@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL304

@attribute molecule_id {CHEMBL100191,CHEMBL100652,CHEMBL100773,CHEMBL100774,CHEMBL101055,CHEMBL101056,CHEMBL101173,CHEMBL101431,CHEMBL10161,CHEMBL101641,CHEMBL101819,CHEMBL101899,CHEMBL102279,CHEMBL102319,CHEMBL102327,CHEMBL102482,CHEMBL102483,CHEMBL102614,CHEMBL102861,CHEMBL103144,CHEMBL103191,CHEMBL103195,CHEMBL103208,CHEMBL103223,CHEMBL103227,CHEMBL103228,CHEMBL103262,CHEMBL103290,CHEMBL103291,CHEMBL103297,CHEMBL103523,CHEMBL103688,CHEMBL103739,CHEMBL103805,CHEMBL103829,CHEMBL103865,CHEMBL103867,CHEMBL105089,CHEMBL105693,CHEMBL105845,CHEMBL105921,CHEMBL106024,CHEMBL106025,CHEMBL107705,CHEMBL108465,CHEMBL108469,CHEMBL108598,CHEMBL108886,CHEMBL11,CHEMBL110530,CHEMBL111184,CHEMBL1118,CHEMBL111928,CHEMBL112528,CHEMBL112825,CHEMBL113144,CHEMBL113195,CHEMBL113238,CHEMBL114547,CHEMBL114837,CHEMBL115253,CHEMBL115697,CHEMBL115710,CHEMBL1159861,CHEMBL1159865,CHEMBL1159866,CHEMBL1159870,CHEMBL116195,CHEMBL116369,CHEMBL116374,CHEMBL116431,CHEMBL117047,CHEMBL117735,CHEMBL117826,CHEMBL118033,CHEMBL118261,CHEMBL118500,CHEMBL118530,CHEMBL118725,CHEMBL118752,CHEMBL118853,CHEMBL118968,CHEMBL119013,CHEMBL119137,CHEMBL119477,CHEMBL119528,CHEMBL119634,CHEMBL119664,CHEMBL119706,CHEMBL1203942,CHEMBL120490,CHEMBL120901,CHEMBL123058,CHEMBL1237326,CHEMBL1237328,CHEMBL1237336,CHEMBL1237338,CHEMBL1237344,CHEMBL125400,CHEMBL125524,CHEMBL125574,CHEMBL125678,CHEMBL125974,CHEMBL126229,CHEMBL126261,CHEMBL126271,CHEMBL126336,CHEMBL126410,CHEMBL126503,CHEMBL126538,CHEMBL126610,CHEMBL126660,CHEMBL126682,CHEMBL126751,CHEMBL126772,CHEMBL126848,CHEMBL126887,CHEMBL127011,CHEMBL127026,CHEMBL127040,CHEMBL127146,CHEMBL127260,CHEMBL127323,CHEMBL127447,CHEMBL127457,CHEMBL127472,CHEMBL127479,CHEMBL127533,CHEMBL127546,CHEMBL127557,CHEMBL127561,CHEMBL127623,CHEMBL127646,CHEMBL127700,CHEMBL127908,CHEMBL127981,CHEMBL128186,CHEMBL129608,CHEMBL129662,CHEMBL130521,CHEMBL130531,CHEMBL130653,CHEMBL130750,CHEMBL131354,CHEMBL131383,CHEMBL131384,CHEMBL131662,CHEMBL132012,CHEMBL132149,CHEMBL132329,CHEMBL132499,CHEMBL132513,CHEMBL13425,CHEMBL1373,CHEMBL137884,CHEMBL14144,CHEMBL14370,CHEMBL14391,CHEMBL145534,CHEMBL145732,CHEMBL14613,CHEMBL149641,CHEMBL149801,CHEMBL149971,CHEMBL150084,CHEMBL150932,CHEMBL152141,CHEMBL152254,CHEMBL152935,CHEMBL153036,CHEMBL153093,CHEMBL153121,CHEMBL153200,CHEMBL153361,CHEMBL153602,CHEMBL157757,CHEMBL158111,CHEMBL158427,CHEMBL158832,CHEMBL159128,CHEMBL159184,CHEMBL160488,CHEMBL160559,CHEMBL160812,CHEMBL160897,CHEMBL161618,CHEMBL1628258,CHEMBL164118,CHEMBL1643896,CHEMBL165467,CHEMBL165529,CHEMBL165645,CHEMBL166226,CHEMBL166448,CHEMBL166501,CHEMBL166648,CHEMBL166683,CHEMBL166690,CHEMBL166748,CHEMBL166852,CHEMBL167394,CHEMBL167437,CHEMBL167493,CHEMBL167515,CHEMBL167578,CHEMBL167644,CHEMBL167649,CHEMBL167665,CHEMBL167749,CHEMBL167795,CHEMBL168000,CHEMBL168022,CHEMBL168063,CHEMBL168153,CHEMBL168168,CHEMBL168201,CHEMBL168205,CHEMBL1692,CHEMBL1696,CHEMBL1709,CHEMBL171474,CHEMBL172809,CHEMBL173834,CHEMBL1743765,CHEMBL1743767,CHEMBL1743772,CHEMBL1743773,CHEMBL1743775,CHEMBL1743777,CHEMBL1743778,CHEMBL1743781,CHEMBL1743782,CHEMBL1743783,CHEMBL1743784,CHEMBL1743785,CHEMBL1743786,CHEMBL1743790,CHEMBL1743791,CHEMBL1743793,CHEMBL1743794,CHEMBL1743795,CHEMBL1743796,CHEMBL1743798,CHEMBL1743799,CHEMBL1743803,CHEMBL1743805,CHEMBL1743807,CHEMBL1743810,CHEMBL1743811,CHEMBL1743812,CHEMBL1743814,CHEMBL1743817,CHEMBL1743819,CHEMBL1743820,CHEMBL1743821,CHEMBL1743822,CHEMBL1743823,CHEMBL1743824,CHEMBL1743844,CHEMBL1743845,CHEMBL1743846,CHEMBL1743847,CHEMBL1743848,CHEMBL1743849,CHEMBL1743851,CHEMBL1743852,CHEMBL1743853,CHEMBL1743854,CHEMBL1743855,CHEMBL1743856,CHEMBL1743857,CHEMBL1743858,CHEMBL1743859,CHEMBL1743860,CHEMBL1743861,CHEMBL1743862,CHEMBL1743863,CHEMBL1743864,CHEMBL1743865,CHEMBL1743868,CHEMBL1743869,CHEMBL1743870,CHEMBL1743872,CHEMBL1743873,CHEMBL1743874,CHEMBL174854,CHEMBL175338,CHEMBL176506,CHEMBL178773,CHEMBL1788361,CHEMBL1788364,CHEMBL1788365,CHEMBL1788366,CHEMBL1788367,CHEMBL1788368,CHEMBL1788369,CHEMBL1788370,CHEMBL1790051,CHEMBL179498,CHEMBL1794987,CHEMBL1794988,CHEMBL180618,CHEMBL180918,CHEMBL181557,CHEMBL181609,CHEMBL181613,CHEMBL183259,CHEMBL184123,CHEMBL184807,CHEMBL185608,CHEMBL185803,CHEMBL186119,CHEMBL186918,CHEMBL187142,CHEMBL187299,CHEMBL187429,CHEMBL188143,CHEMBL188219,CHEMBL188276,CHEMBL188357,CHEMBL188363,CHEMBL188557,CHEMBL188953,CHEMBL189082,CHEMBL189084,CHEMBL189095,CHEMBL189693,CHEMBL189713,CHEMBL189805,CHEMBL189899,CHEMBL190173,CHEMBL190218,CHEMBL191287,CHEMBL191330,CHEMBL191428,CHEMBL191494,CHEMBL191560,CHEMBL191985,CHEMBL192035,CHEMBL192195,CHEMBL192801,CHEMBL192924,CHEMBL192936,CHEMBL193244,CHEMBL193435,CHEMBL193639,CHEMBL193806,CHEMBL194024,CHEMBL194329,CHEMBL194439,CHEMBL194659,CHEMBL195138,CHEMBL195146,CHEMBL195181,CHEMBL195404,CHEMBL195475,CHEMBL195706,CHEMBL195709,CHEMBL195738,CHEMBL195856,CHEMBL196806,CHEMBL196808,CHEMBL196857,CHEMBL197013,CHEMBL197179,CHEMBL197389,CHEMBL197423,CHEMBL197539,CHEMBL19783,CHEMBL198518,CHEMBL198641,CHEMBL198809,CHEMBL199002,CHEMBL199004,CHEMBL199057,CHEMBL199166,CHEMBL199407,CHEMBL19944,CHEMBL199451,CHEMBL199512,CHEMBL199634,CHEMBL19965,CHEMBL199704,CHEMBL199715,CHEMBL199743,CHEMBL199850,CHEMBL200044,CHEMBL200056,CHEMBL200202,CHEMBL200252,CHEMBL200288,CHEMBL200344,CHEMBL20046,CHEMBL200660,CHEMBL200671,CHEMBL200698,CHEMBL200713,CHEMBL200748,CHEMBL20097,CHEMBL20127,CHEMBL2021528,CHEMBL2021540,CHEMBL203299,CHEMBL20360,CHEMBL20362,CHEMBL20710,CHEMBL20742,CHEMBL2079577,CHEMBL2079583,CHEMBL2079584,CHEMBL2079586,CHEMBL2079591,CHEMBL2079663,CHEMBL2079664,CHEMBL2093878,CHEMBL2093943,CHEMBL2093944,CHEMBL2093945,CHEMBL2094040,CHEMBL2094048,CHEMBL2094049,CHEMBL2094050,CHEMBL2094051,CHEMBL2094052,CHEMBL209603,CHEMBL209651,CHEMBL2096748,CHEMBL2096807,CHEMBL209808,CHEMBL209809,CHEMBL209843,CHEMBL211077,CHEMBL21112,CHEMBL21115,CHEMBL2111541,CHEMBL2111542,CHEMBL2111543,CHEMBL2111544,CHEMBL2111683,CHEMBL2112056,CHEMBL2112057,CHEMBL2112058,CHEMBL2112059,CHEMBL2112060,CHEMBL2112061,CHEMBL2112224,CHEMBL2112225,CHEMBL2112226,CHEMBL2112227,CHEMBL2112228,CHEMBL2112229,CHEMBL2112480,CHEMBL2112481,CHEMBL2112508,CHEMBL2112509,CHEMBL2112510,CHEMBL2112511,CHEMBL2112512,CHEMBL2112513,CHEMBL2112514,CHEMBL2112515,CHEMBL2112516,CHEMBL2112550,CHEMBL2112760,CHEMBL2112762,CHEMBL2112763,CHEMBL2112783,CHEMBL2112784,CHEMBL2112787,CHEMBL2112788,CHEMBL2112789,CHEMBL2112790,CHEMBL2112791,CHEMBL2112860,CHEMBL2112877,CHEMBL2112889,CHEMBL2112890,CHEMBL2112915,CHEMBL2112916,CHEMBL211302,CHEMBL2113044,CHEMBL2113047,CHEMBL2113048,CHEMBL2113049,CHEMBL2113050,CHEMBL2113052,CHEMBL2113053,CHEMBL2113081,CHEMBL2113083,CHEMBL2113279,CHEMBL2113648,CHEMBL2113649,CHEMBL2113650,CHEMBL2114063,CHEMBL2114393,CHEMBL211484,CHEMBL2115093,CHEMBL2115487,CHEMBL211994,CHEMBL21213,CHEMBL21256,CHEMBL21362,CHEMBL213627,CHEMBL213823,CHEMBL213921,CHEMBL214234,CHEMBL214567,CHEMBL214574,CHEMBL2146120,CHEMBL214618,CHEMBL214923,CHEMBL215376,CHEMBL217022,CHEMBL217160,CHEMBL217295,CHEMBL217456,CHEMBL21859,CHEMBL22183,CHEMBL22216,CHEMBL22259,CHEMBL22436,CHEMBL226025,CHEMBL226123,CHEMBL226124,CHEMBL226125,CHEMBL226176,CHEMBL226177,CHEMBL226227,CHEMBL226280,CHEMBL226281,CHEMBL22643,CHEMBL226933,CHEMBL226984,CHEMBL227179,CHEMBL227180,CHEMBL227231,CHEMBL227232,CHEMBL227233,CHEMBL22743,CHEMBL22930,CHEMBL229381,CHEMBL229436,CHEMBL229699,CHEMBL23033,CHEMBL23034,CHEMBL2310865,CHEMBL2310866,CHEMBL2310867,CHEMBL2310868,CHEMBL2310869,CHEMBL2310870,CHEMBL2310871,CHEMBL2310872,CHEMBL2310873,CHEMBL2310874,CHEMBL2310875,CHEMBL2310876,CHEMBL2310877,CHEMBL2310878,CHEMBL2310879,CHEMBL2310880,CHEMBL2310881,CHEMBL2310883,CHEMBL2310884,CHEMBL2310885,CHEMBL2310926,CHEMBL2310927,CHEMBL2310928,CHEMBL2310929,CHEMBL23142,CHEMBL233436,CHEMBL233437,CHEMBL233438,CHEMBL233645,CHEMBL233646,CHEMBL234070,CHEMBL234071,CHEMBL234277,CHEMBL234495,CHEMBL234496,CHEMBL23672,CHEMBL24042,CHEMBL24075,CHEMBL245637,CHEMBL245638,CHEMBL245639,CHEMBL245913,CHEMBL245915,CHEMBL246118,CHEMBL246119,CHEMBL246120,CHEMBL246388,CHEMBL247284,CHEMBL24731,CHEMBL247687,CHEMBL24783,CHEMBL25416,CHEMBL25428,CHEMBL258511,CHEMBL258724,CHEMBL258725,CHEMBL260151,CHEMBL260259,CHEMBL260682,CHEMBL261736,CHEMBL262196,CHEMBL262777,CHEMBL263636,CHEMBL265226,CHEMBL265454,CHEMBL265808,CHEMBL267795,CHEMBL268258,CHEMBL268999,CHEMBL269445,CHEMBL272603,CHEMBL273575,CHEMBL275060,CHEMBL275541,CHEMBL275707,CHEMBL276435,CHEMBL276520,CHEMBL276841,CHEMBL277045,CHEMBL278080,CHEMBL278122,CHEMBL278165,CHEMBL278572,CHEMBL278809,CHEMBL278816,CHEMBL279480,CHEMBL279657,CHEMBL280518,CHEMBL280619,CHEMBL280749,CHEMBL281388,CHEMBL281594,CHEMBL28225,CHEMBL283154,CHEMBL284002,CHEMBL284004,CHEMBL284096,CHEMBL284367,CHEMBL284981,CHEMBL284994,CHEMBL285039,CHEMBL285277,CHEMBL285385,CHEMBL285403,CHEMBL285902,CHEMBL286179,CHEMBL286312,CHEMBL286455,CHEMBL286849,CHEMBL287064,CHEMBL287257,CHEMBL287474,CHEMBL287499,CHEMBL287859,CHEMBL287940,CHEMBL288128,CHEMBL288594,CHEMBL288784,CHEMBL289028,CHEMBL289849,CHEMBL289900,CHEMBL289914,CHEMBL290359,CHEMBL290412,CHEMBL290573,CHEMBL290662,CHEMBL290799,CHEMBL291321,CHEMBL291494,CHEMBL292129,CHEMBL292394,CHEMBL292469,CHEMBL292803,CHEMBL293438,CHEMBL293524,CHEMBL293540,CHEMBL293574,CHEMBL294105,CHEMBL294117,CHEMBL294259,CHEMBL294356,CHEMBL294365,CHEMBL294372,CHEMBL294376,CHEMBL294429,CHEMBL294552,CHEMBL294733,CHEMBL295463,CHEMBL295467,CHEMBL295880,CHEMBL295882,CHEMBL296019,CHEMBL296043,CHEMBL296394,CHEMBL296602,CHEMBL296722,CHEMBL296907,CHEMBL296994,CHEMBL297102,CHEMBL297166,CHEMBL297507,CHEMBL298154,CHEMBL298420,CHEMBL298577,CHEMBL298580,CHEMBL298674,CHEMBL298685,CHEMBL298703,CHEMBL298815,CHEMBL299019,CHEMBL299147,CHEMBL299233,CHEMBL299635,CHEMBL299771,CHEMBL299901,CHEMBL300019,CHEMBL300069,CHEMBL300146,CHEMBL300155,CHEMBL300185,CHEMBL300220,CHEMBL300226,CHEMBL300315,CHEMBL300511,CHEMBL300548,CHEMBL300787,CHEMBL300818,CHEMBL301020,CHEMBL301094,CHEMBL301174,CHEMBL301199,CHEMBL301275,CHEMBL301281,CHEMBL301514,CHEMBL301562,CHEMBL301782,CHEMBL301938,CHEMBL301958,CHEMBL30275,CHEMBL303232,CHEMBL303243,CHEMBL30344,CHEMBL303494,CHEMBL303592,CHEMBL303991,CHEMBL304656,CHEMBL304678,CHEMBL305905,CHEMBL306208,CHEMBL306700,CHEMBL307744,CHEMBL309635,CHEMBL310131,CHEMBL310310,CHEMBL310573,CHEMBL31059,CHEMBL310650,CHEMBL31081,CHEMBL311144,CHEMBL311177,CHEMBL311347,CHEMBL311450,CHEMBL31171,CHEMBL312037,CHEMBL312977,CHEMBL313038,CHEMBL313068,CHEMBL313179,CHEMBL313411,CHEMBL314361,CHEMBL314424,CHEMBL314433,CHEMBL314464,CHEMBL314465,CHEMBL314666,CHEMBL314726,CHEMBL314878,CHEMBL314919,CHEMBL315166,CHEMBL315697,CHEMBL316244,CHEMBL316341,CHEMBL316528,CHEMBL316585,CHEMBL316634,CHEMBL316749,CHEMBL317111,CHEMBL317284,CHEMBL317362,CHEMBL317444,CHEMBL317757,CHEMBL317904,CHEMBL317905,CHEMBL317909,CHEMBL318235,CHEMBL318755,CHEMBL318961,CHEMBL319052,CHEMBL319076,CHEMBL319142,CHEMBL319805,CHEMBL320627,CHEMBL321454,CHEMBL321780,CHEMBL321806,CHEMBL321940,CHEMBL322067,CHEMBL32209,CHEMBL322385,CHEMBL322400,CHEMBL32270,CHEMBL322856,CHEMBL323399,CHEMBL323577,CHEMBL324031,CHEMBL324270,CHEMBL324518,CHEMBL324896,CHEMBL32497,CHEMBL325203,CHEMBL325404,CHEMBL325562,CHEMBL325826,CHEMBL326416,CHEMBL326706,CHEMBL327055,CHEMBL32720,CHEMBL32726,CHEMBL327329,CHEMBL327346,CHEMBL327432,CHEMBL327908,CHEMBL32797,CHEMBL328114,CHEMBL328210,CHEMBL328415,CHEMBL328488,CHEMBL328584,CHEMBL328597,CHEMBL328992,CHEMBL329517,CHEMBL329553,CHEMBL32958,CHEMBL329923,CHEMBL329948,CHEMBL330021,CHEMBL330680,CHEMBL330883,CHEMBL331321,CHEMBL331425,CHEMBL331565,CHEMBL331639,CHEMBL331780,CHEMBL331787,CHEMBL332175,CHEMBL332454,CHEMBL33246,CHEMBL33280,CHEMBL333011,CHEMBL33364,CHEMBL333912,CHEMBL334027,CHEMBL334546,CHEMBL334877,CHEMBL335001,CHEMBL336190,CHEMBL337507,CHEMBL33769,CHEMBL337702,CHEMBL337980,CHEMBL338093,CHEMBL338220,CHEMBL338584,CHEMBL338995,CHEMBL33903,CHEMBL339130,CHEMBL339149,CHEMBL339763,CHEMBL339809,CHEMBL33992,CHEMBL340138,CHEMBL340317,CHEMBL340372,CHEMBL340447,CHEMBL340505,CHEMBL340523,CHEMBL340760,CHEMBL340761,CHEMBL340763,CHEMBL340912,CHEMBL341336,CHEMBL341898,CHEMBL34243,CHEMBL345277,CHEMBL345553,CHEMBL345760,CHEMBL34607,CHEMBL346872,CHEMBL346882,CHEMBL34697,CHEMBL348100,CHEMBL348704,CHEMBL34875,CHEMBL34891,CHEMBL34990,CHEMBL35013,CHEMBL35071,CHEMBL35166,CHEMBL35184,CHEMBL35239,CHEMBL352636,CHEMBL352643,CHEMBL352704,CHEMBL353139,CHEMBL353200,CHEMBL353212,CHEMBL353228,CHEMBL35337,CHEMBL353705,CHEMBL353828,CHEMBL353843,CHEMBL353910,CHEMBL353972,CHEMBL354072,CHEMBL354112,CHEMBL35441,CHEMBL354611,CHEMBL354646,CHEMBL35492,CHEMBL355467,CHEMBL356166,CHEMBL356400,CHEMBL356652,CHEMBL357300,CHEMBL357443,CHEMBL357565,CHEMBL358006,CHEMBL358368,CHEMBL36030,CHEMBL36050,CHEMBL36064,CHEMBL36074,CHEMBL360834,CHEMBL36089,CHEMBL36095,CHEMBL361268,CHEMBL362565,CHEMBL36260,CHEMBL36267,CHEMBL362707,CHEMBL363189,CHEMBL363581,CHEMBL363738,CHEMBL36419,CHEMBL364217,CHEMBL364270,CHEMBL364469,CHEMBL364536,CHEMBL364561,CHEMBL365227,CHEMBL36546,CHEMBL365519,CHEMBL365623,CHEMBL365649,CHEMBL365738,CHEMBL36591,CHEMBL366159,CHEMBL366164,CHEMBL366383,CHEMBL366993,CHEMBL36714,CHEMBL36720,CHEMBL367744,CHEMBL368088,CHEMBL368137,CHEMBL36864,CHEMBL36865,CHEMBL369098,CHEMBL36918,CHEMBL369406,CHEMBL369497,CHEMBL36958,CHEMBL37011,CHEMBL37018,CHEMBL370401,CHEMBL37065,CHEMBL37068,CHEMBL370830,CHEMBL37121,CHEMBL371338,CHEMBL371344,CHEMBL371349,CHEMBL371352,CHEMBL371416,CHEMBL37144,CHEMBL371580,CHEMBL371607,CHEMBL37164,CHEMBL371679,CHEMBL371816,CHEMBL372121,CHEMBL37216,CHEMBL372380,CHEMBL372584,CHEMBL372709,CHEMBL372975,CHEMBL37298,CHEMBL373108,CHEMBL37311,CHEMBL373127,CHEMBL376113,CHEMBL377129,CHEMBL37714,CHEMBL37744,CHEMBL37791,CHEMBL378437,CHEMBL37878,CHEMBL379706,CHEMBL379716,CHEMBL38036,CHEMBL381196,CHEMBL38120,CHEMBL381249,CHEMBL381418,CHEMBL382547,CHEMBL382943,CHEMBL383360,CHEMBL38340,CHEMBL383572,CHEMBL383585,CHEMBL38369,CHEMBL384104,CHEMBL384482,CHEMBL385645,CHEMBL386064,CHEMBL386244,CHEMBL388612,CHEMBL388656,CHEMBL388657,CHEMBL388759,CHEMBL388760,CHEMBL388832,CHEMBL389597,CHEMBL390742,CHEMBL390743,CHEMBL39259,CHEMBL39262,CHEMBL393236,CHEMBL39340,CHEMBL39354,CHEMBL39405,CHEMBL394320,CHEMBL394965,CHEMBL395047,CHEMBL39589,CHEMBL39591,CHEMBL396328,CHEMBL397472,CHEMBL39764,CHEMBL39856,CHEMBL40196,CHEMBL40607,CHEMBL407509,CHEMBL408192,CHEMBL408950,CHEMBL409881,CHEMBL41,CHEMBL410244,CHEMBL411433,CHEMBL411947,CHEMBL412263,CHEMBL412308,CHEMBL413927,CHEMBL415,CHEMBL41558,CHEMBL416409,CHEMBL416777,CHEMBL416865,CHEMBL416959,CHEMBL417527,CHEMBL417704,CHEMBL417705,CHEMBL417960,CHEMBL418038,CHEMBL418190,CHEMBL418463,CHEMBL418494,CHEMBL419316,CHEMBL419324,CHEMBL419533,CHEMBL41995,CHEMBL42,CHEMBL420343,CHEMBL420644,CHEMBL421651,CHEMBL42203,CHEMBL423692,CHEMBL424005,CHEMBL424557,CHEMBL424849,CHEMBL42553,CHEMBL425743,CHEMBL42689,CHEMBL428112,CHEMBL428704,CHEMBL429065,CHEMBL429658,CHEMBL429771,CHEMBL429772,CHEMBL430481,CHEMBL430504,CHEMBL430561,CHEMBL430977,CHEMBL431166,CHEMBL431299,CHEMBL431844,CHEMBL431898,CHEMBL432029,CHEMBL432034,CHEMBL432060,CHEMBL432878,CHEMBL433159,CHEMBL433340,CHEMBL433560,CHEMBL433733,CHEMBL43386,CHEMBL434767,CHEMBL434780,CHEMBL435287,CHEMBL435301,CHEMBL436084,CHEMBL436132,CHEMBL436211,CHEMBL436234,CHEMBL43713,CHEMBL439030,CHEMBL440191,CHEMBL440332,CHEMBL44046,CHEMBL44070,CHEMBL441022,CHEMBL441608,CHEMBL442763,CHEMBL443281,CHEMBL445072,CHEMBL446357,CHEMBL446451,CHEMBL446651,CHEMBL447828,CHEMBL44864,CHEMBL44922,CHEMBL45111,CHEMBL46413,CHEMBL46536,CHEMBL46773,CHEMBL47068,CHEMBL47188,CHEMBL48892,CHEMBL490,CHEMBL49736,CHEMBL50157,CHEMBL50264,CHEMBL50309,CHEMBL50578,CHEMBL50635,CHEMBL50675,CHEMBL50735,CHEMBL50858,CHEMBL50886,CHEMBL50901,CHEMBL50997,CHEMBL51063,CHEMBL51154,CHEMBL51224,CHEMBL51355,CHEMBL51454,CHEMBL51617,CHEMBL51697,CHEMBL51771,CHEMBL51934,CHEMBL51993,CHEMBL52181,CHEMBL52247,CHEMBL52324,CHEMBL52334,CHEMBL52392,CHEMBL52904,CHEMBL52967,CHEMBL53182,CHEMBL53239,CHEMBL53240,CHEMBL534501,CHEMBL53598,CHEMBL53635,CHEMBL53666,CHEMBL536747,CHEMBL536947,CHEMBL536952,CHEMBL536977,CHEMBL53715,CHEMBL537206,CHEMBL537398,CHEMBL537429,CHEMBL537652,CHEMBL537873,CHEMBL537874,CHEMBL537875,CHEMBL537994,CHEMBL537996,CHEMBL538053,CHEMBL538234,CHEMBL53830,CHEMBL538310,CHEMBL53837,CHEMBL539050,CHEMBL539054,CHEMBL539064,CHEMBL539081,CHEMBL539254,CHEMBL539564,CHEMBL53973,CHEMBL539821,CHEMBL539829,CHEMBL540083,CHEMBL540333,CHEMBL540617,CHEMBL540625,CHEMBL541124,CHEMBL541134,CHEMBL541549,CHEMBL541602,CHEMBL541605,CHEMBL541612,CHEMBL54177,CHEMBL54186,CHEMBL541895,CHEMBL541896,CHEMBL541897,CHEMBL542117,CHEMBL542121,CHEMBL542275,CHEMBL542500,CHEMBL542501,CHEMBL542521,CHEMBL542746,CHEMBL542850,CHEMBL543231,CHEMBL543320,CHEMBL543324,CHEMBL543372,CHEMBL543449,CHEMBL543688,CHEMBL543876,CHEMBL543925,CHEMBL543980,CHEMBL544177,CHEMBL544209,CHEMBL544216,CHEMBL544263,CHEMBL544266,CHEMBL544288,CHEMBL544500,CHEMBL544633,CHEMBL544721,CHEMBL544880,CHEMBL544971,CHEMBL545109,CHEMBL545201,CHEMBL545342,CHEMBL545435,CHEMBL545557,CHEMBL545559,CHEMBL545574,CHEMBL545671,CHEMBL549,CHEMBL552808,CHEMBL552891,CHEMBL553384,CHEMBL553385,CHEMBL553590,CHEMBL553648,CHEMBL553692,CHEMBL553714,CHEMBL553957,CHEMBL554033,CHEMBL554433,CHEMBL554565,CHEMBL554610,CHEMBL554756,CHEMBL555180,CHEMBL555280,CHEMBL555329,CHEMBL555549,CHEMBL555597,CHEMBL556025,CHEMBL556365,CHEMBL556366,CHEMBL556545,CHEMBL557356,CHEMBL557413,CHEMBL557585,CHEMBL557821,CHEMBL557823,CHEMBL558182,CHEMBL558387,CHEMBL558394,CHEMBL558395,CHEMBL558789,CHEMBL558823,CHEMBL559186,CHEMBL559215,CHEMBL56,CHEMBL56495,CHEMBL57260,CHEMBL57281,CHEMBL57320,CHEMBL57596,CHEMBL57934,CHEMBL58195,CHEMBL58253,CHEMBL58280,CHEMBL58307,CHEMBL58308,CHEMBL58318,CHEMBL58392,CHEMBL58414,CHEMBL58485,CHEMBL58858,CHEMBL58942,CHEMBL58960,CHEMBL59047,CHEMBL59221,CHEMBL59545,CHEMBL59609,CHEMBL59877,CHEMBL59897,CHEMBL59955,CHEMBL60167,CHEMBL60251,CHEMBL60540,CHEMBL606825,CHEMBL606826,CHEMBL606828,CHEMBL606877,CHEMBL606881,CHEMBL606927,CHEMBL606995,CHEMBL606996,CHEMBL606997,CHEMBL606998,CHEMBL607050,CHEMBL607051,CHEMBL607052,CHEMBL607053,CHEMBL607054,CHEMBL607099,CHEMBL60915,CHEMBL610894,CHEMBL610897,CHEMBL610899,CHEMBL611177,CHEMBL611178,CHEMBL611179,CHEMBL611180,CHEMBL611181,CHEMBL611424,CHEMBL611426,CHEMBL611427,CHEMBL612232,CHEMBL61335,CHEMBL61529,CHEMBL61776,CHEMBL61971,CHEMBL623,CHEMBL629,CHEMBL63196,CHEMBL6330,CHEMBL63346,CHEMBL6368,CHEMBL637,CHEMBL6376,CHEMBL6391,CHEMBL64007,CHEMBL641,CHEMBL6437,CHEMBL64625,CHEMBL64630,CHEMBL64665,CHEMBL6467,CHEMBL64757,CHEMBL64965,CHEMBL65157,CHEMBL65209,CHEMBL65346,CHEMBL654,CHEMBL65762,CHEMBL65819,CHEMBL65878,CHEMBL65917,CHEMBL66068,CHEMBL6731,CHEMBL67387,CHEMBL6842,CHEMBL70887,CHEMBL715,CHEMBL72,CHEMBL73461,CHEMBL77340,CHEMBL78048,CHEMBL781,CHEMBL80262,CHEMBL80515,CHEMBL809,CHEMBL811,CHEMBL814,CHEMBL81525,CHEMBL82027,CHEMBL82093,CHEMBL827,CHEMBL82807,CHEMBL82946,CHEMBL83296,CHEMBL83729,CHEMBL84244,CHEMBL84584,CHEMBL84680,CHEMBL84899,CHEMBL84971,CHEMBL85,CHEMBL85256,CHEMBL85492,CHEMBL85877,CHEMBL86165,CHEMBL86260,CHEMBL86830,CHEMBL87031,CHEMBL87360,CHEMBL87616,CHEMBL87678,CHEMBL87739,CHEMBL87841,CHEMBL87983,CHEMBL88301,CHEMBL89012,CHEMBL89142,CHEMBL89752,CHEMBL904,CHEMBL90997,CHEMBL91157,CHEMBL91574,CHEMBL91872,CHEMBL92072,CHEMBL92610,CHEMBL92686,CHEMBL92860,CHEMBL92880,CHEMBL93011,CHEMBL93211,CHEMBL93413,CHEMBL93433,CHEMBL93435,CHEMBL93721,CHEMBL94108,CHEMBL95,CHEMBL95775,CHEMBL96070,CHEMBL96691,CHEMBL97887,CHEMBL98279,CHEMBL98660,CHEMBL98842,CHEMBL98894,CHEMBL99038,CHEMBL99175,CHEMBL99503,CHEMBL99653,CHEMBL99670}
@attribute SpMin4_Bh.m. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.i. numeric
@attribute D.Dtr07 numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.p. numeric
@attribute VvdwZAZ numeric
@attribute SpMax3_Bh.v. numeric
@attribute ON0 numeric
@attribute S3K numeric
@attribute X1Per numeric
@attribute X0 numeric
@attribute Eig09_AEA.bo. numeric
@attribute Sv numeric
@attribute Uindex numeric
@attribute ATS1i numeric
@attribute SpMax3_Bh.p. numeric
@attribute ATS1e numeric
@attribute SpMax2_Bh.e. numeric
@attribute Psi_i_0 numeric
@attribute Eta_epsi numeric
@attribute Eig12_AEA.ed. numeric
@attribute ATS2e numeric
@attribute Eig05_EA.ri. numeric
@attribute CIC5 numeric
@attribute BIC5 numeric
@attribute Eig13_EA.bo. numeric
@attribute SMTI numeric
@attribute ISIZ numeric
@attribute nAT numeric
@attribute LPRS numeric
@attribute ATS1s numeric
@attribute Eig05_AEA.ri. numeric
@attribute SpMax7_Bh.i. numeric
@attribute ATS4i numeric
@attribute IDET numeric
@attribute S2K numeric
@attribute IDM numeric
@attribute SpMin8_Bh.p. numeric
@attribute nBT numeric
@attribute X1Mad numeric
@attribute IVDM numeric
@attribute IDDM numeric
@attribute nSK numeric
@attribute HDcpx numeric
@attribute Sp numeric
@attribute Xu numeric
@attribute IDMT numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax6_Bh.v. numeric
@attribute ON1 numeric
@attribute ATS2i numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute Eig15_AEA.ri. numeric
@attribute SpMax6_Bh.e. numeric
@attribute Eig05_AEA.ed. numeric
@attribute GMTI numeric
@attribute Eig14_AEA.ri. numeric
@attribute MSD numeric
@attribute TIC4 numeric
@attribute S1K numeric
@attribute Eta_betaS numeric
@attribute SpMin8_Bh.v. 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 ATSC8i numeric
@attribute CENT numeric
@attribute RDCHI numeric
@attribute TIC1 numeric
@attribute UNIP numeric
@attribute ICR numeric
