@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL274

@attribute molecule_id {CHEMBL100336,CHEMBL100596,CHEMBL100958,CHEMBL101165,CHEMBL101333,CHEMBL101961,CHEMBL102674,CHEMBL102675,CHEMBL102826,CHEMBL103268,CHEMBL103343,CHEMBL103782,CHEMBL103790,CHEMBL103813,CHEMBL104464,CHEMBL104474,CHEMBL104628,CHEMBL104698,CHEMBL104793,CHEMBL104867,CHEMBL105109,CHEMBL105460,CHEMBL105570,CHEMBL105572,CHEMBL105606,CHEMBL105659,CHEMBL105784,CHEMBL105821,CHEMBL105975,CHEMBL105987,CHEMBL106098,CHEMBL106209,CHEMBL106231,CHEMBL106247,CHEMBL106264,CHEMBL106299,CHEMBL106369,CHEMBL106381,CHEMBL106406,CHEMBL106569,CHEMBL106767,CHEMBL106803,CHEMBL106907,CHEMBL106982,CHEMBL107092,CHEMBL107128,CHEMBL107154,CHEMBL107170,CHEMBL107380,CHEMBL107425,CHEMBL107439,CHEMBL1077350,CHEMBL1077351,CHEMBL1077352,CHEMBL1077353,CHEMBL1077354,CHEMBL1077355,CHEMBL1077358,CHEMBL1077359,CHEMBL1077360,CHEMBL1077361,CHEMBL1077362,CHEMBL1077363,CHEMBL1077364,CHEMBL1077365,CHEMBL107749,CHEMBL107750,CHEMBL1077779,CHEMBL1077912,CHEMBL1077988,CHEMBL1077989,CHEMBL1078013,CHEMBL1078014,CHEMBL1078015,CHEMBL1078072,CHEMBL1078141,CHEMBL1078231,CHEMBL1078335,CHEMBL1078647,CHEMBL1078648,CHEMBL1078659,CHEMBL1078710,CHEMBL1078711,CHEMBL1078712,CHEMBL1078713,CHEMBL1078714,CHEMBL1078723,CHEMBL1078753,CHEMBL1078936,CHEMBL1078937,CHEMBL1080794,CHEMBL1081476,CHEMBL1081477,CHEMBL1081486,CHEMBL1081625,CHEMBL1082191,CHEMBL1082201,CHEMBL1082202,CHEMBL1082487,CHEMBL1083126,CHEMBL1083437,CHEMBL1085217,CHEMBL1085218,CHEMBL1085219,CHEMBL1085220,CHEMBL1085221,CHEMBL1085222,CHEMBL1085223,CHEMBL1085224,CHEMBL1085225,CHEMBL1085226,CHEMBL1085228,CHEMBL1085229,CHEMBL1085230,CHEMBL1085231,CHEMBL1085232,CHEMBL108569,CHEMBL1085721,CHEMBL1085722,CHEMBL1085723,CHEMBL1087028,CHEMBL1087153,CHEMBL1087533,CHEMBL1087534,CHEMBL1087535,CHEMBL108845,CHEMBL1090041,CHEMBL109051,CHEMBL109158,CHEMBL1093137,CHEMBL1093331,CHEMBL1094518,CHEMBL1095191,CHEMBL1095517,CHEMBL1095518,CHEMBL1095815,CHEMBL1095816,CHEMBL1095827,CHEMBL1096101,CHEMBL1096102,CHEMBL1096445,CHEMBL1096446,CHEMBL1096447,CHEMBL1096486,CHEMBL1096764,CHEMBL1096765,CHEMBL1096766,CHEMBL1096768,CHEMBL1097169,CHEMBL1097170,CHEMBL1097515,CHEMBL1097815,CHEMBL1097816,CHEMBL1098014,CHEMBL1098150,CHEMBL1098151,CHEMBL1098357,CHEMBL1098664,CHEMBL1098665,CHEMBL110463,CHEMBL110786,CHEMBL110871,CHEMBL111982,CHEMBL111998,CHEMBL112299,CHEMBL112659,CHEMBL112686,CHEMBL112760,CHEMBL113042,CHEMBL113072,CHEMBL113154,CHEMBL113436,CHEMBL113648,CHEMBL115487,CHEMBL115716,CHEMBL116008,CHEMBL1169745,CHEMBL1169819,CHEMBL1170471,CHEMBL1170529,CHEMBL1170660,CHEMBL1170661,CHEMBL1170694,CHEMBL1170738,CHEMBL1170873,CHEMBL1170874,CHEMBL1170875,CHEMBL1170876,CHEMBL1170877,CHEMBL1170878,CHEMBL1170923,CHEMBL1170924,CHEMBL1170925,CHEMBL1171008,CHEMBL1171029,CHEMBL1171030,CHEMBL1171069,CHEMBL1171095,CHEMBL1171096,CHEMBL1171103,CHEMBL1171289,CHEMBL1171290,CHEMBL1171291,CHEMBL1171786,CHEMBL1171965,CHEMBL1171966,CHEMBL1172035,CHEMBL1172036,CHEMBL1172037,CHEMBL1172038,CHEMBL1172039,CHEMBL1172040,CHEMBL1172041,CHEMBL1172042,CHEMBL1172043,CHEMBL1172044,CHEMBL1172045,CHEMBL1172046,CHEMBL1172047,CHEMBL1172048,CHEMBL1172049,CHEMBL1172050,CHEMBL1172051,CHEMBL1172052,CHEMBL1172053,CHEMBL1172070,CHEMBL1172157,CHEMBL1172438,CHEMBL1172439,CHEMBL1172622,CHEMBL1172623,CHEMBL1172624,CHEMBL1172625,CHEMBL1172626,CHEMBL1172870,CHEMBL1172871,CHEMBL1173007,CHEMBL1173072,CHEMBL1173133,CHEMBL1173134,CHEMBL1173204,CHEMBL1173642,CHEMBL1173645,CHEMBL1173646,CHEMBL1173647,CHEMBL1173707,CHEMBL1173708,CHEMBL1173710,CHEMBL1173712,CHEMBL118196,CHEMBL118501,CHEMBL118544,CHEMBL1201187,CHEMBL120204,CHEMBL120419,CHEMBL120513,CHEMBL120569,CHEMBL120584,CHEMBL121321,CHEMBL1222765,CHEMBL1222766,CHEMBL1222767,CHEMBL1222768,CHEMBL1222769,CHEMBL1222770,CHEMBL1222771,CHEMBL1222772,CHEMBL1222773,CHEMBL1222774,CHEMBL1222775,CHEMBL1222776,CHEMBL1222777,CHEMBL1255794,CHEMBL1269386,CHEMBL1269387,CHEMBL1269884,CHEMBL1269992,CHEMBL1270101,CHEMBL1270209,CHEMBL1270303,CHEMBL1270400,CHEMBL1270401,CHEMBL1270493,CHEMBL1270594,CHEMBL1270693,CHEMBL1270798,CHEMBL1270900,CHEMBL1271000,CHEMBL1271107,CHEMBL1271108,CHEMBL1271207,CHEMBL1271208,CHEMBL1271310,CHEMBL1271418,CHEMBL1288663,CHEMBL1288872,CHEMBL1288873,CHEMBL1288874,CHEMBL1288875,CHEMBL1288876,CHEMBL1288877,CHEMBL1288878,CHEMBL1288879,CHEMBL1288880,CHEMBL1288909,CHEMBL1288910,CHEMBL1288911,CHEMBL1288912,CHEMBL1288913,CHEMBL1288914,CHEMBL1288915,CHEMBL1288916,CHEMBL1288917,CHEMBL1288918,CHEMBL1288919,CHEMBL1288920,CHEMBL1288921,CHEMBL1288922,CHEMBL1288923,CHEMBL1288924,CHEMBL135432,CHEMBL136977,CHEMBL137038,CHEMBL137072,CHEMBL137154,CHEMBL137206,CHEMBL137272,CHEMBL137327,CHEMBL137419,CHEMBL137524,CHEMBL137650,CHEMBL137728,CHEMBL137856,CHEMBL137934,CHEMBL138028,CHEMBL138143,CHEMBL138198,CHEMBL138263,CHEMBL138274,CHEMBL138282,CHEMBL138285,CHEMBL138437,CHEMBL138502,CHEMBL138640,CHEMBL138645,CHEMBL138655,CHEMBL138879,CHEMBL138975,CHEMBL139029,CHEMBL139246,CHEMBL139253,CHEMBL139459,CHEMBL139559,CHEMBL139607,CHEMBL139701,CHEMBL140003,CHEMBL140183,CHEMBL140201,CHEMBL140283,CHEMBL140390,CHEMBL140418,CHEMBL140484,CHEMBL140490,CHEMBL140552,CHEMBL140706,CHEMBL140827,CHEMBL140887,CHEMBL140912,CHEMBL140922,CHEMBL141201,CHEMBL141202,CHEMBL141301,CHEMBL141345,CHEMBL141683,CHEMBL141699,CHEMBL141802,CHEMBL142021,CHEMBL142022,CHEMBL157491,CHEMBL157983,CHEMBL158438,CHEMBL158754,CHEMBL159018,CHEMBL159097,CHEMBL161093,CHEMBL161480,CHEMBL161587,CHEMBL161594,CHEMBL161664,CHEMBL1618631,CHEMBL1621896,CHEMBL1623307,CHEMBL1628706,CHEMBL162880,CHEMBL162946,CHEMBL163078,CHEMBL164484,CHEMBL1649910,CHEMBL1649911,CHEMBL1649912,CHEMBL1649913,CHEMBL1649914,CHEMBL1649915,CHEMBL1649916,CHEMBL1649917,CHEMBL1649918,CHEMBL1649919,CHEMBL1649920,CHEMBL1649921,CHEMBL1649922,CHEMBL1649923,CHEMBL1649924,CHEMBL1649925,CHEMBL1649926,CHEMBL1649927,CHEMBL1649928,CHEMBL1649929,CHEMBL1649930,CHEMBL1649931,CHEMBL1649932,CHEMBL1649933,CHEMBL1668019,CHEMBL1668020,CHEMBL1668021,CHEMBL1668022,CHEMBL1683055,CHEMBL1683059,CHEMBL1683060,CHEMBL1683061,CHEMBL1683062,CHEMBL1683063,CHEMBL1683064,CHEMBL1683065,CHEMBL1683066,CHEMBL1683067,CHEMBL1683068,CHEMBL1683069,CHEMBL1683070,CHEMBL1683071,CHEMBL1683072,CHEMBL1683073,CHEMBL1683074,CHEMBL1683075,CHEMBL1683190,CHEMBL1687948,CHEMBL1688239,CHEMBL1688240,CHEMBL1688241,CHEMBL1688242,CHEMBL1688243,CHEMBL1688244,CHEMBL1688245,CHEMBL1688888,CHEMBL1688889,CHEMBL170118,CHEMBL170543,CHEMBL170717,CHEMBL170829,CHEMBL170892,CHEMBL170987,CHEMBL171468,CHEMBL17157,CHEMBL171911,CHEMBL171958,CHEMBL172004,CHEMBL172013,CHEMBL172019,CHEMBL172079,CHEMBL172090,CHEMBL172296,CHEMBL172322,CHEMBL172327,CHEMBL172371,CHEMBL172436,CHEMBL172551,CHEMBL172659,CHEMBL172721,CHEMBL172761,CHEMBL172806,CHEMBL172820,CHEMBL172845,CHEMBL172854,CHEMBL172894,CHEMBL172916,CHEMBL172944,CHEMBL173019,CHEMBL173064,CHEMBL173091,CHEMBL173095,CHEMBL173202,CHEMBL173254,CHEMBL173262,CHEMBL173308,CHEMBL173400,CHEMBL173479,CHEMBL173482,CHEMBL173492,CHEMBL173583,CHEMBL173609,CHEMBL173630,CHEMBL174004,CHEMBL174214,CHEMBL174283,CHEMBL174303,CHEMBL174304,CHEMBL174457,CHEMBL174904,CHEMBL174927,CHEMBL174996,CHEMBL175079,CHEMBL175327,CHEMBL175341,CHEMBL175348,CHEMBL175394,CHEMBL175424,CHEMBL1760024,CHEMBL1762143,CHEMBL1762303,CHEMBL1762304,CHEMBL1762306,CHEMBL1762307,CHEMBL1762308,CHEMBL1762309,CHEMBL1762311,CHEMBL1762312,CHEMBL1762313,CHEMBL1762314,CHEMBL1762315,CHEMBL1762316,CHEMBL1762317,CHEMBL1762318,CHEMBL1762319,CHEMBL1762320,CHEMBL1762324,CHEMBL1762326,CHEMBL1762327,CHEMBL1762329,CHEMBL1762330,CHEMBL1762331,CHEMBL1762332,CHEMBL1762333,CHEMBL1762334,CHEMBL1762335,CHEMBL1762336,CHEMBL1762337,CHEMBL1762338,CHEMBL1762339,CHEMBL1762463,CHEMBL1762464,CHEMBL1762466,CHEMBL1762467,CHEMBL1762468,CHEMBL176337,CHEMBL176391,CHEMBL176392,CHEMBL176426,CHEMBL176459,CHEMBL176528,CHEMBL176571,CHEMBL176604,CHEMBL176624,CHEMBL176655,CHEMBL176669,CHEMBL176850,CHEMBL176859,CHEMBL176933,CHEMBL176980,CHEMBL177033,CHEMBL177071,CHEMBL177127,CHEMBL177156,CHEMBL177157,CHEMBL177168,CHEMBL177204,CHEMBL177205,CHEMBL177648,CHEMBL178189,CHEMBL178319,CHEMBL178337,CHEMBL1784384,CHEMBL1784385,CHEMBL1784386,CHEMBL1784387,CHEMBL1784388,CHEMBL1784389,CHEMBL1784390,CHEMBL1784391,CHEMBL1784394,CHEMBL1784395,CHEMBL1784396,CHEMBL1784397,CHEMBL1784398,CHEMBL1784399,CHEMBL1784400,CHEMBL1784401,CHEMBL1784402,CHEMBL1784403,CHEMBL1784404,CHEMBL1784478,CHEMBL1784479,CHEMBL1784480,CHEMBL1784481,CHEMBL1784482,CHEMBL1784483,CHEMBL178477,CHEMBL179141,CHEMBL179209,CHEMBL179858,CHEMBL179877,CHEMBL179950,CHEMBL179993,CHEMBL180013,CHEMBL180095,CHEMBL180155,CHEMBL180184,CHEMBL180274,CHEMBL180334,CHEMBL180498,CHEMBL180656,CHEMBL180685,CHEMBL181260,CHEMBL1813269,CHEMBL1813270,CHEMBL1813271,CHEMBL1813432,CHEMBL1813433,CHEMBL1813434,CHEMBL1813435,CHEMBL1813436,CHEMBL1813437,CHEMBL1813438,CHEMBL1813439,CHEMBL1813440,CHEMBL1813443,CHEMBL1813444,CHEMBL1813445,CHEMBL1813446,CHEMBL1813447,CHEMBL1813448,CHEMBL1813449,CHEMBL1813450,CHEMBL1813451,CHEMBL1813454,CHEMBL1813457,CHEMBL181502,CHEMBL1817909,CHEMBL1817910,CHEMBL1817911,CHEMBL1817912,CHEMBL1817913,CHEMBL1817914,CHEMBL1817915,CHEMBL1817916,CHEMBL1817917,CHEMBL181858,CHEMBL181913,CHEMBL181967,CHEMBL182010,CHEMBL182074,CHEMBL182083,CHEMBL182188,CHEMBL182234,CHEMBL182266,CHEMBL182274,CHEMBL182279,CHEMBL182380,CHEMBL182403,CHEMBL182557,CHEMBL182682,CHEMBL182684,CHEMBL182731,CHEMBL182780,CHEMBL182817,CHEMBL182878,CHEMBL182929,CHEMBL182940,CHEMBL183261,CHEMBL183293,CHEMBL183406,CHEMBL183409,CHEMBL183492,CHEMBL183514,CHEMBL183553,CHEMBL183554,CHEMBL183709,CHEMBL183710,CHEMBL183746,CHEMBL183769,CHEMBL183875,CHEMBL183885,CHEMBL183907,CHEMBL1907216,CHEMBL1910166,CHEMBL1910167,CHEMBL1910168,CHEMBL191139,CHEMBL191803,CHEMBL192456,CHEMBL1926872,CHEMBL1926873,CHEMBL1926874,CHEMBL1926875,CHEMBL1926876,CHEMBL1926877,CHEMBL1926878,CHEMBL1926880,CHEMBL1926882,CHEMBL1926883,CHEMBL1926884,CHEMBL1926885,CHEMBL1926886,CHEMBL1926887,CHEMBL1926888,CHEMBL1926889,CHEMBL1926890,CHEMBL1926891,CHEMBL1926892,CHEMBL1926893,CHEMBL1926894,CHEMBL1926895,CHEMBL1926896,CHEMBL1926897,CHEMBL1926898,CHEMBL1926899,CHEMBL1926900,CHEMBL1926901,CHEMBL1926902,CHEMBL1926903,CHEMBL1926904,CHEMBL1926905,CHEMBL1927007,CHEMBL1927008,CHEMBL1927009,CHEMBL1927010,CHEMBL193440,CHEMBL193822,CHEMBL193972,CHEMBL193984,CHEMBL193988,CHEMBL194078,CHEMBL1944776,CHEMBL1944778,CHEMBL194497,CHEMBL1949696,CHEMBL1951892,CHEMBL1951893,CHEMBL1951894,CHEMBL1951895,CHEMBL1951896,CHEMBL1951897,CHEMBL1951898,CHEMBL1951899,CHEMBL1951900,CHEMBL1951901,CHEMBL1951902,CHEMBL1951903,CHEMBL1951904,CHEMBL1951905,CHEMBL1951906,CHEMBL1951907,CHEMBL1951908,CHEMBL1951909,CHEMBL1951910,CHEMBL1951911,CHEMBL1951912,CHEMBL1951913,CHEMBL1951914,CHEMBL1951915,CHEMBL1951916,CHEMBL1951917,CHEMBL1951918,CHEMBL195199,CHEMBL1952100,CHEMBL195433,CHEMBL195753,CHEMBL195930,CHEMBL196087,CHEMBL197641,CHEMBL197680,CHEMBL197714,CHEMBL197907,CHEMBL198114,CHEMBL198150,CHEMBL198277,CHEMBL198497,CHEMBL198758,CHEMBL198777,CHEMBL198884,CHEMBL199118,CHEMBL199119,CHEMBL199147,CHEMBL199258,CHEMBL2011439,CHEMBL2011440,CHEMBL2011441,CHEMBL2018969,CHEMBL202756,CHEMBL202814,CHEMBL20345,CHEMBL203536,CHEMBL2036782,CHEMBL20453,CHEMBL204743,CHEMBL204821,CHEMBL205021,CHEMBL205539,CHEMBL205706,CHEMBL2057533,CHEMBL2057534,CHEMBL2057807,CHEMBL2057808,CHEMBL2057809,CHEMBL2057810,CHEMBL2057811,CHEMBL2057812,CHEMBL2057813,CHEMBL2057814,CHEMBL2057815,CHEMBL2057816,CHEMBL2057817,CHEMBL2057818,CHEMBL2057819,CHEMBL205851,CHEMBL205964,CHEMBL20598,CHEMBL20602,CHEMBL206088,CHEMBL20622,CHEMBL2064162,CHEMBL2064163,CHEMBL2064164,CHEMBL2064263,CHEMBL2064264,CHEMBL2064265,CHEMBL2064266,CHEMBL207004,CHEMBL207085,CHEMBL207182,CHEMBL207190,CHEMBL207301,CHEMBL207447,CHEMBL207485,CHEMBL207487,CHEMBL207630,CHEMBL207633,CHEMBL207654,CHEMBL20818,CHEMBL20831,CHEMBL20896,CHEMBL209251,CHEMBL209278,CHEMBL20988,CHEMBL209899,CHEMBL210327,CHEMBL2105686,CHEMBL21058,CHEMBL21106,CHEMBL2110727,CHEMBL21117,CHEMBL2111747,CHEMBL211175,CHEMBL2112552,CHEMBL2112553,CHEMBL2112554,CHEMBL2112555,CHEMBL2112556,CHEMBL2112557,CHEMBL2112558,CHEMBL2112559,CHEMBL2112560,CHEMBL2112951,CHEMBL2112952,CHEMBL2113084,CHEMBL2113086,CHEMBL2113088,CHEMBL2113131,CHEMBL2114183,CHEMBL2114184,CHEMBL2114185,CHEMBL21147,CHEMBL21167,CHEMBL211775,CHEMBL211866,CHEMBL211903,CHEMBL212017,CHEMBL212087,CHEMBL212243,CHEMBL212408,CHEMBL212437,CHEMBL212689,CHEMBL212731,CHEMBL213009,CHEMBL213541,CHEMBL213914,CHEMBL214818,CHEMBL2164201,CHEMBL2164202,CHEMBL2164203,CHEMBL2164204,CHEMBL2164205,CHEMBL2164206,CHEMBL2164207,CHEMBL2164208,CHEMBL2164209,CHEMBL2164210,CHEMBL2164211,CHEMBL2164212,CHEMBL2164213,CHEMBL2164214,CHEMBL2164215,CHEMBL2164216,CHEMBL2164217,CHEMBL2164218,CHEMBL2164219,CHEMBL2164220,CHEMBL2178569,CHEMBL2178576,CHEMBL2178577,CHEMBL2180528,CHEMBL219769,CHEMBL219770,CHEMBL219781,CHEMBL220199,CHEMBL2203612,CHEMBL2203613,CHEMBL2203614,CHEMBL2203615,CHEMBL2203616,CHEMBL2203617,CHEMBL2203618,CHEMBL2203619,CHEMBL2203620,CHEMBL2203621,CHEMBL2205801,CHEMBL2205805,CHEMBL2205807,CHEMBL2205808,CHEMBL2205809,CHEMBL2205810,CHEMBL223686,CHEMBL226066,CHEMBL232409,CHEMBL232412,CHEMBL233385,CHEMBL233635,CHEMBL233638,CHEMBL2338390,CHEMBL2338391,CHEMBL2338392,CHEMBL2338393,CHEMBL233845,CHEMBL233846,CHEMBL233847,CHEMBL234017,CHEMBL234204,CHEMBL234206,CHEMBL234208,CHEMBL234461,CHEMBL234634,CHEMBL234672,CHEMBL234673,CHEMBL234674,CHEMBL234676,CHEMBL234843,CHEMBL234844,CHEMBL234894,CHEMBL234896,CHEMBL236421,CHEMBL236622,CHEMBL237896,CHEMBL238118,CHEMBL238545,CHEMBL238546,CHEMBL238549,CHEMBL238738,CHEMBL238759,CHEMBL238949,CHEMBL239144,CHEMBL239153,CHEMBL239154,CHEMBL239783,CHEMBL239998,CHEMBL240018,CHEMBL240037,CHEMBL240260,CHEMBL240636,CHEMBL240637,CHEMBL240638,CHEMBL240639,CHEMBL240640,CHEMBL240641,CHEMBL240655,CHEMBL240838,CHEMBL241057,CHEMBL241059,CHEMBL241097,CHEMBL241251,CHEMBL241468,CHEMBL241475,CHEMBL241476,CHEMBL241477,CHEMBL241497,CHEMBL241502,CHEMBL250689,CHEMBL255429,CHEMBL255430,CHEMBL255431,CHEMBL255535,CHEMBL255644,CHEMBL255645,CHEMBL255646,CHEMBL255854,CHEMBL255855,CHEMBL255856,CHEMBL255857,CHEMBL255858,CHEMBL256584,CHEMBL256792,CHEMBL257000,CHEMBL257081,CHEMBL257728,CHEMBL261935,CHEMBL261950,CHEMBL262402,CHEMBL262663,CHEMBL263529,CHEMBL263555,CHEMBL263787,CHEMBL264442,CHEMBL264659,CHEMBL264832,CHEMBL265131,CHEMBL265723,CHEMBL267576,CHEMBL26790,CHEMBL271075,CHEMBL271076,CHEMBL272064,CHEMBL272490,CHEMBL272556,CHEMBL272581,CHEMBL272716,CHEMBL275998,CHEMBL277279,CHEMBL277930,CHEMBL278085,CHEMBL278117,CHEMBL278383,CHEMBL279992,CHEMBL280344,CHEMBL281176,CHEMBL281607,CHEMBL282921,CHEMBL283788,CHEMBL284010,CHEMBL284380,CHEMBL284487,CHEMBL287515,CHEMBL292345,CHEMBL292548,CHEMBL292625,CHEMBL292894,CHEMBL293393,CHEMBL293882,CHEMBL293900,CHEMBL294271,CHEMBL294501,CHEMBL294788,CHEMBL301454,CHEMBL303503,CHEMBL303964,CHEMBL304931,CHEMBL305026,CHEMBL309447,CHEMBL309619,CHEMBL309657,CHEMBL309922,CHEMBL310106,CHEMBL310305,CHEMBL310369,CHEMBL310645,CHEMBL310780,CHEMBL311052,CHEMBL311248,CHEMBL311261,CHEMBL311532,CHEMBL311549,CHEMBL311795,CHEMBL312231,CHEMBL312344,CHEMBL312701,CHEMBL312808,CHEMBL312945,CHEMBL313071,CHEMBL313072,CHEMBL313216,CHEMBL313950,CHEMBL314077,CHEMBL314124,CHEMBL314342,CHEMBL314486,CHEMBL314551,CHEMBL315084,CHEMBL315159,CHEMBL315293,CHEMBL315707,CHEMBL316073,CHEMBL316189,CHEMBL316280,CHEMBL316475,CHEMBL316589,CHEMBL317476,CHEMBL317710,CHEMBL317860,CHEMBL317908,CHEMBL318210,CHEMBL318406,CHEMBL318681,CHEMBL318909,CHEMBL319233,CHEMBL319593,CHEMBL319622,CHEMBL319689,CHEMBL319697,CHEMBL320149,CHEMBL320365,CHEMBL320386,CHEMBL321267,CHEMBL321539,CHEMBL322232,CHEMBL322251,CHEMBL322422,CHEMBL322439,CHEMBL322603,CHEMBL322693,CHEMBL322817,CHEMBL323172,CHEMBL323370,CHEMBL323454,CHEMBL324284,CHEMBL324643,CHEMBL325276,CHEMBL325357,CHEMBL325556,CHEMBL325957,CHEMBL326020,CHEMBL326111,CHEMBL326487,CHEMBL327186,CHEMBL327241,CHEMBL327354,CHEMBL327392,CHEMBL327478,CHEMBL327484,CHEMBL327540,CHEMBL327703,CHEMBL327800,CHEMBL327801,CHEMBL327846,CHEMBL327880,CHEMBL327898,CHEMBL328024,CHEMBL328025,CHEMBL328088,CHEMBL328260,CHEMBL328297,CHEMBL328339,CHEMBL328373,CHEMBL328438,CHEMBL328445,CHEMBL328888,CHEMBL328898,CHEMBL328908,CHEMBL329107,CHEMBL329131,CHEMBL329140,CHEMBL329146,CHEMBL329190,CHEMBL329382,CHEMBL329417,CHEMBL329555,CHEMBL329813,CHEMBL329893,CHEMBL330065,CHEMBL330285,CHEMBL330486,CHEMBL330528,CHEMBL330570,CHEMBL330734,CHEMBL331007,CHEMBL331140,CHEMBL331754,CHEMBL332458,CHEMBL332908,CHEMBL33330,CHEMBL33335,CHEMBL333619,CHEMBL334470,CHEMBL335120,CHEMBL335365,CHEMBL335562,CHEMBL335794,CHEMBL336246,CHEMBL336672,CHEMBL337340,CHEMBL337364,CHEMBL337776,CHEMBL337820,CHEMBL341758,CHEMBL341928,CHEMBL341945,CHEMBL342137,CHEMBL342452,CHEMBL342706,CHEMBL342842,CHEMBL343160,CHEMBL343366,CHEMBL343520,CHEMBL343745,CHEMBL343826,CHEMBL344261,CHEMBL344435,CHEMBL344607,CHEMBL344641,CHEMBL348667,CHEMBL349008,CHEMBL349974,CHEMBL350027,CHEMBL350563,CHEMBL350763,CHEMBL351625,CHEMBL352511,CHEMBL352514,CHEMBL352981,CHEMBL353330,CHEMBL353331,CHEMBL353827,CHEMBL354413,CHEMBL355749,CHEMBL355809,CHEMBL357557,CHEMBL359687,CHEMBL359752,CHEMBL359986,CHEMBL360044,CHEMBL360106,CHEMBL360120,CHEMBL360522,CHEMBL360524,CHEMBL360667,CHEMBL361414,CHEMBL361444,CHEMBL361585,CHEMBL362168,CHEMBL362388,CHEMBL362637,CHEMBL363564,CHEMBL363840,CHEMBL363999,CHEMBL364070,CHEMBL366260,CHEMBL366328,CHEMBL366400,CHEMBL366439,CHEMBL366450,CHEMBL366492,CHEMBL366494,CHEMBL366536,CHEMBL366600,CHEMBL366610,CHEMBL366611,CHEMBL366626,CHEMBL366742,CHEMBL366770,CHEMBL366868,CHEMBL366871,CHEMBL366873,CHEMBL367102,CHEMBL367169,CHEMBL367246,CHEMBL367383,CHEMBL367416,CHEMBL367421,CHEMBL367446,CHEMBL367461,CHEMBL367489,CHEMBL367529,CHEMBL367560,CHEMBL367586,CHEMBL367697,CHEMBL367700,CHEMBL367787,CHEMBL367837,CHEMBL367838,CHEMBL367863,CHEMBL367894,CHEMBL367897,CHEMBL367901,CHEMBL367916,CHEMBL367987,CHEMBL367988,CHEMBL368000,CHEMBL368098,CHEMBL368182,CHEMBL368183,CHEMBL368204,CHEMBL368265,CHEMBL368309,CHEMBL368329,CHEMBL368332,CHEMBL368333,CHEMBL368375,CHEMBL368459,CHEMBL368467,CHEMBL368517,CHEMBL368637,CHEMBL368757,CHEMBL368823,CHEMBL368979,CHEMBL369040,CHEMBL369059,CHEMBL369151,CHEMBL369189,CHEMBL369235,CHEMBL369277,CHEMBL369278,CHEMBL369311,CHEMBL369352,CHEMBL369398,CHEMBL369478,CHEMBL369494,CHEMBL369593,CHEMBL369632,CHEMBL369659,CHEMBL369812,CHEMBL369822,CHEMBL369947,CHEMBL370552,CHEMBL370826,CHEMBL370998,CHEMBL371177,CHEMBL371691,CHEMBL371865,CHEMBL372134,CHEMBL372297,CHEMBL372640,CHEMBL372733,CHEMBL372852,CHEMBL373214,CHEMBL375591,CHEMBL375781,CHEMBL377026,CHEMBL377551,CHEMBL377914,CHEMBL378035,CHEMBL379082,CHEMBL380005,CHEMBL380083,CHEMBL380447,CHEMBL382079,CHEMBL382252,CHEMBL382435,CHEMBL382436,CHEMBL385235,CHEMBL391128,CHEMBL391329,CHEMBL391378,CHEMBL391379,CHEMBL391886,CHEMBL392536,CHEMBL392658,CHEMBL392659,CHEMBL392868,CHEMBL393002,CHEMBL393004,CHEMBL393068,CHEMBL393069,CHEMBL393274,CHEMBL394115,CHEMBL394256,CHEMBL394684,CHEMBL394685,CHEMBL395607,CHEMBL395843,CHEMBL395844,CHEMBL397295,CHEMBL397296,CHEMBL397647,CHEMBL39879,CHEMBL401929,CHEMBL402242,CHEMBL402701,CHEMBL402776,CHEMBL404056,CHEMBL405634,CHEMBL406552,CHEMBL408438,CHEMBL408800,CHEMBL411640,CHEMBL41275,CHEMBL413058,CHEMBL413501,CHEMBL413972,CHEMBL414222,CHEMBL415879,CHEMBL416512,CHEMBL417825,CHEMBL418120,CHEMBL418954,CHEMBL419172,CHEMBL419895,CHEMBL420057,CHEMBL420242,CHEMBL420465,CHEMBL421168,CHEMBL421342,CHEMBL421356,CHEMBL421527,CHEMBL421598,CHEMBL422326,CHEMBL423000,CHEMBL423427,CHEMBL425168,CHEMBL425845,CHEMBL426048,CHEMBL426250,CHEMBL426385,CHEMBL426960,CHEMBL427122,CHEMBL427137,CHEMBL427144,CHEMBL427493,CHEMBL428104,CHEMBL429442,CHEMBL429641,CHEMBL430818,CHEMBL430867,CHEMBL430905,CHEMBL431009,CHEMBL431111,CHEMBL431795,CHEMBL431852,CHEMBL432010,CHEMBL432040,CHEMBL432170,CHEMBL432182,CHEMBL432360,CHEMBL432596,CHEMBL432713,CHEMBL433635,CHEMBL433793,CHEMBL433980,CHEMBL435259,CHEMBL435347,CHEMBL435472,CHEMBL435526,CHEMBL435538,CHEMBL435554,CHEMBL435709,CHEMBL435724,CHEMBL435727,CHEMBL435886,CHEMBL436245,CHEMBL436290,CHEMBL437302,CHEMBL437494,CHEMBL438898,CHEMBL439223,CHEMBL440137,CHEMBL440465,CHEMBL440554,CHEMBL441635,CHEMBL442619,CHEMBL442933,CHEMBL443106,CHEMBL443730,CHEMBL443936,CHEMBL444255,CHEMBL444497,CHEMBL444667,CHEMBL444915,CHEMBL444938,CHEMBL445003,CHEMBL445772,CHEMBL445836,CHEMBL445925,CHEMBL446187,CHEMBL446241,CHEMBL447808,CHEMBL448199,CHEMBL448610,CHEMBL449045,CHEMBL449125,CHEMBL449278,CHEMBL449621,CHEMBL449758,CHEMBL450639,CHEMBL451400,CHEMBL452864,CHEMBL452913,CHEMBL453404,CHEMBL454251,CHEMBL454253,CHEMBL454493,CHEMBL454841,CHEMBL455073,CHEMBL455570,CHEMBL456019,CHEMBL456224,CHEMBL456226,CHEMBL456425,CHEMBL457043,CHEMBL457044,CHEMBL457960,CHEMBL458157,CHEMBL458351,CHEMBL459378,CHEMBL459384,CHEMBL459567,CHEMBL459571,CHEMBL459598,CHEMBL459599,CHEMBL459600,CHEMBL459985,CHEMBL459986,CHEMBL460008,CHEMBL460009,CHEMBL460217,CHEMBL460628,CHEMBL460629,CHEMBL460630,CHEMBL460845,CHEMBL461687,CHEMBL461688,CHEMBL461689,CHEMBL461690,CHEMBL463874,CHEMBL464054,CHEMBL464055,CHEMBL464132,CHEMBL465106,CHEMBL465416,CHEMBL468150,CHEMBL469542,CHEMBL469649,CHEMBL469724,CHEMBL469855,CHEMBL469856,CHEMBL470507,CHEMBL470510,CHEMBL470512,CHEMBL470578,CHEMBL471149,CHEMBL471218,CHEMBL471251,CHEMBL471403,CHEMBL471542,CHEMBL471623,CHEMBL471722,CHEMBL471765,CHEMBL471766,CHEMBL471844,CHEMBL471909,CHEMBL471920,CHEMBL472260,CHEMBL472412,CHEMBL472464,CHEMBL472798,CHEMBL472799,CHEMBL472953,CHEMBL473348,CHEMBL473352,CHEMBL473353,CHEMBL473558,CHEMBL473584,CHEMBL473651,CHEMBL473759,CHEMBL474154,CHEMBL474838,CHEMBL475606,CHEMBL475777,CHEMBL479627,CHEMBL480503,CHEMBL480504,CHEMBL480693,CHEMBL480890,CHEMBL481068,CHEMBL481080,CHEMBL481274,CHEMBL481980,CHEMBL484427,CHEMBL489323,CHEMBL489324,CHEMBL489512,CHEMBL489513,CHEMBL491153,CHEMBL491154,CHEMBL491319,CHEMBL491320,CHEMBL491328,CHEMBL491483,CHEMBL491679,CHEMBL492292,CHEMBL492503,CHEMBL492544,CHEMBL492728,CHEMBL492854,CHEMBL492897,CHEMBL492960,CHEMBL493312,CHEMBL493884,CHEMBL495291,CHEMBL495297,CHEMBL495298,CHEMBL495654,CHEMBL495854,CHEMBL499109,CHEMBL499389,CHEMBL499483,CHEMBL499729,CHEMBL499793,CHEMBL500523,CHEMBL500631,CHEMBL500824,CHEMBL501077,CHEMBL501085,CHEMBL501383,CHEMBL501941,CHEMBL502432,CHEMBL502593,CHEMBL502909,CHEMBL502927,CHEMBL503033,CHEMBL503631,CHEMBL503711,CHEMBL503915,CHEMBL504250,CHEMBL505270,CHEMBL505443,CHEMBL505556,CHEMBL505595,CHEMBL505908,CHEMBL506273,CHEMBL506788,CHEMBL506795,CHEMBL506958,CHEMBL507098,CHEMBL507223,CHEMBL508114,CHEMBL508250,CHEMBL509179,CHEMBL509298,CHEMBL509665,CHEMBL511154,CHEMBL511493,CHEMBL511494,CHEMBL511634,CHEMBL511806,CHEMBL512035,CHEMBL513564,CHEMBL514000,CHEMBL514410,CHEMBL514749,CHEMBL515097,CHEMBL515261,CHEMBL516027,CHEMBL516939,CHEMBL517893,CHEMBL518326,CHEMBL518640,CHEMBL518794,CHEMBL518924,CHEMBL519278,CHEMBL519298,CHEMBL519317,CHEMBL520091,CHEMBL520755,CHEMBL521529,CHEMBL521699,CHEMBL522158,CHEMBL522259,CHEMBL522493,CHEMBL522659,CHEMBL522669,CHEMBL523267,CHEMBL523512,CHEMBL524001,CHEMBL524050,CHEMBL524159,CHEMBL535172,CHEMBL535616,CHEMBL536063,CHEMBL536288,CHEMBL536298,CHEMBL536743,CHEMBL536751,CHEMBL536754,CHEMBL537424,CHEMBL537425,CHEMBL538084,CHEMBL538336,CHEMBL539854,CHEMBL539943,CHEMBL540108,CHEMBL540366,CHEMBL556188,CHEMBL556314,CHEMBL556798,CHEMBL556995,CHEMBL557015,CHEMBL557150,CHEMBL557199,CHEMBL557789,CHEMBL558043,CHEMBL559168,CHEMBL56565,CHEMBL58004,CHEMBL58101,CHEMBL58109,CHEMBL58176,CHEMBL58248,CHEMBL58387,CHEMBL58441,CHEMBL58897,CHEMBL59101,CHEMBL59285,CHEMBL592918,CHEMBL592940,CHEMBL592944,CHEMBL592993,CHEMBL592997,CHEMBL593027,CHEMBL593042,CHEMBL593046,CHEMBL593080,CHEMBL593111,CHEMBL593177,CHEMBL593184,CHEMBL593195,CHEMBL593204,CHEMBL593205,CHEMBL59328,CHEMBL593442,CHEMBL593520,CHEMBL59358,CHEMBL593605,CHEMBL594208,CHEMBL594914,CHEMBL59492,CHEMBL59511,CHEMBL595559,CHEMBL595570,CHEMBL595584,CHEMBL595610,CHEMBL595760,CHEMBL595902,CHEMBL59602,CHEMBL596081,CHEMBL596165,CHEMBL596299,CHEMBL596519,CHEMBL596523,CHEMBL60225,CHEMBL60279,CHEMBL603325,CHEMBL604070,CHEMBL604375,CHEMBL604680,CHEMBL605727,CHEMBL60589,CHEMBL60711,CHEMBL61208,CHEMBL61267,CHEMBL61373,CHEMBL61374,CHEMBL61424,CHEMBL61465,CHEMBL61466,CHEMBL61536,CHEMBL61828,CHEMBL62152,CHEMBL62180,CHEMBL62339,CHEMBL62454,CHEMBL62549,CHEMBL62598,CHEMBL62611,CHEMBL63757,CHEMBL64163,CHEMBL64322,CHEMBL64591,CHEMBL65605,CHEMBL65649,CHEMBL65681,CHEMBL65696,CHEMBL66301,CHEMBL66623,CHEMBL67172,CHEMBL67281,CHEMBL67563,CHEMBL69581,CHEMBL69642,CHEMBL69670,CHEMBL70010,CHEMBL70124,CHEMBL78535,CHEMBL79061,CHEMBL79315,CHEMBL79369,CHEMBL79504,CHEMBL79530,CHEMBL79566,CHEMBL79622,CHEMBL79667,CHEMBL79697,CHEMBL79716,CHEMBL79770,CHEMBL79882,CHEMBL79907,CHEMBL79930,CHEMBL79958,CHEMBL80043,CHEMBL81245,CHEMBL81252,CHEMBL81692,CHEMBL81719,CHEMBL81926,CHEMBL82048,CHEMBL82168,CHEMBL82207,CHEMBL82301,CHEMBL82786,CHEMBL82838,CHEMBL82879,CHEMBL82880,CHEMBL83057,CHEMBL83107,CHEMBL83113,CHEMBL83311,CHEMBL83335,CHEMBL83338,CHEMBL83683,CHEMBL83745,CHEMBL83773,CHEMBL83818,CHEMBL83823,CHEMBL83882,CHEMBL83957,CHEMBL83963,CHEMBL84029,CHEMBL84120,CHEMBL84268,CHEMBL84309,CHEMBL84351,CHEMBL84374,CHEMBL85086,CHEMBL86419,CHEMBL87167,CHEMBL88159,CHEMBL88164,CHEMBL88197,CHEMBL88219,CHEMBL88261,CHEMBL88319,CHEMBL88344,CHEMBL88455,CHEMBL88644,CHEMBL88927,CHEMBL88928,CHEMBL88976,CHEMBL89167,CHEMBL89221,CHEMBL89251,CHEMBL89279,CHEMBL89445,CHEMBL89715,CHEMBL89929,CHEMBL89958,CHEMBL90015,CHEMBL90129,CHEMBL90141,CHEMBL90152,CHEMBL90272,CHEMBL90291,CHEMBL90385,CHEMBL90620,CHEMBL90691,CHEMBL90747,CHEMBL90841,CHEMBL91045,CHEMBL91339,CHEMBL91374,CHEMBL91413,CHEMBL91522,CHEMBL91697,CHEMBL91793,CHEMBL91892,CHEMBL92013,CHEMBL92094,CHEMBL92133,CHEMBL92147,CHEMBL92791,CHEMBL92803,CHEMBL92861,CHEMBL93139,CHEMBL93168,CHEMBL93229,CHEMBL93277,CHEMBL93457,CHEMBL93625,CHEMBL93644,CHEMBL93691,CHEMBL93851,CHEMBL93887,CHEMBL93949,CHEMBL93961,CHEMBL94031,CHEMBL94032,CHEMBL94179,CHEMBL94182,CHEMBL96217,CHEMBL96242,CHEMBL964,CHEMBL99384,CHEMBL99788,CHEMBL99909}
@attribute CATS2D_08_NL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_NL numeric
@attribute nRCOOH numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute O.057 numeric
@attribute nPyrazoles numeric
@attribute nROH numeric
@attribute C.034 numeric
@attribute NsssCH numeric
@attribute SdO numeric
@attribute F.084 numeric
@attribute SM09_AEA.ed. numeric
@attribute nRNR2 numeric
@attribute Eig01_EA.ed. numeric
@attribute SM10_AEA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute nCIR numeric
@attribute SM08_AEA.bo. numeric
@attribute CATS2D_04_NL numeric
@attribute Eig13_EA.bo. numeric
@attribute SM04_EA.ed. numeric
@attribute SM08_AEA.ed. numeric
@attribute CATS2D_05_NL numeric
@attribute Eig13_AEA.bo. numeric
@attribute SM07_AEA.ed. numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_09_NL numeric
@attribute SM06_AEA.ed. numeric
@attribute SM03_EA.ed. numeric
@attribute SM08_EA numeric
@attribute SpAD_AEA.dm. numeric
@attribute MWC03 numeric
@attribute ZM2 numeric
@attribute BBI numeric
@attribute MPC02 numeric
@attribute SM02_EA numeric
@attribute SRW06 numeric
@attribute ATS8p numeric
@attribute ATS8v numeric
@attribute SM07_EA numeric
@attribute SpMax6_Bh.v. numeric
@attribute N.073 numeric
@attribute ATSC8v numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig12_EA.bo. numeric
@attribute H.053 numeric
@attribute ATSC8p numeric
@attribute Xt numeric
@attribute Eig02_EA.ed. numeric
@attribute SM11_AEA.dm. numeric
@attribute GATS4e numeric
@attribute Eig01_AEA.ri. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpDiam_EA.ed. numeric
@attribute VAR numeric
@attribute CATS2D_03_DA numeric
@attribute ATS7p numeric
@attribute Sp numeric
@attribute CATS2D_02_AA numeric
@attribute ATS1v numeric
@attribute Eig01_AEA.ed. numeric
@attribute SpMax_AEA.ed. numeric
@attribute ATS8e numeric
@attribute SAdon numeric
@attribute pXC50 numeric

@data
{1 1,4 1,5 1,6 2,7 1,8 1,9 1,11 2,13 3,14 10.891,16 18.245,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.94,23 2,24 1.387,25 10.946,26 16.404,27 1,28 2.387,29 14.583,30 1,31 1,33 12.789,34 7.955,35 10.37,36 64.104,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.27,43 4.69,44 4.503,45 9.094,46 3.391,48 33.038,49 6.559,50 1.5,51 5,52 22.772,53 0.185,54 10.451,55 10.451,56 0.709,57 4.242,58 4.242,59 18.633,60 255,62 4.698,63 54.887,65 3.992,66 6.972,67 6.972,68 5.562,69 85.367,70 8.301}
{0 CHEMBL100596,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 2,13 4,14 12.494,16 18.462,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.965,23 4,24 1.387,25 11.106,26 16.594,27 2,28 2.391,29 14.742,30 2,31 1,33 12.914,34 8.072,35 10.489,36 62.971,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.269,43 4.717,44 4.556,45 9.21,46 3.334,48 33.124,49 6.774,50 1.5,51 5,52 23.007,53 0.187,54 11.107,55 11.107,56 0.919,57 4.243,58 4.243,59 18.807,60 234,61 1,62 4.725,63 53.126,65 3.964,66 6.972,67 6.972,68 5.583,69 85.367,70 8.301}
{0 CHEMBL100958,11 1,13 4,14 13.084,16 18.478,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.979,24 1.392,25 11.125,26 16.61,28 2.394,29 14.759,33 12.931,34 8.087,35 10.503,36 64.731,37 6.168,38 238,39 59,40 4.094,41 4.779,42 7.287,43 4.791,44 4.621,45 9.223,46 3.342,48 36.312,49 6.794,50 1.5,51 5,52 25.123,53 0.185,54 11.192,55 11.192,56 1.049,57 4.243,58 4.243,59 18.815,60 246,62 4.821,63 54.887,64 1,65 3.989,66 6.972,67 6.972,68 5.673,69 42.683,70 8.398}
{0 CHEMBL101165,16 16.703,18 9.232,19 9.232,20 9.232,21 2,22 12.148,24 -2.393,25 9.533,26 14.947,28 -0.5,29 13.208,33 11.488,34 6.475,35 8.905,36 21.89,37 5.069,38 79,39 20,40 3.045,41 3.714,42 6.188,43 2.11,44 1.753,45 7.637,46 2.417,48 3.312,49 5.166,50 -1.899,52 2.276,53 0.317,54 6.455,55 6.455,56 0.885,57 3.884,58 3.884,59 15.507,60 24,62 2.633,63 17.818,65 2.901,66 6.184,67 6.184,68 3.143,70 4.93}
{0 CHEMBL101333,11 1,13 4,14 13.889,16 18.514,17 2,18 11.778,19 11.778,20 11.778,21 6,22 13.111,24 1.5,25 11.18,26 16.654,28 2.5,29 14.813,33 12.996,34 8.136,35 10.56,36 74.852,37 6.308,38 274,39 68,40 4.234,41 4.92,42 7.422,43 5.037,44 4.879,45 9.27,46 3.583,48 44.366,49 6.795,50 1.728,51 5,52 31.167,53 0.17,54 11.199,55 11.199,56 1.204,57 4.243,58 4.243,59 18.819,60 318,62 4.981,63 62.41,64 1,65 4.128,66 6.972,67 6.972,68 5.843,69 42.683,70 8.444}
{0 CHEMBL101961,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 2,13 3,14 12.395,16 18.462,17 2,18 11.778,19 11.778,20 11.778,21 5,22 13.05,23 4,24 1.5,25 11.106,26 16.594,27 2,28 2.5,29 14.742,30 2,31 1,33 12.914,34 8.072,35 10.489,36 62.93,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.269,43 4.643,44 4.501,45 9.21,46 3.33,48 29.719,49 6.774,50 1.5,51 5,52 21.177,53 0.187,54 11.107,55 11.107,56 0.856,57 4.243,58 4.243,59 18.807,60 234,61 1,62 4.656,63 50.841,65 3.933,66 6.972,67 6.972,68 5.469,69 85.367,70 9.097}
{0 CHEMBL102674,1 3,2 1,3 1,4 2,5 1,7 1,8 1,9 1,11 2,13 2,14 11.264,16 18.153,17 2,18 11.778,19 11.778,20 11.778,21 4,22 12.787,23 2,24 1,25 10.82,26 16.295,27 1,28 2.017,29 14.457,30 2,33 12.644,34 7.835,35 10.25,36 52.101,37 5.943,38 190,39 48,40 3.892,41 4.575,42 7.064,43 4.322,44 4.169,45 8.978,46 3.24,48 22.743,49 6.559,50 1.21,51 5,52 16.003,53 0.206,54 10.449,55 10.449,56 0.676,57 4.242,58 4.242,59 18.632,60 164,61 1,62 4.381,63 43.319,65 3.762,66 6.972,67 6.972,68 5.236,69 85.367,70 8.222}
{0 CHEMBL102675,1 3,2 1,3 1,4 2,5 1,7 1,8 1,9 1,11 2,13 3,14 11.595,16 18.3,17 2,18 11.778,19 11.778,20 11.778,21 4,22 12.868,23 2,24 1,25 10.931,26 16.44,27 1,28 2.039,29 14.596,30 2,31 1,33 12.773,34 7.936,35 10.354,36 54.136,37 5.989,38 199,39 50,40 3.932,41 4.615,42 7.116,43 4.432,44 4.271,45 9.093,46 3.29,48 25.217,49 6.607,50 1.211,51 5,52 17.739,53 0.204,54 10.588,55 10.588,56 0.943,57 4.242,58 4.242,59 18.697,60 175,61 1,62 4.463,63 45.08,65 3.797,66 6.972,67 6.972,68 5.323,69 85.367,70 8.523}
{0 CHEMBL102826,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.487,16 18.046,17 2,18 11.107,19 11.107,20 11.107,21 5,22 12.737,23 4,24 1.386,25 10.787,26 16.226,27 2,28 2.391,29 14.424,30 2,31 1,32 1,33 12.648,34 7.659,35 10.106,36 61.167,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.203,43 4.696,44 4.518,45 8.805,46 3.334,48 32.814,49 6.482,50 1.5,51 1,52 22.686,53 0.188,54 10.094,55 10.094,56 0.856,57 4.178,58 4.178,59 18.136,60 232,61 1,62 4.709,63 52.671,65 3.952,66 6.774,67 6.774,68 5.546,69 42.683,70 9.699}
{0 CHEMBL103268,6 3,7 1,8 1,9 1,11 2,13 3,14 11.504,16 18.375,17 2,18 11.778,19 11.778,20 11.778,21 5,22 13,23 2,24 1.386,25 11.035,26 16.521,27 1,28 2.386,29 14.683,30 2,31 2,33 12.869,34 8.025,35 10.442,36 62.864,37 6.142,38 232,39 58,40 4.078,41 4.762,42 7.265,43 4.682,44 4.512,45 9.169,46 3.322,48 32.299,49 6.559,50 1.476,51 5,52 22.337,53 0.187,54 10.451,55 10.451,56 0.853,57 4.242,58 4.242,59 18.633,60 180,62 4.681,63 53.126,65 3.964,66 6.972,67 6.972,68 5.542,69 85.367,70 7}