@attribute CSI numeric
@attribute ATS2s numeric
@attribute ATS7e numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute ATS1p numeric
@attribute ECC numeric
@attribute SpMax7_Bh.p. numeric
@attribute GGI7 numeric
@attribute Eig06_EA.ri. numeric
@attribute PHI numeric
@attribute Eig05_EA.ed. numeric
@attribute SM14_AEA.dm. numeric
@attribute SpAD_EA.ri. numeric
@attribute ON1V numeric
@attribute Eig14_EA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute Eig14_EA.bo. numeric
@attribute SM02_AEA.bo. numeric
@attribute D.Dtr06 numeric
@attribute SpMin8_Bh.m. numeric
@attribute Eig11_EA.bo. numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute SM02_EA.ri. numeric
@attribute Chi0_EA.ed. numeric
@attribute MPC01 numeric
@attribute MWC01 numeric
@attribute nBO numeric
@attribute SRW02 numeric
@attribute P_VSA_m_2 numeric
@attribute MDDD numeric
@attribute Psi_i_t numeric
@attribute Eig04_EA.bo. numeric
@attribute SM14_AEA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute ATSC1i numeric
@attribute SpMax7_Bh.v. numeric
@attribute BBI numeric
@attribute MPC02 numeric
@attribute SM02_EA numeric
@attribute Eig14_EA numeric
@attribute SM08_AEA.dm. numeric
@attribute TIC3 numeric
@attribute CATS2D_02_AL numeric
@attribute ATS4s numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig03_EA.bo. numeric
@attribute SM13_AEA.ri. numeric
@attribute Chi1_EA.ed. numeric
@attribute Eig11_EA.ed. numeric
@attribute pXC50 numeric

@data
{1 1.813,2 0.886,3 1.53,4 1.801,5 3.624,6 3.009,7 2.673,8 1.784,9 1.443,10 92.17,11 3.706,12 2.874,13 2.677,14 314.42,15 3.43,16 13.333,17 4.713,18 6.57,19 17.088,20 2.008,21 28.261,22 44.935,23 4.084,24 3.428,25 3.951,26 3.831,27 16.338,28 28.41,29 2.445,30 4.584,31 1.707,32 1.271,33 0.758,34 -0.984,35 4764,36 275.121,37 49,38 105.719,39 4.957,40 2.724,41 3.018,42 5.427,43 807.853,44 7.233,45 7.773,46 1.09,47 50,48 10.25,49 4.397,50 4.494,51 23,52 1.664,53 29.932,54 22.1,55 9047.96,56 2.92,57 3.011,58 4.944,59 4.788,60 1.745,61 1.745,62 1.873,63 0.162,64 -0.1,65 3.244,66 4.583,67 4577,69 5.204,70 212.856,71 18.289,72 13.75,73 1.153,74 11.828,75 11.828,76 11.828,77 11.828,78 11.828,79 1.398,80 764,81 3.255,82 142.617,83 68,84 2.455,85 375,86 6.03,87 5.063,88 0.189,89 3.433,90 186,91 2.735,92 0.556,93 1.461,94 5.751,95 4.714,96 4.714,97 33.892,98 3.109,99 -2.554,100 -2.554,101 -1,102 4.63,103 80.721,104 1.181,105 -0.445,106 4.83,107 5.146,108 4.153,109 8.471,110 3.219,111 3.219,112 24,113 3.892,114 89.266,115 17.811,117 2.233,118 2.233,119 0.878,120 0.51,121 0.865,122 2.715,123 35,124 3.584,125 4.263,126 -1,127 -1,128 200.856,129 1,130 6.145,131 0.574,132 -0.38,133 3.005,134 3.005,135 3.982,136 -0.994,137 5.62}
{0 CHEMBL100652,1 1.86,2 0.934,3 1.613,4 1.803,5 3.821,6 3.009,7 2.715,8 1.77,9 1.555,10 79.765,11 3.863,12 2.874,13 2.735,14 333.42,15 3.704,16 13.25,17 3.072,18 7.324,19 17.767,20 2.462,21 31.434,22 35.596,23 4.154,24 3.706,25 4.029,26 3.883,27 18.583,28 27.852,29 3.243,30 4.645,31 1.97,32 1.001,33 0.794,34 -0.137,35 6110,36 296.423,37 52,38 117.238,39 4.961,40 3.143,41 3.088,42 5.466,43 960.281,44 6.226,45 8.022,46 1.239,47 55,48 11.243,49 4.543,50 4.613,51 25,52 1.688,53 34.222,54 23.508,55 11143.1,56 3.017,57 2.877,58 5.167,59 4.837,60 2.235,61 2.235,62 1.855,63 0.141,65 3.136,66 5.177,67 6310,68 0.513,69 5.223,70 244.384,71 17.268,72 15.75,73 1.308,74 13.801,75 13.801,76 13.801,77 13.801,78 13.801,79 1.355,80 928,81 3.528,82 161.586,83 74,84 2.419,85 461,86 5.454,87 4.907,88 0.161,89 3.604,90 213,91 2.871,92 0.695,93 1.884,94 4.3,95 6.107,96 6.107,97 41.999,98 3.334,99 -0.835,100 -0.835,101 -0.409,102 4.858,103 137.631,104 1.417,105 1.002,106 4.876,107 5.148,108 4.407,109 9.142,110 3.367,111 3.367,112 28,113 4.043,114 127.469,115 18.864,117 2.921,118 2.921,119 2.149,120 0.708,121 0.721,122 2.855,123 43,124 3.784,125 4.466,126 -0.363,127 -0.363,128 240.384,129 8,130 5.917,131 1.68,132 0.681,133 3.298,134 3.298,135 4.341,136 1.678,137 5.309}
{0 CHEMBL100773,1 1.748,2 0.886,3 1.474,4 1.728,5 3.603,6 2.925,7 2.57,8 1.717,9 1.39,11 3.691,12 2.854,13 2.618,14 279.82,15 3.391,16 12.333,17 3.779,18 5.737,19 15.673,20 1.618,21 25.208,22 39.054,23 3.962,24 3.386,25 3.833,26 3.828,27 14.705,28 25.81,29 2.265,30 4.461,31 1.536,32 1.215,33 0.758,34 -1,35 3762,36 233.329,37 43,38 93.389,39 4.88,40 2.613,41 2.979,42 5.206,43 648.491,44 5.98,45 7.502,46 1.062,47 44,48 9.25,49 4.254,50 4.363,51 21,52 1.637,53 26.41,54 20.396,55 6864.56,56 2.869,57 2.715,58 4.444,59 4.659,60 1.679,61 1.679,62 1.751,63 0.176,64 -0.3,65 2.874,66 4.583,67 3585,68 -0.1,69 4.936,70 181.065,71 16.321,72 12.75,73 1.107,74 10.828,75 10.828,76 10.828,77 10.828,78 10.828,79 1.043,80 570,81 3.101,82 131.088,83 60,84 2.224,85 317,86 5.985,87 4.847,88 0.206,89 3.312,90 157,91 2.671,92 0.445,93 1.318,94 4.648,95 4.715,96 4.715,97 31.718,98 2.609,99 -3,100 -3,101 -1,102 4.57,103 74.97,104 1.092,105 -0.794,106 4.454,107 4.782,108 4.088,109 7.471,110 3.135,111 3.135,112 22,113 3.807,114 84.197,115 15.007,117 2.236,118 2.236,119 0.5,120 0.51,121 0.791,122 2.635,123 33,124 3.526,125 4.205,126 -1,127 -1,128 177.065,129 1,130 5.995,131 0.17,132 -0.7,133 3.013,134 3.013,135 3.482,136 -2,137 4.983}
{0 CHEMBL100774,1 1.748,2 0.886,3 1.473,4 1.727,5 3.596,6 2.925,7 2.57,8 1.715,9 1.39,11 3.685,12 2.854,13 2.618,14 270.4,15 3.379,16 10.583,17 3.355,18 5.602,19 13.88,20 1.576,21 24.773,22 33.363,23 3.969,24 3.376,25 3.835,26 3.807,27 13.992,28 22.733,29 2.194,30 4.43,31 1.394,32 1.188,33 0.765,34 -1,35 2866,36 240.215,37 44,38 80.971,39 4.774,40 2.403,41 2.979,42 5.161,43 510.109,44 6.038,45 7.218,46 1.062,47 45,48 8.715,49 4.146,50 4.216,51 19,52 1.61,53 27.052,54 18.635,55 4973.37,56 2.869,57 2.715,58 4.278,59 4.643,60 1.417,61 1.417,62 1.751,63 0.189,64 -0.618,65 2.874,66 4.201,67 2735,68 -0.1,69 4.535,70 187.95,71 14.512,72 11.5,73 1.107,74 9.781,75 9.781,76 9.781,77 9.781,78 9.781,79 0.567,80 466,81 3.002,82 127.776,83 48,84 2.275,85 283,86 5.253,87 4.807,88 0.226,89 3.316,90 139,91 2.671,92 0.227,93 1,94 4.612,95 3.206,96 3.206,97 28.494,98 2.647,99 -3,100 -3,101 -1.5,102 4.437,103 66.589,104 1.181,105 -0.796,106 4.327,107 4.681,108 3.969,109 7.338,110 3.045,111 3.045,112 20,113 3.714,114 89.378,115 12.349,116 0.002,117 2.173,118 2.173,119 0.5,120 -0.362,121 0.587,122 2.635,123 28,124 3.367,125 4.043,126 -1,127 -1,128 187.95,129 3,130 5.668,131 0.161,132 -0.715,133 2.715,134 2.715,135 3.353,136 -2,137 5.237}
{0 CHEMBL101055,1 1.588,2 0.924,3 1.279,4 1.553,5 3.603,6 2.994,7 2.595,8 1.536,9 1.21,11 3.69,12 2.874,13 2.621,14 287.7,15 3.394,16 11.083,17 3.823,18 6.02,19 14.588,20 1.583,21 26.299,22 35.932,23 4.032,24 3.392,25 3.896,26 3.81,27 14.808,28 24.033,29 2.271,30 4.495,31 1.564,32 0.984,33 0.806,34 -1,35 3183,36 261.066,37 47,38 86.417,39 4.817,40 2.574,41 3.009,42 5.27,43 555.133,44 6.705,45 7.389,46 1.179,47 48,48 9.215,49 4.225,50 4.293,51 20,52 1.628,53 28.813,54 19.372,55 5674.4,56 2.913,57 2.91,58 4.528,59 4.711,60 1.584,61 1.584,62 1.82,63 0.181,64 -0.1,65 3.111,66 4.173,67 3045,68 -0.049,69 4.493,70 214.801,71 15.492,72 12,73 1.22,74 10.298,75 10.298,76 10.298,77 10.298,78 10.298,79 0.863,80 536,81 3.058,82 133.349,83 50,84 2.171,85 288,86 5.301,87 5.012,88 0.215,89 3.378,90 142,91 2.735,92 0.245,93 1.228,94 5.194,95 3.376,96 3.376,97 29.715,98 2.897,99 -2.508,100 -2.508,101 -1,102 4.472,103 138.857,104 1.293,105 -0.619,106 4.682,107 5.015,108 4.006,109 7.879,110 3.091,111 3.091,112 21,113 3.761,114 91.912,115 12.68,116 0.002,117 2.168,118 2.168,119 0.667,120 -0.244,121 0.625,122 2.72,123 29,124 3.401,125 4.078,126 -1,127 -1,128 209.291,129 3,130 5.765,131 0.422,132 -0.519,133 2.593,134 2.593,135 3.63,136 -1.301,137 6.208}
{0 CHEMBL101056,1 1.812,2 0.886,3 1.529,4 1.801,5 3.613,6 3.009,7 2.715,8 1.784,9 1.441,10 81.072,11 3.696,12 2.874,13 2.735,14 305,15 3.414,16 11.583,17 4.287,18 6.435,19 15.295,20 1.593,21 27.826,22 38.862,23 4.091,24 3.413,25 3.953,26 3.813,27 15.625,28 25.333,29 2.331,30 4.557,31 1.688,32 1.245,33 0.764,34 -0.985,35 3712,36 282.193,37 50,38 92.957,39 4.859,40 2.695,41 3.048,42 5.391,43 646.239,44 7.392,45 7.516,46 1.09,47 51,48 9.715,49 4.3,50 4.36,51 21,52 1.64,53 30.574,54 20.379,55 6749.63,56 2.952,57 2.963,58 4.778,59 4.774,60 1.701,61 1.701,62 1.869,63 0.171,64 -0.1,65 3.219,66 4.191,67 3575,69 4.807,70 219.928,71 16.474,72 12.5,73 1.153,74 10.781,75 10.781,76 10.781,77 10.781,78 10.781,79 0.956,80 620,81 3.157,82 138.644,83 56,84 2.453,85 337,86 5.345,87 5.031,88 0.205,89 3.436,90 166,91 2.764,92 0.337,93 1.247,94 5.799,95 3.534,96 3.534,97 30.669,98 3.147,99 -2.448,100 -2.448,101 -1,102 4.505,103 72.34,104 1.253,105 -0.445,106 4.744,107 5.077,108 4.042,109 8.338,110 3.135,111 3.135,112 22,113 3.807,114 94.447,115 14.789,116 0.002,117 2.172,118 2.172,119 0.786,120 -0.079,121 0.664,122 2.736,123 30,124 3.434,125 4.111,126 -1,127 -1,128 211.928,129 3,130 5.871,131 0.555,132 -0.42,133 2.708,134 2.708,135 3.853,136 -0.922,137 5.684}
{0 CHEMBL101173,1 1.703,2 0.845,3 1.479,4 1.733,5 3.722,6 2.925,7 2.635,8 1.742,9 1.408,11 3.782,12 2.854,13 2.671,14 290.12,15 3.574,16 10.833,17 3.308,18 6.251,19 14.82,20 1.823,21 26.38,22 31.893,23 3.987,24 3.581,25 3.855,26 3.839,27 15.592,28 23.852,29 2.36,30 4.479,31 1.811,32 0.881,33 0.811,34 -0.825,35 3919,36 240.215,37 44,38 92.976,39 4.763,40 2.877,41 2.936,42 5.131,43 646.307,44 6.472,45 7.512,46 1.055,47 46,48 9.565,49 4.322,50 4.363,51 21,52 1.639,53 28.699,54 20.401,55 6738.07,56 2.869,57 2.715,58 4.611,59 4.685,60 1.906,61 1.906,62 1.751,63 0.161,64 -0.204,65 2.876,66 4.846,67 3990,69 4.809,70 201.46,71 15.017,72 13.5,73 1.105,74 11.332,75 11.332,76 11.332,77 11.332,78 11.332,79 0.891,80 576,81 3.282,82 128.749,83 58,84 2.453,85 350,86 5.309,87 4.727,88 0.187,89 3.408,90 164,91 2.735,92 0.224,93 1.304,94 4.628,95 5.285,96 5.285,97 32.69,98 2.894,99 -2.839,100 -2.839,101 -1.211,102 4.59,103 130.771,104 1.168,105 0.031,106 4.622,107 4.938,108 4.092,109 8.338,110 3.178,111 3.178,112 23,113 3.85,114 79.967,115 14.014,116 0.001,117 2.408,118 2.408,119 1.237,120 0.559,121 0.624,122 2.712,123 32,124 3.497,125 4.174,126 -1,127 -1,128 201.46,129 6,130 5.759,131 0.967,132 0.023,133 2.84,134 2.84,135 3.964,136 0.062,137 5.698}
{0 CHEMBL101431,1 1.597,2 0.768,3 1.272,4 1.542,5 3.553,6 2.868,7 2.459,8 1.507,9 1.19,11 3.58,12 2.759,13 2.483,14 265.67,15 3.322,16 10.5,17 4.033,18 5.234,19 13.828,20 1.225,21 23.547,22 33.439,23 3.846,24 3.292,25 3.727,26 3.761,27 13.677,28 21.919,29 2,30 4.318,31 1.686,32 0.654,33 0.848,34 -1.263,35 3010,36 206.131,37 39,38 81.902,39 4.72,40 2.763,41 2.913,42 4.993,43 527.611,44 6.509,45 7.206,46 1.042,47 40,48 8.423,49 4.159,50 4.215,51 19,52 1.608,53 25.387,54 18.857,55 5216.9,56 2.854,57 2.715,58 4.222,59 4.511,60 1.802,61 1.802,62 1.737,63 0.185,64 -0.413,65 2.854,66 4.601,67 2892,68 -0.22,69 4.794,70 180.621,71 14.512,72 11.75,73 1.082,74 9.864,75 9.864,76 9.864,77 9.864,78 9.864,79 0.518,80 460,81 3.077,82 124.131,83 52,84 2.465,85 298,86 5.294,87 4.389,88 0.21,89 3.262,90 147,91 2.73,92 0.255,93 1.208,94 4.972,95 4.877,96 4.877,97 27.674,98 2.352,99 -3,100 -3,101 -1.5,102 4.449,103 122.093,104 1.127,105 -0.638,106 4.169,107 4.399,108 3.909,109 7.427,110 3.045,111 3.045,112 20,113 3.714,114 83.467,115 13.612,116 0.001,117 2.467,118 2.467,119 0.541,120 -0.022,121 0.515,122 2.7,123 27,124 3.332,125 4.007,126 -1.131,127 -1.131,128 180.621,129 5,130 5.478,131 0.314,132 -0.585,133 2.71,134 2.71,135 3.562,136 -1.713,137 6.629}
{0 CHEMBL10161,1 1.821,2 1.012,3 1.675,4 1.835,5 3.824,6 3.141,7 2.899,8 1.838,9 1.635,11 3.854,12 3.087,13 2.873,14 407.95,15 3.727,16 16.167,17 4.695,18 8.935,19 22.786,20 2.795,21 38.159,22 48.114,23 4.305,24 3.714,25 4.188,26 3.95,27 23.665,28 35.119,29 3.484,30 4.744,31 2.271,32 0.657,33 0.843,34 1.307,35 16143,36 347.076,37 59,38 177.282,39 5.256,40 3.382,41 3.206,42 5.299,43 2056.81,44 9.678,45 8.765,46 1.301,47 63,48 15.175,49 4.989,50 5.017,51 33,52 1.749,53 40.171,54 31.069,55 31730.4,56 3.111,57 3.086,58 7.194,59 4.924,60 2.443,61 2.443,62 1.909,63 0.117,64 1.833,65 3.277,66 5.339,67 17508,68 1.967,69 8.033,70 308.321,71 22.146,72 22,73 1.285,74 18.27,75 18.27,76 18.27,77 18.27,78 18.27,79 1.423,80 1960,81 4.491,82 203.021,83 160,84 3.07,85 993,86 5.745,87 4.964,88 0.126,89 3.737,90 447,91 2.941,92 0.371,93 1.935,94 6.495,95 6.958,96 6.958,97 53.344,98 3.722,99 2.136,100 2.136,101 1.14,102 5.131,103 418.024,104 1.279,105 1.528,106 4.873,107 5.121,108 4.576,109 13.368,110 3.638,111 3.638,112 37,113 4.317,114 183.086,115 36.127,117 2.928,118 2.928,119 2.529,120 1.255,121 0.888,122 2.91,123 52,124 3.97,125 4.654,126 1,127 1,128 302.321,129 10,130 6.101,131 2.144,132 1.13,133 3.627,134 3.627,135 6.353,136 2.606,137 6.886}
{0 CHEMBL101641,1 1.628,2 0.846,3 1.334,4 1.607,5 3.628,6 2.909,7 2.69,8 1.595,9 1.265,11 3.695,12 2.846,13 2.717,14 293.97,15 3.389,16 11.5,17 4.784,18 5.927,19 15.242,20 1.675,21 26.095,22 39.097,23 3.977,24 3.372,25 3.847,26 3.762,27 15.126,28 24.619,29 2,30 4.436,31 1.698,32 0.625,33 0.861,34 -0.778,35 4069,36 240.215,37 44,38 94.932,39 4.83,40 2.784,41 2.925,42 5.095,43 688.234,44 7.899,45 7.49,46 1.062,47 45,48 9.402,49 4.311,50 4.358,51 21,52 1.635,53 28.154,54 20.814,55 7399.77,56 2.854,57 2.868,58 4.806,59 4.639,60 1.835,61 1.835,62 1.829,63 0.168,64 -0.202,65 3.104,66 4.765,67 3930,69 5.362,70 212.705,71 16.436,72 13.25,73 1.107,74 10.813,75 10.813,76 10.813,77 10.813,78 10.813,79 0.755,80 632,81 3.293,82 144.401,83 64,84 2.661,85 386,86 5.414,87 4.531,88 0.191,89 3.344,90 190,91 2.735,92 0.302,93 1.213,94 6.182,95 5.152,96 5.152,97 29.818,98 2.79,99 -2.941,100 -2.941,101 -1.183,102 4.516,103 138.981,104 1.181,105 -0.458,106 4.459,107 4.706,108 3.968,109 8.495,110 3.135,111 3.135,112 22,113 3.807,114 103.154,115 17.156,116 0.001,117 2.473,118 2.473,119 0.763,120 0.228,121 0.601,122 2.715,123 29,124 3.401,125 4.078,126 -1,127 -1,128 212.705,129 3,130 5.671,131 0.464,132 -0.301,133 2.818,134 2.818,135 3.978,136 -0.841,137 7}
{0 CHEMBL101819,1 1.599,2 0.934,3 1.293,4 1.566,5 3.607,6 3.009,7 2.672,8 1.548,9 1.226,11 3.692,12 2.885,13 2.694,14 313.79,15 3.398,16 12.417,17 4.091,18 6.406,19 16.165,20 1.786,21 28.541,22 41.748,23 4.114,24 3.394,25 3.984,26 3.818,27 16.117,28 26.8,29 2.392,30 4.583,31 1.57,32 1.118,33 0.788,34 -0.852,35 4114,36 289.294,37 51,38 98.869,39 4.936,40 2.579,41 3.206,42 5.328,43 709.611,44 7.557,45 7.661,46 1.239,47 52,48 10.016,49 4.355,50 4.43,51 22,52 1.655,53 31.029,54 21.115,55 7699.08,56 3.111,57 2.916,58 5.056,59 4.795,60 1.612,61 1.612,62 1.823,63 0.172,65 3.16,66 4.384,67 3927,68 0.015,69 4.866,70 230.274,71 17.419,72 13.5,73 1.308,74 11.197,75 11.197,76 11.197,77 11.197,78 11.197,79 1.007,80 668,81 3.193,82 144.078,83 61,84 2.379,85 349,86 5.41,87 5.115,88 0.197,89 3.433,90 173,91 2.917,92 0.401,93 1.461,94 5.984,95 4.138,96 4.138,97 32.084,98 3.057,99 -2,100 -2,101 -1,102 4.559,103 156.757,104 1.417,105 -0.331,106 4.837,107 5.131,108 4.085,109 8.55,110 3.178,111 3.178,112 23,113 3.85,114 98.563,115 15.521,116 0.001,117 2.174,118 2.174,119 0.8,120 0.026,121 0.668,122 2.91,123 32,124 3.497,125 4.174,126 -0.925,127 -0.925,128 222.764,129 3,130 5.885,131 0.623,132 -0.312,133 2.775,134 2.775,135 3.824,136 -0.77,137 5.86}
{0 CHEMBL101899,1 1.55,2 0.867,3 1.268,4 1.503,5 3.6,6 2.921,7 2.57,8 1.476,9 1.198,11 3.688,12 2.874,13 2.618,14 276.82,15 3.394,16 10.583,17 3.713,18 5.693,19 13.88,20 0.935,21 24.885,22 33.179,23 3.941,24 3.394,25 3.806,26 3.805,27 14.06,28 22.352,29 2,30 4.408,31 1.528,32 0.965,33 0.803,34 -1,35 2758,36 233.329,37 43,38 80.206,39 4.715,40 2.559,41 2.997,42 5.207,43 481.928,44 6.253,45 7.242,46 1.014,47 44,48 8.526,49 4.146,50 4.221,51 19,52 1.614,53 27.455,54 18.451,55 4779.8,56 2.877,57 2.772,58 4.194,59 4.618,60 1.575,61 1.575,62 1.812,63 0.189,64 -0.459,65 2.921,66 4.144,67 2640,68 -0.1,69 4.276,70 191.82,71 14.83,72 11.25,73 1.058,74 9.871,75 9.871,76 9.871,77 9.871,78 9.871,79 0.579,80 465,81 2.968,82 123.009,83 45,84 2.115,85 246,86 5.226,87 4.885,88 0.226,89 3.35,90 121,91 2.735,92 0.182,93 1.159,94 4.88,95 3.355,96 3.355,97 28.186,98 2.725,99 -2.857,100 -2.857,101 -1.211,102 4.437,103 130.688,104 1.103,105 -0.659,106 4.39,107 4.743,108 3.952,109 7.376,110 3.045,111 3.045,112 20,113 3.714,114 79.287,115 11.341,116 0.002,117 2.16,118 2.16,119 0.661,120 -0.251,121 0.57,122 2.72,123 28,124 3.367,125 4.043,126 -1,127 -1,128 186.31,129 1,130 5.698,131 0.303,132 -0.544,133 2.546,134 2.546,135 3.484,136 -1.654,137 6.796}
{0 CHEMBL102279,1 1.86,2 1.001,3 1.616,4 1.803,5 3.851,6 3.095,7 2.83,8 1.77,9 1.559,10 90.528,11 3.892,12 3.016,13 2.854,14 345,15 3.756,16 13.667,17 3.147,18 8.023,19 19.25,20 2.5,21 33.463,22 37.479,23 4.185,24 3.76,25 4.069,26 3.939,27 20.512,28 29.781,29 3.414,30 4.654,31 2.237,32 0.595,33 0.851,34 1.018,35 8984,36 303.58,37 53,38 138.151,39 5.094,40 3.265,41 3.146,42 5.351,43 1308.87,44 6.951,45 8.332,46 1.3,47 57,48 13.188,49 4.745,50 4.775,51 28,52 1.715,53 35.54,54 26.276,55 16571.7,56 3.066,57 2.92,58 5.944,59 4.825,60 2.297,61 2.297,62 1.893,63 0.125,64 0.87,65 3.136,66 5.159,67 9688,68 1.097,69 6.019,70 272.07,71 17.789,72 17.75,73 1.298,74 15.781,75 15.781,76 15.781,77 15.781,78 15.781,79 1.395,80 1290,81 3.938,82 171.766,83 96,84 2.807,85 662,86 5.59,87 4.868,88 0.139,89 3.665,90 296,91 2.9,92 0.561,93 2.101,94 4.416,95 6.198,96 6.198,97 47.757,98 3.39,99 0.298,100 0.298,101 0.122,102 4.999,103 240.102,104 1.185,105 1.491,106 4.779,107 5.038,108 4.514,109 10.947,110 3.497,111 3.497,112 32,113 4.174,114 159.716,115 25.01,117 3.16,118 3.16,119 2.493,120 1,121 0.799,122 2.878,123 47,124 3.871,125 4.554,126 0.109,127 0.109,128 264.07,129 8,130 5.922,131 2,132 1,133 3.49,134 3.49,135 5.221,136 2.275,137 6.148}
{0 CHEMBL102319,1 1.787,2 1.222,3 1.551,4 1.779,5 3.771,6 3.299,7 3.034,8 1.776,9 1.493,11 3.815,12 3.216,13 3.045,14 403.8,15 3.657,16 14.25,17 4.289,18 9.302,19 20.01,20 2.943,21 37.541,22 39.68,23 4.362,24 3.664,25 4.227,26 3.989,27 22.276,28 33.052,29 3.414,30 4.895,31 2.195,32 1.137,33 0.788,34 0.068,35 10852,36 384,37 64,38 147.492,39 5.043,40 3.202,41 3.304,42 5.748,43 1468.41,44 7.981,45 8.414,46 1.445,47 68,48 13.427,49 4.79,50 4.836,51 29,52 1.719,53 41.268,54 27.537,55 20042.8,56 3.228,57 3.073,58 6.056,59 5.092,60 2.196,61 2.196,62 1.885,63 0.112,64 0.997,65 3.228,66 5.061,67 11889,68 1,69 6.765,70 311.206,71 20.032,72 18.25,73 1.489,74 16.352,75 16.352,76 16.352,77 16.352,78 16.352,79 1.43,80 1284,81 4.12,82 186.793,83 120,84 2.872,85 731,86 5.644,87 5.045,88 0.135,89 3.807,90 323,91 3.096,92 0.37,93 2,94 5.513,95 6.076,96 6.076,97 48.077,98 4.352,102 4.959,103 508.956,104 1.549,105 1.36,106 4.958,107 5.217,108 4.548,109 11.225,110 3.526,111 3.526,112 33,113 4.205,114 105.849,115 23.596,117 2.782,118 2.782,119 2.371,120 1.036,121 0.904,122 3.073,123 49,124 3.912,125 4.595,128 311.206,129 3,130 6.045,131 2,132 1,133 3,134 3,135 5.431,136 2.275,137 6.818}
{0 CHEMBL102327,1 1.571,2 0.886,3 1.271,4 1.531,5 3.687,6 2.925,7 2.57,8 1.519,9 1.21,11 3.746,12 2.863,13 2.618,14 300.27,15 3.526,16 12.25,17 4.535,18 5.844,19 15.621,20 1.239,21 26.6,22 38.936,23 3.982,24 3.533,25 3.857,26 3.779,27 15.169,28 24.519,29 2,30 4.459,31 1.888,32 1.156,33 0.768,34 -1,35 3760,36 247.133,37 45,38 93.356,39 4.826,40 3.065,41 3.009,42 5.219,43 651.852,44 6.472,45 7.511,46 1.068,47 46,48 9.142,49 4.266,50 4.362,51 21,52 1.639,53 28.909,54 20.411,55 6864.93,56 2.874,57 2.715,58 4.458,59 4.66,60 2.129,61 2.129,62 1.858,63 0.168,65 2.874,66 4.984,67 3594,69 4.903,70 195.094,71 16.474,72 12.75,73 1.11,74 10.853,75 10.853,76 10.853,77 10.853,78 10.853,79 0.97,80 589,81 3.132,82 135.94,83 59,84 2.453,85 332,86 5.404,87 4.76,88 0.195,89 3.388,90 165,91 2.73,92 0.405,93 1.283,94 5.077,95 5.868,96 5.868,97 31.369,98 2.727,99 -3,100 -3,101 -1,102 4.58,103 137.169,104 1.181,105 -0.484,106 4.635,107 4.903,108 4.079,109 7.578,110 3.135,111 3.135,112 22,113 3.807,114 96.525,115 14.721,116 0.001,117 2.669,118 2.669,119 0.747,120 0.007,121 0.592,122 2.706,123 32,124 3.497,125 4.174,126 -1,127 -1,128 195.094,129 7,130 5.822,131 0.461,132 -0.4,133 3.007,134 3.007,135 3.627,136 -1.197,137 6.456}
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{0 CHEMBL11,1 1.682,2 0.882,3 1.372,4 1.637,5 3.699,6 2.918,7 2.588,8 1.605,9 1.311,10 44.424,11 3.781,12 2.853,13 2.618,14 284.54,15 3.506,16 10.5,17 3.173,18 6.275,19 14.656,20 1.986,21 26.838,22 31.848,23 4.002,24 3.51,25 3.862,26 3.796,27 15.666,28 22.7,29 2.26,30 4.428,31 1.551,32 1.189,33 0.751,34 -1,35 3832,36 247.133,37 45,38 92.579,39 4.782,40 2.554,41 3.009,42 5.128,43 635.908,44 6.421,45 7.516,46 1.046,47 47,48 10.04,49 4.338,50 4.36,51 21,52 1.64,53 29.387,54 20.303,55 6628.73,56 2.874,57 2.825,58 4.694,59 4.645,60 1.557,61 1.557,62 1.886,63 0.175,64 -0.021,65 2.995,66 4.247,67 3867,68 0.122,69 4.72,70 193.624,71 14.307,72 13,73 1.088,74 11.386,75 11.386,76 11.386,77 11.386,78 11.386,79 0.943,80 588,81 3.273,82 125.133,83 56,84 2.201,85 331,86 5.229,87 4.619,88 0.194,89 3.43,90 155,91 2.75,92 0.311,93 1.414,94 4.375,95 3.625,96 3.625,97 32.862,98 2.825,99 -2.042,100 -2.042,101 -1.095,102 4.615,103 74.586,104 1.16,105 -0.223,106 4.451,107 4.751,108 4.086,109 8.765,110 3.178,111 3.178,112 23,113 3.85,114 122.551,115 14.571,116 0.002,117 2.214,118 2.214,119 1.102,120 0.108,121 0.633,122 2.733,123 31,124 3.466,125 4.143,126 -0.873,127 -0.873,128 189.624,129 6,130 5.546,131 0.804,132 -0.181,133 2.493,134 2.493,135 4.162,136 -0.457,137 7.572}