{0 CHEMBL103343,11 2,13 4,16 18.377,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.878,24 1.21,25 11.032,26 16.515,28 2.228,29 14.67,33 12.848,34 8.011,35 10.427,36 60.52,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.233,43 4.73,44 4.547,45 9.145,46 3.331,48 34.099,49 6.648,50 1.424,51 5,52 23.524,53 0.188,54 10.749,55 10.749,56 0.988,57 4.243,58 4.243,59 18.793,60 222,61 1,62 4.736,63 53.433,65 3.96,66 6.972,67 6.972,68 5.596,69 85.367,70 9}
{0 CHEMBL103782,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.442,15 1,16 18.155,17 2,18 11.107,19 11.107,20 11.107,21 5,22 12.835,23 4,24 1.377,25 10.874,26 16.329,27 2,28 2.381,29 14.52,30 2,31 1,32 1,33 12.732,34 7.756,35 10.187,36 59.279,37 6.084,38 219,39 54,40 4.007,41 4.691,42 7.2,43 4.539,44 4.385,45 8.906,46 3.272,48 27.368,49 6.482,50 1.5,51 1,52 19.313,53 0.194,54 10.094,55 10.094,56 0.721,57 4.179,58 4.179,59 18.136,60 196,61 1,62 4.565,63 47.324,65 3.867,66 6.774,67 6.774,68 5.394,69 42.683,70 8.398}
{0 CHEMBL103790,11 1,13 3,16 18.366,17 2,18 11.778,19 11.778,20 11.778,21 6,22 13.108,24 1.5,25 11.063,26 16.526,28 2.5,29 14.705,33 12.908,34 8.057,35 10.48,36 68.211,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.358,43 4.717,44 4.53,45 9.209,46 3.531,47 1,48 33.802,49 6.559,50 1.5,51 5,52 22.676,53 0.177,54 10.451,55 10.451,56 0.966,57 4.242,58 4.242,59 18.633,60 270,62 4.735,63 56.859,64 1,65 4.026,66 6.972,67 6.972,68 5.594,69 59.346,70 9.398}
{0 CHEMBL103813,11 2,13 4,16 18.377,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.878,24 1.21,25 11.032,26 16.515,28 2.228,29 14.67,33 12.848,34 8.011,35 10.427,36 60.52,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.233,43 4.73,44 4.547,45 9.145,46 3.331,48 34.099,49 6.648,50 1.424,51 5,52 23.524,53 0.188,54 10.749,55 10.749,56 0.988,57 4.243,58 4.243,59 18.793,60 222,61 1,62 4.736,63 53.433,65 3.96,66 6.972,67 6.972,68 5.596,69 85.367,70 9}
{0 CHEMBL104464,13 2,14 34.794,16 18.045,17 1,18 9.928,19 9.928,20 9.928,21 5,22 13.176,24 1.632,25 10.806,26 16.264,28 2.596,29 14.497,33 12.749,34 7.745,35 10.157,36 72.834,37 6.248,38 258,39 64,40 4.174,41 4.86,42 7.345,43 4.626,44 4.497,45 8.887,46 3.444,47 1,48 27.373,49 6.21,50 1.708,51 4,52 18.638,53 0.175,54 9.336,55 9.336,56 1.258,57 3.937,58 3.937,59 16.57,60 288,62 4.583,63 53.279,64 7,65 3.976,66 6.447,67 6.447,68 5.432,70 6.955}
{0 CHEMBL104474,12 1,13 2,14 12.939,16 18.02,17 1,18 10.343,19 10.343,20 10.343,21 6,22 13.057,24 1.5,25 10.762,26 16.216,28 2.5,29 14.428,33 12.661,34 7.662,35 10.1,36 64.227,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.236,43 4.652,44 4.489,45 8.807,46 3.393,47 1,48 29.743,49 6.447,50 1.703,51 4,52 20.518,53 0.183,54 9.928,55 9.928,56 1.498,57 4.041,58 4.041,59 17.134,60 219,62 4.636,63 50.876,64 4,65 3.922,66 6.543,67 6.543,68 5.45,70 7.602}
{0 CHEMBL104628,13 3,14 26.558,16 18.712,17 1,18 13.654,19 13.654,20 13.654,21 5,22 13.324,24 1.199,25 11.161,26 16.767,28 2.308,29 14.847,33 12.96,34 8.067,35 10.566,36 58.659,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.195,43 4.531,44 4.343,45 9.262,46 3.351,48 25.633,49 6.538,50 1.5,51 1,52 20.548,53 0.193,54 10.33,55 10.33,56 1.314,57 4.448,58 4.448,59 21.734,60 208,62 4.568,63 48.16,64 3,65 3.88,66 7.673,67 7.673,68 5.294,70 7.602}
{0 CHEMBL104698,12 1,13 2,14 40.029,16 18.892,17 1,18 13.309,19 13.309,20 13.309,21 7,22 13.481,24 1.834,25 11.448,26 16.991,28 2.791,29 15.11,33 13.256,34 8.364,35 10.823,36 82.325,37 6.399,38 300,39 74,40 4.317,41 5.004,42 7.518,43 4.832,44 4.696,45 9.54,46 3.486,47 1,48 35.696,49 6.65,50 2.038,51 4,52 24.887,53 0.167,54 10.589,55 10.589,56 1.312,57 4.459,58 4.459,59 20.808,60 336,61 1,62 4.838,63 61.074,64 5,65 4.113,66 7.489,67 7.489,68 5.695,69 34.796,70 8.301}
{0 CHEMBL104793,12 1,13 3,14 39.703,16 18.398,17 1,18 10.703,19 10.703,20 10.703,21 7,22 13.314,24 1.831,25 11.106,26 16.58,28 2.791,29 14.776,33 12.993,34 7.995,35 10.455,36 80.125,37 6.361,38 289,39 71,40 4.277,41 4.963,42 7.463,43 4.777,44 4.649,45 9.179,46 3.47,47 1,48 32.564,49 6.518,50 2.037,51 4,52 22.945,53 0.168,54 10.226,55 10.226,56 1.359,57 4.158,58 4.158,59 17.77,60 322,61 1,62 4.763,63 59.313,64 5,65 4.088,66 6.677,67 6.677,68 5.618,69 34.796,70 8.155}
{0 CHEMBL104867,13 2,14 39.379,16 19.207,17 1,18 14.432,19 14.432,20 14.432,21 6,22 13.596,24 1.693,25 11.618,26 17.232,28 2.652,29 15.279,33 13.353,34 8.53,35 10.997,36 70.601,37 6.263,38 262,39 65,40 4.19,41 4.875,42 7.41,43 4.756,44 4.582,45 9.69,46 3.448,48 34.164,49 7.397,50 1.715,51 4,52 24.848,53 0.181,54 12.875,55 12.875,56 1.273,57 4.59,58 4.59,59 22.579,60 254,62 4.778,63 54.194,64 4,65 3.992,66 7.83,67 7.83,68 5.603,69 34.416,70 7.503}
{0 CHEMBL105109,13 3,14 26.09,16 18.021,17 1,18 10.646,19 10.646,20 10.646,21 5,22 12.965,24 1.5,25 10.766,26 16.223,28 2.5,29 14.44,33 12.677,34 7.667,35 10.131,36 62.794,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.225,43 4.453,44 4.327,45 8.852,46 3.372,48 22.741,49 6.156,50 1.546,52 16.655,53 0.189,54 9.121,55 9.121,56 0.991,57 4.135,58 4.135,59 17.63,60 208,61 1,62 4.458,63 47.966,64 2,65 3.881,66 6.666,67 6.666,68 5.233,69 18.011,70 6.602}
{0 CHEMBL105460,13 2,14 34.821,16 18.144,17 1,18 10.281,19 10.281,20 10.281,21 5,22 13.201,24 1.699,25 10.876,26 16.345,28 2.66,29 14.561,33 12.796,34 7.799,35 10.211,36 72.858,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.349,43 4.68,44 4.548,45 8.938,46 3.446,47 1,48 29.088,49 6.447,50 1.727,51 4,52 19.852,53 0.175,54 9.928,55 9.928,56 1.243,57 4.023,58 4.023,59 17.126,60 288,62 4.646,63 53.279,64 7,65 3.976,66 6.525,67 6.525,68 5.48,70 6.475}
{0 CHEMBL105570,12 1,13 1,14 34.842,16 18.745,17 1,18 13.291,19 13.291,20 13.291,21 6,22 13.421,24 1.704,25 11.288,26 16.841,28 2.676,29 14.959,33 13.105,34 8.233,35 10.665,36 72.415,37 6.263,38 262,39 65,40 4.19,41 4.875,42 7.386,43 4.716,44 4.554,45 9.384,46 3.418,47 1,48 32.904,49 6.518,50 1.755,51 4,52 22.478,53 0.178,54 10.22,55 10.22,56 1.178,57 4.451,58 4.451,59 20.779,60 275,62 4.739,63 53.79,64 5,65 3.981,66 7.486,67 7.486,68 5.552,70 8}
{0 CHEMBL105572,13 2,14 34.649,16 18.07,17 1,18 9.928,19 9.928,20 9.928,21 4,22 13.124,24 1.5,25 10.779,26 16.277,28 2.5,29 14.497,33 12.734,34 7.727,35 10.146,36 66.331,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.249,43 4.549,44 4.396,45 8.899,46 3.344,47 1,48 25.989,49 6.396,50 1.592,51 4,52 18.764,53 0.188,54 9.701,55 9.701,56 1.101,57 3.939,58 3.939,59 16.617,60 236,62 4.568,63 48.983,64 5,65 3.875,66 6.447,67 6.447,68 5.341,70 7.796}
{0 CHEMBL105606,13 2,14 34.578,16 17.825,17 1,18 9.928,19 9.928,20 9.928,21 4,22 12.945,24 1.5,25 10.588,26 16.049,28 2.5,29 14.288,33 12.545,34 7.538,35 9.939,36 61.826,37 6.075,38 217,39 54,40 4.007,41 4.691,42 7.166,43 4.441,44 4.295,45 8.677,46 3.326,47 1,48 24.242,49 6.166,50 1.5,51 4,52 16.134,53 0.19,54 9.168,55 9.168,56 1.163,57 3.929,58 3.929,59 16.57,60 216,62 4.461,63 46.512,64 6,65 3.825,66 6.447,67 6.447,68 5.305,70 7.553}
{0 CHEMBL105659,12 1,13 1,14 12.981,16 18.679,17 1,18 13.291,19 13.291,20 13.291,21 6,22 13.268,24 1.633,25 11.216,26 16.765,28 2.597,29 14.874,33 13.012,34 8.146,35 10.591,36 66.328,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.305,43 4.705,44 4.531,45 9.296,46 3.417,47 1,48 32.772,49 6.518,50 1.703,51 4,52 22.454,53 0.183,54 10.22,55 10.22,56 1.448,57 4.451,58 4.451,59 20.779,60 230,62 4.727,63 52.637,64 4,65 3.952,66 7.486,67 7.486,68 5.539,70 6.951}
{0 CHEMBL105784,13 1,14 13.084,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.902,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.2,44 4.043,45 9.353,46 3.081,48 18.693,49 6.784,50 1.258,51 4,52 14.176,53 0.203,54 10.975,55 10.975,56 0.921,57 4.409,58 4.409,59 20.555,60 160,62 4.37,63 44.563,64 1,65 3.778,66 7.472,67 7.472,68 5.035,69 32.897,70 8.469}
{0 CHEMBL105821,13 1,14 13.233,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.216,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.366,44 4.18,45 9.353,46 3.168,48 24.144,49 6.784,50 1.277,51 4,52 17.454,53 0.201,54 10.975,55 10.975,56 1.091,57 4.409,58 4.409,59 20.555,60 161,62 4.515,63 47.228,64 1,65 3.825,66 7.472,67 7.472,68 5.27,70 8.959}
{0 CHEMBL105975,12 1,13 3,14 39.655,16 18.419,17 1,18 10.705,19 10.705,20 10.705,21 7,22 13.353,24 1.919,25 11.13,26 16.604,28 2.859,29 14.803,33 13.022,34 8.03,35 10.482,36 80.317,37 6.372,38 292,39 72,40 4.29,41 4.977,42 7.48,43 4.778,44 4.659,45 9.216,46 3.437,47 1,48 31.125,49 6.518,50 2.044,51 4,52 22.586,53 0.169,54 10.227,55 10.227,56 1.277,57 4.159,58 4.159,59 17.772,60 336,61 1,62 4.75,63 59.171,64 5,65 4.085,66 6.677,67 6.677,68 5.582,69 34.796,70 8.699}
{0 CHEMBL105987,13 2,14 26.01,16 18.586,17 1,18 13.442,19 13.442,20 13.442,21 4,22 13.26,24 1.192,25 10.994,26 16.64,28 2.285,29 14.72,33 12.837,34 7.941,35 10.429,36 56.119,37 6.014,38 204,39 51,40 3.951,41 4.635,42 7.124,43 4.575,44 4.372,45 9.128,46 3.388,48 27.384,49 6.154,50 1.399,52 21.434,53 0.197,54 9.096,55 9.096,56 1.352,57 4.408,58 4.408,59 21.333,60 209,62 4.575,63 48.921,64 3,65 3.87,66 7.642,67 7.642,68 5.321,70 8.523}
{0 CHEMBL106098,13 1,14 25.279,16 18.817,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.331,24 1,25 11.323,26 16.899,28 2,29 15,33 13.124,34 8.258,35 10.679,36 60.988,37 6.098,38 222,39 55,40 4.025,41 4.71,42 7.251,43 4.253,44 4.093,45 9.412,46 3.126,48 20.565,49 6.858,50 1.291,51 4,52 15.108,53 0.202,54 11.226,55 11.226,56 1.032,57 4.41,58 4.41,59 20.588,60 170,62 4.432,63 45.921,64 1,65 3.803,66 7.472,67 7.472,68 5.153,70 7.745}
{0 CHEMBL106209,13 1,14 26.078,16 18.74,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.185,24 1,25 11.234,26 16.82,28 2,29 14.919,33 13.042,34 8.181,35 10.604,36 55.435,37 6.019,38 205,39 51,40 3.951,41 4.635,42 7.175,43 4.117,44 3.955,45 9.337,46 3.101,48 17.766,49 6.784,50 1.065,51 4,52 13.704,53 0.21,54 10.975,55 10.975,56 1.297,57 4.409,58 4.409,59 20.554,60 160,62 4.276,63 43.455,64 1,65 3.76,66 7.472,67 7.472,68 4.97,70 7.268}
{0 CHEMBL106231,10 1,13 2,14 34.757,16 18.05,17 1,18 9.928,19 9.928,20 9.928,21 6,22 13.218,24 1.706,25 10.811,26 16.267,28 2.773,29 14.497,33 12.745,34 7.745,35 10.17,36 70.055,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.319,43 4.656,44 4.509,45 8.901,46 3.401,47 1,48 29.162,49 6.267,50 1.997,51 4,52 20.164,53 0.179,54 9.562,55 9.562,56 1.241,57 3.985,58 3.985,59 16.57,60 262,62 4.626,63 52.029,64 4,65 3.954,66 6.447,67 6.447,68 5.449,70 7.569}
{0 CHEMBL106247,13 1,14 13.176,16 18.636,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.079,24 1,25 11.138,26 16.714,28 2,29 14.813,33 12.94,34 8.093,35 10.517,36 52.678,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.127,43 4.14,44 3.941,45 9.243,46 3.101,48 19.449,49 6.784,50 1,51 4,52 14.517,53 0.211,54 10.975,55 10.975,56 1.101,57 4.408,58 4.408,59 20.542,60 160,62 4.288,63 43.762,64 1,65 3.756,66 7.472,67 7.472,68 5.003,70 7.209}
{0 CHEMBL106264,13 1,14 13.259,16 18.722,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.233,24 1.5,25 11.243,26 16.809,28 2.5,29 14.916,33 13.051,34 8.187,35 10.614,36 61.252,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.279,43 4.281,44 4.109,45 9.332,46 3.18,48 22.109,49 6.784,50 1.5,51 4,52 15.359,53 0.193,54 10.975,55 10.975,56 1.204,57 4.408,58 4.408,59 20.542,60 202,62 4.401,63 49.932,64 1,65 3.908,66 7.472,67 7.472,68 5.139,70 6.444}
{0 CHEMBL106299,13 1,14 13.17,16 18.636,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.079,24 1,25 11.138,26 16.714,28 2,29 14.813,33 12.94,34 8.093,35 10.517,36 52.727,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.127,43 4.112,44 3.929,45 9.243,46 3.101,48 18.963,49 6.784,50 1,51 4,52 13.424,53 0.211,54 10.975,55 10.975,56 1.016,57 4.408,58 4.408,59 20.542,60 160,62 4.272,63 43.268,64 1,65 3.751,66 7.472,67 7.472,68 5.006,70 7.167}
{0 CHEMBL106369,13 1,14 13.19,16 18.646,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.092,24 1,25 11.151,26 16.726,28 2,29 14.827,33 12.956,34 8.109,35 10.528,36 53.76,37 5.999,38 201,39 50,40 3.932,41 4.615,42 7.148,43 4.138,44 3.974,45 9.254,46 3.101,48 19.389,49 6.784,50 1,51 4,52 13.25,53 0.208,54 10.975,55 10.975,56 0.97,57 4.408,58 4.408,59 20.542,60 180,62 4.287,63 44.626,64 1,65 3.777,66 7.472,67 7.472,68 5.08,70 6.81}
{0 CHEMBL106381,12 1,13 3,14 26.532,16 18.291,17 1,18 10.705,19 10.705,20 10.705,21 7,22 13.256,24 1.643,25 11.009,26 16.476,28 2.604,29 14.675,33 12.894,34 7.899,35 10.366,36 69.678,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.353,43 4.521,44 4.409,45 9.093,46 3.391,47 1,48 23.588,49 6.518,50 1.787,52 17.416,53 0.18,54 10.227,55 10.227,56 1.012,57 4.159,58 4.159,59 17.772,60 238,61 1,62 4.528,63 50.972,64 2,65 3.955,66 6.677,67 6.677,68 5.308,69 34.796,70 7.35}
{0 CHEMBL106406,13 1,14 13.178,16 18.636,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.079,24 1,25 11.138,26 16.714,28 2,29 14.813,33 12.94,34 8.093,35 10.517,36 52.573,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.127,43 4.211,44 3.958,45 9.243,46 3.101,48 20.171,49 6.784,50 1,51 4,52 17.496,53 0.211,54 10.975,55 10.975,56 1.186,57 4.408,58 4.408,59 20.542,60 160,62 4.33,63 45.069,64 1,65 3.763,66 7.472,67 7.472,68 4.996,70 7.481}
{0 CHEMBL106569,12 1,13 2,14 27.136,16 18.695,17 1,18 13.461,19 13.461,20 13.461,21 5,22 13.434,24 1.5,25 11.146,26 16.764,28 2.5,29 14.861,33 12.993,34 8.084,35 10.568,36 66.953,37 6.196,38 245,39 61,40 4.127,41 4.812,42 7.31,43 4.714,44 4.535,45 9.267,46 3.481,48 30.108,49 6.179,50 1.5,52 23.743,53 0.181,54 9.171,55 9.171,56 1.344,57 4.415,58 4.415,59 21.408,60 287,62 4.702,63 55.688,64 3,65 4.012,66 7.645,67 7.645,68 5.463,70 8.699}
{0 CHEMBL106767,9 1,13 1,14 13.088,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.551,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.218,44 4.058,45 9.353,46 3.082,48 19.778,49 6.784,50 1.258,51 4,52 14.61,53 0.203,54 10.975,55 10.975,56 0.957,57 4.409,58 4.409,59 20.555,60 160,62 4.391,63 44.915,64 1,65 3.788,66 7.472,67 7.472,68 5.091,69 42.683,70 7.745}
{0 CHEMBL106803,12 1,13 2,14 34.769,16 18.145,17 1,18 10.343,19 10.343,20 10.343,21 6,22 13.243,24 1.704,25 10.873,26 16.344,28 2.656,29 14.558,33 12.791,34 7.799,35 10.218,36 70.232,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.323,43 4.663,44 4.513,45 8.947,46 3.394,47 1,48 29.775,49 6.447,50 1.729,51 4,52 20.557,53 0.179,54 9.928,55 9.928,56 1.226,57 4.041,58 4.041,59 17.134,60 262,62 4.649,63 52.029,64 5,65 3.953,66 6.543,67 6.543,68 5.463,70 8.398}
{0 CHEMBL106907,12 1,13 2,14 39.883,16 18.891,17 1,18 13.309,19 13.309,20 13.309,21 7,22 13.475,24 1.834,25 11.444,26 16.989,28 2.791,29 15.108,33 13.254,34 8.364,35 10.82,36 80.642,37 6.385,38 296,39 73,40 4.304,41 4.99,42 7.507,43 4.802,44 4.666,45 9.539,46 3.467,47 1,48 34.192,49 6.65,50 2.036,51 4,52 23.864,53 0.169,54 10.589,55 10.589,56 1.298,57 4.459,58 4.459,59 20.808,60 336,61 1,62 4.803,63 60.074,64 5,65 4.097,66 7.489,67 7.489,68 5.653,69 34.796,70 8.398}
{0 CHEMBL106982,13 1,14 36.566,16 18.948,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.509,24 1,25 11.393,26 17.014,28 2,29 15.096,33 13.201,34 8.39,35 10.83,36 59.556,37 6.075,38 217,39 55,40 4.025,41 4.71,42 7.249,43 4.235,44 4.058,45 9.567,46 3.169,48 20.889,49 7.111,50 1.267,51 4,52 15.408,53 0.205,54 11.657,55 11.657,56 0.917,57 4.408,58 4.408,59 20.542,60 162,62 4.346,63 46.728,64 2,65 3.836,66 7.472,67 7.472,68 5.119,70 7.481}
{0 CHEMBL107092,13 1,14 13.171,16 18.948,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.296,24 1,25 11.393,26 17.014,28 2,29 15.096,33 13.201,34 8.39,35 10.83,36 57.109,37 6.075,38 217,39 55,40 4.025,41 4.71,42 7.249,43 4.135,44 4.007,45 9.567,46 3.107,48 18.942,49 7.111,50 1.266,51 4,52 13.473,53 0.205,54 11.657,55 11.657,56 0.778,57 4.408,58 4.408,59 20.542,60 162,62 4.288,63 43.984,64 1,65 3.794,66 7.472,67 7.472,68 5.079,70 7.602}
{0 CHEMBL107128,12 1,13 3,14 39.801,16 18.421,17 1,18 10.705,19 10.705,20 10.705,21 7,22 13.359,24 1.921,25 11.136,26 16.606,28 2.861,29 14.806,33 13.026,34 8.03,35 10.486,36 81.98,37 6.385,38 296,39 73,40 4.304,41 4.99,42 7.492,43 4.809,44 4.689,45 9.217,46 3.472,47 1,48 32.646,49 6.518,50 2.044,51 4,52 23.627,53 0.167,54 10.227,55 10.227,56 1.289,57 4.159,58 4.159,59 17.772,60 336,61 1,62 4.787,63 60.171,64 5,65 4.102,66 6.677,67 6.677,68 5.626,69 34.796,70 8.523}