{0 CHEMBL110530,1 1.961,2 1.079,3 1.824,4 1.926,5 3.827,6 3.134,7 2.91,8 1.905,9 1.783,11 3.874,12 3.067,13 2.934,14 397.83,15 3.743,16 14.333,17 6.016,18 8.929,19 20.598,20 2.5,21 37.328,22 47.318,23 4.301,24 3.753,25 4.168,26 3.943,27 22.139,28 32.214,29 3.247,30 4.734,31 2.094,32 1.18,33 0.767,34 1,35 13057,36 361.775,37 61,38 158.098,39 5.141,40 3.183,41 3.206,42 5.437,43 1695.92,44 10.519,45 8.483,46 1.26,47 64,48 14.487,49 4.873,50 4.879,51 30,52 1.724,53 40.37,54 29.09,55 25221.4,56 3.111,57 3.088,58 6.722,59 4.924,60 2.238,61 2.238,62 1.95,63 0.113,64 1.22,65 3.246,66 5.08,67 13949,68 1.622,69 8.017,70 289.775,71 20.779,72 18,73 1.295,74 16.347,75 16.347,76 16.347,77 16.347,78 16.347,79 1.764,80 1536,81 4.389,82 176.904,83 147,84 3.061,85 885,86 5.641,87 5.084,88 0.129,89 3.764,90 406,91 2.941,92 0.368,93 1.797,94 7.286,95 6.223,96 6.223,97 46.836,98 3.863,99 1.598,100 1.598,101 0.734,102 4.959,103 462.613,104 1.35,105 1.5,106 4.979,107 5.258,108 4.42,109 12.826,110 3.526,111 3.526,112 33,113 4.205,114 188.507,115 33.227,117 2.788,118 2.788,119 2.5,120 1,121 0.896,122 2.921,123 43,124 3.784,125 4.466,126 0.643,127 0.643,128 273.246,129 3,130 5.863,131 2,132 1,133 3.298,134 3.298,135 6.168,136 2.275,137 6.025}
{0 CHEMBL111184,1 1.579,2 0.79,3 1.241,4 1.542,5 3.71,6 2.851,7 2.594,8 1.525,9 1.185,10 31.716,11 3.781,12 2.757,13 2.617,14 280.97,15 3.536,16 10.667,17 2.297,18 6.291,19 15.104,20 2.178,21 27.026,22 29.427,23 4.002,24 3.53,25 3.878,26 3.809,27 16.318,28 23.567,29 2.639,30 4.464,31 1.845,32 0.398,33 0.884,34 -0.556,35 4012,36 240.215,37 44,38 96.175,39 4.831,40 2.926,41 3.179,42 5.16,43 649.172,44 5.508,45 7.684,46 1.014,47 47,48 10.422,49 4.403,50 4.435,51 22,52 1.658,53 29.08,54 20.541,55 6808.24,56 3.103,57 2.945,58 4.833,59 4.658,60 2,61 2,62 1.83,63 0.165,64 0.212,65 3.126,66 4.966,67 4191,68 0.27,69 4.234,70 220.705,71 13.951,72 14.5,73 1.052,74 12.307,75 12.307,76 12.307,77 12.307,78 12.307,79 0.745,80 474,81 3.26,82 132.799,83 59,84 1.929,85 322,86 5.309,87 4.805,88 0.182,89 3.435,90 146,91 2.9,92 0.189,93 1.552,94 3.493,95 5.752,96 5.752,97 35.992,98 2.651,99 -1.44,100 -1.44,101 -0.797,102 4.727,103 95.506,104 1.112,105 0.167,106 4.351,107 4.704,108 4.217,109 8.939,110 3.258,111 3.258,112 25,113 3.932,114 118.27,115 12.769,116 0.001,117 2.589,118 2.589,119 1.391,120 0.442,121 0.627,122 2.891,123 36,124 3.611,125 4.29,126 -0.664,127 -0.664,128 211.195,129 3,130 5.687,131 1.118,132 0.136,133 2.793,134 2.793,135 4.152,136 0.326,137 5.907}
{0 CHEMBL1118,1 1.548,2 0.886,3 1.267,4 1.506,5 3.601,6 2.925,7 2.57,8 1.485,9 1.199,11 3.688,12 2.854,13 2.618,14 270.4,15 3.392,16 10.583,17 3.561,18 5.732,19 13.88,20 1.063,21 24.773,22 33.249,23 3.97,24 3.39,25 3.835,26 3.806,27 13.975,28 22.733,29 2,30 4.421,31 1.566,32 1.125,33 0.776,34 -1,35 2808,36 240.215,37 44,38 80.521,39 4.794,40 2.574,41 3.008,42 5.237,43 496.671,44 6.038,45 7.232,46 1.062,47 45,48 8.763,49 4.146,50 4.218,51 19,52 1.612,53 27.052,54 18.542,55 4859.77,56 2.874,57 2.738,58 4.194,59 4.631,60 1.582,61 1.582,62 1.817,63 0.188,64 -0.389,65 2.946,66 4.177,67 2692,68 -0.1,69 4.384,70 190.705,71 14.512,72 11.25,73 1.107,74 9.854,75 9.854,76 9.854,77 9.854,78 9.854,79 0.649,80 470,81 2.984,82 127.895,83 46,84 2.189,85 273,86 5.274,87 4.903,88 0.226,89 3.328,90 134,91 2.735,92 0.285,93 1,94 4.612,95 3.371,96 3.371,97 28.708,98 2.739,99 -3,100 -3,101 -1.362,102 4.437,103 131.774,104 1.181,105 -0.85,106 4.462,107 4.819,108 3.983,109 7.34,110 3.045,111 3.045,112 20,113 3.714,114 75.786,115 11.828,116 0.002,117 2.169,118 2.169,119 0.5,120 -0.406,121 0.591,122 2.715,123 28,124 3.367,125 4.043,126 -1,127 -1,128 185.195,129 1,130 5.737,131 0.106,132 -0.73,133 2.665,134 2.665,135 3.464,136 -2,137 5.936}
{0 CHEMBL111928,1 1.923,2 1.009,3 1.799,4 1.912,5 3.885,6 3.176,7 2.926,8 1.907,9 1.746,10 121.326,11 3.911,12 3.093,13 2.951,14 432.72,15 3.801,16 16.333,17 5.746,18 9.757,19 23.33,20 2.879,21 40.646,22 50.071,23 4.372,24 3.804,25 4.261,26 3.943,27 24.728,28 37.262,29 3.427,30 4.853,31 2.152,32 1.169,33 0.772,34 1.5,35 17464,36 391.454,37 65,38 184.401,39 5.285,40 3.267,41 3.184,42 5.451,43 2209.91,44 10.778,45 8.861,46 1.256,47 69,48 16.065,49 5.043,50 5.051,51 34,52 1.759,53 42.972,54 31.926,55 35000.6,56 3.131,57 3.186,58 7.444,59 5.014,60 2.34,61 2.34,62 1.954,63 0.1,64 1.891,65 3.367,66 5.291,67 18815,68 2,69 8.224,70 315.454,71 23.171,72 21.25,73 1.262,74 18.813,75 18.813,76 18.813,77 18.813,78 18.813,79 2.419,80 2290,81 4.658,82 200.574,83 165,84 3.198,85 1043,86 5.86,87 5.286,88 0.113,89 3.831,90 475,91 2.996,92 0.855,93 2.013,94 7.345,95 6.769,96 6.769,97 53.557,98 4.18,99 2.275,100 2.275,101 1.153,102 5.109,103 474.22,104 1.272,105 1.5,106 5.187,107 5.433,108 4.567,109 14.079,110 3.664,111 3.664,112 38,113 4.344,114 175.543,115 44.336,117 3.121,118 3.121,119 2.5,120 1.351,121 0.995,122 2.991,123 52,124 3.97,125 4.654,126 1,127 1,128 312.699,129 12,130 6.041,131 2.048,132 1.038,133 3.444,134 3.444,135 6.776,136 2.691,137 4.917}
{0 CHEMBL112528,1 1.923,2 1.076,3 1.791,4 1.912,5 3.885,6 3.182,7 2.953,8 1.907,9 1.739,10 125.586,11 3.922,12 3.131,13 2.951,14 434.78,15 3.779,16 17.167,17 5.649,18 9.68,19 24.2,20 2.879,21 40.636,22 52.271,23 4.371,24 3.771,25 4.255,26 3.943,27 25.032,28 38.162,29 3.527,30 4.836,31 2.152,32 1.031,33 0.791,34 1.5,35 18628,36 384,37 64,38 191.295,39 5.337,40 3.267,41 3.188,42 5.452,43 2348.82,44 10.743,45 8.949,46 1.296,47 68,48 16.402,49 5.076,50 5.096,51 35,52 1.767,53 42.461,54 32.595,55 37879.1,56 3.142,57 3.184,58 7.639,59 5,60 2.34,61 2.34,62 1.952,63 0.098,64 1.893,65 3.368,66 5.291,67 19986,68 1.956,69 8.293,70 318,71 23.753,72 22.5,73 1.285,74 19.274,75 19.274,76 19.274,77 19.274,78 19.274,79 2.442,80 2411,81 4.68,82 223.761,83 173,84 3.182,85 1072,86 5.91,87 5.257,88 0.11,89 3.813,90 490,91 2.996,92 0.912,93 2.012,94 7.291,95 6.769,96 6.769,97 55.73,98 4.008,99 2.275,100 2.275,101 1.403,102 5.156,103 491.138,104 1.262,105 1.5,106 5.22,107 5.458,108 4.617,109 14.218,110 3.689,111 3.689,112 39,113 4.369,114 197.631,115 44.79,117 3.121,118 3.121,119 2.5,120 1.355,121 1.045,122 2.993,123 54,124 4.007,125 4.691,126 1,127 1,128 318,129 11,130 6.171,131 2.118,132 1.109,133 3.535,134 3.535,135 6.802,136 2.732,137 6.186}
{0 CHEMBL112825,1 1.813,2 0.886,3 1.588,4 1.784,5 3.824,6 2.925,7 2.715,8 1.769,9 1.541,10 90.004,11 3.852,12 2.854,13 2.735,14 325.5,15 3.75,16 13.333,17 3.555,18 7.153,19 18.259,20 2.5,21 30.539,22 37.745,23 4.105,24 3.751,25 3.995,26 3.939,27 18.599,28 29.262,29 3.059,30 4.592,31 2.042,32 0.995,33 0.789,34 -0.163,35 7234,36 275.121,37 49,38 125.234,39 5.068,40 3.122,41 3.178,42 5.256,43 1074.27,44 7.072,45 8.132,46 1.062,47 52,48 11.985,49 4.624,50 4.672,51 26,52 1.697,53 31.927,54 24.663,55 13319.7,56 3.098,57 2.931,58 5.556,59 4.75,60 2.177,61 2.177,62 1.907,63 0.131,64 0.59,65 3.137,66 5.259,67 7596,68 0.733,69 5.69,70 226.366,71 17.601,72 16.5,73 1.107,74 14.293,75 14.293,76 14.293,77 14.293,78 14.293,79 1.826,80 1092,81 3.739,82 159.063,83 84,84 2.493,85 499,86 5.654,87 4.89,88 0.148,89 3.539,90 229,91 2.9,92 0.809,93 1.917,94 4.788,95 6.448,96 6.448,97 41.682,98 2.971,99 -0.407,100 -0.407,101 -0.218,102 4.86,103 252.168,104 1.181,105 1.138,106 4.893,107 5.148,108 4.351,109 10.004,110 3.401,111 3.401,112 29,113 4.078,114 119.547,115 20.769,117 2.963,118 2.963,119 2.187,120 1,121 0.805,122 2.885,123 42,124 3.761,125 4.443,126 -0.178,127 -0.178,128 216.856,129 7,130 5.936,131 1.899,132 0.888,133 3.193,134 3.193,135 4.791,136 2.275,137 5.886}
{0 CHEMBL113144,1 1.849,2 0.886,3 1.655,4 1.826,5 3.824,6 2.938,7 2.715,8 1.821,9 1.618,10 98.008,11 3.852,12 2.888,13 2.735,14 348.95,15 3.75,16 14.667,17 3.891,18 7.516,19 19.836,20 2.5,21 32.254,22 42.131,23 4.14,24 3.751,25 4.037,26 3.948,27 19.752,28 31.429,29 3.414,30 4.626,31 2.127,32 0.956,33 0.795,34 0.131,35 8764,36 289.294,37 51,38 138.567,39 5.164,40 3.236,41 3.18,42 5.311,43 1290.12,44 7.71,45 8.345,46 1.062,47 54,48 12.821,49 4.723,50 4.779,51 28,52 1.717,53 33.381,54 26.274,55 16807.7,56 3.103,57 2.964,58 6,59 4.778,60 2.301,61 2.301,62 1.907,63 0.123,64 0.728,65 3.137,66 5.261,67 9114,68 0.733,69 6.032,70 240.539,71 19.198,72 17.75,73 1.107,74 15.277,75 15.277,76 15.277,77 15.277,78 15.277,79 1.898,80 1284,81 3.861,82 175.236,83 98,84 2.623,85 578,86 5.794,87 4.944,88 0.139,89 3.58,90 268,91 2.923,92 0.809,93 1.962,94 5.287,95 6.586,96 6.586,97 45.072,98 3.08,99 -0.384,100 -0.384,101 -0.218,102 4.942,103 274.197,104 1.181,105 1.221,106 4.927,107 5.173,108 4.434,109 10.691,110 3.466,111 3.466,112 31,113 4.143,114 120.457,115 23.786,117 2.969,118 2.969,119 2.291,120 1,121 0.827,122 2.904,123 45,124 3.829,125 4.511,126 -0.178,127 -0.178,128 236.539,129 9,130 6.092,131 2,132 1,133 3.329,134 3.329,135 5.102,136 2.275,137 5.86}
{0 CHEMBL113195,1 1.813,2 0.886,3 1.588,4 1.784,5 3.824,6 2.925,7 2.715,8 1.769,9 1.541,10 90.004,11 3.852,12 2.854,13 2.735,14 325.5,15 3.75,16 13.333,17 3.555,18 7.153,19 18.259,20 2.5,21 30.539,22 37.745,23 4.105,24 3.751,25 3.995,26 3.939,27 18.599,28 29.262,29 3.059,30 4.592,31 2.042,32 0.995,33 0.789,34 -0.163,35 7234,36 275.121,37 49,38 125.234,39 5.068,40 3.122,41 3.178,42 5.256,43 1074.27,44 7.072,45 8.132,46 1.062,47 52,48 11.985,49 4.624,50 4.672,51 26,52 1.697,53 31.927,54 24.663,55 13319.7,56 3.098,57 2.931,58 5.556,59 4.75,60 2.177,61 2.177,62 1.907,63 0.131,64 0.59,65 3.137,66 5.259,67 7596,68 0.733,69 5.69,70 226.366,71 17.601,72 16.5,73 1.107,74 14.293,75 14.293,76 14.293,77 14.293,78 14.293,79 1.826,80 1092,81 3.739,82 159.063,83 84,84 2.493,85 499,86 5.654,87 4.89,88 0.148,89 3.539,90 229,91 2.9,92 0.809,93 1.917,94 4.788,95 6.448,96 6.448,97 41.682,98 2.971,99 -0.407,100 -0.407,101 -0.218,102 4.86,103 252.168,104 1.181,105 1.138,106 4.893,107 5.148,108 4.351,109 10.004,110 3.401,111 3.401,112 29,113 4.078,114 119.547,115 20.769,117 2.963,118 2.963,119 2.187,120 1,121 0.805,122 2.885,123 42,124 3.761,125 4.443,126 -0.178,127 -0.178,128 216.856,129 7,130 5.936,131 1.899,132 0.888,133 3.193,134 3.193,135 4.791,136 2.275,137 5.194}
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{0 CHEMBL130653,1 1.097,2 0.031,3 0.88,4 1.149,5 3.057,6 2.182,7 1.518,8 1.186,9 0.844,11 3.145,12 1.999,13 1.559,14 155.36,15 2.799,16 7.333,17 2.031,18 2.951,19 9.138,20 -0.17,21 14.106,22 21.822,23 3.414,24 2.762,25 3.277,26 3.487,27 7.962,28 14.333,29 0.237,30 3.679,31 0.463,32 0.333,33 0.894,35 793,36 110.039,37 24,38 41.58,39 4.557,40 1.424,41 2.361,42 4.227,43 165.45,44 3.644,45 5.862,46 0.491,47 24,48 5.43,49 3.459,50 3.553,51 12,52 1.461,53 14.727,54 11.961,55 1148.96,56 2.287,57 1.924,58 2.806,59 3.85,60 0.513,61 0.513,62 1.316,63 0.336,65 2.345,66 2.721,67 670,69 3.321,70 102.039,71 9.155,72 7,73 0.567,74 5.844,75 5.844,76 5.844,77 5.844,78 5.844,79 0.059,80 104,81 2.283,82 84.039,83 24,84 1.959,85 122,86 4.869,87 3.075,88 0.362,89 2.691,90 64,91 1.673,93 -0.365,94 2.78,95 0.969,96 0.969,97 16.69,98 1.183,102 3.961,103 38.486,104 0.606,105 -2.243,106 2.369,107 2.772,108 3.428,109 4.608,110 2.565,111 2.565,112 12,113 3.219,114 95.329,115 6.111,116 0.005,117 1.261,118 1.261,119 -0.5,120 -1.589,121 0.328,122 1.747,123 16,124 2.833,125 3.497,128 100.039,130 5.234,131 -0.831,132 -1.8,133 2.223,134 2.223,135 2.08,136 -5.223,137 8.301}
{0 CHEMBL130750,1 1.734,2 0.886,3 1.502,4 1.688,5 3.53,6 2.925,7 2.715,8 1.658,9 1.446,10 72.317,11 3.581,12 2.854,13 2.735,14 304.66,15 3.4,16 11.667,17 2.79,18 6.469,19 15.69,20 2.15,21 27.773,22 34.32,23 4.038,24 3.414,25 3.912,26 3.867,27 16.201,28 24.833,29 2.318,30 4.52,31 1.721,32 0.585,33 0.863,34 -0.36,35 4396,36 261.066,37 47,38 99.274,39 4.877,40 2.75,41 3.166,42 5.245,43 738.529,44 6.355,45 7.628,46 1.102,47 49,48 10.329,49 4.376,50 4.424,51 22,52 1.65,53 30.052,54 21.245,55 7834.34,56 3.083,57 2.877,58 5,59 4.711,60 1.775,61 1.775,62 1.775,63 0.155,65 3.135,66 4.996,67 4377,68 0.161,69 5.082,70 233.556,71 15.454,72 13.5,73 1.152,74 11.709,75 11.709,76 11.709,77 11.709,78 11.709,79 0.858,80 646,81 3.307,82 147.601,83 64,84 2.526,85 407,86 5.386,87 4.638,88 0.183,89 3.458,90 192,91 2.872,92 0.273,93 1.437,94 4.464,95 5.373,96 5.373,97 34.685,98 2.903,99 -1.61,100 -1.61,101 -1.047,102 4.668,103 126.384,104 1.214,106 4.473,107 4.811,108 4.194,109 8.75,110 3.219,111 3.219,112 24,113 3.892,114 109.253,115 16.521,116 0.001,117 2.774,118 2.774,119 1.352,120 0.562,121 0.635,122 2.856,123 34,124 3.555,125 4.234,126 -0.832,127 -0.832,128 225.556,129 6,130 5.867,131 0.991,133 2.832,134 2.832,135 3.95,137 5.606}
{0 CHEMBL131354,1 1.79,2 0.886,3 1.525,4 1.741,5 3.54,6 2.925,7 2.701,8 1.707,9 1.456,10 69.579,11 3.609,12 2.854,13 2.726,14 290,15 3.387,16 10.833,17 2.903,18 6.525,19 14.82,20 1.699,21 26.773,22 32.062,23 4.021,24 3.407,25 3.892,26 3.86,27 15.658,28 24.133,29 2.289,30 4.514,31 1.711,32 0.598,33 0.864,34 -0.643,35 3961,36 254.084,37 46,38 93.369,39 4.807,40 2.742,41 2.994,42 5.165,43 666.261,44 6.291,45 7.489,46 1.099,47 48,48 9.941,49 4.322,50 4.357,51 21,52 1.635,53 29.052,54 20.463,55 6867.48,56 2.9,57 2.857,58 4.778,59 4.705,60 1.768,61 1.768,62 1.774,63 0.162,65 3.083,66 4.834,67 3970,68 0.035,69 4.996,70 226.574,71 14.743,72 12.75,73 1.149,74 11.258,75 11.258,76 11.258,77 11.258,78 11.258,79 0.707,80 574,81 3.276,82 137.645,83 60,84 2.498,85 386,86 5.363,87 4.586,88 0.189,89 3.434,90 181,91 2.735,92 0.258,93 1.411,94 4.416,95 5.133,96 5.133,97 33.248,98 3.153,99 -2.346,100 -2.346,101 -1.097,102 4.59,103 119.954,104 1.214,105 -0.115,106 4.28,107 4.6,108 4.143,109 8.544,110 3.178,111 3.178,112 23,113 3.85,114 101.859,115 15.302,116 0.002,117 2.579,118 2.579,119 1.187,120 0.541,121 0.626,122 2.715,123 32,124 3.497,125 4.174,126 -0.96,127 -0.96,128 218.574,129 2,130 5.79,131 0.908,132 -0.098,133 2.8,134 2.8,135 3.893,136 -0.181,137 6.274}
{0 CHEMBL131383,1 1.176,2 0.075,3 0.88,4 1.185,5 3.105,6 2.357,7 1.745,8 1.188,9 0.854,11 3.189,12 2.284,13 1.67,14 172.66,15 2.884,16 8.167,17 2.502,18 3.273,19 10.008,21 15.633,22 24.727,23 3.521,24 2.877,25 3.38,26 3.589,27 8.719,28 15.633,29 1,30 3.812,31 0.588,32 0.398,33 0.888,34 -3,35 986,36 128.382,37 27,38 46.976,39 4.619,40 1.566,41 2.436,42 4.491,43 202.676,44 3.849,45 6.098,46 0.684,47 27,48 5.792,49 3.555,50 3.672,51 13,52 1.488,53 16.489,54 12.969,55 1500.08,56 2.327,57 2.198,58 2.889,59 3.994,60 0.648,61 0.648,62 1.35,63 0.31,65 2.646,66 3.169,67 843,69 3.534,70 117.627,71 10.148,72 7.5,73 0.663,74 6.379,75 6.379,76 6.379,77 6.379,78 6.379,79 0.11,80 141,81 2.357,82 94.872,83 27,84 1.988,85 135,86 4.961,87 3.517,88 0.334,89 2.804,90 71,91 1.903,93 -0.292,94 3.005,95 1.526,96 1.526,97 18.554,98 1.378,102 4.052,103 42.914,104 0.608,105 -2.008,106 2.818,107 3.2,108 3.544,109 4.656,110 2.639,111 2.639,112 13,113 3.296,114 102.049,115 6.757,116 0.004,117 1.983,118 1.983,119 -0.256,120 -1.362,121 0.367,122 1.918,123 18,124 2.944,125 3.611,128 115.627,130 5.33,131 -0.628,132 -1.469,133 2.289,134 2.289,135 2.207,136 -4.515,137 9}
{0 CHEMBL131384,1 1.181,2 0.03,3 0.871,4 1.184,5 3.103,6 2.183,7 1.519,8 1.177,9 0.802,11 3.181,12 2,13 1.56,14 155.36,15 2.854,16 7.333,17 2.031,18 2.951,19 9.138,20 -0.17,21 14.106,22 21.822,23 3.414,24 2.827,25 3.277,26 3.478,27 7.962,28 14.333,29 0.237,30 3.679,31 0.463,32 0.333,33 0.894,35 793,36 110.039,37 24,38 41.58,39 4.557,40 1.424,41 2.352,42 4.226,43 165.45,44 3.644,45 5.862,46 0.491,47 24,48 5.431,49 3.459,50 3.553,51 12,52 1.461,53 14.727,54 11.961,55 1148.96,56 2.27,57 1.929,58 2.806,59 3.85,60 0.513,61 0.513,62 1.353,63 0.336,65 2.378,66 2.721,67 670,69 3.321,70 100.039,71 9.155,72 7,73 0.567,74 5.844,75 5.844,76 5.844,77 5.844,78 5.844,79 0.032,80 104,81 2.283,82 84.039,83 24,84 1.959,85 122,86 4.869,87 3.096,88 0.362,89 2.691,90 64,91 1.667,93 -0.365,94 2.78,95 0.969,96 0.969,97 16.69,98 1.183,102 3.961,103 38.486,104 0.605,105 -2.243,106 2.097,107 2.426,108 3.428,109 4.608,110 2.565,111 2.565,112 12,113 3.219,114 95.329,115 6.111,116 0.005,117 1.261,118 1.261,119 -0.5,120 -1.578,121 0.328,122 1.745,123 16,124 2.833,125 3.497,128 98.039,130 5.182,131 -0.832,132 -1.798,133 2.223,134 2.223,135 2.08,136 -5.223,137 7.959}
{0 CHEMBL131662,1 1.613,2 0.886,3 1.315,4 1.608,5 3.5,6 2.925,7 2.715,8 1.614,9 1.254,10 67.048,11 3.52,12 2.854,13 2.735,14 284.72,15 3.313,16 11.167,17 2.394,18 5.951,19 14.983,20 2.149,21 25.719,22 31.943,23 3.929,24 3.306,25 3.812,26 3.851,27 15.232,28 22.933,29 2.317,30 4.412,31 1.718,32 0.56,33 0.856,34 -0.806,35 3776,36 226.477,37 42,38 92.413,39 4.844,40 2.748,41 3.148,42 5.128,43 643.991,44 5.636,45 7.507,46 1.062,47 44,48 9.829,49 4.305,50 4.36,51 21,52 1.638,53 27.529,54 20.218,55 6568.43,56 3.08,57 2.876,58 4.75,59 4.593,60 1.773,61 1.773,62 1.774,63 0.164,64 -0.156,65 3.09,66 4.994,67 3758,69 4.716,70 202.968,71 14.32,72 13,73 1.107,74 11.171,75 11.171,76 11.171,77 11.171,78 11.171,79 0.722,80 553,81 3.194,82 137.722,83 57,84 2.439,85 354,86 5.327,87 4.515,88 0.191,89 3.375,90 167,91 2.864,92 0.273,93 1.405,94 3.843,95 5.364,96 5.364,97 33.471,98 2.59,99 -2.865,100 -2.865,101 -1.318,102 4.687,103 117.456,104 1.181,105 -0.105,106 4.274,107 4.617,108 4.163,109 8.145,110 3.178,111 3.178,112 23,113 3.85,114 121.827,115 13.968,116 0.001,117 2.778,118 2.778,119 1.226,120 0.425,121 0.562,122 2.85,123 33,124 3.526,125 4.205,126 -1,127 -1,128 198.968,129 6,130 5.822,131 0.907,132 -0.089,133 2.91,134 2.91,135 3.656,136 -0.19,137 7.08}
{0 CHEMBL132012,1 1.234,2 0.015,3 0.953,4 1.245,5 3.113,6 2.28,7 1.653,8 1.221,9 0.889,11 3.188,12 2.199,13 1.587,14 172.66,15 2.883,16 8.167,17 2.502,18 3.273,19 10.008,21 15.633,22 24.727,23 3.521,24 2.863,25 3.38,26 3.588,27 8.719,28 15.633,29 1,30 3.812,31 0.587,32 0.398,33 0.888,34 -3,35 986,36 128.382,37 27,38 46.976,39 4.619,40 1.564,41 2.587,42 4.491,43 202.676,44 3.849,45 6.098,46 0.606,47 27,48 5.792,49 3.555,50 3.672,51 13,52 1.488,53 16.489,54 12.969,55 1500.08,56 2.447,57 2.152,58 2.889,59 3.994,60 0.648,61 0.648,62 1.353,63 0.31,65 2.614,66 3.169,67 843,69 3.534,70 117.627,71 10.148,72 7.5,73 0.603,74 6.379,75 6.379,76 6.379,77 6.379,78 6.379,79 0.082,80 141,81 2.357,82 94.872,83 27,84 1.988,85 135,86 4.961,87 3.541,88 0.334,89 2.804,90 71,91 2.039,93 -0.299,94 3.005,95 1.526,96 1.526,97 18.553,98 1.378,102 4.052,103 42.914,104 0.576,105 -2.008,106 2.947,107 3.3,108 3.544,109 4.656,110 2.639,111 2.639,112 13,113 3.296,114 102.049,115 6.757,116 0.004,117 1.983,118 1.983,119 -0.256,120 -1.391,121 0.367,122 2.053,123 18,124 2.944,125 3.611,128 115.627,130 5.372,131 -0.621,132 -1.482,133 2.289,134 2.289,135 2.207,136 -4.515,137 7.337}
{0 CHEMBL132149,1 1.247,2 0.075,3 0.968,4 1.269,5 3.117,6 2.347,7 1.743,8 1.23,9 0.895,11 3.186,12 2.266,13 1.663,14 172.66,15 2.882,16 8.167,17 2.502,18 3.273,19 10.008,21 15.633,22 24.727,23 3.521,24 2.857,25 3.38,26 3.584,27 8.719,28 15.633,29 1,30 3.812,31 0.588,32 0.398,33 0.888,34 -3,35 986,36 128.382,37 27,38 46.976,39 4.619,40 1.565,41 2.467,42 4.49,43 202.676,44 3.849,45 6.098,46 0.652,47 27,48 5.792,49 3.555,50 3.672,51 13,52 1.488,53 16.489,54 12.969,55 1500.08,56 2.361,57 2.193,58 2.889,59 3.994,60 0.648,61 0.648,62 1.357,63 0.31,65 2.632,66 3.169,67 843,69 3.534,70 115.627,71 10.148,72 7.5,73 0.653,74 6.379,75 6.379,76 6.379,77 6.379,78 6.379,79 0.062,80 141,81 2.357,82 94.872,83 27,84 1.988,85 135,86 4.961,87 3.605,88 0.334,89 2.804,90 71,91 1.905,93 -0.292,94 3.005,95 1.526,96 1.526,97 18.554,98 1.378,102 4.052,103 42.914,104 0.607,105 -2.008,106 2.681,107 2.987,108 3.544,109 4.656,110 2.639,111 2.639,112 13,113 3.296,114 102.049,115 6.757,116 0.004,117 1.983,118 1.983,119 -0.256,120 -1.412,121 0.367,122 1.922,123 18,124 2.944,125 3.611,128 113.627,130 5.284,131 -0.609,132 -1.496,133 2.289,134 2.289,135 2.207,136 -4.515,137 8.097}
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{0 CHEMBL14144,1 1.855,2 0.886,3 1.61,4 1.8,5 3.831,6 2.925,7 2.715,8 1.766,9 1.553,10 81.504,11 3.866,12 2.854,13 2.735,14 325.93,15 3.738,16 12.5,17 3.243,18 7.055,19 17.389,20 2.5,21 30.073,22 35.614,23 4.047,24 3.745,25 3.941,26 3.878,27 18.196,28 26.719,29 3.247,30 4.529,31 1.947,32 0.569,33 0.855,34 -0.098,35 6372,36 261.066,37 47,38 117.986,39 4.949,40 3.111,41 2.969,42 5.188,43 978.671,44 6.912,45 8.019,46 1.062,47 50,48 11.532,49 4.579,50 4.613,51 25,52 1.687,53 32.148,54 23.763,55 11482.5,56 2.928,57 2.877,58 5.417,59 4.688,60 2.185,61 2.185,62 1.851,63 0.133,64 0.513,65 3.136,66 5.086,67 6711,68 0.703,69 5.395,70 234.311,71 16.775,72 15.75,73 1.107,74 13.816,75 13.816,76 13.816,77 13.816,78 13.816,79 1.18,80 964,81 3.649,82 147.146,83 76,84 2.623,85 495,86 5.502,87 4.753,88 0.157,89 3.551,90 226,91 2.769,92 0.449,93 1.684,94 4.638,95 6.106,96 6.106,97 40.325,98 2.966,99 -0.743,100 -0.743,101 -0.387,102 4.844,103 217.54,104 1.181,105 1.149,106 4.715,107 4.964,108 4.318,109 9.96,110 3.367,111 3.367,112 28,113 4.043,114 123.531,115 19.827,117 2.787,118 2.787,119 2.15,120 1,121 0.612,122 2.769,123 40,124 3.714,125 4.394,126 -0.302,127 -0.302,128 227.556,129 8,130 5.887,131 2,132 1,133 3.284,134 3.284,135 4.754,136 2.136,137 5.58}