{0 CHEMBL107154,13 1,14 13.202,16 18.74,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.185,24 1,25 11.234,26 16.82,28 2,29 14.919,33 13.042,34 8.181,35 10.604,36 54.374,37 6.019,38 205,39 51,40 3.951,41 4.635,42 7.175,43 4.193,44 4.005,45 9.337,46 3.101,48 19.434,49 6.784,50 1.065,51 4,52 14.582,53 0.21,54 10.975,55 10.975,56 1.127,57 4.409,58 4.409,59 20.554,60 160,62 4.326,63 44.762,64 1,65 3.779,66 7.472,67 7.472,68 4.989,70 8.097}
{0 CHEMBL107170,12 1,13 3,14 27.684,16 18.809,17 1,18 13.67,19 13.67,20 13.67,21 6,22 13.488,24 1.5,25 11.291,26 16.877,28 2.5,29 14.972,33 13.099,34 8.194,35 10.689,36 69.488,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.37,43 4.687,44 4.527,45 9.384,46 3.56,48 28.222,49 6.539,50 1.51,51 1,52 22.855,53 0.177,54 10.337,55 10.337,56 1.311,57 4.453,58 4.453,59 21.794,60 280,62 4.699,63 54.927,64 3,65 4.021,66 7.675,67 7.675,68 5.441,70 7.222}
{0 CHEMBL107380,13 2,14 48.391,16 19.166,17 1,18 15.059,19 15.059,20 15.059,21 6,22 13.496,24 1.713,25 11.633,26 17.204,28 2.773,29 15.268,33 13.362,34 8.489,35 10.952,36 76.603,37 6.337,38 282,39 69,40 4.248,41 4.934,42 7.467,43 4.806,44 4.632,45 9.645,46 3.419,48 37.38,49 6.833,50 1.917,51 4,52 25.606,53 0.176,54 11.088,55 11.088,56 1.18,57 4.661,58 4.661,59 23.719,60 301,62 4.891,63 56.762,64 5,65 4.036,66 7.945,67 7.945,68 5.68,70 7.745}
{0 CHEMBL107425,11 1,12 1,13 2,14 27.702,16 19.024,17 1,18 13.67,19 13.67,20 13.67,21 6,22 13.602,24 1.5,25 11.496,26 17.086,28 2.5,29 15.168,33 13.276,34 8.456,35 10.921,36 71.287,37 6.29,38 269,39 67,40 4.22,41 4.905,42 7.426,43 4.708,44 4.564,45 9.631,46 3.561,48 28.288,49 6.972,50 1.514,51 5,52 23.276,53 0.177,54 11.778,55 11.778,56 1.297,57 4.454,58 4.454,59 21.794,60 282,62 4.716,63 55.381,64 3,65 4.032,66 7.675,67 7.675,68 5.483,69 42.683,70 7.387}
{0 CHEMBL107439,12 1,13 2,14 40.128,16 18.907,17 1,18 13.323,19 13.323,20 13.323,21 7,22 13.519,24 2.027,25 11.47,26 17.008,28 2.904,29 15.131,33 13.281,34 8.389,35 10.845,36 84.196,37 6.422,38 307,39 76,40 4.344,41 5.03,42 7.545,43 4.862,44 4.734,45 9.567,46 3.49,47 1,48 35.887,49 6.65,50 2.089,51 4,52 25.646,53 0.166,54 10.59,55 10.59,56 1.243,57 4.463,58 4.463,59 20.871,60 350,61 1,62 4.861,63 61.932,64 5,65 4.127,66 7.492,67 7.492,68 5.702,69 34.796,70 7.495}
{0 CHEMBL1077350,13 5,14 13.248,16 18.816,17 2,18 11.66,19 11.66,20 11.66,21 6,22 13.311,24 1.414,25 11.386,26 16.939,28 2.414,29 15.076,33 13.23,34 8.324,35 10.781,36 66.917,37 6.244,38 257,39 64,40 4.174,41 4.86,42 7.392,43 4.376,44 4.238,45 9.534,46 3.185,48 24.909,49 6.799,50 1.5,52 16.821,53 0.189,54 11.056,55 11.056,56 0.76,57 4.195,58 4.195,59 18.935,60 184,62 4.574,63 48.455,64 2,65 3.891,66 7.111,67 7.111,68 5.421,70 6.301}
{0 CHEMBL1077351,13 5,14 13.288,16 18.816,17 2,18 11.66,19 11.66,20 11.66,21 6,22 13.311,24 1.414,25 11.386,26 16.939,28 2.414,29 15.076,33 13.23,34 8.324,35 10.781,36 66.917,37 6.244,38 257,39 64,40 4.174,41 4.86,42 7.392,43 4.4,44 4.255,45 9.534,46 3.199,48 25.794,49 6.799,50 1.5,52 17.7,53 0.189,54 11.056,55 11.056,56 0.781,57 4.197,58 4.197,59 18.935,60 184,62 4.598,63 49.211,64 1,65 3.906,66 7.111,67 7.111,68 5.433,70 6.301}
{0 CHEMBL1077352,13 5,14 13.405,16 18.842,17 2,18 11.66,19 11.66,20 11.66,21 6,22 13.408,24 1.419,25 11.424,26 16.969,28 2.5,29 15.11,33 13.268,34 8.363,35 10.816,36 72.552,37 6.29,38 269,39 67,40 4.22,41 4.905,42 7.438,43 4.442,44 4.307,45 9.571,46 3.245,48 26.313,49 6.809,50 1.5,52 18.236,53 0.186,54 11.104,55 11.104,56 0.78,57 4.208,58 4.208,59 18.949,60 240,62 4.617,63 50.455,64 1,65 3.936,66 7.111,67 7.111,68 5.445,70 6.301}
{0 CHEMBL1077353,13 6,14 13.3,16 18.971,17 2,18 12.026,19 12.026,20 12.026,21 8,22 13.44,24 1.45,25 11.553,26 17.087,28 2.454,29 15.217,33 13.365,34 8.46,35 10.932,36 72.571,37 6.34,38 283,39 70,40 4.263,41 4.949,42 7.491,43 4.505,44 4.349,45 9.676,46 3.221,48 28.528,49 6.985,50 1.877,52 19.156,53 0.182,54 11.622,55 11.622,56 0.768,57 4.308,58 4.308,59 19.468,60 204,62 4.662,63 51.217,64 2,65 3.96,66 7.128,67 7.128,68 5.488,70 7.036}
{0 CHEMBL1077354,13 6,14 13.34,16 18.971,17 2,18 12.026,19 12.026,20 12.026,21 8,22 13.44,24 1.45,25 11.553,26 17.087,28 2.454,29 15.217,33 13.365,34 8.46,35 10.932,36 72.571,37 6.34,38 283,39 70,40 4.263,41 4.949,42 7.491,43 4.527,44 4.364,45 9.676,46 3.228,48 29.415,49 6.985,50 1.877,52 20.027,53 0.182,54 11.622,55 11.622,56 0.789,57 4.308,58 4.308,59 19.468,60 204,62 4.684,63 51.972,64 1,65 3.974,66 7.128,67 7.128,68 5.5,70 7.009}
{0 CHEMBL1077355,13 6,14 13.457,16 18.993,17 2,18 12.026,19 12.026,20 12.026,21 8,22 13.526,24 1.455,25 11.585,26 17.113,28 2.862,29 15.247,33 13.399,34 8.494,35 10.961,36 78.275,37 6.382,38 295,39 73,40 4.304,41 4.99,42 7.532,43 4.563,44 4.411,45 9.708,46 3.267,48 29.938,49 6.985,50 1.953,52 20.522,53 0.179,54 11.622,55 11.622,56 0.788,57 4.308,58 4.308,59 19.468,60 264,62 4.702,63 53.217,64 1,65 4.002,66 7.128,67 7.128,68 5.511,70 7.347}
{0 CHEMBL1077358,13 5,14 26.607,16 18.985,17 1,18 14.094,19 14.094,20 14.094,21 7,22 13.266,24 1.414,25 11.532,26 17.062,28 2.414,29 15.16,33 13.285,34 8.425,35 10.868,36 72.018,37 6.304,38 273,39 67,40 4.22,41 4.905,42 7.442,43 4.692,44 4.507,45 9.582,46 3.343,48 33.525,49 6.799,50 1.415,51 5,52 21.963,53 0.18,54 11.055,55 11.055,56 1.074,57 4.49,58 4.49,59 21.759,60 215,62 4.744,63 55.597,64 5,65 4.008,66 7.66,67 7.66,68 5.631,70 7.854}
{0 CHEMBL1077359,13 5,14 26.785,16 19.007,17 1,18 14.094,19 14.094,20 14.094,21 7,22 13.367,24 1.414,25 11.565,26 17.088,28 2.467,29 15.191,33 13.321,34 8.46,35 10.9,36 77.904,37 6.347,38 285,39 70,40 4.263,41 4.949,42 7.486,43 4.74,44 4.56,45 9.617,46 3.349,48 35.023,49 6.809,50 1.467,51 5,52 23.28,53 0.177,54 11.103,55 11.103,56 1.105,57 4.49,58 4.49,59 21.759,60 264,62 4.781,63 57.597,64 4,65 4.048,66 7.66,67 7.66,68 5.651,70 7.824}
{0 CHEMBL1077360,13 4,14 26.75,16 19.293,17 1,18 14.103,19 14.103,20 14.103,21 7,22 13.437,24 1.414,25 11.774,26 17.338,28 2.414,29 15.401,33 13.489,34 8.681,35 11.137,36 74.154,37 6.344,38 284,39 70,40 4.263,41 4.949,42 7.498,43 4.771,44 4.592,45 9.844,46 3.362,48 35.813,49 7.509,50 1.544,51 5,52 23.632,53 0.179,54 13.441,55 13.441,56 1.034,57 4.53,58 4.53,59 21.821,60 226,62 4.793,63 57.359,64 5,65 4.036,66 7.664,67 7.664,68 5.695,70 7.602}
{0 CHEMBL1077361,13 4,14 26.928,16 19.31,17 1,18 14.103,19 14.103,20 14.103,21 7,22 13.523,24 1.414,25 11.8,26 17.358,28 2.564,29 15.425,33 13.518,34 8.708,35 11.161,36 80.112,37 6.385,38 296,39 73,40 4.304,41 4.99,42 7.54,43 4.816,44 4.641,45 9.871,46 3.371,48 37.283,49 7.509,50 1.546,51 5,52 24.928,53 0.176,54 13.441,55 13.441,56 1.064,57 4.53,58 4.53,59 21.821,60 274,62 4.828,63 59.359,64 4,65 4.074,66 7.664,67 7.664,68 5.713,70 7.215}
{0 CHEMBL1077362,13 6,14 26.818,16 19.005,17 1,18 14.094,19 14.094,20 14.094,21 7,22 13.298,24 1.414,25 11.56,26 17.086,28 2.443,29 15.19,33 13.321,34 8.46,35 10.897,36 76.197,37 6.361,38 289,39 71,40 4.277,41 4.963,42 7.497,43 4.776,44 4.597,45 9.615,46 3.38,48 36.173,49 6.799,50 1.475,51 5,52 23.702,53 0.175,54 11.055,55 11.055,56 1.161,57 4.49,58 4.49,59 21.759,60 308,62 4.826,63 60.881,64 5,65 4.088,66 7.66,67 7.66,68 5.727,70 7.357}
{0 CHEMBL1077363,13 6,14 26.862,16 19.005,17 1,18 14.094,19 14.094,20 14.094,21 7,22 13.298,24 1.414,25 11.56,26 17.086,28 2.443,29 15.19,33 13.321,34 8.46,35 10.897,36 76.197,37 6.361,38 289,39 71,40 4.277,41 4.963,42 7.497,43 4.792,44 4.609,45 9.615,46 3.381,48 36.999,49 6.799,50 1.475,51 5,52 24.541,53 0.175,54 11.055,55 11.055,56 1.219,57 4.49,58 4.49,59 21.759,60 308,62 4.845,63 61.637,64 4,65 4.101,66 7.66,67 7.66,68 5.736,70 7.469}
{0 CHEMBL1077364,13 7,14 26.871,16 19.012,17 1,18 14.094,19 14.094,20 14.094,21 7,22 13.315,24 1.464,25 11.572,26 17.095,28 2.489,29 15.202,33 13.336,34 8.475,35 10.909,36 78.099,37 6.382,38 295,39 73,40 4.304,41 4.99,42 7.521,43 4.796,44 4.616,45 9.631,46 3.433,48 36.894,49 6.799,50 1.832,51 5,52 24.18,53 0.174,54 11.055,55 11.055,56 1.151,57 4.49,58 4.49,59 21.759,60 299,62 4.856,63 62.643,64 5,65 4.113,66 7.66,67 7.66,68 5.745,70 7.638}
{0 CHEMBL1077365,13 7,14 26.882,16 19.031,17 1,18 14.094,19 14.094,20 14.094,21 8,22 13.349,24 1.468,25 11.597,26 17.118,28 2.494,29 15.228,33 13.365,34 8.516,35 10.946,36 79.843,37 6.415,38 305,39 75,40 4.331,41 5.017,42 7.554,43 4.787,44 4.61,45 9.672,46 3.496,48 36.626,49 6.799,50 1.884,51 5,52 24.055,53 0.17,54 11.055,55 11.055,56 1.17,57 4.49,58 4.49,59 21.759,60 298,62 4.841,63 61.881,64 5,65 4.121,66 7.66,67 7.66,68 5.733,70 7.569}
{0 CHEMBL107749,12 1,13 2,14 26.816,16 18.829,17 1,18 13.323,19 13.323,20 13.323,21 7,22 13.432,24 1.659,25 11.38,26 16.923,28 2.611,29 15.039,33 13.181,34 8.299,35 10.762,36 71.822,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.414,43 4.594,44 4.471,45 9.481,46 3.44,47 1,48 26.9,49 6.65,50 1.805,52 19.546,53 0.179,54 10.59,55 10.59,56 0.988,57 4.463,58 4.463,59 20.871,60 248,61 1,62 4.622,63 52.733,64 2,65 3.984,66 7.492,67 7.492,68 5.411,69 34.796,70 7}
{0 CHEMBL107750,13 2,14 34.681,16 17.892,17 1,18 9.928,19 9.928,20 9.928,21 4,22 13.074,24 1.5,25 10.668,26 16.12,28 2.5,29 14.362,33 12.622,34 7.621,35 10.023,36 68.814,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.238,43 4.59,44 4.442,45 8.764,46 3.368,47 1,48 27.774,49 6.169,50 1.704,51 4,52 18.969,53 0.184,54 9.187,55 9.187,56 1.166,57 3.929,58 3.929,59 16.57,60 249,62 4.576,63 50.273,64 5,65 3.903,66 6.447,67 6.447,68 5.406,70 7.824}
{0 CHEMBL1077779,13 2,14 26.643,16 19.273,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.375,24 1.275,25 11.723,26 17.303,28 2.349,29 15.352,33 13.425,34 8.634,35 11.081,36 67.113,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.396,43 4.732,44 4.535,45 9.781,46 3.301,48 35.523,49 7.469,50 1.345,51 8,52 23.622,53 0.188,54 13.181,55 13.181,56 1.259,57 4.561,58 4.561,59 22.471,60 183,62 4.79,63 55.654,64 4,65 3.991,66 7.75,67 7.75,68 5.706,70 8}
{0 CHEMBL1077912,13 2,14 26.554,16 19.273,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.375,24 1.275,25 11.723,26 17.303,28 2.349,29 15.352,33 13.425,34 8.634,35 11.081,36 67.113,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.396,43 4.704,44 4.515,45 9.781,46 3.296,48 34.277,49 7.469,50 1.345,51 8,52 22.569,53 0.188,54 13.181,55 13.181,56 1.115,57 4.561,58 4.561,59 22.471,60 183,62 4.751,63 54.143,64 5,65 3.963,66 7.75,67 7.75,68 5.679,70 8.155}
{0 CHEMBL1077988,13 3,14 26.231,16 18.908,17 1,18 14.486,19 14.486,20 14.486,21 5,22 13.118,24 1.043,25 11.422,26 16.963,28 2.215,29 15.041,33 13.149,34 8.307,35 10.759,36 63.352,37 6.163,38 237,39 58,40 4.078,41 4.762,42 7.296,43 4.604,44 4.402,45 9.453,46 3.298,48 31.649,49 6.577,50 1.343,51 8,52 21.047,53 0.19,54 10.268,55 10.268,56 1.34,57 4.55,58 4.55,59 22.453,60 182,62 4.685,63 52.131,64 4,65 3.933,66 7.748,67 7.748,68 5.596,70 7}
{0 CHEMBL1077989,13 3,14 26.371,16 18.968,17 1,18 14.486,19 14.486,20 14.486,21 5,22 13.198,24 1.132,25 11.482,26 17.024,28 2.172,29 15.101,33 13.207,34 8.364,35 10.812,36 63.605,37 6.18,38 241,39 59,40 4.094,41 4.779,42 7.313,43 4.576,44 4.363,45 9.517,46 3.28,48 31.515,49 6.786,50 1.196,51 8,52 20.793,53 0.191,54 10.981,55 10.981,56 1.339,57 4.55,58 4.55,59 22.453,60 165,62 4.692,63 52.131,64 4,65 3.933,66 7.748,67 7.748,68 5.589,70 7.745}
{0 CHEMBL1078013,13 3,14 26.464,16 18.896,17 1,18 14.094,19 14.094,20 14.094,21 5,22 13.17,24 1.162,25 11.421,26 16.964,28 2.269,29 15.055,33 13.173,34 8.326,35 10.744,36 66.24,37 6.209,38 248,39 61,40 4.127,41 4.812,42 7.351,43 4.64,44 4.453,45 9.453,46 3.342,48 31.924,49 6.786,50 1.391,51 9,52 21.314,53 0.187,54 10.981,55 10.981,56 1.207,57 4.489,58 4.489,59 21.758,60 196,62 4.681,63 54.143,64 5,65 3.963,66 7.66,67 7.66,68 5.596,70 7.167}
{0 CHEMBL1078014,13 3,14 26.516,16 18.896,17 1,18 14.094,19 14.094,20 14.094,21 5,22 13.17,24 1.162,25 11.421,26 16.964,28 2.269,29 15.055,33 13.173,34 8.326,35 10.744,36 66.51,37 6.209,38 248,39 61,40 4.127,41 4.812,42 7.351,43 4.634,44 4.445,45 9.453,46 3.317,48 32.092,49 6.786,50 1.391,51 9,52 21.433,53 0.187,54 10.981,55 10.981,56 1.191,57 4.489,58 4.489,59 21.758,60 196,62 4.696,63 54.347,64 4,65 3.971,66 7.66,67 7.66,68 5.592,70 7.051}
{0 CHEMBL1078015,13 3,14 26.427,16 18.896,17 1,18 14.094,19 14.094,20 14.094,21 5,22 13.17,24 1.162,25 11.421,26 16.964,28 2.269,29 15.055,33 13.173,34 8.326,35 10.744,36 66.51,37 6.209,38 248,39 61,40 4.127,41 4.812,42 7.351,43 4.607,44 4.427,45 9.453,46 3.314,48 30.885,49 6.786,50 1.391,51 9,52 20.506,53 0.187,54 10.981,55 10.981,56 1.083,57 4.489,58 4.489,59 21.758,60 196,62 4.653,63 52.836,64 5,65 3.942,66 7.66,67 7.66,68 5.56,70 7.119}
{0 CHEMBL1078072,13 3,14 26.437,16 18.968,17 1,18 14.486,19 14.486,20 14.486,21 5,22 13.198,24 1.146,25 11.483,26 17.024,28 2.255,29 15.102,33 13.209,34 8.364,35 10.813,36 65.38,37 6.196,38 245,39 60,40 4.111,41 4.796,42 7.334,43 4.593,44 4.395,45 9.511,46 3.271,48 31.866,49 6.786,50 1.345,51 8,52 20.967,53 0.189,54 10.981,55 10.981,56 1.155,57 4.55,58 4.55,59 22.453,60 174,62 4.706,63 52.586,64 4,65 3.941,66 7.748,67 7.748,68 5.613,70 7.62}
{0 CHEMBL1078141,13 2,14 26.594,16 19.22,17 1,18 14.101,19 14.101,20 14.101,21 5,22 13.351,24 1.279,25 11.674,26 17.259,28 2.388,29 15.315,33 13.396,34 8.604,35 11.029,36 68.519,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.412,43 4.706,44 4.533,45 9.737,46 3.315,48 33.491,49 7.467,50 1.391,51 9,52 22.337,53 0.186,54 13.176,55 13.176,56 1.036,57 4.51,58 4.51,59 21.781,60 204,62 4.715,63 54.597,64 5,65 3.971,66 7.663,67 7.663,68 5.625,70 7}
{0 CHEMBL1078231,13 2,14 26.594,16 19.22,17 1,18 14.101,19 14.101,20 14.101,21 5,22 13.351,24 1.279,25 11.674,26 17.259,28 2.388,29 15.315,33 13.396,34 8.604,35 11.029,36 68.519,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.412,43 4.706,44 4.533,45 9.737,46 3.315,48 33.491,49 7.467,50 1.391,51 9,52 22.337,53 0.186,54 13.176,55 13.176,56 1.036,57 4.51,58 4.51,59 21.781,60 204,62 4.715,63 54.597,64 5,65 3.971,66 7.663,67 7.663,68 5.625,70 7.602}
{0 CHEMBL1078335,13 2,14 26.613,16 19.22,17 1,18 14.101,19 14.101,20 14.101,21 5,22 13.351,24 1.279,25 11.674,26 17.259,28 2.388,29 15.315,33 13.396,34 8.604,35 11.029,36 68.46,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.412,43 4.698,44 4.533,45 9.737,46 3.342,48 33.222,49 7.467,50 1.391,51 9,52 22.29,53 0.186,54 13.176,55 13.176,56 1.141,57 4.51,58 4.51,59 21.781,60 204,62 4.727,63 55.353,64 4,65 3.985,66 7.663,67 7.663,68 5.651,70 8}
{0 CHEMBL1078647,13 2,14 26.394,16 18.968,17 1,18 14.486,19 14.486,20 14.486,21 5,22 13.261,24 1.409,25 11.483,26 17.024,28 2.431,29 15.102,33 13.209,34 8.364,35 10.813,36 65.045,37 6.196,38 245,39 60,40 4.111,41 4.796,42 7.334,43 4.54,44 4.355,45 9.511,46 3.288,48 29.532,49 6.786,50 1.5,51 8,52 19.978,53 0.189,54 10.981,55 10.981,56 1.361,57 4.55,58 4.55,59 22.453,60 174,62 4.661,63 51.609,64 4,65 3.932,66 7.748,67 7.748,68 5.501,70 6.842}
{0 CHEMBL1078648,13 3,14 26.363,16 18.967,17 1,18 14.486,19 14.486,20 14.486,21 5,22 13.196,24 1.131,25 11.482,26 17.023,28 2.162,29 15.101,33 13.207,34 8.364,35 10.811,36 63.955,37 6.18,38 241,39 59,40 4.094,41 4.779,42 7.321,43 4.543,44 4.341,45 9.511,46 3.254,48 29.904,49 6.786,50 1.148,51 8,52 19.797,53 0.191,54 10.981,55 10.981,56 1.313,57 4.55,58 4.55,59 22.453,60 171,62 4.656,63 52.131,64 4,65 3.933,66 7.748,67 7.748,68 5.539,70 6.523}
{0 CHEMBL1078659,13 2,14 26.516,16 19.273,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.375,24 1.275,25 11.723,26 17.303,28 2.349,29 15.352,33 13.425,34 8.634,35 11.081,36 67.401,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.396,43 4.662,44 4.482,45 9.781,46 3.269,48 32.972,49 7.469,50 1.345,51 8,52 21.547,53 0.188,54 13.181,55 13.181,56 1.002,57 4.561,58 4.561,59 22.471,60 183,62 4.722,63 52.836,64 5,65 3.942,66 7.75,67 7.75,68 5.647,70 7.237}
{0 CHEMBL1078710,13 2,14 38.81,16 19.255,17 1,18 14.101,19 14.101,20 14.101,21 5,22 13.453,24 1.318,25 11.711,26 17.297,28 2.392,29 15.356,33 13.44,34 8.639,35 11.065,36 71.164,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.445,43 4.73,44 4.558,45 9.777,46 3.32,48 34.41,49 7.467,50 1.391,51 9,52 22.996,53 0.184,54 13.176,55 13.176,56 1.067,57 4.51,58 4.51,59 21.781,60 215,62 4.749,63 55.807,64 4,65 3.995,66 7.663,67 7.663,68 5.663,70 7.097}
{0 CHEMBL1078711,13 2,14 26.776,16 19.238,17 1,18 14.101,19 14.101,20 14.101,21 5,22 13.444,24 1.389,25 11.703,26 17.28,28 2.452,29 15.342,33 13.429,34 8.634,35 11.056,36 74.412,37 6.297,38 271,39 67,40 4.22,41 4.905,42 7.456,43 4.75,44 4.582,45 9.767,46 3.323,48 34.779,49 7.467,50 1.451,51 9,52 23.334,53 0.182,54 13.176,55 13.176,56 1.067,57 4.51,58 4.51,59 21.781,60 250,62 4.752,63 56.597,64 4,65 4.013,66 7.663,67 7.663,68 5.65,70 7.62}
{0 CHEMBL1078712,13 2,14 38.318,16 19.232,17 1,18 14.101,19 14.101,20 14.101,21 5,22 13.406,24 1.381,25 11.694,26 17.273,28 2.393,29 15.334,33 13.419,34 8.624,35 11.049,36 71.202,37 6.279,38 266,39 66,40 4.205,41 4.89,42 7.441,43 4.72,44 4.557,45 9.76,46 3.318,48 33.875,49 7.467,50 1.402,51 9,52 22.744,53 0.184,54 13.176,55 13.176,56 0.911,57 4.51,58 4.51,59 21.781,60 220,62 4.733,63 55.256,64 5,65 3.992,66 7.663,67 7.663,68 5.649,70 7.921}
{0 CHEMBL1078713,13 2,14 26.686,16 19.417,17 1,18 14.101,19 14.101,20 14.101,21 5,22 13.559,24 1.392,25 11.85,26 17.456,28 2.435,29 15.511,33 13.588,34 8.809,35 11.245,36 75.169,37 6.354,38 287,39 72,40 4.29,41 4.977,42 7.532,43 4.742,44 4.596,45 9.966,46 3.32,48 34.148,49 7.467,50 1.551,51 9,52 23.192,53 0.18,54 13.176,55 13.176,56 0.695,57 4.51,58 4.51,59 21.781,60 248,62 4.735,63 56.171,64 5,65 4.02,66 7.663,67 7.663,68 5.658,70 7.013}
{0 CHEMBL1078714,13 2,14 26.606,16 19.337,17 1,18 14.101,19 14.101,20 14.101,21 5,22 13.486,24 1.281,25 11.796,26 17.381,28 2.402,29 15.442,33 13.525,34 8.774,35 11.188,36 71.95,37 6.312,38 275,39 69,40 4.248,41 4.934,42 7.491,43 4.733,44 4.58,45 9.912,46 3.347,48 34.139,49 7.467,50 1.471,51 13,52 23.239,53 0.183,54 13.176,55 13.176,56 1.019,57 4.51,58 4.51,59 21.781,60 228,62 4.739,63 55.779,64 5,65 4.006,66 7.663,67 7.663,68 5.679,70 7.569}
{0 CHEMBL1078723,13 2,14 26.594,16 19.22,17 1,18 14.101,19 14.101,20 14.101,21 5,22 13.351,24 1.279,25 11.674,26 17.259,28 2.388,29 15.315,33 13.396,34 8.604,35 11.029,36 68.519,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.412,43 4.706,44 4.533,45 9.737,46 3.315,48 33.491,49 7.467,50 1.391,51 9,52 22.337,53 0.186,54 13.176,55 13.176,56 1.036,57 4.51,58 4.51,59 21.781,60 204,62 4.715,63 54.597,64 5,65 3.971,66 7.663,67 7.663,68 5.625,70 7.602}
{0 CHEMBL1078753,13 3,14 26.553,16 18.896,17 1,18 14.094,19 14.094,20 14.094,21 5,22 13.17,24 1.162,25 11.421,26 16.964,28 2.269,29 15.055,33 13.173,34 8.326,35 10.744,36 66.24,37 6.209,38 248,39 61,40 4.127,41 4.812,42 7.351,43 4.666,44 4.471,45 9.453,46 3.344,48 33.113,49 6.786,50 1.391,51 9,52 22.246,53 0.187,54 10.981,55 10.981,56 1.36,57 4.489,58 4.489,59 21.758,60 196,62 4.723,63 55.654,64 4,65 3.991,66 7.66,67 7.66,68 5.627,70 7.523}
{0 CHEMBL1078936,13 2,14 26.639,16 19.22,17 1,18 14.101,19 14.101,20 14.101,21 5,22 13.351,24 1.279,25 11.674,26 17.259,28 2.388,29 15.315,33 13.396,34 8.604,35 11.029,36 68.519,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.412,43 4.72,44 4.543,45 9.737,46 3.317,48 34.125,49 7.467,50 1.391,51 9,52 22.849,53 0.186,54 13.176,55 13.176,56 1.088,57 4.51,58 4.51,59 21.781,60 204,62 4.735,63 55.353,64 4,65 3.985,66 7.663,67 7.663,68 5.64,70 7.215}
{0 CHEMBL1078937,13 1,14 25.813,16 19.21,17 1,18 14.096,19 14.096,20 14.096,21 4,22 13.399,24 1,25 11.654,26 17.246,28 2.025,29 15.299,33 13.375,34 8.591,35 11.011,36 64.081,37 6.151,38 234,39 58,40 4.078,41 4.762,42 7.322,43 4.415,44 4.25,45 9.728,46 3.223,48 25.333,49 7.467,50 1,51 9,52 16.675,53 0.201,54 13.176,55 13.176,56 1.195,57 4.508,58 4.508,59 21.777,60 186,62 4.499,63 48.097,64 4,65 3.845,66 7.663,67 7.663,68 5.371,70 7.658}
{0 CHEMBL1080794,13 3,14 26.476,16 18.968,17 1,18 14.486,19 14.486,20 14.486,21 5,22 13.198,24 1.146,25 11.483,26 17.024,28 2.255,29 15.102,33 13.209,34 8.364,35 10.813,36 65.128,37 6.196,38 245,39 60,40 4.111,41 4.796,42 7.334,43 4.638,44 4.43,45 9.511,46 3.298,48 33.137,49 6.786,50 1.345,51 8,52 21.99,53 0.189,54 10.981,55 10.981,56 1.313,57 4.55,58 4.55,59 22.453,60 174,62 4.735,63 53.893,64 4,65 3.962,66 7.748,67 7.748,68 5.646,70 7.292}
{0 CHEMBL1081476,13 5,14 12.577,15 1,16 18.507,17 1,18 11.59,19 11.59,20 11.59,21 6,22 13.192,24 1.147,25 11.183,26 16.657,28 2.242,29 14.821,33 13.003,34 8.129,35 10.646,36 59.132,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.309,43 4.246,44 4.146,45 9.397,46 3.109,47 1,48 20.078,49 6.756,50 1.414,51 6,52 14.324,53 0.2,54 10.993,55 10.993,56 0.735,57 4.274,58 4.274,59 18.594,60 140,62 4.321,63 41.716,64 2,65 3.765,66 6.887,67 6.887,68 5.225,69 18.011,70 8.222}
{0 CHEMBL1081477,13 5,14 12.939,15 1,16 18.166,17 1,18 10.993,19 10.993,20 10.993,21 6,22 12.975,24 1.114,25 10.887,26 16.349,28 2.182,29 14.547,33 12.765,34 7.776,35 10.251,36 58.475,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.189,43 4.37,44 4.229,45 8.995,46 3.117,47 1,48 23.403,49 6.259,50 1.414,51 2,52 15.774,53 0.197,54 9.492,55 9.492,56 0.892,57 4.16,58 4.16,59 17.997,60 140,62 4.41,63 44.057,64 2,65 3.792,66 6.756,67 6.756,68 5.315,69 18.011,70 7.367}
{0 CHEMBL1081486,13 5,14 12.762,15 1,16 18.166,17 1,18 10.993,19 10.993,20 10.993,21 6,22 12.976,24 1.067,25 10.885,26 16.348,28 2.158,29 14.546,33 12.763,34 7.776,35 10.25,36 57.27,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.165,43 4.279,44 4.146,45 9.006,46 3.104,47 1,48 21.327,49 6.259,50 1.414,51 2,52 14.409,53 0.2,54 9.492,55 9.492,56 0.825,57 4.16,58 4.16,59 17.997,60 124,62 4.348,63 42.296,64 2,65 3.757,66 6.756,67 6.756,68 5.247,69 18.011,70 7.745}
{0 CHEMBL1081625,13 5,14 12.762,15 1,16 18.166,17 1,18 10.993,19 10.993,20 10.993,21 6,22 12.976,24 1.067,25 10.885,26 16.348,28 2.158,29 14.546,33 12.763,34 7.776,35 10.25,36 57.27,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.165,43 4.279,44 4.146,45 9.006,46 3.104,47 1,48 21.327,49 6.259,50 1.414,51 2,52 14.409,53 0.2,54 9.492,55 9.492,56 0.825,57 4.16,58 4.16,59 17.997,60 124,62 4.348,63 42.296,64 2,65 3.757,66 6.756,67 6.756,68 5.247,69 18.011,70 7.456}
{0 CHEMBL1082191,13 5,14 12.577,15 1,16 18.507,17 1,18 11.59,19 11.59,20 11.59,21 6,22 13.192,24 1.147,25 11.183,26 16.657,28 2.242,29 14.821,33 13.003,34 8.129,35 10.646,36 59.132,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.309,43 4.246,44 4.146,45 9.397,46 3.109,47 1,48 20.078,49 6.756,50 1.414,51 6,52 14.324,53 0.2,54 10.993,55 10.993,56 0.735,57 4.274,58 4.274,59 18.594,60 140,62 4.321,63 41.716,64 2,65 3.765,66 6.887,67 6.887,68 5.225,69 18.011,70 8.222}
{0 CHEMBL1082201,13 5,14 12.939,15 1,16 18.166,17 1,18 10.993,19 10.993,20 10.993,21 6,22 12.975,24 1.114,25 10.887,26 16.349,28 2.182,29 14.547,33 12.765,34 7.776,35 10.251,36 58.475,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.189,43 4.37,44 4.229,45 8.995,46 3.117,47 1,48 23.403,49 6.259,50 1.414,51 2,52 15.774,53 0.197,54 9.492,55 9.492,56 0.892,57 4.16,58 4.16,59 17.997,60 140,62 4.41,63 44.057,64 2,65 3.792,66 6.756,67 6.756,68 5.315,69 18.011,70 7.523}
{0 CHEMBL1082202,13 5,14 12.961,15 1,16 18.468,17 1,18 10.993,19 10.993,20 10.993,21 6,22 13.165,24 1.351,25 11.137,26 16.629,28 2.411,29 14.804,33 12.996,34 8.129,35 10.57,36 61.901,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.287,43 4.414,44 4.285,45 9.334,46 3.193,47 1,48 24.128,49 6.715,50 1.414,51 6,52 16.674,53 0.195,54 10.9,55 10.9,56 0.964,57 4.16,58 4.16,59 17.997,60 162,62 4.436,63 45.239,64 2,65 3.834,66 6.756,67 6.756,68 5.349,69 18.011,70 8.097}
{0 CHEMBL1082487,13 3,14 27.02,16 18.957,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.233,24 1.264,25 11.477,26 17.037,28 2.355,29 15.133,33 13.252,34 8.378,35 10.823,36 67.257,37 6.229,38 253,39 62,40 4.143,41 4.828,42 7.37,43 4.661,44 4.486,45 9.543,46 3.333,48 32.316,49 6.946,50 1.381,51 12,52 21.281,53 0.188,54 11.697,55 11.697,56 0.966,57 4.41,58 4.41,59 20.639,60 181,62 4.689,63 53.387,64 5,65 3.944,66 7.472,67 7.472,68 5.61,70 7.076}
{0 CHEMBL1083126,13 2,14 26.487,16 18.967,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.385,24 1.407,25 11.492,26 17.05,28 2.5,29 15.15,33 13.273,34 8.399,35 10.841,36 69.114,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.376,43 4.364,44 4.221,45 9.569,46 3.23,48 23.272,49 6.964,50 1.486,51 8,52 15.542,53 0.191,54 11.767,55 11.767,56 1.185,57 4.411,58 4.411,59 20.572,60 206,62 4.496,63 49.126,64 4,65 3.888,66 7.472,67 7.472,68 5.266,70 7.62}
{0 CHEMBL1083437,13 3,14 27.016,16 18.914,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.219,24 1.306,25 11.441,26 16.997,28 2.387,29 15.099,33 13.224,34 8.349,35 10.795,36 68.349,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.378,43 4.686,44 4.517,45 9.515,46 3.371,48 32.295,49 6.888,50 1.387,51 8,52 21.431,53 0.185,54 11.487,55 11.487,56 0.999,57 4.41,58 4.41,59 20.572,60 198,62 4.701,63 55.148,64 5,65 3.973,66 7.472,67 7.472,68 5.588,70 7.367}
{0 CHEMBL1085217,13 3,14 39.748,16 19.059,17 1,18 13.19,19 13.19,20 13.19,21 6,22 13.511,24 1.598,25 11.612,26 17.156,28 2.799,29 15.271,33 13.411,34 8.524,35 10.958,36 86.194,37 6.441,38 313,39 77,40 4.357,41 5.043,42 7.584,43 4.828,44 4.69,45 9.687,46 3.436,48 35.422,49 6.979,50 1.828,51 8,52 23.72,53 0.169,54 11.843,55 11.843,56 1.254,57 4.411,58 4.411,59 20.574,60 328,62 4.842,63 62.398,64 5,65 4.118,66 7.472,67 7.472,68 5.66,69 18.011,70 7.585}
{0 CHEMBL1085218,13 3,14 27.272,16 19.021,17 1,18 13.19,19 13.19,20 13.19,21 6,22 13.348,24 1.5,25 11.551,26 17.102,28 2.5,29 15.201,33 13.322,34 8.442,35 10.889,36 72.542,37 6.308,38 274,39 67,40 4.22,41 4.905,42 7.453,43 4.693,44 4.531,45 9.604,46 3.359,48 32.958,49 7.022,50 1.506,51 12,52 22.138,53 0.18,54 11.999,55 11.999,56 0.974,57 4.411,58 4.411,59 20.716,60 202,62 4.731,63 53.864,64 5,65 3.981,66 7.472,67 7.472,68 5.593,70 7.046}
{0 CHEMBL1085219,13 3,14 39.432,16 19.039,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.424,24 1.583,25 11.581,26 17.132,28 2.623,29 15.243,33 13.377,34 8.491,35 10.928,36 80.584,37 6.402,38 301,39 74,40 4.317,41 5.004,42 7.545,43 4.78,44 4.642,45 9.654,46 3.429,48 34.066,49 6.979,50 1.784,51 8,52 22.801,53 0.172,54 11.843,55 11.843,56 1.194,57 4.411,58 4.411,59 20.572,60 300,62 4.802,63 59.847,64 8,65 4.076,66 7.472,67 7.472,68 5.627,70 7.585}
{0 CHEMBL1085220,13 3,14 51.451,16 19.22,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.685,24 1.693,25 11.711,26 17.297,28 2.698,29 15.39,33 13.505,34 8.658,35 11.108,36 81.504,37 6.415,38 305,39 76,40 4.344,41 5.03,42 7.576,43 4.8,44 4.654,45 9.839,46 3.559,48 34.419,49 7.111,50 1.828,51 8,52 23.722,53 0.173,54 11.843,55 11.843,56 1.08,57 4.411,58 4.411,59 20.572,60 262,62 4.802,63 60.495,64 8,65 4.09,66 7.472,67 7.472,68 5.636,70 7.469}
{0 CHEMBL1085221,13 3,14 39.555,16 19.039,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.424,24 1.583,25 11.581,26 17.132,28 2.623,29 15.243,33 13.377,34 8.491,35 10.928,36 80.453,37 6.402,38 301,39 74,40 4.317,41 5.004,42 7.545,43 4.787,44 4.646,45 9.654,46 3.433,48 34.341,49 6.979,50 1.784,51 8,52 22.772,53 0.172,54 11.843,55 11.843,56 1.221,57 4.411,58 4.411,59 20.572,60 300,62 4.809,63 60.398,64 6,65 4.08,66 7.472,67 7.472,68 5.636,69 18.011,70 7.495}
{0 CHEMBL1085222,13 4,14 27.424,16 18.999,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.363,24 1.5,25 11.542,26 17.088,28 2.5,29 15.197,33 13.33,34 8.45,35 10.889,36 76.58,37 6.361,38 289,39 71,40 4.277,41 4.963,42 7.504,43 4.773,44 4.626,45 9.61,46 3.434,48 34.2,49 6.979,50 1.759,51 8,52 22.937,53 0.175,54 11.843,55 11.843,56 1.087,57 4.411,58 4.411,59 20.572,60 274,62 4.787,63 59.148,64 5,65 4.063,66 7.472,67 7.472,68 5.638,70 7.208}
{0 CHEMBL1085223,13 4,14 27.483,16 19,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.366,24 1.5,25 11.545,26 17.09,28 2.5,29 15.199,33 13.332,34 8.45,35 10.891,36 77.771,37 6.375,38 293,39 72,40 4.29,41 4.977,42 7.515,43 4.794,44 4.644,45 9.611,46 3.438,48 34.957,49 6.979,50 1.761,51 8,52 23.415,53 0.173,54 11.843,55 11.843,56 1.106,57 4.411,58 4.411,59 20.572,60 307,62 4.818,63 60.91,64 5,65 4.089,66 7.472,67 7.472,68 5.658,70 8.222}
{0 CHEMBL1085224,11 1,13 4,14 27.324,16 18.992,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.357,24 1.5,25 11.532,26 17.08,28 2.5,29 15.187,33 13.319,34 8.438,35 10.881,36 75.122,37 6.344,38 284,39 70,40 4.263,41 4.949,42 7.489,43 4.749,44 4.601,45 9.602,46 3.432,48 33.362,49 6.979,50 1.754,51 8,52 22.516,53 0.177,54 11.843,55 11.843,56 1.084,57 4.411,58 4.411,59 20.572,60 241,62 4.767,63 57.387,64 5,65 4.04,66 7.472,67 7.472,68 5.607,69 42.683,70 7.699}
{0 CHEMBL1085225,13 3,14 27.449,16 19.002,17 1,18 13.19,19 13.19,20 13.19,21 6,22 13.43,24 1.5,25 11.549,26 17.092,28 2.586,29 15.2,33 13.332,34 8.45,35 10.894,36 79.48,37 6.361,38 289,39 71,40 4.277,41 4.963,42 7.504,43 4.754,44 4.607,45 9.614,46 3.414,48 33.274,49 6.979,50 1.564,51 8,52 22.661,53 0.175,54 11.843,55 11.843,56 1.043,57 4.411,58 4.411,59 20.574,60 272,62 4.771,63 57.626,64 4,65 4.049,66 7.472,67 7.472,68 5.583,70 7.921}
{0 CHEMBL1085226,13 3,14 27.285,16 18.979,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.337,24 1.5,25 11.513,26 17.064,28 2.5,29 15.168,33 13.297,34 8.415,35 10.861,36 75.017,37 6.333,38 281,39 69,40 4.248,41 4.934,42 7.473,43 4.714,44 4.566,45 9.576,46 3.442,48 32.645,49 6.978,50 1.572,51 8,52 21.833,53 0.176,54 11.836,55 11.836,56 0.977,57 4.41,58 4.41,59 20.571,60 237,62 4.76,63 57.387,64 5,65 4.037,66 7.472,67 7.472,68 5.613,70 8.097}
{0 CHEMBL1085228,13 3,14 27.268,16 18.98,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.336,24 1.5,25 11.516,26 17.065,28 2.5,29 15.169,33 13.296,34 8.415,35 10.863,36 73.701,37 6.319,38 277,39 68,40 4.234,41 4.92,42 7.461,43 4.71,44 4.559,45 9.578,46 3.41,48 32.182,49 6.979,50 1.538,51 8,52 21.737,53 0.178,54 11.843,55 11.843,56 1.006,57 4.411,58 4.411,59 20.572,60 214,62 4.734,63 55.626,64 5,65 4.009,66 7.472,67 7.472,68 5.557,70 7.569}
{0 CHEMBL1085229,13 3,14 27.268,16 18.98,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.336,24 1.5,25 11.516,26 17.065,28 2.5,29 15.169,33 13.296,34 8.415,35 10.863,36 73.701,37 6.319,38 277,39 68,40 4.234,41 4.92,42 7.461,43 4.71,44 4.559,45 9.578,46 3.41,48 32.182,49 6.979,50 1.538,51 8,52 21.737,53 0.178,54 11.843,55 11.843,56 1.006,57 4.411,58 4.411,59 20.572,60 214,62 4.734,63 55.626,64 5,65 4.009,66 7.472,67 7.472,68 5.557,70 7.699}
{0 CHEMBL1085230,13 3,14 27.268,16 18.98,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.336,24 1.5,25 11.516,26 17.065,28 2.5,29 15.169,33 13.296,34 8.415,35 10.863,36 73.701,37 6.319,38 277,39 68,40 4.234,41 4.92,42 7.461,43 4.71,44 4.559,45 9.578,46 3.41,48 32.182,49 6.979,50 1.538,51 8,52 21.737,53 0.178,54 11.843,55 11.843,56 1.006,57 4.411,58 4.411,59 20.572,60 214,62 4.734,63 55.626,64 5,65 4.009,66 7.472,67 7.472,68 5.557,70 6.301}
{0 CHEMBL1085231,13 3,14 27.453,16 19.042,17 1,18 13.19,19 13.19,20 13.19,21 6,22 13.441,24 1.5,25 11.583,26 17.128,28 2.553,29 15.231,33 13.357,34 8.477,35 10.92,36 78.242,37 6.351,38 286,39 70,40 4.263,41 4.949,42 7.496,43 4.738,44 4.581,45 9.639,46 3.363,48 34.138,49 7.022,50 1.533,51 12,52 23.155,53 0.177,54 11.999,55 11.999,56 1.011,57 4.411,58 4.411,59 20.716,60 261,62 4.767,63 55.864,64 4,65 4.022,66 7.472,67 7.472,68 5.618,70 7.678}
{0 CHEMBL1085232,11 1,13 4,14 27.505,16 19.013,17 1,18 13.19,19 13.19,20 13.19,21 6,22 13.449,24 1.5,25 11.565,26 17.106,28 2.771,29 15.218,33 13.354,34 8.473,35 10.912,36 80.813,37 6.385,38 296,39 73,40 4.304,41 4.99,42 7.531,43 4.792,44 4.647,45 9.637,46 3.435,48 34.455,49 6.979,50 1.801,51 8,52 23.447,53 0.174,54 11.843,55 11.843,56 1.12,57 4.411,58 4.411,59 20.574,60 286,62 4.802,63 59.387,64 4,65 4.079,66 7.472,67 7.472,68 5.631,69 42.683,70 7.481}
{0 CHEMBL108569,13 1,14 13.159,16 18.636,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.079,24 1,25 11.138,26 16.714,28 2,29 14.813,33 12.94,34 8.093,35 10.517,36 52.663,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.127,43 4.062,44 3.89,45 9.243,46 3.101,48 16.936,49 6.784,50 1,51 8,52 12.877,53 0.211,54 10.975,55 10.975,56 1.208,57 4.408,58 4.408,59 20.542,60 160,62 4.22,63 42.455,64 1,65 3.73,66 7.472,67 7.472,68 4.899,70 7.538}