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{0 CHEMBL199512,1 1.859,2 0.983,3 1.613,4 1.804,5 3.823,6 3.166,7 2.86,8 1.774,9 1.556,10 96.588,11 3.858,12 3.083,13 2.871,14 362.38,15 3.742,16 14.167,17 3.171,18 8.258,19 19.957,20 2.85,21 34.794,22 39.736,23 4.212,24 3.746,25 4.099,26 4.011,27 21.243,28 30.433,29 3.414,30 4.686,31 2.365,32 0.427,33 0.878,34 0.985,35 10536,36 317.975,37 55,38 146.728,39 5.112,40 3.39,41 3.244,42 5.363,43 1463.72,44 7.368,45 8.403,46 1.172,47 59,48 13.764,49 4.797,50 4.831,51 29,52 1.718,53 37.057,54 27.408,55 19554.1,56 3.135,57 3.036,58 6.306,59 4.854,60 2.4,61 2.4,62 1.865,63 0.132,64 0.95,65 3.201,66 5.788,67 11458,68 1.271,69 6.671,70 294.465,71 18.481,72 18.5,73 1.183,74 16.203,75 16.203,76 16.203,77 16.203,78 16.203,79 1.214,80 1232,81 4.049,82 181.471,83 118,84 2.874,85 724,86 5.628,87 4.806,88 0.135,89 3.699,90 323,91 2.899,92 0.279,93 1.76,94 4.695,95 7.749,96 7.749,97 48.892,98 3.436,99 0.652,100 0.652,101 0.391,102 5.039,103 317.256,104 1.214,105 1.5,106 4.704,107 5.007,108 4.536,109 11.495,110 3.526,111 3.526,112 33,113 4.205,114 162.592,115 26.43,117 3.09,118 3.09,119 2.5,120 1.312,121 0.748,122 2.877,123 48,124 3.892,125 4.575,126 0.371,127 0.371,128 288.465,129 9,130 6.049,131 2.109,132 1.103,133 3.445,134 3.445,135 5.339,136 2.773,137 4.523}
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{0 CHEMBL20046,1 1.614,2 0.767,3 1.335,4 1.579,5 3.449,6 2.835,7 2.529,8 1.548,9 1.295,11 3.485,12 2.728,13 2.554,14 265.12,15 3.233,16 10.5,17 3.116,18 5.283,19 13.828,20 1.468,21 23.719,22 33.465,23 3.868,24 3.245,25 3.743,26 3.787,27 13.652,28 21.533,29 2,30 4.311,31 1.408,32 0.638,33 0.848,34 -1.321,35 2929,36 212.877,37 40,38 81.429,39 4.773,40 2.425,41 2.925,42 5.011,43 524.812,44 6.136,45 7.205,46 1.034,47 41,48 8.821,49 4.159,50 4.215,51 19,52 1.607,53 25.529,54 18.729,55 5086.65,56 2.854,57 2.844,58 4.417,59 4.508,60 1.448,61 1.448,62 1.654,63 0.187,64 -0.454,65 3.092,66 4.415,67 2796,68 -0.267,69 4.688,70 187.367,71 13.978,72 11.5,73 1.081,74 9.703,75 9.703,76 9.703,77 9.703,78 9.703,79 0.639,80 443,81 3.028,82 127.923,83 51,84 2.484,85 302,86 5.247,87 4.263,88 0.213,89 3.267,90 149,91 2.735,92 0.196,93 1.066,94 4.514,95 3.96,96 3.96,97 28.238,98 2.317,99 -3.028,100 -3.028,101 -1.5,102 4.483,103 122.293,104 1.156,105 -0.791,106 4.196,107 4.528,108 3.964,109 7.478,110 3.045,111 3.045,112 20,113 3.714,114 105.86,115 12.997,116 0.001,117 2.324,118 2.324,119 0.68,120 -0.101,121 0.534,122 2.715,123 27,124 3.332,125 4.007,126 -1.223,127 -1.223,128 187.367,129 4,130 5.696,131 0.358,132 -0.615,133 2.82,134 2.82,135 3.36,136 -1.29,137 6.757}
{0 CHEMBL200660,1 1.666,2 0.886,3 1.516,4 1.73,5 3.757,6 2.925,7 2.715,8 1.73,9 1.479,11 3.803,12 2.854,13 2.737,14 376.31,15 3.643,16 13.833,17 6.357,18 7.518,19 19.062,20 2.5,21 33.621,22 47.167,23 4.168,24 3.667,25 4.045,26 3.913,27 19.75,28 29.519,29 2.991,30 4.612,31 1.93,32 0.607,33 0.861,34 0.147,35 9382,36 310.764,37 54,38 136.862,39 5.02,40 3.086,41 3.175,42 5.295,43 1317.82,44 10.283,45 8.188,46 1.062,47 56,48 12.088,49 4.698,50 4.726,51 27,52 1.698,53 36.87,54 26.553,55 17932.6,56 3.105,57 3.029,58 6.056,59 4.796,60 2.186,61 2.186,62 1.874,63 0.127,64 0.46,65 3.208,66 4.994,67 9715,68 0.689,69 7.261,70 278.009,71 20.411,72 16.25,73 1.117,74 14.331,75 14.331,76 14.331,77 14.331,78 14.331,79 1.118,80 1248,81 4.03,82 180.218,83 116,84 3.038,85 715,86 5.521,87 4.764,88 0.145,89 3.67,90 336,91 2.961,92 0.337,93 1.707,94 7.773,95 5.947,96 5.947,97 39.898,98 3.193,99 -0.499,100 -0.499,101 -0.234,102 4.82,103 290.151,104 1.192,105 1.089,106 4.679,107 4.927,108 4.257,109 11.138,110 3.401,111 3.401,112 29,113 4.078,114 140.045,115 27.3,117 2.815,118 2.815,119 2.103,120 1.062,121 0.74,122 2.94,123 38,124 3.664,125 4.344,126 -0.214,127 -0.214,128 271.254,129 2,130 5.753,131 1.901,132 0.865,133 2.996,134 2.996,135 5.35,136 2.136,137 7.268}
{0 CHEMBL200671,1 1.626,2 0.886,3 1.431,4 1.645,5 3.716,6 2.925,7 2.707,8 1.6,9 1.385,11 3.781,12 2.857,13 2.735,14 338.29,15 3.533,16 12.833,17 6.11,18 6.554,19 16.82,20 2.07,21 29.621,22 45.24,23 4.088,24 3.536,25 3.954,26 3.765,27 16.903,28 26.719,29 2.318,30 4.548,31 1.829,32 0.805,33 0.837,34 -0.571,35 5441,36 282.193,37 50,38 108.708,39 4.879,40 2.885,41 3.009,42 5.258,43 876.609,44 9.073,45 7.741,46 1.065,47 51,48 9.921,49 4.433,50 4.491,51 23,52 1.658,53 32.87,54 22.772,55 10280.6,56 2.874,57 3.006,58 5.139,59 4.755,60 1.951,61 1.951,62 1.872,63 0.154,65 3.188,66 4.786,67 5288,68 0.106,69 6.034,70 241.928,71 18.788,72 13.75,73 1.125,74 11.847,75 11.847,76 11.847,77 11.847,78 11.847,79 0.967,80 839,81 3.49,82 164.085,83 79,84 2.736,85 469,86 5.404,87 4.615,88 0.175,89 3.534,90 231,91 2.741,92 0.359,93 1.7,94 7.411,95 5.233,96 5.233,97 32.745,98 3.082,99 -2,100 -2,101 -0.918,102 4.6,103 156.942,104 1.194,105 -0.164,106 4.642,107 4.918,108 4.068,109 9.022,110 3.219,111 3.219,112 24,113 3.892,114 105.023,115 20.802,116 0.001,117 2.484,118 2.484,119 0.976,120 0.542,121 0.699,122 2.715,123 32,124 3.497,125 4.174,126 -0.84,127 -0.84,128 241.928,129 2,130 5.682,131 0.733,132 -0.126,133 2.871,134 2.871,135 4.316,136 -0.372,137 7.959}
{0 CHEMBL200698,1 1.62,2 0.89,3 1.414,4 1.61,5 3.706,6 2.925,7 2.715,8 1.615,9 1.376,10 79.474,11 3.73,12 2.854,13 2.735,14 304.85,15 3.584,16 12,17 2.685,18 6.805,19 16.681,20 2.308,21 28.961,22 33.801,23 4.055,24 3.574,25 3.947,26 3.933,27 17.53,28 26.4,29 3,30 4.548,31 1.883,32 0.5,33 0.868,34 -0.076,35 5899,36 261.066,37 47,38 112.26,39 4.957,40 2.887,41 3.166,42 5.215,43 908.577,44 6.286,45 7.874,46 1.171,47 50,48 11.223,49 4.518,50 4.555,51 24,52 1.671,53 30.745,54 23.06,55 10370.2,56 3.083,57 2.877,58 5.278,59 4.716,60 1.891,61 1.891,62 1.774,63 0.145,64 0.451,65 3.135,66 5.015,67 6229,68 0.798,69 5.478,70 237.556,71 15.768,72 15.5,73 1.183,74 13.232,75 13.232,76 13.232,77 13.232,78 13.232,79 0.902,80 786,81 3.573,82 153.05,83 77,84 2.505,85 469,86 5.475,87 4.608,88 0.163,89 3.494,90 213,91 2.871,92 0.233,93 1.7,94 4.13,95 5.468,96 5.468,97 39.913,98 2.896,99 -0.547,100 -0.547,101 -0.23,102 4.81,103 136.333,104 1.214,105 0.927,106 4.48,107 4.787,108 4.334,109 9.499,110 3.332,111 3.332,112 27,113 4.007,114 117.616,115 19.063,117 2.782,118 2.782,119 2.118,120 0.896,121 0.635,122 2.856,123 39,124 3.689,125 4.369,126 -0.21,127 -0.21,128 233.556,129 8,130 5.898,131 1.618,132 0.618,133 3.196,134 3.196,135 4.381,136 1.372,137 6.896}
{0 CHEMBL200713,1 1.708,2 0.886,3 1.505,4 1.728,5 3.756,6 2.925,7 2.715,8 1.698,9 1.463,11 3.802,12 2.854,13 2.736,14 374.1,15 3.641,16 13.833,17 6.081,18 7.444,19 19.062,20 2.5,21 33.314,22 47.232,23 4.141,24 3.667,25 4.032,26 3.911,27 19.652,28 29.586,29 3.033,30 4.602,31 1.799,32 0.618,33 0.858,34 0.139,35 9475,36 303.58,37 53,38 137.165,39 5.024,40 2.867,41 3.152,42 5.239,43 1320.64,44 10.283,45 8.184,46 1.062,47 55,48 12.022,49 4.698,50 4.728,51 27,52 1.697,53 36.319,54 26.587,55 18103.6,56 3.118,57 3.029,58 6.083,59 4.772,60 1.956,61 1.956,62 1.874,63 0.127,64 0.461,65 3.209,66 4.787,67 9811,68 0.709,69 7.345,70 270.825,71 20.411,72 16.25,73 1.119,74 14.325,75 14.325,76 14.325,77 14.325,78 14.325,79 1.059,80 1238,81 4.029,82 173.034,83 118,84 3.013,85 719,86 5.56,87 4.769,88 0.145,89 3.655,90 338,91 2.953,92 0.224,93 1.714,94 7.773,95 5.237,96 5.237,97 39.621,98 3.193,99 -0.405,100 -0.405,101 -0.196,102 4.82,103 290.241,104 1.19,105 1.293,106 4.655,107 4.901,108 4.243,109 11.204,110 3.401,111 3.401,112 29,113 4.078,114 127.008,115 26.947,117 2.554,118 2.554,119 2.321,120 1.286,121 0.691,122 2.948,123 38,124 3.664,125 4.344,126 -0.181,127 -0.181,128 268.07,129 4,130 5.819,131 2,132 1,133 2.995,134 2.995,135 5.36,136 2.136,137 7.252}
{0 CHEMBL200748,1 1.805,2 0.886,3 1.612,4 1.8,5 3.745,6 2.985,7 2.763,8 1.773,9 1.554,10 92.849,11 3.779,12 2.937,13 2.772,14 340.16,15 3.658,16 14.167,17 3.307,18 7.364,19 19.129,20 2.535,21 31.539,22 40.228,23 4.117,24 3.658,25 4.008,26 3.944,27 19.252,28 29.962,29 3.313,30 4.605,31 2.211,32 0.63,33 0.849,34 -0.058,35 8178,36 282.193,37 50,38 132.581,39 5.101,40 3.275,41 3.166,42 5.284,43 1210.55,44 7.144,45 8.209,46 1.086,47 53,48 12.415,49 4.668,50 4.728,51 27,52 1.701,53 32.927,54 25.598,55 15325.8,56 3.083,57 2.877,58 5.861,59 4.771,60 2.307,61 2.307,62 1.803,63 0.134,64 0.578,65 3.136,66 5.291,67 8537,68 0.803,69 6.141,70 250.683,71 18.281,72 17,73 1.116,74 14.715,75 14.715,76 14.715,77 14.715,78 14.715,79 1.003,80 1034,81 3.762,82 164.135,83 100,84 2.667,85 571,86 5.685,87 4.72,88 0.147,89 3.573,90 263,91 2.875,92 0.313,93 1.732,94 4.837,95 6.73,96 6.73,97 43.806,98 3.078,99 -0.541,100 -0.541,101 -0.229,102 4.92,103 248.081,104 1.181,105 1.148,106 4.532,107 4.839,108 4.429,109 10.301,110 3.434,111 3.434,112 30,113 4.111,114 131.331,115 23.396,117 2.93,118 2.93,119 2.149,120 1.212,121 0.814,122 2.86,123 44,124 3.807,125 4.489,126 -0.208,127 -0.208,128 246.683,129 6,130 6.186,131 2,132 1,133 3.323,134 3.323,135 4.791,136 2.275,137 6.963}
{0 CHEMBL20097,1 1.624,2 0.886,3 1.341,4 1.634,5 3.69,6 2.925,7 2.715,8 1.653,9 1.296,11 3.733,12 2.854,13 2.735,14 305.78,15 3.582,16 11.833,17 3.52,18 6.461,19 16.234,20 2.5,21 28.246,22 36.843,23 4.012,24 3.584,25 3.894,26 3.875,27 16.678,28 24.933,29 2.464,30 4.457,31 1.865,32 0.685,33 0.837,34 -0.577,35 5387,36 254.084,37 46,38 107.318,39 4.916,40 2.873,41 2.972,42 5.126,43 853.179,44 7.076,45 7.738,46 1.062,47 48,48 10.855,49 4.458,50 4.493,51 23,52 1.657,53 30.29,54 22.515,55 9657.57,56 2.911,57 2.85,58 5.194,59 4.64,60 1.878,61 1.878,62 1.809,63 0.156,64 0.091,65 3.093,66 4.595,67 5499,68 0.205,69 5.694,70 222.574,71 15.917,72 14,73 1.107,74 12.264,75 12.264,76 12.264,77 12.264,78 12.264,79 0.838,80 702,81 3.505,82 137.722,83 78,84 2.72,85 461,86 5.406,87 4.445,88 0.172,89 3.466,90 217,91 2.792,92 0.243,93 1.435,94 4.897,95 4.771,96 4.771,97 36.026,98 2.74,99 -1.976,100 -1.976,101 -0.836,102 4.718,103 227.524,104 1.181,105 0.258,106 4.36,107 4.656,108 4.2,109 9.332,110 3.258,111 3.258,112 25,113 3.932,114 131.184,115 19.501,117 2.628,118 2.628,119 1.468,120 1,121 0.606,122 2.773,123 34,124 3.555,125 4.234,126 -0.779,127 -0.779,128 213.819,129 4,130 5.808,131 1.149,132 0.207,133 3.076,134 3.076,135 4.336,136 0.337,137 6.693}
{0 CHEMBL20127,1 1.961,2 1.078,3 1.823,4 1.926,5 3.832,6 3.134,7 2.919,8 1.905,9 1.78,11 3.873,12 3.07,13 2.933,14 404.41,15 3.743,16 15.167,17 6.011,18 8.847,19 21.468,20 2.585,21 37.736,22 49.622,23 4.298,24 3.753,25 4.182,26 3.943,27 22.498,28 33.748,29 3.247,30 4.744,31 2.1,32 0.951,33 0.805,34 1.341,35 13813,36 361.775,37 61,38 164.236,39 5.21,40 3.2,41 3.222,42 5.43,43 1807.58,44 10.678,45 8.588,46 1.258,47 64,48 14.773,49 4.91,50 4.926,51 31,52 1.734,53 40.273,54 29.725,55 27137.3,56 3.15,57 3.071,58 6.917,59 4.911,60 2.268,61 2.268,62 1.95,63 0.11,64 1.231,65 3.232,66 5.127,67 14690,68 1.639,69 7.941,70 303.775,71 21.703,72 18.75,73 1.287,74 16.825,75 16.825,76 16.825,77 16.825,78 16.825,79 1.802,80 1670,81 4.402,82 187.811,83 150,84 3.063,85 904,86 5.724,87 5.079,88 0.125,89 3.756,90 416,91 2.946,92 0.509,93 1.791,94 7.476,95 6.318,96 6.318,97 47.92,98 3.722,99 1.677,100 1.677,101 0.765,102 4.994,103 477.368,104 1.336,105 1.5,106 5.036,107 5.298,108 4.447,109 13.017,110 3.555,111 3.555,112 34,113 4.234,114 170.448,115 34.108,117 2.889,118 2.889,119 2.5,120 1,121 0.862,122 2.936,123 45,124 3.829,125 4.511,126 0.679,127 0.679,128 292.755,129 5,130 6.005,131 2,132 1,133 3.298,134 3.298,135 6.237,136 2.275,137 5.668}
{0 CHEMBL2021528,1 1.926,2 1.101,3 1.749,4 1.907,5 3.851,6 3.166,7 2.878,8 1.891,9 1.702,10 114.182,11 3.892,12 3.115,13 2.901,14 427,15 3.754,16 15.667,17 4.531,18 9.397,19 22.079,20 2.729,21 39.992,22 45.312,23 4.345,24 3.763,25 4.227,26 3.966,27 23.811,28 33.852,29 3.432,30 4.821,31 2.31,32 0.649,33 0.854,34 1.348,35 12702,36 384,37 64,38 165.31,39 5.164,40 3.332,41 3.248,42 5.551,43 1741.89,44 9.389,45 8.745,46 1.318,47 68,48 15.064,49 4.943,50 4.973,51 32,52 1.753,53 43.5,54 29.367,55 24974.5,56 3.136,57 3.14,58 6.944,59 4.992,60 2.346,61 2.346,62 1.895,63 0.105,64 1.548,65 3.287,66 5.308,67 13637,68 2,69 6.487,70 342.49,71 21.702,72 19.5,73 1.364,74 17.758,75 17.758,76 17.758,77 17.758,78 17.758,79 2.282,80 1744,81 4.253,82 192.323,83 124,84 2.717,85 769,86 5.672,87 5.253,88 0.12,89 3.854,90 348,91 3.02,92 0.787,93 2.094,94 6.368,95 6.655,96 6.655,97 52.155,98 4.036,99 2.136,100 2.136,101 1.149,102 5.085,103 403.763,104 1.424,105 1.5,106 5.316,107 5.567,108 4.572,109 12.858,110 3.611,111 3.611,112 36,113 4.29,114 171.976,115 27.406,117 3.207,118 3.207,119 2.5,120 1.253,121 0.818,122 3,123 51,124 3.951,125 4.635,126 1,127 1,128 317.735,129 7,130 6.036,131 2.071,132 1.043,133 3.426,134 3.426,135 6.117,136 2.751,137 4.648}
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{0 CHEMBL203299,1 1.821,2 0.886,3 1.612,4 1.802,5 3.738,6 2.963,7 2.762,8 1.773,9 1.554,10 88.216,11 3.774,12 2.911,13 2.773,14 334.09,15 3.655,16 13.333,17 3.12,18 7.313,19 18.259,20 2.5,21 31.156,22 38.044,23 4.111,24 3.658,25 3.999,26 3.938,27 18.831,28 28.448,29 3.31,30 4.595,31 2.114,32 0.47,33 0.876,34 -0.058,35 7412,36 282.193,37 50,38 125.883,39 5.038,40 3.182,41 3.166,42 5.277,43 1111.44,44 6.942,45 8.099,46 1.086,47 53,48 12.139,49 4.624,50 4.672,51 26,52 1.691,53 32.989,54 24.802,55 13606.4,56 3.083,57 2.877,58 5.694,59 4.765,60 2.226,61 2.226,62 1.802,63 0.136,64 0.576,65 3.136,66 5.068,67 7774,68 0.803,69 5.967,70 258.683,71 17.391,72 16.25,73 1.122,74 14.215,75 14.215,76 14.215,77 14.215,78 14.215,79 0.988,80 942,81 3.715,82 159.438,83 93,84 2.671,85 548,86 5.592,87 4.707,88 0.152,89 3.575,90 251,91 2.875,92 0.286,93 1.731,94 4.644,95 6.11,96 6.11,97 42.533,98 3.098,99 -0.54,100 -0.54,101 -0.229,102 4.883,103 236.715,104 1.185,105 1.147,106 4.526,107 4.836,108 4.395,109 10.122,110 3.401,111 3.401,112 29,113 4.078,114 131.686,115 22.308,117 2.881,118 2.881,119 2.149,120 1.093,121 0.737,122 2.86,123 42,124 3.761,125 4.443,126 -0.208,127 -0.208,128 251.928,129 6,130 6.006,131 2,132 1,133 3.274,134 3.274,135 4.687,136 2.275,137 6.604}
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{0 CHEMBL211077,1 1.944,2 0.886,3 1.75,4 1.923,5 3.808,6 2.925,7 2.715,8 1.905,9 1.705,11 3.841,12 2.854,13 2.735,14 363.74,15 3.743,16 13.333,17 4.892,18 8.061,19 19.184,20 2.5,21 34.299,22 42.524,23 4.196,24 3.753,25 4.081,26 3.919,27 20.437,28 29.633,29 3.247,30 4.623,31 2.028,32 0.982,33 0.791,34 0.862,35 10046,36 317.975,37 55,38 141.948,39 5.101,40 3.085,41 3.088,42 5.271,43 1396.49,44 9.159,45 8.297,46 1.062,47 58,48 13.528,49 4.772,50 4.775,51 28,52 1.709,53 36.813,54 27.066,55 18901.4,56 3.011,57 3.008,58 6.25,59 4.781,60 2.129,61 2.129,62 1.911,63 0.121,64 0.824,65 3.151,66 5.102,67 10699,68 1.357,69 7.021,70 263.975,71 18.888,72 16.75,73 1.107,74 15.347,75 15.347,76 15.347,77 15.347,78 15.347,79 1.348,80 1308,81 4.116,82 166.56,83 116,84 2.901,85 731,86 5.567,87 5.049,88 0.139,89 3.677,90 334,91 2.814,92 0.382,93 1.93,94 6.178,95 6.048,96 6.048,97 44.34,98 3.328,99 1.024,100 1.024,101 0.453,102 4.916,103 410.179,104 1.181,105 1.5,106 4.807,107 5.11,108 4.373,109 11.917,110 3.466,111 3.466,112 31,113 4.143,114 172.002,115 29.337,117 2.737,118 2.737,119 2.5,120 1,121 0.707,122 2.797,123 41,124 3.738,125 4.419,126 0.383,127 0.383,128 252.955,129 2,130 5.801,131 2,132 1,133 3.298,134 3.298,135 5.721,136 2.136,137 8.293}
{0 CHEMBL21112,1 1.592,2 0.642,3 1.25,4 1.581,5 3.488,6 2.786,7 2.396,8 1.586,9 1.198,10 59.188,11 3.506,12 2.695,13 2.375,14 244.17,15 3.275,16 9.833,17 2.307,18 5.368,19 13.405,20 1.494,21 22.576,22 27.548,23 3.825,24 3.252,25 3.71,26 3.828,27 13.671,28 21.748,29 2.232,30 4.322,31 1.701,32 0.507,33 0.867,34 -1.45,35 2888,36 192.75,37 37,38 80.054,39 4.753,40 2.736,41 2.892,42 4.96,43 495.597,44 5.029,45 7.224,46 0.911,47 39,48 8.784,49 4.171,50 4.219,51 19,52 1.61,53 23.705,54 18.414,55 4731.92,56 2.828,57 2.715,58 4.194,59 4.489,60 1.765,61 1.765,62 1.771,63 0.177,64 -0.418,65 2.854,66 4.821,67 2900,68 -0.33,69 4.297,70 173.995,71 12.77,72 12,73 0.913,74 10.293,75 10.293,76 10.293,77 10.293,78 10.293,79 0.574,80 417,81 3.059,82 119.889,83 47,84 2.189,85 289,86 5.352,87 4.398,88 0.207,89 3.244,90 135,91 2.63,92 0.258,93 1.319,94 3.38,95 5.096,96 5.096,97 30.371,98 2.313,99 -3,100 -3,101 -1.5,102 4.527,103 102.464,104 0.911,105 -0.245,106 3.863,107 4.201,108 4.057,109 7.44,110 3.091,111 3.091,112 21,113 3.761,114 93.9,115 11.108,116 0.001,117 2.575,118 2.575,119 0.975,120 0.265,121 0.579,122 2.634,123 30,124 3.434,125 4.111,126 -1.295,127 -1.295,128 169.995,129 2,130 5.713,131 0.744,132 -0.213,133 2.751,134 2.751,135 3.459,136 -0.551,137 7.726}
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{0 CHEMBL2112480,1 1.615,2 0.886,3 1.332,4 1.622,5 3.737,6 2.925,7 2.715,8 1.639,9 1.291,11 3.774,12 2.854,13 2.735,14 320.99,15 3.619,16 12.333,17 4.253,18 6.58,19 16.941,20 2.5,21 29.073,22 39.098,23 4.011,24 3.62,25 3.901,26 3.895,27 17.28,28 26.019,29 2.695,30 4.465,31 1.9,32 0.625,33 0.847,34 -0.237,35 5967,36 254.084,37 46,38 113.465,39 4.934,40 3.069,41 2.957,42 5.137,43 937.635,44 7.932,45 7.878,46 1.062,47 48,48 11.04,49 4.522,50 4.552,51 24,52 1.673,53 31.148,54 23.344,55 10934.4,56 2.901,57 2.849,58 5.417,59 4.635,60 2.148,61 2.148,62 1.85,63 0.142,64 0.171,65 3.093,66 5.011,67 6096,68 0.352,69 5.755,70 225.329,71 17.158,72 14.75,73 1.107,74 12.776,75 12.776,76 12.776,77 12.776,78 12.776,79 0.906,80 856,81 3.601,82 142.919,83 80,84 2.772,85 498,86 5.451,87 4.715,88 0.164,89 3.492,90 234,91 2.803,92 0.392,93 1.448,94 5.671,95 5.968,96 5.968,97 36.333,98 2.738,99 -1.374,100 -1.374,101 -0.677,102 4.745,103 246.372,104 1.181,105 0.287,106 4.556,107 4.818,108 4.191,109 9.795,110 3.296,111 3.296,112 26,113 3.97,114 125.208,115 21.167,117 2.739,118 2.739,119 1.47,120 1,121 0.595,122 2.782,123 35,124 3.584,125 4.263,126 -0.581,127 -0.581,128 218.574,129 5,130 5.801,131 1.182,132 0.232,133 3.189,134 3.189,135 4.605,136 0.508,137 5.526}
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{0 CHEMBL2112508,1 1.854,2 0.886,3 1.661,4 1.837,5 3.824,6 3.171,7 2.844,8 1.837,9 1.626,10 102.345,11 3.852,12 3.089,13 2.862,14 366.25,15 3.75,16 15.167,17 4.112,18 7.805,19 20.543,20 2.5,21 33.781,22 44.408,23 4.193,24 3.751,25 4.087,26 3.949,27 20.585,28 32.729,29 3.414,30 4.688,31 2.129,32 0.991,33 0.794,34 0.302,35 9649,36 310.764,37 54,38 145.45,39 5.18,40 3.242,41 3.182,42 5.347,43 1411.9,44 8.314,45 8.445,46 1.135,47 57,48 13.28,49 4.777,50 4.828,51 29,52 1.726,53 35.142,54 27.101,55 18841.9,56 3.114,57 2.973,58 6.333,59 4.847,60 2.311,61 2.311,62 1.907,63 0.119,64 0.733,65 3.138,66 5.261,67 9999,68 1.006,69 6.234,70 257.254,71 20.155,72 18.5,73 1.151,74 15.698,75 15.698,76 15.698,77 15.698,78 15.698,79 2.021,80 1388,81 3.94,82 180.522,83 106,84 2.697,85 638,86 5.777,87 5.057,88 0.135,89 3.619,90 297,91 2.93,92 0.809,93 1.965,94 5.778,95 6.601,96 6.601,97 45.773,98 3.238,99 0.116,100 0.116,101 0.065,102 4.963,103 285.791,104 1.215,105 1.306,106 5.061,107 5.332,108 4.449,109 11.195,110 3.497,111 3.497,112 32,113 4.174,114 137.622,115 26.331,117 2.97,118 2.97,119 2.339,120 1.366,121 0.863,122 2.91,123 46,124 3.85,125 4.533,126 0.059,127 0.059,128 253.254,129 10,130 6.113,131 2,132 1,133 3.348,134 3.348,135 5.261,136 2.275,137 5.161}
{0 CHEMBL2112509,1 1.866,2 0.921,3 1.668,4 1.853,5 3.824,6 3.179,7 2.903,8 1.854,9 1.633,10 106.948,11 3.852,12 3.102,13 2.921,14 383.55,15 3.75,16 15.667,17 4.492,18 8.286,19 21.25,20 2.5,21 35.308,22 46.75,23 4.243,24 3.751,25 4.134,26 3.949,27 21.401,28 34.029,29 3.414,30 4.739,31 2.13,32 0.974,33 0.801,34 0.906,35 10655,36 332.475,37 57,38 152.556,39 5.203,40 3.243,41 3.202,42 5.362,43 1545.33,44 8.932,45 8.54,46 1.225,47 60,48 13.786,49 4.828,50 4.876,51 30,52 1.734,53 36.904,54 27.961,55 21154.5,56 3.137,57 3.042,58 6.583,59 4.903,60 2.313,61 2.313,62 1.907,63 0.115,64 0.733,65 3.229,66 5.261,67 11012,68 1.062,69 6.479,70 276.965,71 21.116,72 19,73 1.209,74 16.236,75 16.236,76 16.236,77 16.236,78 16.236,79 2.188,80 1504,81 4.033,82 191.009,83 115,84 2.852,85 700,86 5.814,87 5.161,88 0.131,89 3.665,90 327,91 2.971,92 0.85,93 1.966,94 6.287,95 6.605,96 6.605,97 47.177,98 3.655,99 0.311,100 0.311,101 0.128,102 4.984,103 297.871,104 1.226,105 1.39,106 5.163,107 5.434,108 4.468,109 11.801,110 3.526,111 3.526,112 33,113 4.205,114 140.156,115 29.009,117 2.97,118 2.97,119 2.398,120 1.366,121 0.902,122 2.958,123 47,124 3.871,125 4.554,126 0.122,127 0.122,128 272.965,129 11,130 6.138,131 2,132 1,133 3.35,134 3.35,135 5.557,136 2.275,137 5.429}