{0 CHEMBL1085721,13 3,14 27.416,16 19.002,17 1,18 13.19,19 13.19,20 13.19,21 6,22 13.43,24 1.5,25 11.549,26 17.092,28 2.586,29 15.2,33 13.332,34 8.45,35 10.894,36 79.48,37 6.361,38 289,39 71,40 4.277,41 4.963,42 7.504,43 4.724,44 4.586,45 9.614,46 3.411,48 31.781,49 6.979,50 1.564,51 8,52 21.366,53 0.175,54 11.843,55 11.843,56 1.034,57 4.411,58 4.411,59 20.574,60 272,62 4.739,63 56.87,64 4,65 4.036,66 7.472,67 7.472,68 5.559,70 7.921}
{0 CHEMBL1085722,13 4,14 27.631,16 19.021,17 1,18 13.19,19 13.19,20 13.19,21 6,22 13.457,24 1.5,25 11.577,26 17.115,28 2.777,29 15.229,33 13.367,34 8.484,35 10.922,36 83.561,37 6.415,38 305,39 75,40 4.331,41 5.017,42 7.555,43 4.807,44 4.67,45 9.645,46 3.439,48 34.615,49 6.979,50 1.808,51 8,52 23.057,53 0.17,54 11.843,55 11.843,56 1.127,57 4.411,58 4.411,59 20.574,60 329,62 4.822,63 62.154,64 4,65 4.114,66 7.472,67 7.472,68 5.66,70 7.602}
{0 CHEMBL1085723,13 3,14 27.201,16 18.98,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.337,24 1.363,25 11.512,26 17.064,28 2.443,29 15.165,33 13.29,34 8.415,35 10.856,36 73.072,37 6.275,38 265,39 65,40 4.19,41 4.875,42 7.416,43 4.707,44 4.538,45 9.579,46 3.336,48 33.659,49 6.946,50 1.427,51 12,52 22.303,53 0.184,54 11.697,55 11.697,56 1.002,57 4.41,58 4.41,59 20.64,60 239,62 4.727,63 55.387,64 4,65 3.987,66 7.472,67 7.472,68 5.635,70 7.187}
{0 CHEMBL1087028,13 5,14 13.008,15 1,16 18.247,17 1,18 11.044,19 11.044,20 11.044,21 6,22 12.988,24 1.149,25 10.944,26 16.418,28 2.214,29 14.604,33 12.809,34 7.828,35 10.283,36 58.553,37 6.084,38 219,39 54,40 4.007,41 4.691,42 7.203,43 4.467,44 4.323,45 9.023,46 3.054,47 1,48 25.747,49 6.505,50 1.292,51 6,52 17.741,53 0.197,54 10.152,55 10.152,56 0.86,57 4.162,58 4.162,59 17.947,60 140,62 4.486,63 44.057,64 2,65 3.792,66 6.767,67 6.767,68 5.373,69 18.011,70 7.886}
{0 CHEMBL1087153,13 5,14 13.03,15 1,16 18.529,17 1,18 11.044,19 11.044,20 11.044,21 6,22 13.176,24 1.206,25 11.181,26 16.682,28 2.277,29 14.848,33 13.031,34 8.165,35 10.593,36 61.906,37 6.155,38 235,39 59,40 4.094,41 4.779,42 7.299,43 4.507,44 4.374,45 9.353,46 3.155,47 1,48 26.464,49 6.715,50 1.521,51 10,52 18.644,53 0.195,54 10.9,55 10.9,56 0.941,57 4.162,58 4.162,59 17.947,60 162,62 4.51,63 45.239,64 2,65 3.834,66 6.767,67 6.767,68 5.404,69 18.011,70 8.301}
{0 CHEMBL1087533,13 3,14 12.889,15 1,16 18.314,17 1,18 10.9,19 10.9,20 10.9,21 4,22 13.058,24 1,25 10.967,26 16.475,28 2,29 14.65,33 12.844,34 7.993,35 10.4,36 56.404,37 6.038,38 209,39 53,40 3.989,41 4.673,42 7.179,43 4.342,44 4.219,45 9.164,46 3.154,47 1,48 21.471,49 6.715,50 1.194,51 10,52 15.315,53 0.203,54 10.834,55 10.834,56 0.992,57 4.112,58 4.112,59 17.626,60 148,62 4.329,63 42.478,64 2,65 3.754,66 6.726,67 6.726,68 5.223,69 18.011,70 7.42}
{0 CHEMBL1087534,13 5,14 12.831,15 1,16 18.247,17 1,18 11.044,19 11.044,20 11.044,21 6,22 12.988,24 1.141,25 10.942,26 16.418,28 2.195,29 14.603,33 12.807,34 7.828,35 10.283,36 57.317,37 6.066,38 215,39 53,40 3.989,41 4.673,42 7.179,43 4.385,44 4.248,45 9.033,46 3.049,47 1,48 23.666,49 6.505,50 1.251,51 6,52 16.371,53 0.2,54 10.152,55 10.152,56 0.792,57 4.162,58 4.162,59 17.947,60 116,62 4.428,63 42.296,64 2,65 3.757,66 6.767,67 6.767,68 5.308,69 18.011,70 8.155}
{0 CHEMBL1087535,13 5,14 12.646,15 1,16 18.565,17 1,18 11.59,19 11.59,20 11.59,21 6,22 13.202,24 1.154,25 11.225,26 16.708,28 2.236,29 14.864,33 13.038,34 8.165,35 10.668,36 59.138,37 6.12,38 227,39 57,40 4.06,41 4.745,42 7.321,43 4.356,44 4.247,45 9.416,46 3.049,47 1,48 22.401,49 6.767,50 1.339,51 10,52 16.283,53 0.2,54 11.044,55 11.044,56 0.711,57 4.274,58 4.274,59 18.59,60 140,62 4.404,63 41.716,64 2,65 3.765,66 6.887,67 6.887,68 5.287,69 18.011,70 8.301}
{0 CHEMBL108845,13 1,14 24.693,16 18.69,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.166,24 1,25 11.193,26 16.774,28 2,29 14.879,33 13.009,34 8.153,35 10.572,36 56.135,37 6.033,38 208,39 52,40 3.97,41 4.654,42 7.186,43 4.185,44 4.02,45 9.305,46 3.156,48 20.262,49 6.784,50 1.266,51 4,52 13.888,53 0.206,54 10.975,55 10.975,56 1.012,57 4.408,58 4.408,59 20.542,60 171,62 4.315,63 45.626,64 1,65 3.806,66 7.472,67 7.472,68 5.092,70 6.225}
{0 CHEMBL1090041,13 4,14 13.384,15 1,16 18.409,17 1,18 11.657,19 11.657,20 11.657,21 8,22 13.268,24 1.5,25 11.104,26 16.567,28 2.502,29 14.743,33 12.94,34 7.968,35 10.432,36 66.372,37 6.213,38 249,39 61,40 4.127,41 4.812,42 7.331,43 4.55,44 4.4,45 9.151,46 3.327,47 1,48 25.596,49 6.546,50 1.879,51 4,52 18.059,53 0.184,54 10.349,55 10.349,56 0.941,57 4.227,58 4.227,59 18.871,60 210,62 4.565,63 47.841,64 2,65 3.899,66 6.923,67 6.923,68 5.348,69 18.011,70 7.842}
{0 CHEMBL109051,13 2,14 39.416,15 1,16 18.968,17 1,18 13.611,19 13.611,20 13.611,21 7,22 13.705,24 1.677,25 11.453,26 17.045,28 2.679,29 15.145,33 13.274,34 8.37,35 10.822,36 75.867,37 6.33,38 280,39 69,40 4.248,41 4.934,42 7.476,43 4.373,44 4.242,45 9.537,46 3.409,48 21.178,49 6.821,50 1.918,51 4,52 17.296,53 0.176,54 11.229,55 11.229,56 1.129,57 4.375,58 4.375,59 21.572,60 291,62 4.482,63 54.12,64 2,65 4.028,66 7.666,67 7.666,68 5.216,70 9}
{0 CHEMBL109158,13 1,14 13.168,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.473,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.236,44 4.068,45 9.353,46 3.082,48 20.356,49 6.784,50 1.258,51 4,52 14.906,53 0.203,54 10.975,55 10.975,56 1.036,57 4.409,58 4.409,59 20.555,60 160,62 4.413,63 45.466,64 1,65 3.794,66 7.472,67 7.472,68 5.116,69 32.897,70 8.347}
{0 CHEMBL1093137,12 1,13 1,16 17.979,17 1,18 10.873,19 10.873,20 10.873,21 8,22 13.148,24 1.5,25 10.767,26 16.181,28 2.5,29 14.4,33 12.642,34 7.644,35 10.104,36 62.132,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.248,43 4.528,44 4.401,45 8.796,46 3.31,47 1,48 22.338,49 6.246,50 1.808,52 15.539,53 0.183,54 9.487,55 9.487,56 1.228,57 4.104,58 4.104,59 18.083,60 232,61 2,62 4.527,63 46.932,65 3.874,66 6.697,67 6.697,68 5.195,69 34.796,70 5}
{0 CHEMBL1093331,13 4,14 12.475,16 18.348,17 1,18 11.657,19 11.657,20 11.657,21 7,22 13.103,24 1.039,25 11.019,26 16.493,28 2.08,29 14.653,33 12.833,34 7.87,35 10.336,36 54.263,37 6.023,38 206,39 50,40 3.932,41 4.615,42 7.143,43 4.194,44 4.032,45 9.058,46 3.065,47 1,48 18.84,49 6.546,50 1.495,51 4,52 13.346,53 0.205,54 10.348,55 10.348,56 1.072,57 4.227,58 4.227,59 18.871,60 115,62 4.305,63 39.83,64 3,65 3.704,66 6.923,67 6.923,68 5.077,70 6.951}
{0 CHEMBL1094518,13 4,14 25.889,16 18.531,17 1,18 11.456,19 11.456,20 11.456,21 6,22 13.254,24 1.432,25 11.219,26 16.685,28 2.462,29 14.854,33 13.043,34 8.159,35 10.668,36 65.924,37 6.196,38 245,39 62,40 4.143,41 4.828,42 7.387,43 4.481,44 4.334,45 9.417,46 3.219,48 24.753,49 6.807,50 1.5,51 8,52 17.868,53 0.191,54 11.091,55 11.091,56 0.737,57 4.236,58 4.236,59 18.74,60 190,62 4.506,63 46.853,64 2,65 3.867,66 6.845,67 6.845,68 5.35,69 18.011,70 7.602}
{0 CHEMBL1095191,13 4,14 25.798,15 1,16 18.529,17 1,18 11.456,19 11.456,20 11.456,21 6,22 13.253,24 1.43,25 11.214,26 16.683,28 2.459,29 14.852,33 13.042,34 8.159,35 10.664,36 65.762,37 6.196,38 245,39 62,40 4.143,41 4.828,42 7.387,43 4.444,44 4.319,45 9.415,46 3.217,48 23.902,49 6.798,50 1.769,51 8,52 17.102,53 0.191,54 11.05,55 11.05,56 0.719,57 4.236,58 4.236,59 18.73,60 186,62 4.485,63 45.932,64 2,65 3.858,66 6.845,67 6.845,68 5.353,69 18.011,70 8.046}
{0 CHEMBL1095517,13 4,14 26.055,16 18.232,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.009,24 1.414,25 10.93,26 16.408,28 2.414,29 14.599,33 12.809,34 7.811,35 10.277,36 60.309,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.209,43 4.467,44 4.289,45 9.024,46 3.151,48 26.017,49 6.323,50 1.431,51 4,52 17.4,53 0.195,54 9.724,55 9.724,56 1.275,57 4.181,58 4.181,59 18.324,60 145,62 4.526,63 46.12,64 2,65 3.833,66 6.798,67 6.798,68 5.371,69 18.011,70 7.854}
{0 CHEMBL1095518,13 4,14 37.852,16 18.263,17 1,18 11.091,19 11.091,20 11.091,21 6,22 13.086,24 1.414,25 10.971,26 16.442,28 2.414,29 14.636,33 12.849,34 7.854,35 10.32,36 62.688,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.245,43 4.503,44 4.331,45 9.072,46 3.201,48 26.904,49 6.326,50 1.44,51 4,52 18.247,53 0.193,54 9.741,55 9.741,56 1.168,57 4.198,58 4.198,59 18.376,60 170,62 4.567,63 47.33,64 1,65 3.863,66 6.807,67 6.807,68 5.411,69 36.022,70 7.523}
{0 CHEMBL1095815,13 4,14 25.81,16 18.508,17 1,18 11.456,19 11.456,20 11.456,21 6,22 13.202,24 1.424,25 11.186,26 16.659,28 2.454,29 14.824,33 13.009,34 8.127,35 10.638,36 63.865,37 6.168,38 238,39 60,40 4.111,41 4.796,42 7.356,43 4.446,44 4.3,45 9.383,46 3.217,48 24.479,49 6.798,50 1.5,51 8,52 17.022,53 0.192,54 11.05,55 11.05,56 0.751,57 4.236,58 4.236,59 18.73,60 181,62 4.487,63 45.995,64 2,65 3.85,66 6.845,67 6.845,68 5.341,69 18.011,70 7.699}
{0 CHEMBL1095816,13 4,14 26.012,15 1,16 18.199,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.051,24 1.414,25 10.929,26 16.386,28 2.414,29 14.588,33 12.812,34 7.818,35 10.281,36 63.301,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.255,43 4.51,44 4.357,45 9.033,46 3.24,48 26.09,49 6.322,50 1.452,51 4,52 18.055,53 0.191,54 9.724,55 9.724,56 0.883,57 4.181,58 4.181,59 18.324,60 164,62 4.525,63 47.819,64 2,65 3.874,66 6.798,67 6.798,68 5.387,69 18.011,70 7.886}
{0 CHEMBL1095827,13 4,14 26.236,16 18.278,17 1,18 11.1,19 11.1,20 11.1,21 6,22 13.138,24 1.414,25 10.988,26 16.458,28 2.463,29 14.653,33 12.866,34 7.874,35 10.334,36 65.981,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.263,43 4.526,44 4.353,45 9.085,46 3.235,48 27.235,49 6.327,50 1.446,51 4,52 18.53,53 0.191,54 9.746,55 9.746,56 1.325,57 4.199,58 4.199,59 18.388,60 195,62 4.572,63 48.12,64 1,65 3.881,66 6.808,67 6.808,68 5.396,69 18.011,70 7.921}
{0 CHEMBL1096101,13 4,14 24.337,16 17.768,17 1,18 9.915,19 9.915,20 9.915,21 5,22 12.558,24 0.618,25 10.52,26 15.981,28 1.618,29 14.205,33 12.446,34 7.438,35 9.913,36 47.422,37 5.849,38 173,39 43,40 3.784,41 4.466,42 6.942,43 4.232,44 4.06,45 8.668,46 3.063,48 20.059,49 6.208,50 0.828,51 4,52 13.583,53 0.218,54 9.272,55 9.272,56 1.301,57 4.063,58 4.063,59 16.347,60 116,62 4.238,63 38.347,64 1,65 3.641,66 6.375,67 6.375,68 5.096,69 18.011,70 6.333}
{0 CHEMBL1096102,13 4,14 26.05,16 18.232,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.009,24 1.414,25 10.93,26 16.408,28 2.414,29 14.599,33 12.809,34 7.811,35 10.277,36 60.733,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.209,43 4.479,44 4.294,45 9.024,46 3.176,48 26.528,49 6.323,50 1.431,51 4,52 18.54,53 0.195,54 9.724,55 9.724,56 1.312,57 4.176,58 4.176,59 18.324,60 145,62 4.541,63 46.728,64 1,65 3.85,66 6.798,67 6.798,68 5.353,69 18.011,70 8.046}
{0 CHEMBL1096445,13 4,14 26.144,16 18.232,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.009,24 1.414,25 10.93,26 16.408,28 2.414,29 14.599,33 12.809,34 7.811,35 10.277,36 60.309,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.209,43 4.509,44 4.319,45 9.024,46 3.176,48 27.684,49 6.323,50 1.431,51 4,52 18.863,53 0.195,54 9.724,55 9.724,56 1.485,57 4.188,58 4.188,59 18.324,60 145,62 4.577,63 47.631,64 1,65 3.865,66 6.798,67 6.798,68 5.397,69 18.011,70 8.222}
{0 CHEMBL1096446,13 3,14 24.834,16 18.103,17 1,18 11.05,19 11.05,20 11.05,21 5,22 12.914,24 1.064,25 10.803,26 16.276,28 2.212,29 14.465,33 12.673,34 7.687,35 10.149,36 52.627,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.072,43 4.187,44 3.999,45 8.895,46 3.114,48 20.067,49 6.322,50 1.414,51 4,52 13.795,53 0.211,54 9.724,55 9.724,56 1.101,57 4.188,58 4.188,59 18.324,60 115,62 4.32,63 41.347,64 1,65 3.717,66 6.798,67 6.798,68 5.087,69 18.011,70 7.824}
{0 CHEMBL1096447,13 4,14 25.588,16 18.181,17 1,18 11.05,19 11.05,20 11.05,21 5,22 12.974,24 1.166,25 10.865,26 16.357,28 2.281,29 14.548,33 12.757,34 7.761,35 10.22,36 56.253,37 6.019,38 205,39 51,40 3.951,41 4.635,42 7.135,43 4.381,44 4.186,45 8.976,46 3.147,48 24.813,49 6.322,50 1.414,51 4,52 16.769,53 0.206,54 9.724,55 9.724,56 1.536,57 4.188,58 4.188,59 18.324,60 127,62 4.488,63 44.87,64 1,65 3.788,66 6.798,67 6.798,68 5.306,69 18.011,70 7.959}
{0 CHEMBL1096486,12 1,13 4,14 25.875,16 18.235,17 1,18 11.077,19 11.077,20 11.077,21 6,22 13.012,24 1.397,25 10.928,26 16.41,28 2.414,29 14.599,33 12.807,34 7.811,35 10.29,36 58.991,37 6.084,38 219,39 54,40 4.007,41 4.691,42 7.185,43 4.414,44 4.241,45 9.043,46 3.14,48 24.629,49 6.325,50 1.414,51 4,52 16.568,53 0.197,54 9.733,55 9.733,56 1.237,57 4.197,58 4.197,59 18.382,60 127,62 4.474,63 44.569,64 1,65 3.805,66 6.806,67 6.806,68 5.331,69 18.011,70 7.721}
{0 CHEMBL1096764,13 4,14 26.319,16 18.232,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.009,24 1.414,25 10.931,26 16.409,28 2.414,29 14.6,33 12.811,34 7.811,35 10.278,36 61.808,37 6.12,38 227,39 56,40 4.043,41 4.727,42 7.232,43 4.568,44 4.38,45 9.014,46 3.203,48 29.152,49 6.323,50 1.458,51 4,52 19.879,53 0.192,54 9.724,55 9.724,56 1.444,57 4.188,58 4.188,59 18.324,60 158,62 4.611,63 49.393,64 1,65 3.896,66 6.798,67 6.798,68 5.444,69 18.011,70 8.523}
{0 CHEMBL1096765,13 4,14 26.279,16 18.518,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.193,24 1.414,25 11.171,26 16.675,28 2.416,29 14.845,33 13.032,34 8.153,35 10.59,36 65.383,37 6.188,38 243,39 61,40 4.127,41 4.812,42 7.326,43 4.565,44 4.401,45 9.347,46 3.213,48 28.638,49 6.715,50 1.5,51 8,52 19.953,53 0.19,54 10.9,55 10.9,56 1.179,57 4.188,58 4.188,59 18.324,60 178,62 4.61,63 49.268,64 1,65 3.912,66 6.798,67 6.798,68 5.456,69 18.011,70 8.398}
{0 CHEMBL1096766,13 3,14 26.152,16 18.232,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.091,24 1.5,25 10.931,26 16.409,28 2.5,29 14.6,33 12.811,34 7.811,35 10.278,36 61.945,37 6.12,38 227,39 56,40 4.043,41 4.727,42 7.232,43 4.478,44 4.31,45 9.014,46 3.183,48 25.531,49 6.323,50 1.5,51 4,52 17.881,53 0.192,54 9.724,55 9.724,56 1.387,57 4.188,58 4.188,59 18.324,60 158,62 4.542,63 47.108,64 1,65 3.864,66 6.798,67 6.798,68 5.306,69 18.011,70 8.097}
{0 CHEMBL1096768,13 4,14 25.9,16 18.235,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.014,24 1.413,25 10.933,26 16.411,28 2.414,29 14.6,33 12.808,34 7.811,35 10.29,36 58.654,37 6.084,38 219,39 54,40 4.007,41 4.691,42 7.238,43 4.429,44 4.24,45 9.029,46 3.164,48 25.56,49 6.323,50 1.414,51 4,52 17.456,53 0.197,54 9.724,55 9.724,56 1.475,57 4.188,58 4.188,59 18.324,60 140,62 4.518,63 45.87,64 1,65 3.832,66 6.798,67 6.798,68 5.322,69 18.011,70 8.155}
{0 CHEMBL1097169,13 4,14 26.1,16 18.232,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.009,24 1.414,25 10.93,26 16.408,28 2.414,29 14.599,33 12.809,34 7.811,35 10.277,36 60.309,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.209,43 4.488,44 4.304,45 9.024,46 3.167,48 26.853,49 6.323,50 1.431,51 4,52 18.131,53 0.195,54 9.724,55 9.724,56 1.374,57 4.185,58 4.185,59 18.324,60 145,62 4.552,63 46.876,64 1,65 3.849,66 6.798,67 6.798,68 5.384,69 18.011,70 8.155}
{0 CHEMBL1097170,13 4,14 38.179,16 18.324,17 1,18 11.275,19 11.275,20 11.275,21 6,22 13.15,24 1.414,25 11.006,26 16.495,28 2.414,29 14.681,33 12.886,34 7.886,35 10.353,36 62.877,37 6.138,38 231,39 57,40 4.06,41 4.745,42 7.249,43 4.502,44 4.328,45 9.105,46 3.187,48 27.048,49 6.342,50 1.434,51 4,52 18.285,53 0.193,54 9.788,55 9.788,56 1.313,57 4.216,58 4.216,59 18.666,60 144,62 4.569,63 47.33,64 1,65 3.861,66 6.867,67 6.867,68 5.408,69 18.011,70 7.357}
{0 CHEMBL1097515,13 4,14 25.957,16 18.232,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.009,24 1.414,25 10.93,26 16.408,28 2.414,29 14.599,33 12.809,34 7.811,35 10.277,36 61.031,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.209,43 4.449,44 4.269,45 9.024,46 3.176,48 25.244,49 6.323,50 1.431,51 4,52 18.172,53 0.195,54 9.724,55 9.724,56 1.154,57 4.164,58 4.164,59 18.324,60 145,62 4.505,63 45.824,64 1,65 3.835,66 6.798,67 6.798,68 5.306,69 18.011,70 7.854}
{0 CHEMBL1097815,13 4,14 26.131,15 1,16 18.263,17 1,18 11.091,19 11.091,20 11.091,21 6,22 13.072,24 1.414,25 10.971,26 16.442,28 2.414,29 14.636,33 12.849,34 7.854,35 10.32,36 62.299,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.245,43 4.506,44 4.334,45 9.072,46 3.179,48 27.145,49 6.326,50 1.439,51 4,52 18.948,53 0.193,54 9.741,55 9.741,56 1.128,57 4.2,58 4.2,59 18.376,60 170,62 4.575,63 47.569,64 1,65 3.873,66 6.807,67 6.807,68 5.411,69 18.011,70 8.222}
{0 CHEMBL1097816,13 4,14 26.332,16 18.278,17 1,18 11.1,19 11.1,20 11.1,21 6,22 13.085,24 1.414,25 10.988,26 16.458,28 2.414,29 14.653,33 12.866,34 7.874,35 10.334,36 63.546,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.263,43 4.547,44 4.377,45 9.085,46 3.195,48 27.832,49 6.327,50 1.441,51 4,52 19.009,53 0.191,54 9.746,55 9.746,56 1.261,57 4.203,58 4.203,59 18.388,60 195,62 4.627,63 49.847,64 1,65 3.905,66 6.808,67 6.808,68 5.447,69 18.011,70 7.585}
{0 CHEMBL1098014,13 4,14 26.124,16 18.472,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.176,24 1.435,25 11.143,26 16.633,28 2.46,29 14.808,33 13.002,34 8.127,35 10.565,36 66.562,37 6.201,38 246,39 62,40 4.143,41 4.828,42 7.335,43 4.548,44 4.39,45 9.32,46 3.285,48 27.159,49 6.711,50 1.5,51 8,52 18.643,53 0.188,54 10.891,55 10.891,56 0.99,57 4.181,58 4.181,59 18.324,60 201,62 4.549,63 49.518,64 2,65 3.913,66 6.798,67 6.798,68 5.415,69 18.011,70 7.569}
{0 CHEMBL1098150,13 3,14 25.927,16 18.232,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.089,24 1.414,25 10.93,26 16.408,28 2.414,29 14.599,33 12.809,34 7.811,35 10.277,36 60.403,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.209,43 4.378,44 4.224,45 9.024,46 3.163,48 23.108,49 6.323,50 1.483,51 4,52 16.294,53 0.195,54 9.724,55 9.724,56 1.048,57 4.188,58 4.188,59 18.324,60 145,62 4.477,63 44.802,64 1,65 3.819,66 6.798,67 6.798,68 5.256,69 18.011,70 7.745}
{0 CHEMBL1098151,13 4,14 26.055,16 18.232,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.009,24 1.414,25 10.93,26 16.408,28 2.414,29 14.599,33 12.809,34 7.811,35 10.277,36 60.81,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.209,43 4.451,44 4.279,45 9.024,46 3.163,48 25.849,49 6.323,50 1.431,51 4,52 17.718,53 0.195,54 9.724,55 9.724,56 1.14,57 4.188,58 4.188,59 18.324,60 145,62 4.536,63 46.324,64 1,65 3.842,66 6.798,67 6.798,68 5.366,69 18.011,70 7.824}
{0 CHEMBL1098357,13 4,14 26.112,15 1,16 18.493,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.228,24 1.441,25 11.171,26 16.658,28 2.465,29 14.836,33 13.035,34 8.159,35 10.592,36 68.438,37 6.229,38 253,39 64,40 4.174,41 4.86,42 7.367,43 4.546,44 4.406,45 9.353,46 3.285,48 26.612,49 6.711,50 1.792,51 8,52 18.725,53 0.186,54 10.891,55 10.891,56 0.906,57 4.181,58 4.181,59 18.324,60 208,62 4.547,63 49.455,64 2,65 3.92,66 6.798,67 6.798,68 5.426,69 18.011,70 7.921}
{0 CHEMBL1098664,13 4,14 25.786,15 2,16 18.551,17 1,18 11.456,19 11.456,20 11.456,21 6,22 13.302,24 1.48,25 11.245,26 16.709,28 2.504,29 14.882,33 13.074,34 8.189,35 10.693,36 67.652,37 6.225,38 252,39 64,40 4.174,41 4.86,42 7.418,43 4.441,44 4.336,45 9.447,46 3.217,48 23.288,49 6.798,50 1.82,51 8,52 17.182,53 0.189,54 11.05,55 11.05,56 0.631,57 4.236,58 4.236,59 18.73,60 192,62 4.483,63 45.87,64 2,65 3.866,66 6.845,67 6.845,68 5.365,69 18.011,70 7.523}
{0 CHEMBL1098665,13 4,14 25.929,16 18.54,17 1,18 11.456,19 11.456,20 11.456,21 6,22 13.308,24 1.431,25 11.227,26 16.695,28 2.638,29 14.866,33 13.056,34 8.174,35 10.674,36 69.435,37 6.217,38 250,39 63,40 4.159,41 4.844,42 7.403,43 4.493,44 4.364,45 9.424,46 3.218,48 24.728,49 6.798,50 1.796,51 8,52 17.379,53 0.188,54 11.05,55 11.05,56 0.758,57 4.236,58 4.236,59 18.73,60 192,62 4.528,63 47.239,64 2,65 3.881,66 6.845,67 6.845,68 5.372,69 18.011,70 7.469}
{0 CHEMBL110463,13 1,14 13.197,16 18.646,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.092,24 1,25 11.151,26 16.726,28 2,29 14.827,33 12.956,34 8.109,35 10.528,36 56.827,37 5.999,38 201,39 50,40 3.932,41 4.615,42 7.148,43 4.203,44 4.001,45 9.254,46 3.101,48 20.539,49 6.784,50 1,51 4,52 15.195,53 0.208,54 10.975,55 10.975,56 1.178,57 4.408,58 4.408,59 20.542,60 180,62 4.325,63 45.819,64 1,65 3.799,66 7.472,67 7.472,68 5.071,70 7.066}
{0 CHEMBL110786,13 1,14 13.179,16 18.636,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.079,24 1,25 11.138,26 16.714,28 2,29 14.813,33 12.94,34 8.093,35 10.517,36 52.363,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.127,43 4.142,44 3.959,45 9.243,46 3.101,48 19.564,49 6.784,50 1,51 4,52 13.363,53 0.211,54 10.975,55 10.975,56 1.171,57 4.408,58 4.408,59 20.542,60 160,62 4.292,63 44.171,64 1,65 3.768,66 7.472,67 7.472,68 5.051,70 6.959}
{0 CHEMBL110871,13 2,14 13.212,16 18.74,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.143,24 1,25 11.234,26 16.82,28 2,29 14.919,33 13.042,34 8.181,35 10.604,36 54.374,37 6.019,38 205,39 51,40 3.951,41 4.635,42 7.175,43 4.236,44 4.037,45 9.337,46 3.101,48 20.787,49 6.784,50 1,51 4,52 15.44,53 0.21,54 10.975,55 10.975,56 1.09,57 4.409,58 4.409,59 20.554,60 160,62 4.355,63 45.523,64 1,65 3.791,66 7.472,67 7.472,68 5.061,70 7.208}
{0 CHEMBL111982,13 1,14 13.067,16 17.949,17 2,18 10.981,19 10.981,20 10.981,21 4,22 12.833,24 1,25 10.655,26 16.135,28 2,29 14.337,33 12.562,34 7.573,35 9.984,36 50.49,37 5.916,38 185,39 46,40 3.85,41 4.533,42 7.045,43 4.064,44 3.794,45 8.724,46 3.101,48 17.639,49 6.152,50 1,51 4,52 15.697,53 0.213,54 9.084,55 9.084,56 1.207,57 4.149,58 4.149,59 18.127,60 150,62 4.206,63 42.552,64 1,65 3.702,66 6.786,67 6.786,68 4.862,70 6.357}
{0 CHEMBL111998,9 1,13 2,14 13.093,16 19.073,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.382,24 1.272,25 11.523,26 17.144,28 2.386,29 15.228,33 13.332,34 8.501,35 10.94,36 60.913,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.33,43 4.266,44 4.143,45 9.684,46 3.153,48 21.154,49 7.111,50 1.49,51 4,52 15.254,53 0.202,54 11.659,55 11.659,56 0.749,57 4.416,58 4.416,59 20.69,60 170,62 4.395,63 45.444,64 1,65 3.82,66 7.475,67 7.475,68 5.233,69 42.683,70 8.301}
{0 CHEMBL112299,9 1,13 2,14 36.712,16 19.073,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.579,24 1.273,25 11.523,26 17.144,28 2.386,29 15.228,33 13.332,34 8.501,35 10.94,36 63.318,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.33,43 4.372,44 4.2,45 9.684,46 3.178,48 23.292,49 7.111,50 1.497,51 4,52 16.948,53 0.202,54 11.659,55 11.659,56 0.832,57 4.416,58 4.416,59 20.69,60 170,62 4.456,63 48.188,64 2,65 3.861,66 7.475,67 7.475,68 5.263,69 42.683,70 7.824}
{0 CHEMBL112659,13 3,14 13.155,16 18.257,17 2,18 10.981,19 10.981,20 10.981,21 4,22 12.966,24 1,25 10.909,26 16.422,28 2,29 14.6,33 12.797,34 7.808,35 10.224,36 53.983,37 6.004,38 202,39 50,40 3.932,41 4.615,42 7.143,43 4.25,44 3.971,45 8.978,46 3.109,48 21.457,49 6.591,50 1.161,51 4,52 18.307,53 0.209,54 10.335,55 10.335,56 1.246,57 4.15,58 4.15,59 18.137,60 154,62 4.416,63 46.074,64 1,65 3.775,66 6.786,67 6.786,68 5.076,70 7.699}
{0 CHEMBL112686,13 2,14 13.144,16 18.185,17 1,18 10.981,19 10.981,20 10.981,21 4,22 13.003,24 1,25 10.858,26 16.353,28 2,29 14.535,33 12.737,34 7.758,35 10.162,36 56.419,37 6.009,38 203,39 50,40 3.932,41 4.615,42 7.135,43 4.137,44 3.942,45 8.903,46 3.101,48 19.679,49 6.503,50 1.118,51 4,52 14.568,53 0.205,54 10.19,55 10.19,56 1.179,57 4.15,58 4.15,59 18.127,60 151,62 4.373,63 44.461,64 1,65 3.773,66 6.786,67 6.786,68 5.066,70 8.699}
{0 CHEMBL112760,13 1,14 13.248,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.504,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.259,44 4.085,45 9.353,46 3.101,48 21.072,49 6.784,50 1.258,51 4,52 15.47,53 0.203,54 10.975,55 10.975,56 1.102,57 4.41,58 4.41,59 20.555,60 160,62 4.44,63 46.222,64 1,65 3.808,66 7.472,67 7.472,68 5.14,70 7.602}
{0 CHEMBL113042,13 2,14 36.707,16 19.073,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.579,24 1.273,25 11.523,26 17.144,28 2.386,29 15.228,33 13.332,34 8.501,35 10.94,36 63.689,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.33,43 4.356,44 4.187,45 9.684,46 3.178,48 22.316,49 7.111,50 1.497,51 4,52 16.575,53 0.202,54 11.659,55 11.659,56 0.8,57 4.416,58 4.416,59 20.69,60 170,62 4.437,63 47.836,64 2,65 3.852,66 7.475,67 7.475,68 5.216,69 32.897,70 8.301}
{0 CHEMBL113072,13 2,14 36.894,16 19.073,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.579,24 1.273,25 11.523,26 17.144,28 2.386,29 15.228,33 13.332,34 8.501,35 10.94,36 63.263,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.33,43 4.407,44 4.223,45 9.684,46 3.179,48 24.507,49 7.111,50 1.497,51 4,52 17.756,53 0.202,54 11.659,55 11.659,56 0.932,57 4.416,58 4.416,59 20.69,60 170,62 4.502,63 49.495,64 2,65 3.88,66 7.475,67 7.475,68 5.305,70 8.523}
{0 CHEMBL113154,13 2,14 13.095,16 18.803,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.185,24 1,25 11.302,26 16.885,28 2,29 14.985,33 13.107,34 8.239,35 10.665,36 56.389,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.217,43 4.323,44 4.077,45 9.402,46 3.144,48 21.305,49 6.784,50 1.274,51 4,52 18.25,53 0.208,54 10.975,55 10.975,56 0.873,57 4.416,58 4.416,59 20.688,60 164,62 4.43,63 46.177,64 1,65 3.779,66 7.475,67 7.475,68 5.059,69 32.897,70 7.921}
{0 CHEMBL113436,13 2,14 13.213,16 19.073,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.382,24 1.272,25 11.523,26 17.144,28 2.386,29 15.228,33 13.332,34 8.501,35 10.94,36 60.867,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.33,43 4.283,44 4.153,45 9.684,46 3.146,48 21.704,49 7.111,50 1.49,51 4,52 15.497,53 0.202,54 11.659,55 11.659,56 0.766,57 4.416,58 4.416,59 20.69,60 170,62 4.417,63 45.995,64 1,65 3.823,66 7.475,67 7.475,68 5.254,70 8.669}
{0 CHEMBL113648,14 13.171,16 18.636,17 2,18 13.189,19 13.189,20 13.189,21 4,22 13.079,24 1,25 11.138,26 16.714,28 2,29 14.813,33 12.94,34 8.093,35 10.517,36 52.485,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.127,43 4.193,44 3.944,45 9.243,46 3.101,48 19.583,49 6.784,50 1,51 4,52 16.997,53 0.211,54 10.975,55 10.975,56 1.133,57 4.408,58 4.408,59 20.542,60 160,62 4.28,63 44.313,64 1,65 3.739,66 7.472,67 7.472,68 4.966,70 7.208}
{0 CHEMBL115487,13 2,14 13.253,16 19.073,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.382,24 1.272,25 11.523,26 17.144,28 2.386,29 15.228,33 13.332,34 8.501,35 10.94,36 60.867,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.33,43 4.305,44 4.168,45 9.684,46 3.153,48 22.395,49 7.111,50 1.49,51 4,52 16.033,53 0.202,54 11.659,55 11.659,56 0.789,57 4.416,58 4.416,59 20.69,60 170,62 4.444,63 46.751,64 1,65 3.839,66 7.475,67 7.475,68 5.276,70 8.155}
{0 CHEMBL115716,13 2,14 13.26,16 18.803,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.185,24 1,25 11.302,26 16.885,28 2,29 14.985,33 13.107,34 8.239,35 10.665,36 55.969,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.217,43 4.376,44 4.117,45 9.402,46 3.144,48 23.523,49 6.784,50 1.274,51 4,52 19.673,53 0.208,54 10.975,55 10.975,56 1.179,57 4.416,58 4.416,59 20.688,60 164,62 4.495,63 47.836,64 1,65 3.809,66 7.475,67 7.475,68 5.162,70 8.301}
{0 CHEMBL116008,13 2,14 13.119,16 18.064,17 2,18 10.981,19 10.981,20 10.981,21 4,22 12.888,24 1,25 10.756,26 16.246,28 2,29 14.444,33 12.661,34 7.67,35 10.084,36 52.223,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.093,43 4.177,44 3.891,45 8.834,46 3.101,48 20.306,49 6.246,50 1.126,51 4,52 17.574,53 0.211,54 9.394,55 9.394,56 1.252,57 4.15,58 4.15,59 18.128,60 154,62 4.34,63 44.313,64 1,65 3.739,66 6.786,67 6.786,68 5.02,70 7.523}
{0 CHEMBL1169745,13 3,14 25.111,16 18.575,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.174,24 1.5,25 11.132,26 16.71,28 2.5,29 14.862,33 13.035,34 8.138,35 10.557,36 66.892,37 6.196,38 245,39 62,40 4.143,41 4.828,42 7.336,43 4.582,44 4.467,45 9.311,46 3.381,48 26.407,49 6.649,50 1.5,51 2,52 18.857,53 0.188,54 10.483,55 10.483,56 0.875,57 4.176,58 4.176,59 18.563,60 210,62 4.526,63 52.734,64 1,65 3.951,66 7.111,67 7.111,68 5.447,69 18.011,70 5}
{0 CHEMBL1169819,11 1,13 3,14 26.629,16 18.952,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.213,24 1.5,25 11.415,26 16.998,28 2.5,29 15.071,33 13.178,34 8.298,35 10.774,36 67.846,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.344,43 4.716,44 4.539,45 9.475,46 3.433,48 32.867,49 6.455,50 1.5,51 4,52 23.439,53 0.184,54 9.965,55 9.965,56 1.461,57 4.575,58 4.575,59 22.53,60 234,61 1,62 4.751,63 53.961,64 2,65 3.975,66 7.838,67 7.838,68 5.567,69 42.683,70 7.75}
{0 CHEMBL1170471,13 3,14 26.852,16 18.957,17 1,18 15.245,19 15.245,20 15.245,21 4,22 13.128,24 1.176,25 11.396,26 16.967,28 2.275,29 15.007,33 13.087,34 8.269,35 10.698,36 59.259,37 6.071,38 216,39 54,40 4.007,41 4.691,42 7.216,43 4.327,44 4.139,45 9.383,46 3.301,48 24.535,49 6.259,50 1.5,51 4,52 16.258,53 0.201,54 9.078,55 9.078,56 1.409,57 4.628,58 4.628,59 23.68,60 195,61 2,62 4.487,63 47.086,64 1,65 3.832,66 7.994,67 7.994,68 5.314,69 18.011,70 6.481}
{0 CHEMBL1170529,13 2,14 25.497,16 18.939,17 1,18 13.875,19 13.875,20 13.875,21 4,22 13.249,24 1.488,25 11.386,26 16.994,28 2.5,29 15.068,33 13.168,34 8.381,35 10.812,36 60.489,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.303,43 4.435,44 4.3,45 9.535,46 3.191,48 24.795,49 7.111,50 1.5,51 2,52 18.248,53 0.196,54 11.659,55 11.659,56 1.108,57 4.49,58 4.49,59 21.062,60 172,62 4.514,63 45.893,64 1,65 3.845,66 7.622,67 7.622,68 5.384,69 18.011,70 5}
{0 CHEMBL1170660,13 1,14 39.894,16 18.977,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.261,24 1.5,25 11.432,26 16.995,28 2.5,29 15.045,33 13.138,34 8.301,35 10.739,36 70.258,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.362,43 4.431,44 4.336,45 9.411,46 3.471,48 23.741,49 6.256,50 1.589,51 4,52 16.956,53 0.179,54 9.079,55 9.079,56 1.389,57 4.626,58 4.626,59 23.665,60 286,61 2,62 4.56,63 52.995,64 2,65 3.975,66 7.993,67 7.993,68 5.409,69 18.011,70 6.229}
{0 CHEMBL1170661,13 2,14 27.434,16 18.964,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.142,24 1.5,25 11.408,26 16.977,28 2.5,29 15.021,33 13.107,34 8.274,35 10.714,36 66.362,37 6.192,38 244,39 60,40 4.111,41 4.796,42 7.317,43 4.542,44 4.39,45 9.381,46 3.474,48 28.35,49 6.243,50 1.5,51 4,52 18.826,53 0.183,54 8.989,55 8.989,56 1.387,57 4.626,58 4.626,59 23.662,60 260,61 2,62 4.637,63 55.131,64 1,65 3.993,66 7.993,67 7.993,68 5.518,69 18.011,70 5.523}
{0 CHEMBL1170694,13 2,14 27.249,16 18.965,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.139,24 1.357,25 11.41,26 16.977,28 2.421,29 15.02,33 13.102,34 8.274,35 10.713,36 62.26,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.268,43 4.461,44 4.287,45 9.39,46 3.398,48 26.512,49 6.26,50 1.5,51 4,52 18.03,53 0.189,54 9.112,55 9.112,56 1.424,57 4.626,58 4.626,59 23.665,60 221,61 2,62 4.553,63 49.847,64 1,65 3.905,66 7.993,67 7.993,68 5.397,69 18.011,70 7.284}
{0 CHEMBL1170738,11 1,13 2,14 12.651,16 18.701,17 1,18 12.697,19 12.697,20 12.697,21 4,22 13.132,24 1,25 11.219,26 16.792,28 2,29 14.9,33 13.03,34 8.267,35 10.679,36 56.749,37 6.057,38 213,39 54,40 4.007,41 4.691,42 7.246,43 4.363,44 4.224,45 9.416,46 3.166,48 23.518,49 7.111,50 1.498,51 2,52 17.12,53 0.2,54 11.659,55 11.659,56 0.919,57 4.355,58 4.355,59 19.601,60 173,62 4.446,63 44.438,65 3.812,66 7.214,67 7.214,68 5.327,69 60.694,70 5}
{0 CHEMBL1170873,13 2,14 40.035,16 19.007,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.221,24 1.5,25 11.456,26 17.026,28 2.5,29 15.075,33 13.163,34 8.323,35 10.761,36 67.783,37 6.209,38 248,39 61,40 4.127,41 4.812,42 7.34,43 4.582,44 4.413,45 9.438,46 3.417,48 29.532,49 6.259,50 1.5,51 4,52 19.971,53 0.183,54 9.111,55 9.111,56 1.351,57 4.626,58 4.626,59 23.665,60 250,61 2,62 4.647,63 53.614,64 1,65 3.974,66 7.993,67 7.993,68 5.496,69 36.022,70 7.244}
{0 CHEMBL1170874,13 2,14 27.457,16 18.984,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.202,24 1.499,25 11.439,26 17.003,28 2.5,29 15.053,33 13.145,34 8.314,35 10.744,36 66.96,37 6.209,38 248,39 61,40 4.127,41 4.812,42 7.34,43 4.546,44 4.393,45 9.421,46 3.414,48 27.94,49 6.259,50 1.5,51 4,52 19.012,53 0.183,54 9.111,55 9.111,56 1.248,57 4.626,58 4.626,59 23.665,60 282,61 2,62 4.611,63 53.824,64 1,65 3.973,66 7.993,67 7.993,68 5.475,69 18.011,70 6.886}
{0 CHEMBL1170875,13 2,14 39.241,16 19.024,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.279,24 1.5,25 11.483,26 17.05,28 2.5,29 15.106,33 13.202,34 8.361,35 10.79,36 70.943,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.388,43 4.572,44 4.426,45 9.474,46 3.414,48 28.322,49 6.259,50 1.5,51 4,52 19.243,53 0.18,54 9.111,55 9.111,56 1.359,57 4.626,58 4.626,59 23.665,60 294,61 2,62 4.643,63 55.83,64 1,65 4.01,66 7.993,67 7.993,68 5.494,69 36.022,70 7.481}
{0 CHEMBL1170876,13 2,14 50.305,16 19.087,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.529,24 1.5,25 11.56,26 17.117,28 2.5,29 15.178,33 13.275,34 8.495,35 10.921,36 73.136,37 6.279,38 266,39 67,40 4.22,41 4.905,42 7.43,43 4.586,44 4.432,45 9.624,46 3.495,48 28.486,49 6.455,50 1.5,51 4,52 19.821,53 0.179,54 10.195,55 10.195,56 1.062,57 4.626,58 4.626,59 23.665,60 281,61 2,62 4.647,63 56.932,64 2,65 4.033,66 7.993,67 7.993,68 5.5,69 34.416,70 7.398}