{0 CHEMBL2112510,1 1.905,2 0.934,3 1.684,4 1.885,5 3.824,6 3.179,7 2.903,8 1.882,9 1.648,10 111.551,11 3.852,12 3.102,13 2.921,14 400.85,15 3.75,16 16.5,17 4.873,18 8.59,19 22.121,20 2.822,21 36.834,22 49.143,23 4.291,24 3.751,25 4.18,26 3.95,27 22.158,28 35.329,29 3.414,30 4.787,31 2.135,32 1.104,33 0.784,34 1.127,35 11669,36 354.413,37 60,38 159.581,39 5.236,40 3.251,41 3.203,42 5.436,43 1674.21,44 9.16,45 8.633,46 1.239,47 63,48 14.151,49 4.866,50 4.923,51 31,52 1.742,53 38.665,54 28.769,55 23526.2,56 3.137,57 3.057,58 6.667,59 4.955,60 2.325,61 2.325,62 1.907,63 0.112,64 0.737,65 3.249,66 5.262,67 12029,68 1.069,69 6.681,70 288.149,71 22.078,72 19.5,73 1.308,74 16.77,75 16.77,76 16.77,77 16.77,78 16.77,79 2.355,80 1637,81 4.093,82 197.42,83 123,84 2.861,85 727,86 5.851,87 5.256,88 0.127,89 3.709,90 341,91 2.972,92 0.922,93 1.992,94 6.524,95 6.616,96 6.616,97 49.031,98 3.794,99 0.349,100 0.349,101 0.139,102 5.017,103 309.951,104 1.302,105 1.5,106 5.255,107 5.527,108 4.508,109 11.846,110 3.555,111 3.555,112 34,113 4.234,114 144.389,115 31.207,117 2.971,118 2.971,119 2.5,120 1.366,121 0.941,122 2.961,123 49,124 3.912,125 4.595,126 0.133,127 0.133,128 284.149,129 12,130 6.184,131 2,132 1,133 3.355,134 3.355,135 5.677,136 2.702,137 4.991}
{0 CHEMBL2112511,1 1.923,2 1.112,3 1.786,4 1.912,5 3.897,6 3.181,7 2.938,8 1.907,9 1.735,10 127.175,11 3.929,12 3.12,13 2.957,14 438.87,15 3.82,16 17.5,17 5.356,18 9.56,19 24.363,20 2.935,21 40.834,22 52.081,23 4.357,24 3.825,25 4.253,26 3.951,27 25.004,28 38.129,29 3.613,30 4.838,31 2.386,32 0.918,33 0.809,34 1.5,35 17558,36 384,37 64,38 189.267,39 5.338,40 3.423,41 3.222,42 5.492,43 2287.97,44 10.375,45 8.967,46 1.312,47 68,48 16.325,49 5.067,50 5.096,51 35,52 1.77,53 42.665,54 32.246,55 35825.1,56 3.138,57 3.115,58 7.583,59 4.988,60 2.438,61 2.438,62 1.957,63 0.098,64 1.896,65 3.321,66 5.344,67 18776,68 2,69 7.749,70 325.245,71 23.815,72 22,73 1.31,74 19.254,75 19.254,76 19.254,77 19.254,78 19.254,79 2.648,80 2355,81 4.578,82 208.279,83 161,84 3.115,85 1006,86 5.923,87 5.239,88 0.111,89 3.825,90 460,91 2.99,92 0.984,93 2.129,94 7.059,95 6.791,96 6.791,97 56.168,98 3.891,99 2.275,100 2.275,101 1.313,102 5.168,103 480.8,104 1.301,105 1.5,106 5.317,107 5.57,108 4.636,109 13.957,110 3.689,111 3.689,112 39,113 4.369,114 181.898,115 41.412,117 3.34,118 3.34,119 2.5,120 1.654,121 0.976,122 2.985,123 55,124 4.025,125 4.71,126 1,127 1,128 312.98,129 11,130 6.244,131 2.178,132 1.155,133 3.454,134 3.454,135 6.704,136 3.012,137 5.207}
{0 CHEMBL2112512,1 1.923,2 1.021,3 1.716,4 1.912,5 3.824,6 3.18,7 2.905,8 1.906,9 1.669,10 116.59,11 3.852,12 3.103,13 2.923,14 418.15,15 3.75,16 17,17 5.28,18 8.992,19 22.828,20 2.864,21 38.361,22 51.615,23 4.337,24 3.751,25 4.223,26 3.95,27 22.975,28 36.629,29 3.414,30 4.833,31 2.154,32 1.084,33 0.791,34 1.134,35 12927,36 376.569,37 63,38 167.075,39 5.265,40 3.25,41 3.207,42 5.53,43 1826.55,44 9.786,45 8.72,46 1.307,47 66,48 14.664,49 4.914,50 4.967,51 32,52 1.75,53 40.427,54 29.672,55 26428.9,56 3.137,57 3.079,58 6.917,59 5.006,60 2.321,61 2.321,62 1.907,63 0.109,64 1.043,65 3.286,66 5.261,67 13306,68 1.337,69 6.997,70 308.304,71 23.043,72 20,73 1.308,74 17.254,75 17.254,76 17.254,77 17.254,78 17.254,79 2.545,80 1806,81 4.199,82 209.772,83 133,84 2.957,85 796,86 5.867,87 5.256,88 0.123,89 3.752,90 374,91 2.975,92 1.016,93 2.116,94 7.047,95 6.606,96 6.606,97 50.363,98 3.988,99 0.901,100 0.901,101 0.438,102 5.037,103 322.857,104 1.342,105 1.5,106 5.343,107 5.622,108 4.534,109 12.304,110 3.584,111 3.584,112 35,113 4.263,114 148.982,115 34.465,117 2.97,118 2.97,119 2.5,120 1.366,121 0.979,122 2.965,123 50,124 3.932,125 4.615,126 0.406,127 0.406,128 304.304,129 11,130 6.22,131 2,132 1,133 3.351,134 3.351,135 5.903,136 2.739,137 5.18}
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{0 CHEMBL291321,1 1.702,2 0.886,3 1.441,4 1.701,5 3.577,6 2.925,7 2.715,8 1.706,9 1.405,10 61.498,11 3.597,12 2.854,13 2.735,14 317.58,15 3.356,16 11.5,17 3.01,18 6.667,19 15.974,20 2.181,21 28.563,22 31.77,23 4.007,24 3.496,25 3.896,26 3.878,27 17.194,28 24.39,29 2.753,30 4.525,31 2.046,32 0.506,33 0.871,34 -0.366,35 5345,36 247.133,37 45,38 106.31,39 4.819,40 3.09,41 2.985,42 5.159,43 835.491,44 6.301,45 7.749,46 1.062,47 48,48 10.094,49 4.454,50 4.489,51 23,52 1.66,53 31.949,54 22.285,55 9282.85,56 2.914,57 2.953,58 4.889,59 4.694,60 2.117,61 2.117,62 1.788,63 0.144,64 0.1,65 3.101,66 4.974,67 5587,68 0.276,69 5.43,70 224.379,71 15.793,72 14.5,73 1.107,74 12.863,75 12.863,76 12.863,77 12.863,78 12.863,79 1.083,80 717,81 3.544,82 151.282,83 73,84 2.666,85 465,86 5.431,87 4.665,88 0.17,89 3.545,90 212,91 2.921,92 0.453,93 1.72,94 4.326,95 5.79,96 5.79,97 37.201,98 2.922,99 -2,100 -2,101 -0.703,102 4.758,103 218.613,104 1.181,105 0.24,106 4.589,107 4.847,108 4.249,109 9.014,110 3.296,111 3.296,112 26,113 3.97,114 88.855,115 19.036,116 0.001,117 2.714,118 2.714,119 1.423,120 0.56,121 0.603,122 2.794,123 38,124 3.664,125 4.344,126 -0.688,127 -0.688,128 220.379,129 8,130 5.592,131 1.129,132 0.129,133 2.926,134 2.926,135 4.35,136 0.511,137 6.672}
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{0 CHEMBL300155,1 1.865,2 0.922,3 1.617,4 1.807,5 3.88,6 2.988,7 2.772,8 1.773,9 1.559,10 79.366,11 3.907,12 2.92,13 2.816,14 366.9,15 3.818,16 13.333,17 3.532,18 8.048,19 19.087,20 2.601,21 33.798,22 37.606,23 4.152,24 3.832,25 4.047,26 3.907,27 20.713,28 28.8,29 3.414,30 4.649,31 2.157,32 0.5,33 0.867,34 0.785,35 9692,36 296.423,37 52,38 140.163,39 5.017,40 3.213,41 3.153,42 5.292,43 1357.18,44 7.589,45 8.314,46 1.159,47 56,48 12.83,49 4.757,50 4.774,51 28,52 1.712,53 36.404,54 26.699,55 17776.4,56 3.102,57 2.982,58 6,59 4.801,60 2.256,61 2.256,62 1.923,63 0.117,64 0.873,65 3.131,66 5.382,67 10531,68 1.137,69 6.523,70 270.423,71 18.299,72 17.5,73 1.183,74 15.824,75 15.824,76 15.824,77 15.824,78 15.824,79 1.385,80 1308,81 4.081,82 172.616,83 106,84 2.883,85 704,86 5.591,87 4.806,88 0.138,89 3.692,90 315,91 2.961,92 0.517,93 1.779,94 4.96,95 6.901,96 6.901,97 46.566,98 3.345,99 0.503,100 0.503,101 0.236,102 4.984,103 364.688,104 1.19,105 1.5,106 4.849,107 5.066,108 4.464,109 11.306,110 3.497,111 3.497,112 32,113 4.174,114 131.992,115 27.765,117 2.925,118 2.925,119 2.5,120 1.136,121 0.662,122 2.944,123 46,124 3.85,125 4.533,126 0.202,127 0.202,128 259.668,129 8,130 5.87,131 2,132 1,133 3.426,134 3.426,135 5.424,136 2.275,137 5.35}
{0 CHEMBL300185,1 1.605,2 0.785,3 1.309,4 1.549,5 3.565,6 2.834,7 2.57,8 1.516,9 1.233,11 3.641,12 2.781,13 2.617,14 251.08,15 3.385,16 10.667,17 2.374,18 5.356,19 14.276,20 1.862,21 23.529,22 29.73,23 3.818,24 3.38,25 3.699,26 3.841,27 14.2,28 21.729,29 2.252,30 4.258,31 1.787,32 0.744,33 0.813,34 -1.028,35 3344,36 192.75,37 37,38 86.388,39 4.805,40 2.854,41 2.925,42 4.906,43 573.662,44 4.991,45 7.364,46 0.986,47 39,48 9.208,49 4.231,50 4.29,51 20,52 1.624,53 24.733,54 19.371,55 5655.57,56 2.854,57 2.715,58 4.306,59 4.439,60 1.907,61 1.907,62 1.799,63 0.185,64 -0.183,65 2.874,66 4.911,67 3343,68 -0.1,69 4.569,70 162.485,71 13.265,72 12.25,73 1.016,74 10.843,75 10.843,76 10.843,77 10.843,78 10.843,79 0.784,80 456,81 3.129,82 109.473,83 54,84 2.423,85 327,86 5.342,87 4.342,88 0.205,89 3.295,90 154,91 2.618,92 0.305,93 1.389,94 3.31,95 5.537,96 5.537,97 32.445,98 2.184,99 -3,100 -3,101 -1.244,102 4.625,103 101.204,104 1.068,105 -0.44,106 4.013,107 4.329,108 4.112,109 7.613,110 3.135,111 3.135,112 22,113 3.807,114 116.584,115 13.68,116 0.001,117 2.739,118 2.739,119 0.887,120 0.184,121 0.642,122 2.626,123 32,124 3.497,125 4.174,126 -1,127 -1,128 154.975,129 2,130 5.559,131 0.535,132 -0.325,133 2.985,134 2.985,135 3.618,136 -0.908,137 7.046}
{0 CHEMBL300220,1 1.592,2 0.664,3 1.25,4 1.581,5 3.487,6 2.783,7 2.395,8 1.586,9 1.198,10 58,11 3.505,12 2.694,13 2.377,14 263.38,15 3.277,16 9.833,17 2.579,18 5.369,19 13.405,20 1.49,21 23.509,22 27.483,23 3.812,24 3.394,25 3.699,26 3.819,27 14.005,28 20.39,29 2.23,30 4.31,31 1.656,32 0.291,33 0.906,34 -1.18,35 2836,36 192.75,37 37,38 79.732,39 4.665,40 2.727,41 2.867,42 4.946,43 481.131,44 5.502,45 7.236,46 0.881,47 39,48 8.19,49 4.171,50 4.222,51 19,52 1.612,53 26.426,54 18.32,55 4652.61,56 2.796,57 2.821,58 4.194,59 4.475,60 1.761,61 1.761,62 1.77,63 0.178,64 -0.564,65 2.859,66 4.804,67 2844,68 -0.335,69 4.185,70 181.995,71 13.525,72 11.75,73 0.928,74 10.309,75 10.309,76 10.309,77 10.309,78 10.309,79 0.477,80 412,81 3.043,82 119.889,83 46,84 2.102,85 260,86 5.234,87 4.367,88 0.207,89 3.345,90 122,91 2.648,92 0.186,93 1.16,94 3.917,95 5.035,96 5.035,97 29.422,98 2.313,99 -2.937,100 -2.937,101 -1.494,102 4.527,103 101.42,104 0.961,105 -0.473,106 3.786,107 4.127,108 4.015,109 7.477,110 3.091,111 3.091,112 21,113 3.761,114 86.439,115 10.648,116 0.002,117 2.55,118 2.55,119 0.928,120 0.112,121 0.5,122 2.626,123 30,124 3.434,125 4.111,126 -1.331,127 -1.331,128 177.995,129 2,130 5.638,131 0.53,132 -0.178,133 2.654,134 2.654,135 3.478,136 -0.875,137 5.796}
{0 CHEMBL300226,1 1.61,2 0.85,3 1.296,4 1.607,5 3.495,6 2.825,7 2.695,8 1.614,9 1.236,10 61.926,11 3.513,12 2.787,13 2.735,14 280.68,15 3.291,16 10.667,17 2.567,18 5.641,19 14.276,20 1.497,21 25.036,22 29.653,23 3.883,24 3.419,25 3.768,26 3.828,27 14.786,28 21.69,29 2.294,30 4.389,31 1.661,32 0.588,33 0.857,34 -1.157,35 3243,36 212.877,37 40,38 85.778,39 4.721,40 2.737,41 2.925,42 5.085,43 556.325,44 5.737,45 7.378,46 1.024,47 42,48 8.578,49 4.231,50 4.292,51 20,52 1.626,53 28.188,54 19.217,55 5489.09,56 2.854,57 2.86,58 4.417,59 4.569,60 1.77,61 1.77,62 1.774,63 0.169,64 -0.44,65 3.083,66 4.947,67 3231,68 -0.157,69 4.389,70 189.367,71 14.481,72 12.5,73 1.079,74 10.744,75 10.744,76 10.744,77 10.744,78 10.744,79 0.679,80 468,81 3.092,82 124.122,83 51,84 2.228,85 306,86 5.274,87 4.472,88 0.2,89 3.398,90 144,91 2.863,92 0.273,93 1.212,94 4.154,95 5.305,96 5.305,97 30.838,98 2.48,99 -2.99,100 -2.99,101 -1.5,102 4.58,103 108.894,104 1.139,105 -0.226,106 4.148,107 4.501,108 4.072,109 7.647,110 3.135,111 3.135,112 22,113 3.807,114 79.949,115 12.34,116 0.002,117 2.749,118 2.749,119 0.978,120 0.238,121 0.542,122 2.715,123 32,124 3.497,125 4.174,126 -1.075,127 -1.075,128 185.367,129 6,130 5.731,131 0.801,132 -0.153,133 2.793,134 2.793,135 3.517,136 -0.521,137 7.555}
{0 CHEMBL300315,1 1.575,2 0.868,3 1.355,4 1.574,5 3.739,6 2.922,7 2.75,8 1.563,9 1.292,11 3.781,12 2.878,13 2.76,14 297.3,15 3.639,16 11.667,17 2.944,18 6.647,19 16.518,20 2.587,21 28.326,22 33.583,23 3.972,24 3.648,25 3.863,26 3.905,27 17.322,28 24.752,29 2.883,30 4.398,31 1.775,32 0.186,33 0.908,34 -0.199,35 5694,36 233.329,37 43,38 111.436,39 4.917,40 2.821,41 2.968,42 4.926,43 869.981,44 6.52,45 7.903,46 1.018,47 46,48 11.252,49 4.532,50 4.56,51 24,52 1.676,53 30.176,54 22.859,55 10029.5,56 2.908,57 2.94,58 5.25,59 4.548,60 1.865,61 1.865,62 1.874,63 0.169,64 0.401,65 3.113,66 4.894,67 6025,68 0.538,69 5.176,70 225.329,71 15.584,72 15,73 1.062,74 13.337,75 13.337,76 13.337,77 13.337,78 13.337,79 0.972,80 834,81 3.574,82 152.8,83 71,84 2.27,85 435,86 5.412,87 4.663,88 0.173,89 3.499,90 197,91 2.796,92 0.37,93 1.503,94 4.234,95 5.208,96 5.208,97 38.523,98 2.702,99 -0.982,100 -0.982,101 -0.482,102 4.83,103 200.868,104 1.109,105 0.702,106 4.547,107 4.771,108 4.272,109 9.802,110 3.332,111 3.332,112 27,113 4.007,114 140.418,115 16.854,117 2.891,118 2.891,119 1.838,120 0.749,121 0.574,122 2.769,123 38,124 3.664,125 4.344,126 -0.385,127 -0.385,128 217.329,129 4,130 5.762,131 1.52,132 0.535,133 3.506,134 3.506,135 4.628,136 1.349,137 7.367}
{0 CHEMBL300511,1 1.833,2 0.891,3 1.612,4 1.804,5 3.802,6 3.166,7 2.855,8 1.774,9 1.555,10 100.287,11 3.835,12 3.083,13 2.868,14 353.96,15 3.683,16 14.667,17 3.431,18 7.638,19 19.836,20 2.538,21 32.697,22 42.6,23 4.157,24 3.68,25 4.048,26 3.974,27 19.94,28 30.667,29 3.414,30 4.633,31 2.37,32 0.644,33 0.843,34 0.392,35 9386,36 296.423,37 52,38 140.449,39 5.149,40 3.398,41 3.244,42 5.327,43 1368.16,44 7.556,45 8.296,46 1.171,47 55,48 12.919,49 4.723,50 4.776,51 28,52 1.708,53 34.205,54 26.659,55 17893.4,56 3.135,57 3.005,58 6.139,59 4.793,60 2.409,61 2.409,62 1.867,63 0.13,64 0.806,65 3.21,66 5.789,67 9776,68 0.953,69 6.666,70 262.913,71 18.95,72 17.75,73 1.183,74 15.166,75 15.166,76 15.166,77 15.166,78 15.166,79 1.05,80 1178,81 3.885,82 171.668,83 112,84 2.914,85 676,86 5.757,87 4.748,88 0.142,89 3.599,90 312,91 2.898,92 0.336,93 1.783,94 5.114,95 7.75,96 7.75,97 45.95,98 3.179,99 -0.087,100 -0.087,101 -0.045,102 4.984,103 266.378,104 1.214,105 1.5,106 4.633,107 4.917,108 4.471,109 10.721,110 3.466,111 3.466,112 31,113 4.143,114 130.992,115 26.577,117 3.139,118 3.139,119 2.5,120 1.218,121 0.726,122 2.876,123 45,124 3.829,125 4.511,126 -0.04,127 -0.04,128 252.913,129 8,130 6.136,131 2,132 1,133 3.471,134 3.471,135 4.927,136 2.275,137 6.432}
{0 CHEMBL300548,1 1.753,2 1.052,3 1.561,4 1.727,5 3.764,6 3.116,7 2.921,8 1.725,9 1.521,11 3.793,12 3.049,13 2.935,14 407.5,15 3.716,16 14.667,17 4.052,18 8.743,19 20.665,20 2.794,21 37.143,22 41.74,23 4.252,24 3.808,25 4.141,26 3.965,27 22.388,28 31.09,29 3.414,30 4.749,31 2.241,32 0.565,33 0.864,34 0.65,35 11518,36 339.763,37 58,38 153.605,39 5.088,40 3.284,41 3.251,42 5.54,43 1596.89,44 8.563,45 8.498,46 1.245,47 62,48 13.593,49 4.848,50 4.876,51 30,52 1.727,53 41.233,54 28.233,55 21780.2,56 3.168,57 3.193,58 6.5,59 4.915,60 2.344,61 2.344,62 1.837,63 0.116,64 1.121,65 3.375,66 5.309,67 12466,68 1.3,69 6.88,70 307.008,71 20.411,72 18.5,73 1.275,74 16.724,75 16.724,76 16.724,77 16.724,78 16.724,79 1.379,80 1436,81 4.12,82 191.768,83 123,84 2.915,85 798,86 5.636,87 4.887,88 0.129,89 3.805,90 357,91 3.165,92 0.394,93 2.105,94 5.826,95 6.769,96 6.769,97 48.84,98 3.74,99 0.823,100 0.823,101 0.355,102 5.037,103 324.044,104 1.316,105 1.5,106 4.822,107 5.105,108 4.529,109 11.896,110 3.555,111 3.555,112 34,113 4.234,114 135.236,115 29.582,117 3.056,118 3.056,119 2.5,120 1.298,121 0.747,122 2.957,123 49,124 3.912,125 4.595,126 0.322,127 0.322,128 291.498,129 6,130 6.106,131 2,132 1,133 3.379,134 3.379,135 5.593,136 2.275,137 6.943}
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{0 CHEMBL327346,1 1.854,2 0.886,3 1.613,4 1.8,5 3.832,6 2.925,7 2.715,8 1.764,9 1.555,10 85.524,11 3.867,12 2.854,13 2.735,14 340.26,15 3.743,16 12.833,17 3.141,18 7.607,19 18.38,20 2.5,21 32.347,22 35.53,23 4.106,24 3.751,25 3.994,26 3.918,27 19.951,28 27.652,29 3.308,30 4.574,31 1.951,32 0.546,33 0.853,34 1,35 8070,36 275.121,37 49,38 131.079,39 4.981,40 3.128,41 3.117,42 5.235,43 1185.37,44 7.087,45 8.233,46 1.062,47 53,48 12.24,49 4.703,50 4.723,51 27,52 1.707,53 35.137,54 25.405,55 14581.4,56 3.05,57 2.915,58 5.778,59 4.733,60 2.224,61 2.224,62 1.851,63 0.129,64 0.83,65 3.136,66 5.139,67 8755,68 1.028,69 5.742,70 248.366,71 17.486,72 17,73 1.107,74 15.314,75 15.314,76 15.314,77 15.314,78 15.314,79 1.117,80 1166,81 3.875,82 159.202,83 88,84 2.689,85 598,86 5.459,87 4.712,88 0.144,89 3.674,90 266,91 2.899,92 0.496,93 1.841,94 4.59,95 6.106,96 6.106,97 44.611,98 3.127,99 0.277,100 0.277,101 0.114,102 4.965,103 228.404,104 1.181,105 1.391,106 4.616,107 4.844,108 4.409,109 10.861,110 3.466,111 3.466,112 31,113 4.143,114 149.467,115 22.96,117 3.059,118 3.059,119 2.42,120 1,121 0.693,122 2.877,123 45,124 3.829,125 4.511,126 0.101,127 0.101,128 241.611,129 8,130 5.773,131 2,132 1,133 3.393,134 3.393,135 5.184,136 2.275,137 5.383}
{0 CHEMBL327432,1 1.611,2 0.886,3 1.301,4 1.573,5 3.729,6 2.925,7 2.715,8 1.623,9 1.218,10 62.144,11 3.83,12 2.854,13 2.735,14 255.92,15 3.455,16 10.167,17 2.121,18 6.155,19 14.397,20 2.15,21 25.321,22 27.717,23 3.992,24 3.4,25 3.845,26 3.859,27 15.552,28 23,29 2.869,30 4.443,31 1.873,32 0.56,33 0.854,34 -0.409,35 3846,36 226.477,37 42,38 91.629,39 4.821,40 2.896,41 3.098,42 5.177,43 620.46,44 5.009,45 7.521,46 1.062,47 45,48 9.864,49 4.334,50 4.364,51 21,52 1.64,53 27.12,54 20.089,55 6325.26,56 3.004,57 2.875,58 4.5,59 4.646,60 1.918,61 1.918,62 1.769,63 0.157,64 -0.075,65 3.062,66 5.049,67 4058,69 4.488,70 202.968,71 13.117,72 13.25,73 1.107,74 11.843,75 11.843,76 11.843,77 11.843,78 11.843,79 0.593,80 527,81 3.296,82 135.722,83 55,84 2.244,85 341,86 5.279,87 4.51,88 0.184,89 3.372,90 153,91 2.794,92 0.246,93 1.508,94 3.129,95 5.843,96 5.843,97 35.575,98 2.684,99 -2.778,100 -2.778,101 -1.123,102 4.689,103 110.363,104 1.181,105 0.093,106 4.178,107 4.523,108 4.218,109 8.365,110 3.219,111 3.219,112 24,113 3.892,114 140.961,115 12.862,116 0.002,117 2.778,118 2.778,119 1.268,120 0.294,121 0.684,122 2.789,123 35,124 3.584,125 4.263,126 -1,127 -1,128 194.968,129 6,130 5.62,131 1.065,132 0.081,133 3.074,134 3.074,135 3.975,136 0.217,137 4.488}
{0 CHEMBL327908,1 1.575,2 0.842,3 1.27,4 1.555,5 3.729,6 2.78,7 2.599,8 1.623,9 1.184,10 62.144,11 3.829,12 2.734,13 2.621,14 253.83,15 3.455,16 10.167,17 2.203,18 5.897,19 14.397,20 2.15,21 24.622,22 27.717,23 3.926,24 3.398,25 3.789,26 3.839,27 15.338,28 22.786,29 2.869,30 4.383,31 1.871,32 0.481,33 0.863,34 -0.409,35 3846,36 206.131,37 39,38 91.629,39 4.801,40 2.895,41 2.925,42 5.086,43 620.46,44 5.166,45 7.521,46 1.037,47 42,48 9.555,49 4.334,50 4.364,51 21,52 1.64,53 26.216,54 20.089,55 6325.26,56 2.854,57 2.864,58 4.5,59 4.57,60 1.918,61 1.918,62 1.769,63 0.157,64 -0.126,65 3.05,66 5.049,67 4058,69 4.488,70 187.376,71 13.382,72 13.5,73 1.085,74 11.843,75 11.843,76 11.843,77 11.843,78 11.843,79 0.362,80 527,81 3.296,82 133.27,83 55,84 2.244,85 341,86 5.281,87 4.433,88 0.184,89 3.341,90 153,91 2.735,92 0.246,93 1.429,94 3.292,95 5.843,96 5.843,97 34.756,98 2.47,99 -2.778,100 -2.778,101 -1.123,102 4.689,103 110.363,104 1.145,105 0.093,106 3.926,107 4.239,108 4.182,109 8.365,110 3.219,111 3.219,112 24,113 3.892,114 132.45,115 12.862,116 0.001,117 2.778,118 2.778,119 1.268,120 0.474,121 0.635,122 2.715,123 35,124 3.584,125 4.263,126 -1,127 -1,128 183.376,129 6,130 5.582,131 1.029,132 0.073,133 3.074,134 3.074,135 3.975,136 0.217,137 4.759}
{0 CHEMBL32797,1 1.733,2 0.791,3 1.514,4 1.71,5 3.695,6 2.863,7 2.649,8 1.69,9 1.451,11 3.745,12 2.787,13 2.671,14 276.39,15 3.576,16 10.25,17 2.026,18 6.169,19 14.449,20 2.198,21 26.117,22 27.779,23 3.916,24 3.584,25 3.797,26 3.858,27 15.689,28 21.786,29 2.808,30 4.394,31 1.615,32 0.506,33 0.86,34 -0.659,35 3802,36 219.66,37 41,38 91.375,39 4.717,40 2.699,41 2.925,42 5.08,43 622.422,44 4.859,45 7.515,46 0.974,47 44,48 9.777,49 4.324,50 4.365,51 21,52 1.639,53 28.478,54 20.023,55 6237.5,56 2.849,57 2.715,58 4.458,59 4.567,60 1.754,61 1.754,62 1.757,63 0.172,65 2.854,66 4.893,67 4005,68 0.109,69 4.452,70 196.905,71 13.358,72 13,73 1.023,74 11.832,75 11.832,76 11.832,77 11.832,78 11.832,79 0.627,80 484,81 3.247,82 119.885,83 56,84 2.258,85 344,86 5.239,87 4.452,88 0.198,89 3.457,90 154,91 2.688,92 0.252,93 1.429,94 3.091,95 5.253,96 5.253,97 35.643,98 2.675,99 -2.218,100 -2.218,101 -1.071,102 4.718,103 125.531,104 1.103,105 -0.166,106 4.135,107 4.45,108 4.226,109 8.228,110 3.219,111 3.219,112 24,113 3.892,114 110.097,115 12.717,116 0.002,117 2.809,118 2.809,119 1.09,120 0.363,121 0.53,122 2.67,123 36,124 3.611,125 4.29,126 -0.889,127 -0.889,128 188.905,129 5,130 5.584,131 0.75,132 -0.108,133 3.134,134 3.134,135 3.86,136 -0.338,137 8.42}
{0 CHEMBL328114,1 1.775,2 1.153,3 1.583,4 1.768,5 3.834,6 3.206,7 2.91,8 1.764,9 1.541,11 3.891,12 3.111,13 2.941,14 421.8,15 3.671,16 15.833,17 4.943,18 9.099,19 22.623,20 2.797,21 39.299,22 48.312,23 4.376,24 3.66,25 4.265,26 3.929,27 24.003,28 36.667,29 3.414,30 4.848,31 2.249,32 0.774,33 0.837,34 1.045,35 17120,36 384,37 64,38 179.225,39 5.282,40 3.349,41 3.312,42 5.424,43 2140.23,44 10.266,45 8.737,46 1.376,47 68,48 15.419,49 4.999,50 5.009,51 33,52 1.745,53 41.495,54 31.476,55 33716.8,56 3.247,57 3.041,58 7.389,59 5.025,60 2.413,61 2.413,62 1.975,63 0.113,64 1.404,65 3.266,66 5.341,67 18494,68 1.833,69 8.707,70 332.49,71 22.417,72 22.25,73 1.429,74 18.178,75 18.178,76 18.178,77 18.178,78 18.178,79 1.51,80 2042,81 4.599,82 210.592,83 172,84 3.392,85 1118,86 5.761,87 5.053,88 0.123,89 3.753,90 506,91 2.957,92 0.404,93 1.974,94 6.974,95 6.965,96 6.965,97 51.663,98 3.801,99 2.136,100 2.136,101 1,102 5.081,103 382.424,104 1.513,105 1.497,106 4.971,107 5.223,108 4.53,109 13.689,110 3.638,111 3.638,112 37,113 4.317,114 174.786,115 44.944,117 2.888,118 2.888,119 2.5,120 1.634,121 0.905,122 2.969,123 51,124 3.951,125 4.635,126 0.913,127 0.913,128 319.735,129 9,130 6.051,131 2.058,132 1.054,133 3.481,134 3.481,135 6.364,136 2.366,137 6.506}
{0 CHEMBL328210,1 1.694,2 0.886,3 1.43,4 1.687,5 3.767,6 2.945,7 2.715,8 1.692,9 1.376,10 66.36,11 3.811,12 2.854,13 2.735,14 277.31,15 3.548,16 11,17 2.347,18 6.486,19 15.267,20 2.188,21 27.047,22 29.589,23 4.031,24 3.499,25 3.901,26 3.862,27 16.358,28 24.267,29 2.87,30 4.511,31 2.069,32 0.628,33 0.847,34 -0.409,35 4337,36 247.133,37 45,38 97.865,39 4.849,40 3.092,41 3.135,42 5.214,43 697.163,44 5.292,45 7.656,46 1.062,47 48,48 10.273,49 4.388,50 4.43,51 22,52 1.654,53 29.086,54 20.946,55 7349.97,56 3.039,57 2.878,58 4.667,59 4.706,60 2.109,61 2.109,62 1.772,63 0.153,65 3.13,66 5.076,67 4543,68 0.206,69 4.662,70 218.869,71 14.109,72 14.25,73 1.107,74 12.326,75 12.326,76 12.326,77 12.326,78 12.326,79 0.893,80 622,81 3.351,82 133.668,83 59,84 2.368,85 375,86 5.351,87 4.677,88 0.177,89 3.44,90 170,91 2.868,92 0.377,93 1.62,94 3.394,95 6.106,96 6.106,97 37.419,98 2.918,99 -1.864,100 -1.864,101 -0.889,102 4.734,103 116.873,104 1.181,105 0.126,106 4.503,107 4.822,108 4.275,109 8.501,110 3.258,111 3.258,112 25,113 3.932,114 124.417,115 14.322,116 0.001,117 2.779,118 2.779,119 1.283,120 0.333,121 0.671,122 2.84,123 37,124 3.638,125 4.317,126 -0.776,127 -0.776,128 210.869,129 8,130 5.679,131 1.101,132 0.111,133 3.159,134 3.159,135 4.054,136 0.31,137 6.597}
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{0 CHEMBL36064,1 1.635,2 0.836,3 1.363,4 1.57,5 3.712,6 2.89,7 2.636,8 1.539,9 1.302,11 3.763,12 2.8,13 2.659,14 278.48,15 3.594,16 9.917,17 2.029,18 6.538,19 14.286,20 2.444,21 26.816,22 27.684,23 3.982,24 3.605,25 3.853,26 3.851,27 15.945,28 22,29 2.846,30 4.454,31 1.581,32 0.517,33 0.863,34 -0.786,35 3735,36 240.215,37 44,38 90.929,39 4.733,40 2.587,41 2.925,42 5.194,43 607.04,44 4.995,45 7.529,46 1.049,47 47,48 10.192,49 4.34,50 4.366,51 21,52 1.641,53 29.381,54 19.953,55 6113.38,56 2.854,57 2.81,58 4.542,59 4.641,60 1.596,61 1.596,62 1.849,63 0.172,64 0.076,65 3.006,66 4.375,67 3956,68 0.144,69 4.317,70 211.46,71 13.092,72 12.75,73 1.093,74 11.866,75 11.866,76 11.866,77 11.866,78 11.866,79 0.798,80 448,81 3.255,82 118.344,83 56,84 2.213,85 328,86 5.232,87 4.588,88 0.198,89 3.485,90 147,91 2.735,92 0.148,93 1.414,94 3.114,95 3.733,96 3.733,97 35.867,98 2.944,99 -2.084,100 -2.084,101 -0.983,102 4.7,103 156.438,104 1.159,105 0.025,106 4.316,107 4.65,108 4.232,109 8.641,110 3.219,111 3.219,112 24,113 3.892,114 118.607,115 12.317,116 0.003,117 2.419,118 2.419,119 1.103,120 0.168,121 0.584,122 2.715,123 35,124 3.584,125 4.263,126 -0.851,127 -0.851,128 195.85,129 5,130 5.633,131 1.006,132 0.023,133 3.082,134 3.082,135 4.069,136 0.058,137 7.979}
{0 CHEMBL36074,1 1.961,2 1.085,3 1.824,4 1.926,5 3.822,6 3.122,7 2.91,8 1.905,9 1.785,11 3.864,12 3.058,13 2.941,14 414.83,15 3.743,16 14.333,17 6.404,18 8.803,19 20.598,20 2.5,21 37.955,22 47.318,23 4.269,24 3.753,25 4.149,26 3.938,27 22.374,28 30.924,29 3.247,30 4.718,31 1.983,32 1.2,33 0.763,34 1,35 13057,36 354.413,37 60,38 158.098,39 5.084,40 3.139,41 3.206,42 5.383,43 1695.92,44 11.079,45 8.483,46 1.241,47 63,48 13.831,49 4.873,50 4.879,51 30,52 1.724,53 42.54,54 29.09,55 25221.4,56 3.111,57 3.088,58 6.722,59 4.893,60 2.238,61 2.238,62 1.925,63 0.113,64 1.185,65 3.218,66 5.08,67 13949,68 1.604,69 8.017,70 282.413,71 21.54,72 17.75,73 1.282,74 16.347,75 16.347,76 16.347,77 16.347,78 16.347,79 1.649,80 1536,81 4.389,82 172.298,83 147,84 3.061,85 885,86 5.573,87 5.039,88 0.129,89 3.812,90 406,91 3.031,92 0.368,93 1.696,94 7.955,95 6.223,96 6.223,97 45.521,98 3.794,99 1.598,100 1.598,101 0.734,102 4.959,103 462.613,104 1.334,105 1.5,106 4.958,107 5.228,108 4.379,109 12.826,110 3.526,111 3.526,112 33,113 4.205,114 165.521,115 33.227,117 2.788,118 2.788,119 2.5,120 1,121 0.756,122 2.951,123 43,124 3.784,125 4.466,126 0.643,127 0.643,128 271.394,129 6,130 5.814,131 2,132 1,133 3.298,134 3.298,135 6.168,136 2.275,137 5.939}
{0 CHEMBL360834,1 1.613,2 0.886,3 1.356,4 1.599,5 3.682,6 2.925,7 2.697,8 1.546,9 1.283,11 3.742,12 2.854,13 2.728,14 320.99,15 3.483,16 12.333,17 5.256,18 6.054,19 16.113,20 2,21 28.094,22 42.122,23 4.028,24 3.493,25 3.897,26 3.761,27 16.112,28 25.419,29 2.209,30 4.491,31 1.71,32 0.857,33 0.824,34 -0.878,35 4704,36 261.066,37 47,38 101.706,39 4.837,40 2.822,41 3.009,42 5.216,43 775.47,44 8.347,45 7.619,46 1.062,47 48,48 9.399,49 4.365,50 4.427,51 22,52 1.647,53 31.108,54 21.768,55 8723.91,56 2.874,57 2.917,58 4.917,59 4.703,60 1.903,61 1.903,62 1.852,63 0.16,64 -0.1,65 3.127,66 4.786,67 4555,69 5.669,70 220.801,71 17.803,72 13.5,73 1.115,74 11.305,75 11.305,76 11.305,77 11.305,78 11.305,79 0.914,80 728,81 3.369,82 146.072,83 71,84 2.704,85 411,86 5.333,87 4.637,88 0.183,89 3.474,90 203,91 2.735,92 0.359,93 1.235,94 6.755,95 5.232,96 5.232,97 31.414,98 2.719,99 -2.198,100 -2.198,101 -1,102 4.57,103 147.889,104 1.191,105 -0.263,106 4.562,107 4.816,108 4.026,109 8.492,110 3.178,111 3.178,112 23,113 3.85,114 89.279,115 18.645,116 0.001,117 2.484,118 2.484,119 0.975,120 0.541,121 0.662,122 2.715,123 31,124 3.466,125 4.143,126 -1,127 -1,128 220.801,129 2,130 5.676,131 0.674,132 -0.19,133 2.99,134 2.99,135 4.017,136 -0.546,137 7.569}
{0 CHEMBL36089,1 1.508,2 0.658,3 1.21,4 1.447,5 3.566,6 2.739,7 2.495,8 1.409,9 1.131,11 3.651,12 2.67,13 2.487,14 244.34,15 3.39,16 9.333,17 3.523,18 4.704,19 12.795,20 1.128,21 21.756,22 30.642,23 3.681,24 3.394,25 3.558,26 3.791,27 12.799,28 17.967,29 1.556,30 4.023,31 1.33,32 0.205,33 0.903,34 -1.5,35 2559,36 166.465,37 33,38 75.445,39 4.642,40 2.364,41 2.848,42 4.422,43 443.556,44 6.48,45 7.067,46 0.861,47 34,48 8.069,49 4.116,50 4.139,51 18,52 1.595,53 23.694,54 17.874,55 4296.82,56 2.766,57 2.643,58 4.222,59 4.203,60 1.414,61 1.414,62 1.777,63 0.21,64 -0.671,65 2.828,66 3.548,67 2479,68 -0.34,69 4.437,70 159.71,71 13.001,72 10.5,73 0.899,74 9.38,75 9.38,76 9.38,77 9.38,78 9.38,79 0.561,80 424,81 3.032,82 106.816,83 44,84 2.171,85 237,86 5.025,87 4.257,88 0.231,89 3.211,90 116,91 2.629,92 0.189,93 1.124,94 4.68,95 2.875,96 2.875,97 25.447,98 1.863,99 -2.811,100 -2.811,101 -1.601,102 4.454,103 122.682,104 0.942,105 -0.979,106 3.96,107 4.294,108 3.803,109 7.847,110 2.996,111 2.996,112 19,113 3.664,114 142.339,115 11.556,116 0.002,117 2.153,118 2.153,119 0.689,120 -0.707,121 0.434,122 2.611,123 24,124 3.219,125 3.892,126 -1.269,127 -1.269,128 157.71,129 2,130 5.095,131 0.225,132 -0.696,133 2.81,134 2.81,135 3.699,136 -1.613,137 6.046}
{0 CHEMBL36095,1 1.538,2 0.825,3 1.302,4 1.491,5 3.636,6 2.879,7 2.57,8 1.467,9 1.241,11 3.72,12 2.802,13 2.618,14 265.38,15 3.449,16 10.667,17 3.78,18 5.205,19 14.372,20 2.5,21 23.752,22 36.108,23 3.79,24 3.444,25 3.663,26 3.808,27 14.018,28 20.3,29 2,30 4.139,31 1.478,32 0.744,33 0.804,34 -1.093,35 3488,36 192.75,37 37,38 88.165,39 4.821,40 2.496,41 2.925,42 4.735,43 595.837,44 6.655,45 7.361,46 1.015,47 38,48 9.463,49 4.255,50 4.288,51 20,52 1.624,53 25.347,54 19.819,55 6190.94,56 2.854,57 2.715,58 4.639,59 4.34,60 1.525,61 1.525,62 1.84,63 0.189,64 -0.1,65 2.874,66 4.065,67 3377,68 -0.026,69 4.996,70 165.24,71 13.991,72 12,73 1.05,74 10.309,75 10.309,76 10.309,77 10.309,78 10.309,79 0.893,80 582,81 3.211,82 118.711,83 55,84 2.484,85 323,86 5.136,87 4.423,88 0.209,89 3.267,90 159,91 2.665,92 0.267,93 1.044,94 4.655,95 3.555,96 3.555,97 29.452,98 2.065,99 -2.347,100 -2.347,101 -1.5,102 4.625,103 142.439,104 1.084,105 -0.86,106 4.372,107 4.696,108 3.964,109 8.289,110 3.091,111 3.091,112 21,113 3.761,114 183.64,115 15.61,116 0.001,117 2.347,118 2.347,119 0.925,120 -0.009,121 0.514,122 2.645,123 27,124 3.332,125 4.007,126 -1,127 -1,128 162.485,129 4,130 5.392,131 0.4,132 -0.558,133 2.99,134 2.99,135 3.872,136 -1.145,137 4.553}
{0 CHEMBL361268,1 1.89,2 0.926,3 1.779,4 1.897,5 3.808,6 3.021,7 2.763,8 1.879,9 1.738,11 3.841,12 2.938,13 2.788,14 392.52,15 3.743,16 14.333,17 4.054,18 8.579,19 20.501,20 2.781,21 36.546,22 41.497,23 4.226,24 3.753,25 4.111,26 3.934,27 22.147,28 30.971,29 3.301,30 4.691,31 2.173,32 0.857,33 0.81,34 1.223,35 11013,36 325.212,37 56,38 152.271,39 5.072,40 3.278,41 3.055,42 5.379,43 1553.47,44 8.721,45 8.52,46 1.126,47 60,48 13.943,49 4.859,50 4.875,51 30,52 1.731,53 39.625,54 27.996,55 20916.5,56 2.982,57 3.097,58 6.528,59 4.858,60 2.278,61 2.278,62 1.905,63 0.115,64 1.171,65 3.245,66 5.247,67 11888,68 1.616,69 6.515,70 277.212,71 20.081,72 19,73 1.146,74 16.808,75 16.808,76 16.808,77 16.808,78 16.808,79 1.458,80 1400,81 4.108,82 166.14,83 117,84 2.889,85 728,86 5.579,87 5.231,88 0.128,89 3.764,90 327,91 2.856,92 0.549,93 1.783,94 5.837,95 6.4,96 6.4,97 48.517,98 3.562,99 1.592,100 1.592,101 0.695,102 5.034,103 434.951,104 1.181,105 1.5,106 4.923,107 5.223,108 4.479,109 12.312,110 3.555,111 3.555,112 34,113 4.234,114 156.955,115 29.556,117 3.147,118 3.147,119 2.5,120 1.31,121 0.735,122 2.847,123 48,124 3.892,125 4.575,126 0.632,127 0.632,128 265.702,129 5,130 5.877,131 2.087,132 1.067,133 3.298,134 3.298,135 5.861,136 2.88,137 5.095}
{0 CHEMBL362565,1 1.856,2 0.961,3 1.614,4 1.808,5 3.831,6 3.232,7 2.877,8 1.786,9 1.559,10 116.093,11 3.865,12 3.136,13 2.899,14 409.48,15 3.747,16 16.25,17 4.941,18 8.267,19 22.01,20 2.667,21 36.656,22 49.494,23 4.226,24 3.761,25 4.14,26 4.028,27 22.274,28 34.067,29 3.414,30 4.75,31 2.033,32 0.575,33 0.861,34 1.149,35 12662,36 332.475,37 57,38 161.713,39 5.132,40 3.113,41 3.247,42 5.362,43 1736.45,44 9.516,45 8.606,46 1.234,47 60,48 12.982,49 4.87,50 4.926,51 31,52 1.737,53 39.176,54 29.23,55 25060.6,56 3.177,57 3.145,58 6.708,59 4.889,60 2.216,61 2.216,62 1.858,63 0.138,64 0.99,65 3.296,66 5.095,67 13309,68 1.26,69 7.243,70 299.72,71 22.629,72 19.5,73 1.229,74 16.745,75 16.745,76 16.745,77 16.745,78 16.745,79 1.327,80 1732,81 4.18,82 193.174,83 132,84 2.958,85 837,86 5.966,87 4.968,88 0.142,89 3.743,90 386,91 3.029,92 0.495,93 1.907,94 6.946,95 6.106,96 6.106,97 48.383,98 3.466,99 0.919,100 0.919,101 0.407,102 5.056,103 308.446,104 1.181,105 1.5,106 4.875,107 5.117,108 4.492,109 12.032,110 3.555,111 3.555,112 34,113 4.234,114 128.578,115 30.891,117 3.053,118 3.053,119 2.5,120 1.261,121 0.769,122 3.014,123 49,124 3.912,125 4.595,126 0.38,127 0.38,128 292.965,129 6,130 6.235,131 2.109,132 1.095,133 3.33,134 3.33,135 5.677,136 2.616,137 6.648}
{0 CHEMBL36260,1 1.646,2 0.739,3 1.325,4 1.603,5 3.541,6 2.782,7 2.58,8 1.569,9 1.238,11 3.61,12 2.709,13 2.598,14 238.94,15 3.397,16 8.667,17 2.098,18 5.411,19 12.372,20 1.561,21 22.763,22 25.507,23 3.804,24 3.41,25 3.673,26 3.831,27 13.392,28 18.7,29 2.106,30 4.223,31 1.322,32 0.453,33 0.866,34 -1.34,35 2548,36 192.75,37 37,38 74.288,39 4.62,40 2.322,41 2.868,42 4.842,43 439.227,44 4.951,45 7.062,46 0.93,47 39,48 8.815,49 4.128,50 4.142,51 18,52 1.593,53 24.858,54 17.601,55 4018.31,56 2.798,57 2.715,58 4.111,59 4.406,60 1.323,61 1.323,62 1.724,63 0.199,64 -0.475,65 2.854,66 3.766,67 2596,68 -0.01,69 4.18,70 169.995,71 11.491,72 10.5,73 0.978,74 9.83,75 9.83,76 9.83,77 9.83,78 9.83,79 0.444,80 328,81 3.039,82 100.407,83 45,84 2.261,85 268,86 5.058,87 4.198,88 0.222,89 3.308,90 124,91 2.682,92 0.095,93 1.244,94 3.161,95 2.958,96 2.958,97 29.229,98 2.34,99 -2.347,100 -2.347,101 -1.5,102 4.5,103 121.28,104 1.055,105 -0.705,106 3.698,107 4.023,108 3.993,109 7.666,110 3.045,111 3.045,112 20,113 3.714,114 126.319,115 10.494,116 0.005,117 2.356,118 2.356,119 0.718,120 -0.402,121 0.484,122 2.662,123 27,124 3.332,125 4.007,126 -1,127 -1,128 154.385,130 5.341,131 0.412,132 -0.581,133 2.458,134 2.458,135 3.532,136 -1.437,137 5.561}
{0 CHEMBL36267,1 1.677,2 0.754,3 1.433,4 1.643,5 3.672,6 2.837,7 2.562,8 1.611,9 1.375,11 3.752,12 2.755,13 2.589,14 278.94,15 3.489,16 10.333,17 4.568,18 5.598,19 14.209,20 1.885,21 24.809,22 36.154,23 3.84,24 3.497,25 3.71,26 3.791,27 14.432,28 20.567,29 2,30 4.207,31 1.397,32 0.481,33 0.865,34 -1.217,35 3607,36 206.131,37 39,38 88.761,39 4.734,40 2.458,41 2.871,42 4.64,43 608.665,44 7.982,45 7.354,46 0.972,47 40,48 9.083,49 4.273,50 4.285,51 20,52 1.623,53 27.216,54 19.998,55 6383.11,56 2.781,57 2.715,58 4.722,59 4.399,60 1.502,61 1.502,62 1.873,63 0.189,64 -0.074,65 2.854,66 3.696,67 3513,68 -0.024,69 5.177,70 187.376,71 14.957,72 11.5,73 0.995,74 10.363,75 10.363,76 10.363,77 10.363,78 10.363,79 0.76,80 616,81 3.285,82 129.562,83 56,84 2.485,85 348,86 5.145,87 4.399,88 0.208,89 3.344,90 170,91 2.697,92 0.229,93 1.179,94 5.97,95 3.219,96 3.219,97 28.059,98 2.488,99 -2.347,100 -2.347,101 -1.5,102 4.522,103 143.452,104 1.008,105 -0.379,106 4.26,107 4.518,108 3.884,109 8.811,110 3.091,111 3.091,112 21,113 3.761,114 147.408,115 15.96,116 0.001,117 2.2,118 2.2,119 0.944,120 0.1,121 0.516,122 2.648,123 26,124 3.296,125 3.97,126 -1,127 -1,128 184.621,129 2,130 5.229,131 0.537,132 -0.196,133 2.883,134 2.883,135 4.184,136 -0.643,137 4.62}
{0 CHEMBL362707,1 1.724,2 0.886,3 1.442,4 1.678,5 3.808,6 2.925,7 2.715,8 1.648,9 1.369,11 3.841,12 2.854,13 2.735,14 306.78,15 3.736,16 10.833,17 2.936,18 7.08,19 15.648,20 2.5,21 29.364,22 31.484,23 4.097,24 3.733,25 3.96,26 3.873,27 17.422,28 24.7,29 3.055,30 4.563,31 1.677,32 1.077,33 0.775,34 -0.507,35 4970,36 275.121,37 49,38 104.405,39 4.839,40 2.698,41 3.034,42 5.312,43 777.822,44 6.466,45 7.789,46 1.062,47 52,48 11.122,49 4.483,50 4.496,51 23,52 1.666,53 32.148,54 21.911,55 8552.58,56 2.938,57 2.893,58 5.056,59 4.765,60 1.723,61 1.723,62 1.905,63 0.145,64 0.239,65 3.108,66 4.549,67 5282,68 0.295,69 4.86,70 222.366,71 14.925,72 14.5,73 1.107,74 12.87,75 12.87,76 12.87,77 12.87,78 12.87,79 1.191,80 747,81 3.496,82 131.927,83 63,84 2.426,85 400,86 5.327,87 4.977,88 0.168,89 3.545,90 181,91 2.766,92 0.406,93 1.557,94 4.196,95 4.465,96 4.465,97 38.054,98 3.133,99 -1.547,100 -1.547,101 -0.714,102 4.736,103 255.482,104 1.181,105 0.711,106 4.729,107 5.066,108 4.239,109 9.657,110 3.296,111 3.296,112 26,113 3.97,114 127.165,115 15.497,116 0.002,117 2.556,118 2.556,119 1.769,120 0.748,121 0.693,122 2.738,123 36,124 3.611,125 4.29,126 -0.705,127 -0.705,128 208.856,129 3,130 5.665,131 1.647,132 0.651,133 2.985,134 2.985,135 4.606,136 1.623,137 4.221}
{0 CHEMBL363189,1 1.859,2 1.01,3 1.614,4 1.804,5 3.765,6 3.163,7 2.842,8 1.775,9 1.559,10 86.883,11 3.791,12 3.08,13 2.859,14 383.43,15 3.708,16 14.167,17 3.376,18 8.272,19 19.957,20 2.725,21 35.486,22 39.892,23 4.219,24 3.732,25 4.112,26 3.974,27 21.514,28 30.6,29 3.414,30 4.709,31 2.275,32 0.598,33 0.856,34 0.582,35 11040,36 325.212,37 56,38 148.213,39 5.08,40 3.346,41 3.178,42 5.331,43 1516.23,44 7.754,45 8.384,46 1.26,47 60,48 13.345,49 4.797,50 4.827,51 29,52 1.715,53 38.461,54 27.677,55 20582.8,56 3.094,57 3.068,58 6.361,59 4.871,60 2.402,61 2.402,62 1.826,63 0.119,64 1.084,65 3.205,66 5.34,67 11930,68 1.247,69 7.112,70 291.702,71 19.115,72 18,73 1.273,74 16.162,75 16.162,76 16.162,77 16.162,78 16.162,79 1.168,80 1285,81 4.121,82 184.114,83 125,84 3.066,85 810,86 5.61,87 4.762,88 0.135,89 3.757,90 361,91 2.95,92 0.354,93 2.104,94 5.111,95 6.873,96 6.873,97 48.263,98 3.462,99 0.593,100 0.593,101 0.374,102 5.017,103 402.1,104 1.286,105 1.5,106 4.65,107 4.899,108 4.52,109 11.516,110 3.526,111 3.526,112 33,113 4.205,114 137.678,115 29.446,117 3.084,118 3.084,119 2.5,120 1.461,121 0.735,122 2.922,123 48,124 3.892,125 4.575,126 0.353,127 0.353,128 276.192,129 7,130 5.987,131 2,132 1,133 3.418,134 3.418,135 5.309,136 2.275,137 7.208}
{0 CHEMBL363581,1 1.684,2 0.861,3 1.418,4 1.634,5 3.731,6 2.939,7 2.612,8 1.601,9 1.356,10 37.573,11 3.786,12 2.874,13 2.618,14 294.55,15 3.58,16 11.5,17 2.8,18 6.291,19 15.974,20 2.372,21 27.575,22 31.477,23 3.967,24 3.583,25 3.862,26 3.807,27 16.802,28 24.648,29 2.704,30 4.448,31 1.901,32 0.5,33 0.864,34 -0.337,35 4741,36 233.329,37 43,38 103.612,39 4.872,40 3.029,41 2.996,42 5.087,43 765.038,44 5.936,45 7.79,46 1.038,47 46,48 10.305,49 4.454,50 4.492,51 23,52 1.667,53 29.659,54 21.67,55 8280.68,56 2.881,57 2.845,58 4.889,59 4.611,60 2.119,61 2.119,62 1.884,63 0.156,64 0.138,65 2.964,66 4.97,67 4917,68 0.3,69 4.709,70 211.82,71 15.193,72 14.5,73 1.085,74 12.897,75 12.897,76 12.897,77 12.897,78 12.897,79 1.093,80 608,81 3.387,82 139.921,83 66,84 2.248,85 367,86 5.413,87 4.605,88 0.173,89 3.497,90 168,91 2.759,92 0.355,93 1.603,94 3.921,95 5.849,96 5.849,97 37.341,98 2.577,99 -1.711,100 -1.711,101 -0.745,102 4.771,103 74.953,104 1.121,105 0.348,106 4.33,107 4.589,108 4.23,109 9.091,110 3.296,111 3.296,112 26,113 3.97,114 109.485,115 16.491,116 0.001,117 2.743,118 2.743,119 1.53,120 0.984,121 0.647,122 2.749,123 38,124 3.664,125 4.344,126 -0.628,127 -0.628,128 207.82,129 3,130 5.7,131 1.159,132 0.246,133 2.92,134 2.92,135 4.386,136 0.74,137 8.569}
{0 CHEMBL363738,1 1.573,2 0.809,3 1.278,4 1.548,5 3.58,6 2.903,7 2.564,8 1.517,9 1.203,11 3.62,12 2.808,13 2.625,14 286.39,15 3.401,16 11,17 4.759,18 5.428,19 14.535,20 1.296,21 25.04,22 36.253,23 3.9,24 3.445,25 3.772,26 3.758,27 14.491,28 22.819,29 2,30 4.345,31 1.705,32 0.604,33 0.861,34 -1.191,35 3562,36 219.66,37 41,38 88.63,39 4.766,40 2.806,41 2.925,42 5.053,43 610.438,44 7.459,45 7.346,46 1.051,47 42,48 8.556,49 4.237,50 4.287,51 20,52 1.621,53 27.586,54 19.912,55 6325.17,56 2.854,57 2.715,58 4.472,59 4.533,60 1.867,61 1.867,62 1.725,63 0.176,64 -0.264,65 2.872,66 4.645,67 3437,69 5.162,70 194.905,71 15.836,72 12,73 1.101,74 10.364,75 10.364,76 10.364,77 10.364,78 10.364,79 0.699,80 542,81 3.202,82 141.056,83 59,84 2.504,85 343,86 5.297,87 4.462,88 0.2,89 3.374,90 169,91 2.735,92 0.328,93 1.213,94 5.906,95 5.069,96 5.069,97 28.613,98 2.352,99 -2.948,100 -2.948,101 -1.322,102 4.483,103 130.726,104 1.126,105 -0.464,106 4.362,107 4.636,108 3.936,109 7.913,110 3.091,111 3.091,112 21,113 3.761,114 102.259,115 15.81,116 0.001,117 2.481,118 2.481,119 0.71,120 0.35,121 0.581,122 2.713,123 28,124 3.367,125 4.043,126 -1,127 -1,128 194.905,129 2,130 5.425,131 0.46,132 -0.326,133 2.71,134 2.71,135 3.79,136 -0.949,137 7.409}
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{0 CHEMBL369098,1 1.619,2 0.89,3 1.447,4 1.61,5 3.698,6 2.925,7 2.715,8 1.615,9 1.42,10 84.458,11 3.716,12 2.854,13 2.735,14 329.78,15 3.637,16 12.833,17 3.101,18 6.888,19 17.552,20 2.5,21 30.26,22 35.913,23 4.044,24 3.669,25 3.944,26 3.919,27 18.295,28 26.986,29 3.265,30 4.545,31 1.872,32 0.5,33 0.868,34 -0.069,35 6636,36 261.066,37 47,38 119.105,39 4.936,40 3.071,41 3.166,42 5.196,43 1012.23,44 6.919,45 7.986,46 1.159,47 50,48 11.074,49 4.565,50 4.614,51 25,52 1.681,53 32.796,54 23.938,55 11947.8,56 3.083,57 2.877,58 5.444,59 4.704,60 2.195,61 2.195,62 1.774,63 0.142,64 0.453,65 3.135,66 5.079,67 6966,68 0.798,69 5.749,70 237.556,71 17.354,72 15.75,73 1.183,74 13.715,75 13.715,76 13.715,77 13.715,78 13.715,79 0.973,80 867,81 3.634,82 157.291,83 85,84 2.663,85 524,86 5.479,87 4.634,88 0.157,89 3.588,90 239,91 2.872,92 0.27,93 1.707,94 4.803,95 6.126,96 6.126,97 39.93,98 2.904,99 -0.545,100 -0.545,101 -0.229,102 4.85,103 144.592,104 1.181,105 1.017,106 4.457,107 4.754,108 4.315,109 9.636,110 3.367,111 3.367,112 28,113 4.043,114 103.459,115 20.653,117 2.826,118 2.826,119 2.146,120 1,121 0.622,122 2.857,123 41,124 3.738,125 4.419,126 -0.209,127 -0.209,128 233.556,129 6,130 5.888,131 1.575,132 0.588,133 3.273,134 3.273,135 4.46,136 1.673,137 6.507}
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{0 CHEMBL369497,1 1.696,2 1.08,3 1.543,4 1.679,5 3.834,6 3.132,7 2.917,8 1.681,9 1.513,10 83.227,11 3.846,12 3.09,13 2.94,14 374.83,15 3.785,16 13.667,17 3.314,18 8.67,19 20.079,20 2.842,21 35.96,22 37.817,23 4.213,24 3.851,25 4.113,26 4.055,27 22.33,28 30.7,29 3.593,30 4.713,31 2.269,32 0.218,33 0.908,34 0.993,35 12110,36 317.975,37 55,38 154.015,39 5.083,40 3.353,41 3.175,42 5.337,43 1598.11,44 7.53,45 8.509,46 1.249,47 60,48 13.97,49 4.868,50 4.879,51 30,52 1.728,53 38.699,54 28.34,55 22073,56 3.094,57 3.18,58 6.361,59 4.857,60 2.406,61 2.406,62 1.78,63 0.124,64 1.463,65 3.34,66 5.697,67 13629,68 1.599,69 6.901,70 301.975,71 18.624,72 19,73 1.274,74 17.329,75 17.329,76 17.329,77 17.329,78 17.329,79 1.371,80 1498,81 4.311,82 189.334,83 123,84 2.889,85 814,86 5.648,87 4.793,88 0.127,89 3.785,90 352,91 2.983,92 0.441,93 2.082,94 4.674,95 7.627,96 7.627,97 51.483,98 3.553,99 1.467,100 1.467,101 0.927,102 5.1,103 358.802,104 1.299,105 1.561,106 4.785,107 4.991,108 4.573,109 12.216,110 3.584,111 3.584,112 35,113 4.263,114 139.904,115 28.524,117 3.343,118 3.343,119 2.548,120 1.379,121 0.702,122 2.976,123 51,124 3.951,125 4.635,126 0.618,127 0.618,128 293.22,129 8,130 5.927,131 2.188,132 1.17,133 3.411,134 3.411,135 5.847,136 2.915,137 5.909}
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{0 CHEMBL370830,1 1.608,2 0.849,3 1.323,4 1.584,5 3.629,6 2.909,7 2.695,8 1.536,9 1.244,11 3.681,12 2.849,13 2.726,14 303.69,15 3.436,16 11.5,17 4.993,18 5.789,19 15.242,20 1.487,21 26.567,22 39.144,23 3.966,24 3.464,25 3.836,26 3.759,27 15.33,28 24.119,29 2,30 4.421,31 1.706,32 0.625,33 0.861,34 -0.88,35 4129,36 240.215,37 44,38 95.226,39 4.791,40 2.812,41 2.925,42 5.099,43 693.8,44 8.183,45 7.485,46 1.06,47 45,48 9.054,49 4.311,50 4.358,51 21,52 1.634,53 29.347,54 20.881,55 7499.58,56 2.854,57 2.855,58 4.806,59 4.622,60 1.88,61 1.88,62 1.794,63 0.168,64 -0.246,65 3.087,66 4.782,67 3994,69 5.452,70 212.705,71 16.819,72 12.75,73 1.107,74 10.775,75 10.775,76 10.775,77 10.775,78 10.775,79 0.806,80 639,81 3.307,82 145.156,83 65,84 2.684,85 388,86 5.299,87 4.553,88 0.191,89 3.425,90 191,91 2.735,92 0.328,93 1.214,94 6.554,95 5.214,96 5.214,97 29.5,98 2.582,99 -2.888,100 -2.888,101 -1.204,102 4.516,103 139.307,104 1.181,105 -0.285,106 4.467,107 4.73,108 3.967,109 8.382,110 3.135,111 3.135,112 22,113 3.807,114 95.769,115 17.537,116 0.001,117 2.483,118 2.483,119 0.975,120 0.541,121 0.621,122 2.715,123 29,124 3.401,125 4.078,126 -1,127 -1,128 212.705,129 2,130 5.538,131 0.667,132 -0.205,133 2.809,134 2.809,135 3.923,136 -0.55,137 8.26}
{0 CHEMBL37121,1 1.532,2 0.763,3 1.271,4 1.476,5 3.633,6 2.846,7 2.57,8 1.441,9 1.205,11 3.718,12 2.764,13 2.618,14 257.57,15 3.441,16 10.167,17 3.916,18 4.957,19 13.665,20 1.303,21 23.085,22 33.262,23 3.764,24 3.437,25 3.64,26 3.792,27 13.471,28 19.886,29 1.831,30 4.129,31 1.383,32 0.542,33 0.848,34 -1.126,35 2951,36 186.117,37 36,38 81.456,39 4.716,40 2.44,41 2.904,42 4.688,43 501.873,44 6.507,45 7.228,46 0.976,47 37,48 8.66,49 4.178,50 4.218,51 19,52 1.611,53 24.961,54 18.767,55 5102.71,56 2.823,57 2.652,58 4.306,59 4.327,60 1.489,61 1.489,62 1.837,63 0.199,64 -0.36,65 2.874,66 4.013,67 2856,68 -0.1,69 4.606,70 166.608,71 13.787,72 11.5,73 1,74 9.898,75 9.898,76 9.898,77 9.898,78 9.898,79 0.771,80 500,81 3.096,82 112.078,83 48,84 2.165,85 252,86 5.116,87 4.42,88 0.219,89 3.252,90 124,91 2.626,92 0.266,93 1.148,94 4.722,95 3.464,96 3.464,97 27.498,98 1.988,99 -2.347,100 -2.347,101 -1.5,102 4.511,103 132.193,104 1.023,105 -0.979,106 4.324,107 4.66,108 3.881,109 7.827,110 3.045,111 3.045,112 20,113 3.714,114 136.294,115 12.825,116 0.001,117 2.254,118 2.254,119 0.693,120 -0.6,121 0.482,122 2.61,123 26,124 3.296,125 3.97,126 -1,127 -1,128 164.608,129 3,130 5.256,131 0.23,132 -0.698,133 2.816,134 2.816,135 3.752,136 -1.697,137 4.959}
{0 CHEMBL371338,1 1.573,2 0.84,3 1.282,4 1.555,5 3.665,6 2.906,7 2.659,8 1.534,9 1.211,11 3.694,12 2.834,13 2.695,14 295.18,15 3.502,16 11.833,17 4.888,18 5.555,19 15.405,20 1.324,21 25.755,22 39.022,23 3.923,24 3.546,25 3.804,26 3.789,27 15.035,28 24.286,29 2,30 4.379,31 1.776,32 0.589,33 0.86,34 -1.098,35 3943,36 226.477,37 42,38 94.312,39 4.822,40 2.897,41 2.925,42 5.096,43 673.17,44 7.501,45 7.499,46 1.053,47 43,48 8.725,49 4.294,50 4.36,51 21,52 1.637,53 28.04,54 20.651,55 7184.24,56 2.854,57 2.785,58 4.639,59 4.559,60 1.94,61 1.94,62 1.77,63 0.168,64 -0.08,65 3.004,66 4.757,67 3794,69 5.171,70 201.722,71 16.627,72 12.75,73 1.104,74 10.864,75 10.864,76 10.864,77 10.864,78 10.864,79 0.709,80 614,81 3.231,82 147.874,83 62,84 2.489,85 360,86 5.377,87 4.585,88 0.191,89 3.399,90 178,91 2.735,92 0.344,93 1.433,94 5.939,95 5.16,96 5.16,97 30.171,98 2.38,99 -2.831,100 -2.831,101 -1.265,102 4.57,103 138.311,104 1.137,105 -0.464,106 4.41,107 4.675,108 3.989,109 8.086,110 3.135,111 3.135,112 22,113 3.807,114 102.259,115 15.986,116 0.001,117 2.509,118 2.509,119 0.967,120 0.377,121 0.603,122 2.715,123 30,124 3.434,125 4.111,126 -1,127 -1,128 201.722,129 2,130 5.783,131 0.464,132 -0.323,133 2.915,134 2.915,135 3.881,136 -0.952,137 6.75}
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{0 CHEMBL411433,1 1.857,2 0.886,3 1.612,4 1.802,5 3.832,6 2.925,7 2.715,8 1.769,9 1.553,10 85.524,11 3.867,12 2.854,13 2.735,14 330.54,15 3.742,16 12.833,17 3.022,18 7.61,19 18.38,20 2.5,21 31.875,22 35.53,23 4.115,24 3.748,25 4.004,26 3.923,27 19.747,28 28.152,29 3.308,30 4.583,31 1.965,32 0.546,33 0.853,34 1,35 8070,36 275.121,37 49,38 131.079,39 5.023,40 3.135,41 3.118,42 5.253,43 1185.37,44 6.866,45 8.233,46 1.062,47 53,48 12.55,49 4.703,50 4.723,51 27,52 1.707,53 33.944,54 25.405,55 14581.4,56 3.051,57 2.913,58 5.778,59 4.746,60 2.224,61 2.224,62 1.855,63 0.129,64 0.838,65 3.136,66 5.139,67 8755,68 1.05,69 5.742,70 248.366,71 17.122,72 17.75,73 1.107,74 15.314,75 15.314,76 15.314,77 15.314,78 15.314,79 1.104,80 1166,81 3.875,82 161.202,83 88,84 2.689,85 598,86 5.515,87 4.72,88 0.144,89 3.614,90 266,91 2.899,92 0.496,93 1.891,94 4.354,95 6.106,96 6.106,97 45.418,98 3.129,99 0.277,100 0.277,101 0.114,102 4.965,103 228.404,104 1.181,105 1.391,106 4.619,107 4.846,108 4.441,109 10.861,110 3.466,111 3.466,112 31,113 4.143,114 158.012,115 22.96,117 3.059,118 3.059,119 2.42,120 1,121 0.693,122 2.877,123 45,124 3.829,125 4.511,126 0.101,127 0.101,128 241.611,129 8,130 5.843,131 2,132 1,133 3.393,134 3.393,135 5.184,136 2.275,137 6.611}
{0 CHEMBL411947,1 1.573,2 0.886,3 1.309,4 1.551,5 3.767,6 2.925,7 2.715,8 1.564,9 1.25,11 3.806,12 2.854,13 2.735,14 327.58,15 3.65,16 13,17 3.941,18 6.856,19 18.096,20 2.5,21 30.373,22 37.928,23 4.019,24 3.648,25 3.915,26 3.917,27 18.686,28 26.619,29 3.27,30 4.461,31 1.922,32 0.595,33 0.841,34 0.062,35 7549,36 247.133,37 45,38 126.294,39 4.979,40 3.089,41 2.925,42 5.101,43 1130.66,44 7.613,45 8.106,46 1.062,47 48,48 11.362,49 4.637,50 4.669,51 26,52 1.693,53 32.534,54 24.926,55 13860.7,56 2.854,57 2.921,58 5.611,59 4.622,60 2.189,61 2.189,62 1.874,63 0.138,64 0.462,65 3.067,66 5.017,67 7950,68 0.616,69 6.046,70 220.379,71 17.873,72 16.75,73 1.107,74 14.313,75 14.313,76 14.313,77 14.313,78 14.313,79 0.903,80 1054,81 3.8,82 157.08,83 91,84 2.844,85 600,86 5.455,87 4.53,88 0.151,89 3.547,90 275,91 2.744,92 0.428,93 1.833,94 5.233,95 5.971,96 5.971,97 40.849,98 2.731,99 -0.469,100 -0.469,101 -0.264,102 4.892,103 244.685,104 1.18,105 1.126,106 4.428,107 4.644,108 4.311,109 10.278,110 3.401,111 3.401,112 29,113 4.078,114 150.734,115 23.041,117 3.015,118 3.015,119 2.211,120 1,121 0.619,122 2.715,123 41,124 3.738,125 4.419,126 -0.211,127 -0.211,128 220.379,129 6,130 5.74,131 1.9,132 0.883,133 3.471,134 3.471,135 4.922,136 2.275,137 5.523}
{0 CHEMBL412263,1 1.961,2 0.976,3 1.824,4 1.926,5 3.854,6 3.04,7 2.76,8 1.905,9 1.791,11 3.902,12 2.939,13 2.781,14 405.49,15 3.743,16 14.5,17 4.452,18 9.287,19 21.045,20 2.676,21 38.66,22 43.603,23 4.342,24 3.753,25 4.216,26 3.928,27 23.116,28 32.867,29 3.3,30 4.797,31 2.237,32 0.964,33 0.802,34 1.486,35 12526,36 376.569,37 63,38 160.315,39 5.163,40 3.278,41 3.283,42 5.533,43 1709.16,44 9.357,45 8.606,46 1.217,47 67,48 15.033,49 4.918,50 4.921,51 31,52 1.738,53 41.887,54 29.051,55 24044,56 3.227,57 3.128,58 6.833,59 4.978,60 2.278,61 2.278,62 1.97,63 0.108,64 1.636,65 3.309,66 5.247,67 13581,68 1.983,69 6.975,70 303.549,71 20.448,72 19.25,73 1.263,74 17.341,75 17.341,76 17.341,77 17.341,78 17.341,79 1.946,80 1558,81 4.273,82 176.607,83 130,84 2.885,85 810,86 5.653,87 5.345,88 0.125,89 3.811,90 364,91 3.111,92 0.502,93 1.763,94 6.172,95 6.4,96 6.4,97 51.125,98 3.961,99 2.136,100 2.136,101 1.186,102 5.04,103 469.272,104 1.337,105 1.5,106 5.177,107 5.495,108 4.525,109 13.136,110 3.584,111 3.584,112 35,113 4.263,114 171.441,115 33.332,117 3.004,118 3.004,119 2.5,120 1.171,121 0.859,122 3.095,123 48,124 3.892,125 4.575,126 1,127 1,128 278.265,129 3,130 6.004,131 2,132 1,133 3.298,134 3.298,135 6.282,136 2.456,137 5.762}
{0 CHEMBL412308,1 1.684,2 0.594,3 1.368,4 1.61,5 3.49,6 2.772,7 2.258,8 1.563,9 1.293,11 3.57,12 2.639,13 2.258,14 229.22,15 3.311,16 9,17 2.309,18 4.977,19 11.707,20 0.825,21 21.311,22 25.89,23 3.838,24 3.323,25 3.68,26 3.674,27 11.973,28 18.6,29 1.339,30 4.265,31 1.413,32 0.639,33 0.855,34 -1.666,35 1823,36 199.421,37 38,38 63.463,39 4.566,40 2.427,41 2.892,42 4.864,43 344.026,44 4.561,45 6.695,46 0.852,47 39,48 7.464,49 3.895,50 3.967,51 16,52 1.554,53 23.625,54 15.863,55 2892.44,56 2.747,57 2.665,58 3.583,59 4.5,60 1.45,61 1.45,62 1.771,63 0.241,64 -0.883,65 2.853,66 4.312,67 1706,68 -0.784,69 4.095,70 175.157,71 11.623,72 9.5,73 0.909,74 8.32,75 8.32,76 8.32,77 8.32,78 8.32,79 0.413,80 192,81 2.742,82 107.608,83 42,84 2.281,85 220,86 5.032,87 4.369,88 0.262,89 3.202,90 108,91 2.481,92 0.144,93 0.948,94 3.313,95 3.976,96 3.976,97 24.717,98 2.569,99 -5.263,100 -5.263,101 -1.9,102 4.297,103 36.815,104 1,105 -1.103,106 3.873,107 4.245,108 3.843,109 6.096,110 2.89,111 2.89,112 17,113 3.555,114 103.044,115 10,116 0.009,117 2.119,118 2.119,120 -0.869,121 0.541,122 2.451,123 24,124 3.219,125 3.892,126 -1.755,127 -1.755,128 175.157,129 4,130 5.269,131 -0.053,132 -0.953,133 2.364,134 2.364,135 2.804,136 -2.613,137 5.602}
{0 CHEMBL413927,1 1.868,2 1.087,3 1.628,4 1.815,5 3.824,6 3.182,7 2.876,8 1.79,9 1.572,10 113.509,11 3.852,12 3.122,13 2.898,14 398.21,15 3.75,16 16.167,17 4.771,18 8.384,19 21.957,20 2.533,21 36.308,22 48.875,23 4.257,24 3.751,25 4.15,26 3.947,27 21.999,28 34.729,29 3.414,30 4.739,31 2.194,32 0.923,33 0.808,34 1.071,35 11177,36 339.763,37 58,38 158.216,39 5.244,40 3.272,41 3.248,42 5.391,43 1605.81,44 9.398,45 8.659,46 1.297,47 61,48 14.277,49 4.877,50 4.924,51 31,52 1.747,53 37.904,54 28.524,55 22574.8,56 3.137,57 3.02,58 6.833,59 4.899,60 2.319,61 2.319,62 1.907,63 0.112,64 1.005,65 3.232,66 5.317,67 11521,68 1.269,69 6.29,70 286.253,71 21.828,72 19.5,73 1.304,74 16.674,75 16.674,76 16.674,77 16.674,78 16.674,79 2.51,80 1680,81 4.076,82 200.302,83 114,84 2.676,85 674,86 5.839,87 5.253,88 0.127,89 3.69,90 316,91 2.981,92 0.899,93 2.104,94 6.618,95 6.502,96 6.502,97 48.354,98 3.488,99 0.664,100 0.664,101 0.39,102 5.024,103 304.906,104 1.301,105 1.401,106 5.302,107 5.539,108 4.495,109 12.118,110 3.555,111 3.555,112 34,113 4.234,114 156.574,115 28.47,117 2.964,118 2.964,119 2.5,120 1.276,121 0.908,122 2.97,123 48,124 3.892,125 4.575,126 0.371,127 0.371,128 282.253,129 10,130 6.088,131 2,132 1,133 3.288,134 3.288,135 5.697,136 2.275,137 6.57}
{0 CHEMBL415,1 1.681,2 0.873,3 1.368,4 1.635,5 3.699,6 2.916,7 2.592,8 1.603,9 1.312,10 46.99,11 3.781,12 2.865,13 2.618,14 299.75,15 3.507,16 11.333,17 3.539,18 6.325,19 15.527,20 2.033,21 27.665,22 34.085,23 4.001,24 3.51,25 3.869,26 3.801,27 16.227,28 23.786,29 2.37,30 4.436,31 1.793,32 0.7,33 0.837,34 -0.7,35 4283,36 247.133,37 45,38 98.611,39 4.811,40 3.005,41 3.009,42 5.127,43 705.527,44 6.823,45 7.655,46 1.025,47 47,48 10.125,49 4.392,50 4.427,51 22,52 1.654,53 30.245,54 21.111,55 7617.05,56 2.874,57 2.826,58 4.861,59 4.643,60 2.091,61 2.091,62 1.885,63 0.169,64 -0.02,65 2.996,66 4.655,67 4298,68 0.15,69 4.832,70 213.624,71 15.541,72 13.75,73 1.068,74 11.869,75 11.869,76 11.869,77 11.869,78 11.869,79 0.913,80 670,81 3.319,82 133.83,83 60,84 2.204,85 348,86 5.284,87 4.643,88 0.186,89 3.458,90 164,91 2.78,92 0.343,93 1.474,94 4.82,95 5.166,96 5.166,97 33.627,98 2.805,99 -2,100 -2,101 -1,102 4.663,103 79.952,104 1.132,106 4.473,107 4.748,108 4.113,109 8.904,110 3.219,111 3.219,112 24,113 3.892,114 116.575,115 15.86,116 0.001,117 2.472,118 2.472,119 1.265,120 0.403,121 0.622,122 2.759,123 33,124 3.526,125 4.205,126 -0.842,127 -0.842,128 207.624,129 6,130 5.595,131 0.931,133 2.806,134 2.806,135 4.245,137 6.101}
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{0 CHEMBL611427,1 1.78,2 0.934,3 1.57,4 1.748,5 3.576,6 3.009,7 2.715,8 1.713,9 1.519,10 83.088,11 3.625,12 2.874,13 2.869,14 364.54,15 3.478,16 13.5,17 3.859,18 7.336,19 17.974,20 2.357,21 32.143,22 41.504,23 4.147,24 3.764,25 4.023,26 3.881,27 18.59,28 27.59,29 2.874,30 4.637,31 1.75,32 0.722,33 0.847,34 -0.189,35 6164,36 303.58,37 53,38 118.538,39 4.948,40 2.775,41 3.166,42 5.369,43 1006.05,44 8.319,45 8.004,46 1.199,47 55,48 11.042,49 4.555,50 4.605,51 25,52 1.686,53 36.233,54 23.804,55 11774.4,56 3.083,57 3.012,58 5.694,59 4.829,60 1.798,61 1.798,62 1.776,63 0.139,64 0.29,65 3.186,66 5.012,67 6090,68 0.621,69 5.603,70 261.315,71 19.059,72 15,73 1.22,74 13.197,75 13.197,76 13.197,77 13.197,78 13.197,79 1.193,80 917,81 3.529,82 166.453,83 81,84 2.677,85 502,86 5.48,87 4.85,88 0.163,89 3.636,90 241,91 2.994,92 0.364,93 1.567,94 6.342,95 5.447,96 5.447,97 38.247,98 3.42,99 -0.703,100 -0.703,101 -0.306,102 4.766,103 148.398,104 1.216,105 0.391,106 4.72,107 5.011,108 4.28,109 9.955,110 3.332,111 3.332,112 27,113 4.007,114 110.261,115 22.656,117 2.811,118 2.811,119 1.493,120 1,121 0.706,122 2.854,123 38,124 3.664,125 4.344,126 -0.288,127 -0.288,128 253.315,129 7,130 5.97,131 1.27,132 0.326,133 2.927,134 2.927,135 4.536,136 0.669,137 6}
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{0 CHEMBL61776,1 1.554,2 0.474,3 1.215,4 1.488,5 3.356,6 2.569,7 2.217,8 1.445,9 1.131,11 3.428,12 2.476,13 2.249,14 224.92,15 3.13,16 8.667,17 2.773,18 4.565,19 11.544,20 0.724,21 20.305,22 25.852,23 3.719,24 3.133,25 3.593,26 3.754,27 11.691,28 18.452,29 1.569,30 4.176,31 1.209,32 0.61,33 0.853,34 -1.599,35 1860,36 172.974,37 34,38 63.648,39 4.555,40 2.24,41 2.895,42 4.92,43 344.085,44 5.172,45 6.7,46 0.73,47 35,48 7.201,49 3.918,50 3.971,51 16,52 1.554,53 22.171,54 15.951,55 2921.11,56 2.795,57 2.707,58 3.639,59 4.374,60 1.269,61 1.269,62 1.592,63 0.217,64 -0.916,65 2.854,66 4.038,67 1781,68 -0.745,69 4.115,70 152.219,71 11.901,72 9.75,73 0.783,74 8.309,75 8.309,76 8.309,77 8.309,78 8.309,79 0.173,80 264,81 2.787,82 106.868,83 38,84 2.227,85 228,86 5.03,87 3.901,88 0.247,89 3.145,90 111,91 2.508,92 0.122,93 1,94 3.847,95 3.311,96 3.311,97 23.243,98 2.036,99 -4.671,100 -4.671,101 -1.701,102 4.27,103 98.549,104 0.836,105 -1.202,106 3.328,107 3.577,108 3.753,109 6.313,110 2.89,111 2.89,112 17,113 3.555,114 62.858,115 8.813,116 0.005,117 1.975,118 1.975,119 0.215,120 -0.741,121 0.454,122 2.491,123 23,124 3.178,125 3.85,126 -1.701,127 -1.701,128 152.219,129 2,130 5.406,132 -0.938,133 2.48,134 2.48,135 2.91,136 -2.947,137 6.703}
{0 CHEMBL61971,1 1.693,2 1.154,3 1.467,4 1.665,5 3.731,6 3.078,7 2.817,8 1.675,9 1.439,11 3.756,12 3,13 2.828,14 368.77,15 3.673,16 13.333,17 3.463,18 8.266,19 19.087,20 2.551,21 34.487,22 37.623,23 4.204,24 3.708,25 4.095,26 3.953,27 20.958,28 29.9,29 3.265,30 4.708,31 2.147,32 0.45,33 0.88,34 0.648,35 9167,36 317.975,37 55,38 138.614,39 5.033,40 3.206,41 3.25,42 5.476,43 1317.91,44 7.665,45 8.319,46 1.304,47 59,48 12.941,49 4.757,50 4.778,51 28,52 1.712,53 37.461,54 26.371,55 16779.4,56 3.166,57 3.182,58 6.083,59 4.874,60 2.242,61 2.242,62 1.763,63 0.124,64 1.089,65 3.37,66 5.297,67 9967,68 1.242,69 6.15,70 293.22,71 18.42,72 17.5,73 1.362,74 15.775,75 15.775,76 15.775,77 15.775,78 15.775,79 1.281,80 1178,81 3.952,82 181.613,83 102,84 2.717,85 654,86 5.581,87 4.78,88 0.138,89 3.733,90 291,91 2.935,92 0.364,93 2.074,94 5.042,95 6.72,96 6.72,97 46.461,98 3.565,99 0.693,100 0.693,101 0.302,102 4.975,103 208.38,104 1.335,105 1.248,106 4.729,107 4.998,108 4.464,109 11.364,110 3.497,111 3.497,112 32,113 4.174,114 120.446,115 24.224,117 2.874,118 2.874,119 2.305,120 1.074,121 0.734,122 2.931,123 46,124 3.85,125 4.533,126 0.282,127 0.282,128 284.465,129 6,130 6.036,131 2,132 1,133 3.277,134 3.277,135 5.356,136 2.136,137 7.87}
{0 CHEMBL623,1 1.872,2 1.12,3 1.64,4 1.855,5 3.854,6 3.206,7 2.91,8 1.848,9 1.575,11 3.895,12 3.111,13 2.941,14 436.49,15 3.687,16 16.5,17 6.479,18 9.314,19 23.045,20 2.764,21 39.739,22 54.768,23 4.389,24 3.662,25 4.258,26 3.907,27 23.92,28 36.919,29 3.414,30 4.838,31 2.043,32 0.689,33 0.854,34 1.016,35 17515,36 391.454,37 65,38 180.756,39 5.251,40 3.128,41 3.322,42 5.371,43 2164.75,44 11.842,45 8.749,46 1.376,47 68,48 15.175,49 4.992,50 5.014,51 33,52 1.747,53 42.455,54 31.741,55 35276,56 3.254,57 3.228,58 7.444,59 5.04,60 2.209,61 2.209,62 1.909,63 0.103,64 1.522,65 3.426,66 5.337,67 18587,68 1.918,69 9.021,70 346.699,71 24.022,72 22,73 1.406,74 17.72,75 17.72,76 17.72,77 17.72,78 17.72,79 1.499,80 2157,81 4.638,82 210.702,83 179,84 3.362,85 1103,86 5.782,87 5.016,88 0.121,89 3.754,90 510,91 2.995,92 0.488,93 1.887,94 8.62,95 6.784,96 6.784,97 49.3,98 4.234,99 2.136,100 2.136,101 1,102 5.037,103 386.722,104 1.352,105 1.5,106 4.933,107 5.18,108 4.45,109 13.67,110 3.611,111 3.611,112 36,113 4.29,114 165.655,115 44.964,117 2.794,118 2.794,119 2.5,120 1.218,121 0.964,122 3.019,123 48,124 3.892,125 4.575,126 0.956,127 0.956,128 340.699,129 8,130 5.992,131 2.092,132 1.083,133 3.444,134 3.444,135 6.417,136 2.525,137 6.244}
{0 CHEMBL629,1 1.659,2 0.882,3 1.377,4 1.604,5 3.691,6 2.918,7 2.588,8 1.569,9 1.311,10 44.424,11 3.771,12 2.853,13 2.618,14 288.2,15 3.516,16 10.5,17 3.086,18 6.235,19 14.656,20 1.986,21 26.816,22 31.848,23 3.964,24 3.522,25 3.832,26 3.796,27 15.624,28 22,29 2.26,30 4.381,31 1.556,32 1.171,33 0.749,34 -1,35 3832,36 240.215,37 44,38 92.579,39 4.773,40 2.556,41 3.009,42 5.043,43 635.908,44 6.278,45 7.516,46 1.045,47 46,48 10.133,49 4.338,50 4.36,51 21,52 1.64,53 29.381,54 20.303,55 6628.73,56 2.874,57 2.832,58 4.694,59 4.585,60 1.557,61 1.557,62 1.876,63 0.181,64 -0.013,65 2.994,66 4.247,67 3867,68 0.123,69 4.72,70 188.705,71 14.096,72 12.25,73 1.088,74 11.386,75 11.386,76 11.386,77 11.386,78 11.386,79 0.986,80 588,81 3.273,82 123.628,83 56,84 2.201,85 331,86 5.206,87 4.601,88 0.197,89 3.454,90 155,91 2.75,92 0.311,93 1.414,94 4.214,95 3.625,96 3.625,97 33.381,98 2.75,99 -2.042,100 -2.042,101 -1.156,102 4.644,103 74.586,104 1.16,105 -0.223,106 4.451,107 4.751,108 4.122,109 8.765,110 3.178,111 3.178,112 23,113 3.85,114 130.84,115 14.571,116 0.002,117 2.214,118 2.214,119 1.102,120 0.069,121 0.571,122 2.733,123 31,124 3.466,125 4.143,126 -0.873,127 -0.873,128 184.705,129 1,130 5.513,131 0.816,132 -0.184,133 2.796,134 2.796,135 4.162,136 -0.457,137 5.602}
{0 CHEMBL63196,1 1.577,2 0.886,3 1.314,4 1.559,5 3.771,6 2.925,7 2.715,8 1.565,9 1.257,11 3.808,12 2.854,13 2.735,14 334.39,15 3.648,16 13.5,17 3.969,18 7.183,19 18.803,20 2.5,21 31.589,22 40.15,23 4.105,24 3.644,25 3.998,26 3.921,27 19.324,28 28.919,29 3.271,30 4.547,31 2.044,32 0.643,33 0.84,34 0.531,35 8469,36 275.121,37 49,38 133.416,39 5.073,40 3.125,41 3.128,42 5.173,43 1251.88,44 7.911,45 8.208,46 1.117,47 52,48 12.316,49 4.694,50 4.721,51 27,52 1.702,53 33.398,54 25.838,55 15866.3,56 3.043,57 2.982,58 5.944,59 4.716,60 2.196,61 2.196,62 1.874,63 0.133,64 0.463,65 3.216,66 5.085,67 8881,68 0.98,69 6.361,70 243.611,71 18.33,72 17.75,73 1.123,74 14.74,75 14.74,76 14.74,77 14.74,78 14.74,79 1.01,80 1166,81 3.894,82 169.818,83 100,84 2.898,85 663,86 5.536,87 4.587,88 0.146,89 3.556,90 305,91 2.848,92 0.428,93 1.901,94 5.371,95 6.146,96 6.146,97 42.595,98 2.904,99 0.121,100 0.121,101 0.059,102 4.914,103 257.471,104 1.181,105 1.139,106 4.53,107 4.751,108 4.354,109 10.777,110 3.434,111 3.434,112 30,113 4.111,114 163.805,115 25.182,117 3.034,118 3.034,119 2.217,120 1,121 0.689,122 2.837,123 42,124 3.761,125 4.443,126 0.053,127 0.053,128 243.611,129 8,130 5.823,131 1.93,132 0.928,133 3.49,134 3.49,135 5.061,136 2.275,137 5.523}
{0 CHEMBL6330,1 1.416,2 0.341,3 1.081,4 1.409,5 3.309,6 2.37,7 2.026,8 1.375,9 1.013,11 3.351,12 2.288,13 2.041,14 183.9,15 3.078,16 7.667,17 1.977,18 3.817,19 10.129,20 0.276,21 17.139,22 21.294,23 3.582,24 3.061,25 3.463,26 3.62,27 9.995,28 16.233,29 1.098,30 4.015,31 1.096,32 0.535,33 0.857,34 -2.125,35 1288,36 140.881,37 29,38 52.159,39 4.491,40 2.1,41 2.622,42 4.523,43 241.779,44 3.692,45 6.308,46 0.621,47 30,48 6.376,49 3.714,50 3.78,51 14,52 1.51,53 18.245,54 13.939,55 1867.24,56 2.524,57 2.334,58 3.056,59 4.192,60 1.113,61 1.113,62 1.533,63 0.273,64 -1.006,65 2.663,66 3.606,67 1212,68 -1,69 3.67,70 125.372,71 9.651,72 8.75,73 0.639,74 7.422,75 7.422,76 7.422,77 7.422,78 7.422,79 0.221,80 144,81 2.593,82 90.828,83 32,84 1.985,85 164,86 5.005,87 3.64,88 0.295,89 2.937,90 79,91 2.25,92 0.082,93 0.666,94 2.545,95 2.556,96 2.556,97 21.62,98 1.694,99 -5.643,100 -5.643,101 -2.324,102 4.182,103 31.237,104 0.649,105 -1.462,106 3.437,107 3.799,108 3.694,109 5.41,110 2.773,111 2.773,112 15,113 3.434,114 95.543,115 7.286,116 0.007,117 2.016,118 2.016,119 -0.089,120 -0.896,121 0.39,122 2.237,123 21,124 3.091,125 3.761,126 -1.954,127 -1.954,128 125.372,129 2,130 5.062,131 -0.316,132 -1.239,133 2.551,134 2.551,135 2.58,136 -3.441,137 5.826}
{0 CHEMBL63346,1 1.573,2 0.886,3 1.307,4 1.551,5 3.784,6 2.925,7 2.715,8 1.564,9 1.248,11 3.815,12 2.854,13 2.735,14 330.82,15 3.653,16 13.333,17 3.534,18 7.382,19 19.087,20 2.538,21 31.777,22 37.61,23 4.105,24 3.647,25 4.012,26 3.942,27 20.036,28 29.786,29 3.414,30 4.578,31 2.072,32 0.432,33 0.871,34 0.953,35 9534,36 268.078,37 48,38 139.635,39 5.092,40 3.152,41 3.115,42 5.159,43 1343.21,44 7.393,45 8.318,46 1.12,47 52,48 12.757,49 4.757,50 4.779,51 28,52 1.712,53 33.091,54 26.579,55 17400.9,56 3.035,57 3.019,58 5.972,59 4.725,60 2.211,61 2.211,62 1.874,63 0.128,64 0.98,65 3.216,66 5.091,67 10420,68 1.321,69 6.374,70 247.323,71 17.983,72 19.25,73 1.123,74 15.817,75 15.817,76 15.817,77 15.817,78 15.817,79 0.952,80 1216,81 4.035,82 172.67,83 106,84 2.887,85 680,86 5.619,87 4.607,88 0.138,89 3.56,90 302,91 2.848,92 0.418,93 1.903,94 4.748,95 6.17,96 6.17,97 46.26,98 2.897,99 0.972,100 0.972,101 0.467,102 4.985,103 238.64,104 1.181,105 1.204,106 4.504,107 4.705,108 4.441,109 11.188,110 3.497,111 3.497,112 32,113 4.174,114 155.339,115 24.99,117 3.101,118 3.101,119 2.245,120 1,121 0.683,122 2.843,123 46,124 3.85,125 4.533,126 0.39,127 0.39,128 245.323,129 8,130 5.828,131 2,132 1,133 3.646,134 3.646,135 5.346,136 2.294,137 5.523}
{0 CHEMBL6368,1 1.181,3 0.886,4 1.13,5 2.973,6 1.802,7 1.188,8 1.104,9 0.821,11 3.046,12 1.602,13 1.263,14 169.36,15 2.886,16 6.5,17 3.204,18 2.977,19 8.268,20 -0.103,21 14.499,22 19.301,23 3.311,24 3.227,25 3.169,26 3.574,27 7.954,28 11.457,30 3.657,31 0.051,32 0.728,33 0.807,35 682,36 104.042,37 23,38 37.263,39 4.17,40 1.001,41 1.885,42 4.201,43 142.3,44 4.065,45 5.569,46 0.133,47 23,48 4.427,49 3.356,50 3.431,51 11,52 1.42,53 17.233,54 11.226,55 924.463,56 1.685,57 2.142,58 2.5,59 3.855,60 0.118,61 0.118,62 1.194,63 0.329,65 2.404,66 2.543,67 589,69 3.438,70 87.287,71 9.001,72 5.75,73 0.23,74 5.433,75 5.433,76 5.433,77 5.433,78 5.433,79 0.085,80 90,81 2.272,82 70.532,83 22,84 1.981,85 115,86 4.563,87 2.874,88 0.366,89 2.887,90 60,91 1.946,93 -0.272,94 3.327,95 0.264,96 0.264,97 14.119,98 1.327,102 3.861,103 35.181,104 0.381,105 -3,106 1.751,107 1.888,108 3.219,109 4.294,110 2.485,111 2.485,112 11,113 3.135,114 87.007,115 5.14,116 0.025,117 1.5,118 1.5,119 -0.739,120 -2,121 0.304,122 1.555,123 14,124 2.708,125 3.367,128 87.287,130 4.571,131 -1,132 -2,133 2.003,134 2.003,135 2.073,136 -5.275,137 6.003}
{0 CHEMBL637,1 1.595,2 0.906,3 1.287,4 1.562,5 3.604,6 2.978,7 2.664,8 1.545,9 1.22,11 3.69,12 2.874,13 2.687,14 287.7,15 3.395,16 11.083,17 3.823,18 6.019,19 14.588,20 1.585,21 26.299,22 36.067,23 4.032,24 3.393,25 3.896,26 3.81,27 14.808,28 24.033,29 2.229,30 4.495,31 1.57,32 1.155,33 0.776,34 -1,35 3283,36 261.066,37 47,38 86.987,39 4.817,40 2.578,41 3.009,42 5.27,43 578.308,44 6.705,45 7.37,46 1.17,47 48,48 9.215,49 4.225,50 4.289,51 20,52 1.626,53 28.813,54 19.534,55 5837.31,56 2.888,57 2.91,58 4.528,59 4.711,60 1.588,61 1.588,62 1.82,63 0.18,64 -0.1,65 3.111,66 4.195,67 3149,69 4.69,70 206.801,71 15.492,72 12,73 1.214,74 10.281,75 10.281,76 10.281,77 10.281,78 10.281,79 0.761,80 544,81 3.086,82 133.349,83 52,84 2.423,85 317,86 5.3,87 4.925,88 0.215,89 3.378,90 156,91 2.735,92 0.316,93 1,94 5.194,95 3.387,96 3.387,97 29.718,98 2.897,99 -2.508,100 -2.508,101 -1,102 4.472,103 140.934,104 1.29,105 -0.518,106 4.557,107 4.898,108 4.006,109 7.838,110 3.091,111 3.091,112 21,113 3.761,114 91.912,115 13.84,116 0.002,117 2.173,118 2.173,119 0.667,120 -0.079,121 0.625,122 2.715,123 29,124 3.401,125 4.078,126 -1,127 -1,128 201.291,129 3,130 5.765,131 0.486,132 -0.425,133 2.711,134 2.711,135 3.603,136 -0.927,137 6.169}
{0 CHEMBL6376,1 1.43,2 0.214,3 1.127,4 1.421,5 3.359,6 2.199,7 1.873,8 1.388,9 1.074,11 3.405,12 2.111,13 1.899,14 183.9,15 3.145,16 7.667,17 1.977,18 3.814,19 10.129,20 0.316,21 17.139,22 21.274,23 3.582,24 3.13,25 3.463,26 3.614,27 9.995,28 16.233,29 1.135,30 4.015,31 1.105,32 0.535,33 0.857,34 -2.056,35 1286,36 140.881,37 29,38 52.112,39 4.491,40 2.106,41 2.703,42 4.509,43 241.176,44 3.692,45 6.311,46 0.505,47 30,48 6.373,49 3.714,50 3.78,51 14,52 1.511,53 18.245,54 13.934,55 1861.78,56 2.6,57 2.425,58 3.056,59 4.192,60 1.108,61 1.108,62 1.522,63 0.271,64 -1.006,65 2.73,66 3.587,67 1212,68 -1,69 3.651,70 123.372,71 9.651,72 8.75,73 0.493,74 7.416,75 7.416,76 7.416,77 7.416,78 7.416,79 0.135,80 156,81 2.593,82 90.828,83 31,84 1.985,85 162,86 5.009,87 3.864,88 0.293,89 2.937,90 78,91 2.243,92 0.082,93 0.775,94 2.545,95 2.447,96 2.447,97 21.672,98 1.694,99 -5.744,100 -5.744,101 -2.35,102 4.182,103 31.112,104 0.484,105 -1.529,106 2.879,107 3.126,108 3.694,109 5.4,110 2.773,111 2.773,112 15,113 3.434,114 95.543,115 7.286,116 0.007,117 2.008,118 2.008,119 -0.099,120 -0.858,121 0.39,122 2.243,123 21,124 3.091,125 3.761,126 -1.954,127 -1.954,128 119.372,129 2,130 5.024,131 -0.339,132 -1.311,133 2.314,134 2.314,135 2.578,136 -3.375,137 5.337}
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{0 CHEMBL6842,1 1.408,2 0.111,3 1.096,4 1.329,5 3.373,6 2.406,7 2.001,8 1.282,9 1.029,11 3.445,12 2.287,13 2.028,14 183.62,15 3.215,16 6.833,17 1.916,18 4.124,19 9.259,20 0.273,21 17.236,22 19.238,23 3.598,24 3.232,25 3.449,26 3.657,27 9.784,28 14.6,29 1,30 4.022,31 1.095,32 0.492,33 0.868,34 -2.324,35 1103,36 147.207,37 30,38 47.155,39 4.337,40 2.095,41 2.636,42 4.574,43 207.115,44 3.507,45 6.073,46 0.486,47 31,48 6.212,49 3.628,50 3.673,51 13,52 1.482,53 19.097,54 13.103,55 1512.18,56 2.529,57 2.323,58 2.861,59 4.232,60 1.096,61 1.096,62 1.728,63 0.28,65 2.682,66 3.44,67 1049,68 -1,69 3.632,70 128.452,71 8.766,72 7.25,73 0.574,74 6.938,75 6.938,76 6.938,77 6.938,78 6.938,79 0.286,80 121,81 2.56,82 83.168,83 29,84 1.988,85 153,86 4.805,87 3.631,88 0.307,89 3.035,90 73,91 2.286,92 0.082,93 0.477,94 2.364,95 2.433,96 2.433,97 20.562,98 1.993,99 -6.279,100 -6.279,101 -3,102 4.103,103 28.346,104 0.712,105 -1.786,106 3.433,107 3.797,108 3.653,109 5.2,110 2.708,111 2.708,112 14,113 3.367,114 89.846,115 6.485,116 0.022,117 2.006,118 2.006,119 -0.437,120 -1.311,121 0.411,122 2.271,123 19,124 2.996,125 3.664,126 -2,127 -2,128 124.452,130 4.905,131 -0.603,132 -1.602,133 2.035,134 2.035,135 2.491,136 -4.554,137 6.071}
{0 CHEMBL70887,1 1.701,2 0.886,3 1.472,4 1.671,5 3.781,6 2.925,7 2.715,8 1.652,9 1.413,11 3.838,12 2.854,13 2.735,14 301.62,15 3.605,16 12,17 3,18 6.773,19 16.681,20 2.39,21 28.604,22 33.596,23 4.05,24 3.596,25 3.924,26 3.851,27 17.466,28 26.429,29 2.63,30 4.524,31 2.071,32 0.756,33 0.825,34 -0.188,35 5715,36 254.084,37 46,38 111.609,39 4.946,40 3.166,41 3.022,42 5.187,43 895.949,44 6.271,45 7.893,46 1.062,47 49,48 11.165,49 4.518,50 4.551,51 24,52 1.676,53 30.262,54 22.916,55 10142.3,56 2.954,57 2.91,58 5.139,59 4.716,60 2.238,61 2.238,62 1.9,63 0.151,64 0.174,65 3.111,66 5.042,67 5984,68 0.482,69 5.283,70 216.574,71 15.744,72 15.5,73 1.107,74 13.329,75 13.329,76 13.329,77 13.329,78 13.329,79 1.419,80 746,81 3.566,82 137.423,83 76,84 2.622,85 473,86 5.518,87 4.743,88 0.168,89 3.489,90 216,91 2.802,92 0.438,93 1.788,94 4.113,95 6.064,96 6.064,97 39.303,98 2.884,99 -1.037,100 -1.037,101 -0.496,102 4.796,103 188.131,104 1.181,105 0.914,106 4.617,107 4.896,108 4.292,109 9.42,110 3.332,111 3.332,112 27,113 4.007,114 119.735,115 19.257,117 2.804,118 2.804,119 1.994,120 0.911,121 0.803,122 2.782,123 39,124 3.689,125 4.369,126 -0.431,127 -0.431,128 201.064,129 2,130 5.733,131 1.738,132 0.739,133 2.993,134 2.993,135 4.519,136 1.985,137 4.921}
{0 CHEMBL715,1 1.58,2 0.868,3 1.465,4 1.618,5 3.762,6 2.929,7 2.683,8 1.582,9 1.449,10 44.772,11 3.786,12 2.849,13 2.7,14 278.09,15 3.605,16 10.667,17 2.691,18 6.082,19 15.104,20 2.247,21 26.487,22 29.595,23 3.975,24 3.602,25 3.845,26 3.807,27 16.226,28 23.267,29 2.765,30 4.408,31 1.732,32 0.703,33 0.825,34 -0.492,35 4351,36 226.477,37 42,38 97.841,39 4.81,40 2.813,41 3.074,42 4.995,43 698.526,44 5.67,45 7.656,46 1.048,47 45,48 9.883,49 4.403,50 4.431,51 22,52 1.653,53 28.762,54 20.962,55 7334.01,56 2.989,57 2.903,58 4.694,59 4.608,60 1.885,61 1.885,62 1.712,63 0.168,64 0.048,65 3.111,66 4.808,67 4598,68 0.213,69 4.656,70 196.968,71 14.218,72 15,73 1.085,74 12.38,75 12.38,76 12.38,77 12.38,78 12.38,79 0.942,80 596,81 3.369,82 141.955,83 60,84 2.368,85 377,86 5.293,87 4.598,88 0.182,89 3.435,90 170,91 2.806,92 0.269,93 1.542,94 3.664,95 5.301,96 5.301,97 35.316,98 2.563,99 -1.777,100 -1.777,101 -0.871,102 4.743,103 95.786,104 1.139,105 0.14,106 4.482,107 4.796,108 4.156,109 8.802,110 3.258,111 3.258,112 25,113 3.932,114 127.386,115 14.463,116 0.001,117 2.444,118 2.444,119 1.349,120 0.313,121 0.67,122 2.795,123 36,124 3.611,125 4.29,126 -0.735,127 -0.735,128 194.968,129 3,130 5.543,131 1.058,132 0.112,133 3.122,134 3.122,135 4.239,136 0.3,137 6.019}
{0 CHEMBL72,1 1.635,2 0.794,3 1.372,4 1.583,5 3.655,6 2.799,7 2.588,8 1.554,9 1.311,10 40.562,11 3.738,12 2.701,13 2.604,14 267.24,15 3.467,16 9.667,17 2.795,18 6.025,19 13.786,20 1.877,21 25.311,22 29.607,23 3.939,24 3.475,25 3.799,26 3.796,27 14.884,28 21.4,29 2,30 4.353,31 1.51,32 0.97,33 0.784,34 -1.09,35 3324,36 226.477,37 42,38 86.132,39 4.732,40 2.52,41 2.918,42 4.969,43 561.282,44 6.209,45 7.378,46 0.972,47 44,48 9.714,49 4.283,50 4.288,51 20,52 1.627,53 27.625,54 19.373,55 5599.81,56 2.853,57 2.799,58 4.611,59 4.558,60 1.532,61 1.532,62 1.849,63 0.183,64 -0.024,65 2.983,66 3.956,67 3360,68 0.119,69 4.475,70 185.722,71 13.351,72 12.25,73 1.018,74 10.868,75 10.868,76 10.868,77 10.868,78 10.868,79 0.789,80 498,81 3.203,82 122.372,83 51,84 2.183,85 314,86 5.179,87 4.559,88 0.203,89 3.38,90 146,91 2.75,92 0.142,93 1.414,94 4.145,95 3.516,96 3.516,97 31.109,98 2.7,99 -2.042,100 -2.042,101 -1.167,102 4.564,103 69.393,104 1.094,105 -0.223,106 4.303,107 4.635,108 4.03,109 8.8,110 3.135,111 3.135,112 22,113 3.807,114 129.041,115 13.19,116 0.003,117 2.156,118 2.156,119 1.102,120 0.108,121 0.592,122 2.733,123 29,124 3.401,125 4.078,126 -0.875,127 -0.875,128 181.722,129 5,130 5.46,131 0.804,132 -0.181,133 2.488,134 2.488,135 4.135,136 -0.457,137 4.87}
{0 CHEMBL73461,1 1.803,2 1.121,3 1.57,4 1.799,5 3.836,6 3.076,7 2.869,8 1.795,9 1.502,11 3.874,12 3.011,13 2.877,14 380.54,15 3.671,16 14.333,17 4.089,18 8.715,19 20.501,20 2.613,21 36.032,22 41.732,23 4.308,24 3.654,25 4.174,26 3.874,27 22.096,28 33.181,29 3.424,30 4.787,31 2.137,32 0.644,33 0.855,34 1,35 12157,36 347.076,37 59,38 155.139,39 5.145,40 3.23,41 3.206,42 5.411,43 1639.03,44 8.563,45 8.493,46 1.376,47 63,48 14.129,49 4.859,50 4.873,51 30,52 1.726,53 38.313,54 28.567,55 22973.4,56 3.111,57 3.1,58 6.5,59 4.986,60 2.297,61 2.297,62 1.91,63 0.118,64 1.449,65 3.288,66 5.31,67 13198,68 1.714,69 7.274,70 307.076,71 19.836,72 20.25,73 1.387,74 16.791,75 16.791,76 16.791,77 16.791,78 16.791,79 1.661,80 1570,81 4.266,82 181.882,83 128,84 3.098,85 824,86 5.729,87 5.078,88 0.132,89 3.702,90 370,91 2.941,92 0.418,93 2.024,94 5.662,95 6.778,96 6.778,97 49.548,98 3.783,99 1.856,100 1.856,101 0.882,102 5.004,103 257.087,104 1.32,105 1.302,106 5.015,107 5.318,108 4.499,109 12.18,110 3.555,111 3.555,112 34,113 4.234,114 145.527,115 33.778,117 2.822,118 2.822,119 2.332,120 1.151,121 0.964,122 2.91,123 48,124 3.892,125 4.575,126 0.734,127 0.734,128 279.857,129 2,130 5.961,131 2.078,132 1.072,133 3.132,134 3.132,135 5.793,136 2.43,137 4.658}
{0 CHEMBL77340,1 1.851,2 0.934,3 1.58,4 1.791,5 3.647,6 3.009,7 2.75,8 1.754,9 1.516,10 91.424,11 3.695,12 2.937,13 2.746,14 356.31,15 3.452,16 14.667,17 4.199,18 6.987,19 19.008,20 2.631,21 31.234,22 44.049,23 4.103,24 3.452,25 4.002,26 3.902,27 18.522,28 29.39,29 2.921,30 4.605,31 1.953,32 0.565,33 0.871,34 -0.184,35 6870,36 282.193,37 50,38 125.089,39 5.063,40 3.068,41 3.147,42 5.23,43 1085.14,44 8.024,45 8.13,46 1.238,47 52,48 11.002,49 4.588,50 4.672,51 26,52 1.697,53 34.074,54 24.587,55 13243.5,56 3.115,57 2.981,58 5.611,59 4.768,60 2.158,61 2.158,62 1.828,63 0.142,64 0.377,65 3.137,66 5.132,67 6865,68 0.473,69 5.677,70 253.928,71 19.892,72 16.5,73 1.234,74 13.767,75 13.767,76 13.767,77 13.767,78 13.767,79 1.454,80 1022,81 3.573,82 171.49,83 86,84 2.58,85 515,86 5.672,87 4.9,88 0.156,89 3.556,90 246,91 2.899,92 0.655,93 1.818,94 6.139,95 6.113,96 6.113,97 39.375,98 3.155,99 -1.227,100 -1.227,101 -0.614,102 4.824,103 163.766,104 1.17,105 0.256,106 4.974,107 5.228,108 4.297,109 9.577,110 3.367,111 3.367,112 28,113 4.043,114 84.431,115 20.047,117 2.813,118 2.813,119 1.372,120 1.026,121 0.671,122 2.876,123 41,124 3.738,125 4.419,126 -0.515,127 -0.515,128 249.928,129 12,130 6.254,131 1.181,132 0.211,133 3.012,134 3.012,135 4.518,136 0.659,137 4.458}
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{0 CHEMBL781,1 1.393,2 0.623,3 1.305,4 1.5,5 3.618,6 2.646,7 2.296,8 1.537,9 1.256,11 3.68,12 2.569,13 2.279,14 241.64,15 3.464,16 9.75,17 1.55,18 5.241,19 13.742,20 2.053,21 22.746,22 25.889,23 3.732,24 3.456,25 3.636,26 3.835,27 14.243,28 20.152,29 2.758,30 4.174,31 1.525,32 0.364,33 0.863,34 -1.126,35 3244,36 166.465,37 33,38 84.625,39 4.733,40 2.624,41 2.779,42 4.628,43 540.713,44 4.157,45 7.382,46 0.783,47 36,48 9.193,49 4.251,50 4.293,51 20,52 1.627,53 23.892,54 19.014,55 5182.03,56 2.732,57 2.715,58 4.25,59 4.307,60 1.684,61 1.684,62 1.673,63 0.188,64 -0.224,65 2.854,66 4.936,67 3400,69 4.138,70 154.465,71 12.095,72 13.25,73 0.82,74 11.336,75 11.336,76 11.336,77 11.336,78 11.336,79 0.245,80 464,81 3.136,82 108.465,83 47,84 2.185,85 314,86 5.285,87 4.071,88 0.214,89 3.279,90 140,91 2.65,92 0.229,93 1.408,94 2.514,95 5.146,96 5.146,97 33.923,98 1.991,99 -2.976,100 -2.976,101 -1.308,102 4.718,103 86.541,104 0.855,105 -0.27,106 3.368,107 3.645,108 4.161,109 7.856,110 3.178,111 3.178,112 23,113 3.85,114 115.316,115 11.52,116 0.001,117 2.948,118 2.948,119 1.082,120 0.408,121 0.448,122 2.629,123 35,124 3.584,125 4.263,126 -1,127 -1,128 149.71,129 4,130 5.659,131 0.633,132 -0.149,133 3.067,134 3.067,135 3.667,136 -0.49,137 9.097}
{0 CHEMBL80262,1 1.593,2 0.855,3 1.252,4 1.582,5 3.49,6 2.801,7 2.414,8 1.587,9 1.201,10 59.188,11 3.511,12 2.697,13 2.396,14 255.4,15 3.285,16 9.833,17 2.329,18 5.626,19 13.405,20 1.494,21 23.719,22 27.548,23 3.89,24 3.271,25 3.767,26 3.843,27 14.025,28 21.533,29 2.232,30 4.381,31 1.705,32 0.588,33 0.857,34 -1.45,35 2888,36 212.877,37 40,38 80.054,39 4.718,40 2.738,41 2.925,42 5.055,43 495.597,44 5.067,45 7.224,46 1.062,47 42,48 8.903,49 4.171,50 4.219,51 19,52 1.61,53 25.529,54 18.414,55 4731.92,56 2.854,57 2.816,58 4.194,59 4.564,60 1.765,61 1.765,62 1.772,63 0.177,64 -0.346,65 3.036,66 4.821,67 2900,68 -0.297,69 4.297,70 189.367,71 12.832,72 11.75,73 1.107,74 10.293,75 10.293,76 10.293,77 10.293,78 10.293,79 0.558,80 417,81 3.059,82 122.122,83 47,84 2.189,85 289,86 5.273,87 4.465,88 0.207,89 3.313,90 135,91 2.735,92 0.258,93 1.342,94 3.422,95 5.096,96 5.096,97 30.747,98 2.528,99 -3,100 -3,101 -1.5,102 4.527,103 102.464,104 1.181,105 -0.245,106 4.104,107 4.458,108 4.078,109 7.44,110 3.091,111 3.091,112 21,113 3.761,114 96.79,115 11.108,116 0.002,117 2.575,118 2.575,119 0.975,120 0.069,121 0.548,122 2.715,123 30,124 3.434,125 4.111,126 -1.295,127 -1.295,128 181.367,129 2,130 5.7,131 0.787,132 -0.22,133 2.751,134 2.751,135 3.459,136 -0.551,137 8.214}
{0 CHEMBL80515,1 1.592,2 0.642,3 1.25,4 1.581,5 3.488,6 2.786,7 2.396,8 1.586,9 1.198,10 59.188,11 3.506,12 2.695,13 2.375,14 244.17,15 3.275,16 9.833,17 2.307,18 5.368,19 13.405,20 1.494,21 22.576,22 27.548,23 3.825,24 3.252,25 3.71,26 3.828,27 13.671,28 21.748,29 2.232,30 4.322,31 1.701,32 0.507,33 0.867,34 -1.45,35 2888,36 192.75,37 37,38 80.054,39 4.753,40 2.736,41 2.892,42 4.96,43 495.597,44 5.029,45 7.224,46 0.911,47 39,48 8.784,49 4.171,50 4.219,51 19,52 1.61,53 23.705,54 18.414,55 4731.92,56 2.828,57 2.715,58 4.194,59 4.489,60 1.765,61 1.765,62 1.771,63 0.177,64 -0.418,65 2.854,66 4.821,67 2900,68 -0.33,69 4.297,70 173.995,71 12.77,72 12,73 0.913,74 10.293,75 10.293,76 10.293,77 10.293,78 10.293,79 0.574,80 417,81 3.059,82 119.889,83 47,84 2.189,85 289,86 5.352,87 4.398,88 0.207,89 3.244,90 135,91 2.63,92 0.258,93 1.319,94 3.38,95 5.096,96 5.096,97 30.371,98 2.313,99 -3,100 -3,101 -1.5,102 4.527,103 102.464,104 0.911,105 -0.245,106 3.863,107 4.201,108 4.057,109 7.44,110 3.091,111 3.091,112 21,113 3.761,114 93.9,115 11.108,116 0.001,117 2.575,118 2.575,119 0.975,120 0.265,121 0.579,122 2.634,123 30,124 3.434,125 4.111,126 -1.295,127 -1.295,128 169.995,129 2,130 5.713,131 0.744,132 -0.213,133 2.751,134 2.751,135 3.459,136 -0.551,137 7.837}
{0 CHEMBL809,1 1.636,2 0.734,3 1.321,4 1.596,5 3.541,6 2.781,7 2.593,8 1.562,9 1.238,11 3.61,12 2.714,13 2.612,14 269.36,15 3.401,16 10.333,17 2.612,18 5.521,19 14.113,20 1.608,21 24.418,22 29.763,23 3.801,24 3.413,25 3.689,26 3.843,27 14.514,28 20.871,29 2.319,30 4.241,31 1.486,32 0.237,33 0.905,34 -0.876,35 3367,36 192.75,37 37,38 86.49,39 4.688,40 2.529,41 2.866,42 4.839,43 575.062,44 5.764,45 7.362,46 0.925,47 39,48 9.051,49 4.248,50 4.294,51 20,52 1.623,53 26.574,54 19.381,55 5669.1,56 2.807,57 2.765,58 4.472,59 4.403,60 1.547,61 1.547,62 1.724,63 0.183,64 -0.383,65 2.878,66 4.428,67 3390,68 0.023,69 4.586,70 181.995,71 13.934,72 12,73 0.974,74 10.765,75 10.765,76 10.765,77 10.765,78 10.765,79 0.387,80 460,81 3.146,82 114.163,83 54,84 2.423,85 328,86 5.172,87 4.249,88 0.202,89 3.369,90 154,91 2.704,92 0.255,93 1.274,94 4.016,95 4.159,96 4.159,97 30.876,98 2.308,99 -2.3,100 -2.3,101 -1.327,102 4.605,103 141.884,104 1.043,105 -0.353,106 3.781,107 4.011,108 4.05,109 7.922,110 3.135,111 3.135,112 22,113 3.807,114 114.368,115 12.7,116 0.001,117 2.414,118 2.414,119 0.868,120 0.059,121 0.461,122 2.681,123 31,124 3.466,125 4.143,126 -0.959,127 -0.959,128 173.24,130 5.444,131 0.585,132 -0.272,133 2.953,134 2.953,135 3.628,136 -0.655,137 6.658}
{0 CHEMBL811,1 1.609,2 0.79,3 1.314,4 1.551,5 3.65,6 2.862,7 2.57,8 1.508,9 1.239,11 3.734,12 2.786,13 2.618,14 264.28,15 3.456,16 10.167,17 4.153,18 5.187,19 13.665,20 1.385,21 23.809,22 33.319,23 3.817,24 3.461,25 3.686,26 3.793,27 13.781,28 19.867,29 1.832,30 4.212,31 1.415,32 0.777,33 0.814,34 -1.327,35 3001,36 199.421,37 38,38 81.754,39 4.685,40 2.475,41 2.925,42 4.848,43 515.287,44 6.832,45 7.219,46 0.994,47 39,48 8.401,49 4.178,50 4.216,51 19,52 1.61,53 26.216,54 18.85,55 5183.26,56 2.854,57 2.715,58 4.306,59 4.418,60 1.504,61 1.504,62 1.853,63 0.189,64 -0.329,65 2.874,66 4.044,67 2908,68 -0.1,69 4.71,70 169.911,71 14.232,72 11.25,73 1.025,74 9.881,75 9.881,76 9.881,77 9.881,78 9.881,79 0.732,80 505,81 3.112,82 115.716,83 49,84 2.268,85 279,86 5.097,87 4.453,88 0.213,89 3.299,90 137,91 2.684,92 0.267,93 1.016,94 5.118,95 3.516,96 3.516,97 27.335,98 2.208,99 -3,100 -3,101 -1.5,102 4.477,103 133.279,104 1.069,105 -0.974,106 4.29,107 4.591,108 3.869,109 7.79,110 3.045,111 3.045,112 20,113 3.714,114 125.721,115 13.285,116 0.002,117 2.224,118 2.224,119 0.563,120 -0.6,121 0.514,122 2.653,123 26,124 3.296,125 3.97,126 -1,127 -1,128 169.911,129 4,130 5.298,131 0.164,132 -0.74,133 2.774,134 2.774,135 3.733,136 -1.79,137 5.328}
{0 CHEMBL814,1 1.633,2 0.752,3 1.352,4 1.622,5 3.57,6 2.925,7 2.512,8 1.624,9 1.297,11 3.642,12 2.853,13 2.491,14 292.03,15 3.334,16 12.75,17 6.939,18 5.608,19 16.424,20 1.621,21 25.417,22 57.78,23 3.96,24 3.322,25 3.835,26 3.71,27 14.86,28 27.376,29 2,30 4.401,31 1.467,32 0.733,33 0.845,34 -1,35 4731,36 233.329,37 43,38 102.924,39 4.995,40 2.541,41 2.964,42 4.838,43 794.25,44 9.571,45 7.617,46 1.062,47 43,48 9.768,49 4.363,50 4.42,51 22,52 1.648,53 26.108,54 22.061,55 9262.12,56 2.854,57 2.793,58 5.194,59 4.589,60 1.621,61 1.621,62 1.795,63 0.177,64 -0.3,65 3.076,66 3.742,67 4364,68 -0.014,69 6.022,70 201.82,71 18.633,72 13.25,73 1.107,74 10.809,75 10.809,76 10.809,77 10.809,78 10.809,79 0.979,80 804,81 3.376,82 147.971,83 74,84 2.72,85 398,86 5.997,87 4.596,88 0.202,89 3.241,90 206,91 2.735,92 0.306,93 1.215,94 8.106,95 3.399,96 3.399,97 28.649,98 2.496,99 -2.752,100 -2.752,101 -1,102 4.494,103 85.391,104 1.125,105 -0.41,106 4.636,107 4.906,108 3.9,109 9.197,110 3.135,111 3.135,112 22,113 3.807,114 136.867,115 22.595,117 1.871,118 1.871,119 0.931,120 0.51,121 0.753,122 2.715,123 28,124 3.367,125 4.043,126 -1,127 -1,128 201.82,129 3,130 5.824,131 0.565,132 -0.34,133 2.537,134 2.537,135 4.296,136 -0.652,137 5.721}
{0 CHEMBL81525,1 1.592,2 0.649,3 1.25,4 1.581,5 3.488,6 2.782,7 2.397,8 1.586,9 1.198,10 59.188,11 3.505,12 2.695,13 2.377,14 253.31,15 3.277,16 9.833,17 2.426,18 5.368,19 13.405,20 1.494,21 23.02,22 27.548,23 3.817,24 3.257,25 3.706,26 3.824,27 13.811,28 21.319,29 2.232,30 4.317,31 1.691,32 0.507,33 0.867,34 -1.45,35 2888,36 192.75,37 37,38 80.054,39 4.695,40 2.735,41 2.868,42 4.951,43 495.597,44 5.237,45 7.224,46 0.859,47 39,48 8.594,49 4.171,50 4.219,51 19,52 1.61,53 24.625,54 18.414,55 4731.92,56 2.814,57 2.715,58 4.194,59 4.48,60 1.765,61 1.765,62 1.771,63 0.177,64 -0.525,65 2.854,66 4.821,67 2900,68 -0.333,69 4.297,70 173.995,71 13.104,72 12,73 0.89,74 10.293,75 10.293,76 10.293,77 10.293,78 10.293,79 0.344,80 417,81 3.059,82 119.889,83 47,84 2.189,85 289,86 5.275,87 4.384,88 0.207,89 3.279,90 135,91 2.683,92 0.258,93 1.276,94 3.612,95 5.096,96 5.096,97 29.935,98 2.313,99 -3,100 -3,101 -1.5,102 4.527,103 102.464,104 0.89,105 -0.245,106 3.832,107 4.151,108 4.036,109 7.44,110 3.091,111 3.091,112 21,113 3.761,114 88.28,115 11.108,116 0.002,117 2.575,118 2.575,119 0.975,120 0.274,121 0.498,122 2.66,123 30,124 3.434,125 4.111,126 -1.295,127 -1.295,128 169.995,129 2,130 5.665,131 0.704,132 -0.202,133 2.751,134 2.751,135 3.459,136 -0.551,137 8.384}
{0 CHEMBL82027,1 1.621,2 0.886,3 1.31,4 1.61,5 3.499,6 2.925,7 2.715,8 1.615,9 1.241,10 61.926,11 3.521,12 2.854,13 2.735,14 272.7,15 3.296,16 10.667,17 2.33,18 5.899,19 14.276,20 1.497,21 25.246,22 29.653,23 3.957,24 3.282,25 3.831,26 3.852,27 14.807,28 22.833,29 2.294,30 4.454,31 1.713,32 0.657,33 0.849,34 -1.157,35 3243,36 233.329,37 43,38 85.778,39 4.771,40 2.744,41 3.129,42 5.181,43 556.325,44 5.306,45 7.378,46 1.062,47 45,48 9.291,49 4.231,50 4.292,51 20,52 1.626,53 27.29,54 19.217,55 5489.09,56 3.033,57 2.871,58 4.417,59 4.65,60 1.77,61 1.77,62 1.774,63 0.169,64 -0.339,65 3.084,66 4.947,67 3231,68 -0.087,69 4.389,70 205.065,71 13.785,72 12.5,73 1.107,74 10.744,75 10.744,76 10.744,77 10.744,78 10.744,79 0.725,80 468,81 3.092,82 125.864,83 51,84 2.228,85 306,86 5.312,87 4.562,88 0.2,89 3.367,90 144,91 2.835,92 0.273,93 1.373,94 3.658,95 5.305,96 5.305,97 32.183,98 2.694,99 -2.99,100 -2.99,101 -1.5,102 4.58,103 108.894,104 1.181,105 -0.226,106 4.378,107 4.742,108 4.131,109 7.647,110 3.135,111 3.135,112 22,113 3.807,114 90.3,115 12.34,116 0.002,117 2.749,118 2.749,119 0.978,120 0.131,121 0.589,122 2.812,123 32,124 3.497,125 4.174,126 -1.075,127 -1.075,128 197.065,129 6,130 5.786,131 0.812,132 -0.204,133 2.793,134 2.793,135 3.517,136 -0.521,137 6.569}
{0 CHEMBL82093,1 1.847,2 0.886,3 1.58,4 1.791,5 3.647,6 2.925,7 2.69,8 1.754,9 1.515,10 71.482,11 3.694,12 2.854,13 2.702,14 305.21,15 3.451,16 12,17 3.108,18 6.426,19 15.853,20 2.15,21 27.6,22 34.095,23 4.019,24 3.449,25 3.899,26 3.833,27 16.166,28 25.219,29 2.304,30 4.526,31 1.93,32 0.788,33 0.831,34 -0.623,35 4211,36 254.084,37 46,38 98.332,39 4.836,40 3.018,41 3.009,42 5.203,43 705.266,44 6.308,45 7.656,46 1.062,47 48,48 9.853,49 4.36,50 4.428,51 22,52 1.654,53 29.909,54 21.018,55 7518.58,56 2.874,57 2.877,58 4.75,59 4.713,60 2.069,61 2.069,62 1.816,63 0.155,65 3.136,66 5.035,67 4185,69 4.768,70 217.819,71 15.979,72 13.75,73 1.107,74 11.816,75 11.816,76 11.816,77 11.816,78 11.816,79 1.048,80 644,81 3.254,82 140.89,83 60,84 2.39,85 359,86 5.43,87 4.822,88 0.183,89 3.454,90 171,91 2.735,92 0.473,93 1.596,94 4.582,95 5.838,96 5.838,97 34.586,98 3.036,99 -2,100 -2,101 -1,102 4.659,103 123.328,104 1.181,105 -0.125,106 4.753,107 5.065,108 4.175,109 8.297,110 3.219,111 3.219,112 24,113 3.892,114 88.557,115 15.298,116 0.001,117 2.767,118 2.767,119 0.978,120 0.508,121 0.617,122 2.715,123 35,124 3.584,125 4.263,126 -1,127 -1,128 213.819,129 8,130 5.854,131 0.841,132 -0.109,133 2.814,134 2.814,135 3.933,136 -0.334,137 5.667}
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