{0 CHEMBL1170877,13 2,14 50.375,16 19.208,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.583,24 1.5,25 11.626,26 17.228,28 2.5,29 15.274,33 13.352,34 8.549,35 10.994,36 71.645,37 6.271,38 264,39 66,40 4.205,41 4.89,42 7.425,43 4.588,44 4.433,45 9.692,46 3.456,48 28.618,49 7.111,50 1.5,51 4,52 20.264,53 0.181,54 11.657,55 11.657,56 1.168,57 4.626,58 4.626,59 23.665,60 256,61 2,62 4.638,63 55.171,64 2,65 4.009,66 7.993,67 7.993,68 5.491,69 49.302,70 7.553}
{0 CHEMBL1170878,1 2,6 2,7 1,8 1,9 1,11 1,13 2,14 38.492,16 19.016,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.269,24 1.5,25 11.471,26 17.04,28 2.5,29 15.095,30 2,31 2,32 1,33 13.189,34 8.35,35 10.78,36 69.372,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.372,43 4.552,44 4.406,45 9.465,46 3.414,48 28.076,49 6.259,50 1.5,51 4,52 19.195,53 0.182,54 9.111,55 9.111,56 1.184,57 4.626,58 4.626,59 23.665,60 269,61 2,62 4.617,63 53.518,64 1,65 3.98,66 7.993,67 7.993,68 5.476,69 60.694,70 7.473}
{0 CHEMBL1170923,13 4,14 13.32,15 1,16 18.601,17 1,18 11.657,19 11.657,20 11.657,21 10,22 13.493,24 1.889,25 11.289,26 16.754,28 2.826,29 14.923,33 13.111,34 8.145,35 10.603,36 72.96,37 6.326,38 279,39 68,40 4.234,41 4.92,42 7.454,43 4.71,44 4.588,45 9.324,46 3.337,47 1,48 28.67,49 6.695,50 1.91,51 6,52 20.845,53 0.176,54 10.854,55 10.854,56 0.905,57 4.227,58 4.227,59 18.872,60 209,62 4.701,63 50.841,64 2,65 3.977,66 6.923,67 6.923,68 5.453,69 18.011,70 5}
{0 CHEMBL1170924,13 5,14 12.867,16 18.707,17 1,18 11.659,19 11.659,20 11.659,21 6,22 13.314,24 1.5,25 11.284,26 16.833,28 2.5,29 14.975,33 13.138,34 8.241,35 10.696,36 68.954,37 6.252,38 259,39 65,40 4.19,41 4.875,42 7.387,43 4.582,44 4.466,45 9.442,46 3.313,47 1,48 26.855,49 6.872,50 1.641,51 6,52 19.786,53 0.184,54 11.427,55 11.427,56 0.875,57 4.195,58 4.195,59 18.725,60 226,61 1,62 4.602,63 50.455,64 2,65 3.935,66 7.111,67 7.111,68 5.463,69 18.011,70 6.597}
{0 CHEMBL1170925,13 3,14 13.139,16 18.538,17 1,18 11.659,19 11.659,20 11.659,21 5,22 13.22,24 1.5,25 11.127,26 16.686,28 2.502,29 14.851,33 13.039,34 8.129,35 10.56,36 73.603,37 6.293,38 270,39 68,40 4.234,41 4.92,42 7.425,43 4.739,44 4.594,45 9.301,46 3.447,48 32.714,49 6.429,50 1.692,51 2,52 23.308,53 0.175,54 9.867,55 9.867,56 0.887,57 4.176,58 4.176,59 18.563,60 281,62 4.758,63 58.802,65 4.066,66 7.111,67 7.111,68 5.619,69 18.011,70 5}
{0 CHEMBL1171008,1 1,4 1,6 2,7 1,8 1,9 1,11 1,14 36.814,16 18.479,18 12.554,19 12.554,20 12.554,21 3,22 13.428,23 1,24 0.124,25 10.997,26 16.582,28 1.37,29 14.703,31 1,32 2,33 12.847,34 7.974,35 10.419,36 49.576,37 5.872,38 177,39 45,40 3.829,41 4.511,42 7.031,43 3.837,44 3.777,45 9.169,46 2.861,48 6.797,49 6.435,50 0.498,52 8.569,53 0.226,54 9.903,55 9.903,56 1.359,57 4.327,58 4.327,59 20.022,60 111,61 2,62 3.901,63 31.074,64 2,65 3.495,66 7.316,67 7.316,68 4.486,69 59.088,70 6.6}
{0 CHEMBL1171029,11 1,13 3,14 26.531,15 1,16 18.952,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.213,24 1.5,25 11.415,26 16.998,28 2.5,29 15.071,33 13.178,34 8.298,35 10.774,36 67.858,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.344,43 4.69,44 4.525,45 9.475,46 3.432,48 32.272,49 6.455,50 1.5,51 4,52 22.393,53 0.184,54 9.965,55 9.965,56 1.228,57 4.575,58 4.575,59 22.53,60 234,61 1,62 4.738,63 52.546,64 2,65 3.963,66 7.838,67 7.838,68 5.569,69 42.683,70 7.959}
{0 CHEMBL1171030,11 1,13 3,14 26.603,16 18.952,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.213,24 1.5,25 11.415,26 16.998,28 2.5,29 15.071,33 13.178,34 8.298,35 10.774,36 67.879,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.344,43 4.707,44 4.535,45 9.475,46 3.433,48 32.686,49 6.455,50 1.5,51 4,52 22.922,53 0.184,54 9.965,55 9.965,56 1.394,57 4.575,58 4.575,59 22.53,60 234,61 1,62 4.747,63 53.466,64 2,65 3.971,66 7.838,67 7.838,68 5.568,69 42.683,70 8.444}
{0 CHEMBL1171069,13 2,14 53.284,16 19.385,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.623,24 1.5,25 11.746,26 17.378,28 2.5,29 15.393,33 13.437,34 8.626,35 11.09,36 69.038,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.393,43 4.574,44 4.397,45 9.769,46 3.436,48 28.865,49 7.666,50 1.5,51 4,52 20.793,53 0.185,54 13.61,55 13.61,56 1.393,57 4.626,58 4.626,59 23.665,60 224,61 2,62 4.63,63 53.711,64 2,65 3.986,66 7.993,67 7.993,68 5.465,69 18.011,70 7.066}
{0 CHEMBL1171095,13 2,14 26.746,16 18.949,17 1,18 15.237,19 15.237,20 15.237,21 4,22 13.123,24 1.2,25 11.382,26 16.956,28 2.299,29 14.993,33 13.069,34 8.25,35 10.683,36 58.536,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.198,43 4.321,44 4.142,45 9.362,46 3.305,48 23.675,49 6.254,50 1.5,51 4,52 16.011,53 0.199,54 9.06,55 9.06,56 1.427,57 4.626,58 4.626,59 23.665,60 195,61 2,62 4.434,63 46.324,64 1,65 3.82,66 7.993,67 7.993,68 5.276,69 18.011,70 7.161}
{0 CHEMBL1171096,13 2,14 26.688,16 18.949,17 1,18 15.237,19 15.237,20 15.237,21 4,22 13.187,24 1.21,25 11.382,26 16.956,28 2.318,29 14.993,33 13.069,34 8.25,35 10.683,36 59.543,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.198,43 4.282,44 4.113,45 9.362,46 3.299,48 22.332,49 6.254,50 1.5,51 4,52 15.315,53 0.199,54 9.06,55 9.06,56 1.436,57 4.626,58 4.626,59 23.665,60 195,61 2,62 4.386,63 45.563,64 1,65 3.808,66 7.993,67 7.993,68 5.213,69 18.011,70 7.268}
{0 CHEMBL1171103,13 1,14 25.547,16 18.911,17 1,18 15.056,19 15.056,20 15.056,21 4,22 13.071,24 0.935,25 11.32,26 16.917,28 1.981,29 14.952,33 13.022,34 8.199,35 10.638,36 52.603,37 5.969,38 195,39 48,40 3.892,41 4.575,42 7.112,43 3.823,44 3.709,45 9.32,46 2.992,48 13.275,49 6.208,50 1,51 4,52 9.133,53 0.21,54 8.879,55 8.879,56 1.244,57 4.614,58 4.614,59 23.447,60 152,61 3,62 3.985,63 38.733,64 1,65 3.662,66 7.97,67 7.97,68 4.774,69 18.011,70 6.495}
{0 CHEMBL1171289,13 2,14 27.33,16 18.973,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.221,24 1.5,25 11.424,26 16.988,28 2.5,29 15.034,33 13.121,34 8.292,35 10.728,36 64.732,37 6.168,38 238,39 59,40 4.094,41 4.779,42 7.306,43 4.485,44 4.322,45 9.404,46 3.329,48 26.949,49 6.262,50 1.5,51 4,52 18.658,53 0.188,54 9.091,55 9.091,56 1.437,57 4.629,58 4.629,59 23.683,60 234,61 2,62 4.592,63 49.324,64 1,65 3.904,66 7.995,67 7.995,68 5.387,69 18.011,70 6.523}
{0 CHEMBL1171290,13 1,14 27.051,16 19.048,17 1,18 15.238,19 15.238,20 15.238,21 4,22 13.241,24 1.203,25 11.494,26 17.066,28 2.313,29 15.11,33 13.188,34 8.427,35 10.854,36 60.438,37 6.098,38 222,39 56,40 4.043,41 4.727,42 7.256,43 4.452,44 4.261,45 9.557,46 3.337,48 26.958,49 6.514,50 1.5,51 4,52 18.087,53 0.198,54 10.33,55 10.33,56 1.309,57 4.628,58 4.628,59 23.669,60 208,61 2,62 4.536,63 48.847,64 1,65 3.864,66 7.993,67 7.993,68 5.402,69 18.011,70 7.102}
{0 CHEMBL1171291,13 1,14 26.552,16 18.942,17 1,18 15.237,19 15.237,20 15.237,21 4,22 13.09,24 1,25 11.368,26 16.946,28 2,29 14.979,33 13.049,34 8.231,35 10.667,36 56.096,37 6.033,38 208,39 51,40 3.951,41 4.635,42 7.165,43 4.257,44 4.07,45 9.34,46 3.251,48 22.914,49 6.243,50 1.462,51 4,52 15.226,53 0.201,54 8.986,55 8.986,56 1.495,57 4.626,58 4.626,59 23.662,60 182,61 2,62 4.419,63 45.324,64 1,65 3.798,66 7.993,67 7.993,68 5.264,69 18.011,70 7.301}
{0 CHEMBL1171786,1 1,4 2,6 2,7 1,8 1,9 1,11 1,14 36.89,16 18.479,18 12.554,19 12.554,20 12.554,21 3,22 13.428,23 1,24 0.124,25 10.997,26 16.582,27 1,28 1.37,29 14.703,31 1,32 2,33 12.847,34 7.974,35 10.419,36 49.576,37 5.872,38 177,39 45,40 3.829,41 4.511,42 7.031,43 3.886,44 3.808,45 9.169,46 2.872,48 8.278,49 6.435,50 0.498,52 9.45,53 0.226,54 9.903,55 9.903,56 1.331,57 4.328,58 4.328,59 20.022,60 111,61 1,62 3.962,63 31.829,64 1,65 3.517,66 7.316,67 7.316,68 4.54,69 59.088,70 6.2}
{0 CHEMBL1171965,11 1,13 3,14 26.324,16 18.939,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.162,24 1.5,25 11.393,26 16.981,28 2.5,29 15.05,33 13.152,34 8.271,35 10.752,36 67.337,37 6.209,38 248,39 61,40 4.127,41 4.812,42 7.324,43 4.702,44 4.543,45 9.446,46 3.427,48 32.122,49 6.447,50 1.5,51 4,52 22.146,53 0.183,54 9.929,55 9.929,56 1.625,57 4.575,58 4.575,59 22.53,60 230,61 1,62 4.71,63 53.063,64 4,65 3.964,66 7.838,67 7.838,68 5.575,69 42.683,70 8.058}
{0 CHEMBL1171966,11 1,13 3,14 26.441,16 18.939,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.162,24 1.5,25 11.393,26 16.981,28 2.5,29 15.05,33 13.152,34 8.271,35 10.752,36 67.266,37 6.209,38 248,39 61,40 4.127,41 4.812,42 7.324,43 4.708,44 4.546,45 9.446,46 3.431,48 32.271,49 6.447,50 1.5,51 4,52 22.057,53 0.183,54 9.929,55 9.929,56 1.606,57 4.575,58 4.575,59 22.53,60 230,61 1,62 4.723,63 53.614,64 2,65 3.969,66 7.838,67 7.838,68 5.577,69 60.694,70 7.424}
{0 CHEMBL1172035,11 1,13 3,14 48.195,16 18.99,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.331,24 1.5,25 11.454,26 17.043,28 2.5,29 15.122,33 13.233,34 8.347,35 10.815,36 73.294,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.404,43 4.712,44 4.565,45 9.523,46 3.428,48 32.236,49 6.447,50 1.691,51 4,52 22.186,53 0.179,54 9.929,55 9.929,56 1.375,57 4.575,58 4.575,59 22.53,60 275,61 1,62 4.722,63 54.216,64 5,65 3.993,66 7.838,67 7.838,68 5.587,69 42.683,70 8.497}
{0 CHEMBL1172036,11 1,13 3,14 26.446,16 18.958,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.225,24 1.5,25 11.422,26 17.006,28 2.5,29 15.081,33 13.191,34 8.311,35 10.781,36 70.443,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.373,43 4.724,44 4.57,45 9.482,46 3.427,48 32.988,49 6.447,50 1.5,51 4,52 22.673,53 0.18,54 9.929,55 9.929,56 1.478,57 4.575,58 4.575,59 22.53,60 286,61 1,62 4.732,63 55.279,64 4,65 4,66 7.838,67 7.838,68 5.616,69 42.683,70 8.206}
{0 CHEMBL1172037,11 1,13 3,14 26.54,16 19.016,17 1,18 14.49,19 14.49,20 14.49,21 7,22 13.317,24 1.5,25 11.494,26 17.07,28 2.5,29 15.151,33 13.263,34 8.375,35 10.853,36 74.545,37 6.319,38 277,39 68,40 4.234,41 4.92,42 7.438,43 4.72,44 4.58,45 9.557,46 3.427,48 32.321,49 6.447,50 1.692,51 4,52 22.333,53 0.175,54 9.929,55 9.929,56 1.36,57 4.575,58 4.575,59 22.53,60 240,61 1,62 4.728,63 54.972,64 5,65 4.016,66 7.838,67 7.838,68 5.598,69 42.683,70 6.914}
{0 CHEMBL1172038,11 1,13 3,14 26.38,16 19.187,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.405,24 1.5,25 11.611,26 17.231,28 2.5,29 15.296,33 13.389,34 8.547,35 11.023,36 73.588,37 6.315,38 276,39 69,40 4.248,41 4.934,42 7.455,43 4.717,44 4.574,45 9.738,46 3.428,48 32.275,49 7.111,50 1.691,51 4,52 22.392,53 0.178,54 11.657,55 11.657,56 1.172,57 4.575,58 4.575,59 22.53,60 264,61 1,62 4.726,63 54.637,64 4,65 4.013,66 7.838,67 7.838,68 5.592,69 42.683,70 7.523}
{0 CHEMBL1172039,11 1,13 3,14 26.424,16 19.063,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.36,24 1.5,25 11.544,26 17.12,28 2.5,29 15.203,33 13.315,34 8.493,35 10.952,36 74.727,37 6.323,38 278,39 70,40 4.263,41 4.949,42 7.46,43 4.722,44 4.585,45 9.674,46 3.427,48 32.411,49 6.455,50 1.692,51 4,52 22.729,53 0.176,54 10.195,55 10.195,56 0.969,57 4.575,58 4.575,59 22.53,60 290,61 1,62 4.73,63 55.091,64 4,65 4.021,66 7.838,67 7.838,68 5.634,69 42.683,70 8.211}
{0 CHEMBL1172040,11 1,13 3,14 49.926,16 19.187,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.598,24 1.5,25 11.611,26 17.231,28 2.5,29 15.296,33 13.389,34 8.547,35 11.023,36 76.194,37 6.315,38 276,39 69,40 4.248,41 4.934,42 7.455,43 4.743,44 4.592,45 9.738,46 3.56,48 33.296,49 7.111,50 1.691,51 4,52 23.297,53 0.178,54 11.657,55 11.657,56 1.394,57 4.575,58 4.575,59 22.53,60 264,61 1,62 4.752,63 57.381,64 5,65 4.047,66 7.838,67 7.838,68 5.624,69 42.683,70 7.428}
{0 CHEMBL1172041,11 1,13 3,14 26.527,16 19.016,17 1,18 14.49,19 14.49,20 14.49,21 7,22 13.382,24 1.643,25 11.494,26 17.07,28 2.6,29 15.151,33 13.263,34 8.375,35 10.853,36 74.016,37 6.319,38 277,39 68,40 4.234,41 4.92,42 7.438,43 4.713,44 4.572,45 9.557,46 3.428,48 32.062,49 6.447,50 1.694,51 4,52 22.07,53 0.175,54 9.929,55 9.929,56 1.443,57 4.575,58 4.575,59 22.53,60 240,61 1,62 4.719,63 54.006,64 5,65 4.002,66 7.838,67 7.838,68 5.591,69 42.683,70 6.945}
{0 CHEMBL1172042,11 1,13 3,14 26.315,15 1,16 18.95,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.214,24 1.5,25 11.411,26 16.997,28 2.5,29 15.071,33 13.179,34 8.298,35 10.772,36 69.357,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.357,43 4.701,44 4.549,45 9.473,46 3.427,48 32.084,49 6.447,50 1.5,51 4,52 22.135,53 0.182,54 9.929,55 9.929,56 1.362,57 4.575,58 4.575,59 22.53,60 258,61 1,62 4.709,63 53.001,64 4,65 3.971,66 7.838,67 7.838,68 5.58,69 42.683,70 6.656}
{0 CHEMBL1172043,11 1,13 3,14 26.374,16 18.95,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.214,24 1.5,25 11.411,26 16.997,28 2.5,29 15.071,33 13.179,34 8.298,35 10.772,36 69.389,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.357,43 4.71,44 4.555,45 9.473,46 3.427,48 32.247,49 6.447,50 1.5,51 4,52 22.534,53 0.182,54 9.929,55 9.929,56 1.523,57 4.575,58 4.575,59 22.53,60 258,61 1,62 4.718,63 53.921,64 4,65 3.979,66 7.838,67 7.838,68 5.578,69 42.683,70 8.963}
{0 CHEMBL1172044,11 1,13 3,14 26.395,16 18.95,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.214,24 1.5,25 11.411,26 16.997,28 2.5,29 15.071,33 13.179,34 8.298,35 10.772,36 69.338,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.357,43 4.715,44 4.559,45 9.473,46 3.427,48 32.317,49 6.447,50 1.5,51 4,52 22.835,53 0.182,54 9.929,55 9.929,56 1.585,57 4.575,58 4.575,59 22.53,60 258,61 1,62 4.722,63 54.415,64 4,65 3.983,66 7.838,67 7.838,68 5.577,69 42.683,70 7.695}
{0 CHEMBL1172045,11 1,13 3,14 26.432,15 1,16 18.95,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.214,24 1.5,25 11.411,26 16.997,28 2.5,29 15.071,33 13.179,34 8.298,35 10.772,36 69.245,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.357,43 4.707,44 4.552,45 9.473,46 3.431,48 32.233,49 6.447,50 1.5,51 4,52 22.047,53 0.182,54 9.929,55 9.929,56 1.315,57 4.575,58 4.575,59 22.53,60 258,61 1,62 4.722,63 53.552,64 2,65 3.976,66 7.838,67 7.838,68 5.582,69 60.694,70 8.767}
{0 CHEMBL1172046,11 1,13 3,14 26.491,16 18.95,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.214,24 1.5,25 11.411,26 16.997,28 2.5,29 15.071,33 13.179,34 8.298,35 10.772,36 69.279,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.357,43 4.716,44 4.559,45 9.473,46 3.431,48 32.4,49 6.447,50 1.5,51 4,52 22.44,53 0.182,54 9.929,55 9.929,56 1.489,57 4.575,58 4.575,59 22.53,60 258,61 1,62 4.733,63 54.472,64 2,65 3.985,66 7.838,67 7.838,68 5.58,69 60.694,70 8.575}
{0 CHEMBL1172047,11 1,13 3,14 48.343,16 18.99,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.331,24 1.5,25 11.454,26 17.043,28 2.5,29 15.122,33 13.233,34 8.347,35 10.815,36 73.273,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.404,43 4.722,44 4.573,45 9.523,46 3.433,48 32.467,49 6.447,50 1.691,51 4,52 22.192,53 0.179,54 9.929,55 9.929,56 1.329,57 4.575,58 4.575,59 22.53,60 275,61 1,62 4.737,63 54.768,64 3,65 3.998,66 7.838,67 7.838,68 5.598,69 60.694,70 8.495}
{0 CHEMBL1172048,11 1,13 3,14 26.497,16 19.187,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.405,24 1.5,25 11.611,26 17.231,28 2.5,29 15.296,33 13.389,34 8.547,35 11.023,36 73.587,37 6.315,38 276,39 69,40 4.248,41 4.934,42 7.455,43 4.726,44 4.583,45 9.738,46 3.432,48 32.477,49 7.111,50 1.691,51 4,52 22.548,53 0.178,54 11.657,55 11.657,56 1.125,57 4.575,58 4.575,59 22.53,60 264,61 1,62 4.742,63 55.188,64 2,65 4.018,66 7.838,67 7.838,68 5.609,69 60.694,70 8.963}
{0 CHEMBL1172049,11 1,13 3,14 26.541,16 19.063,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.36,24 1.5,25 11.544,26 17.12,28 2.5,29 15.203,33 13.315,34 8.493,35 10.952,36 74.697,37 6.323,38 278,39 70,40 4.263,41 4.949,42 7.46,43 4.733,44 4.592,45 9.674,46 3.431,48 32.713,49 6.455,50 1.692,51 4,52 22.573,53 0.176,54 10.195,55 10.195,56 0.91,57 4.575,58 4.575,59 22.53,60 290,61 1,62 4.744,63 55.643,64 2,65 4.026,66 7.838,67 7.838,68 5.636,69 60.694,70 8.211}
{0 CHEMBL1172050,11 1,13 3,14 26.419,15 2,16 18.994,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.285,24 1.5,25 11.459,26 17.046,28 2.5,29 15.123,33 13.233,34 8.346,35 10.819,36 71.21,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.392,43 4.705,44 4.567,45 9.527,46 3.431,48 31.627,49 6.447,50 1.691,51 4,52 22.141,53 0.181,54 9.93,55 9.93,56 1.163,57 4.575,58 4.575,59 22.53,60 252,61 1,62 4.721,63 53.489,64 2,65 3.983,66 7.838,67 7.838,68 5.593,69 60.694,70 8.79}
{0 CHEMBL1172051,11 1,13 3,14 26.422,15 2,16 18.99,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.283,24 1.5,25 11.453,26 17.042,28 2.5,29 15.12,33 13.231,34 8.342,35 10.816,36 71.483,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.392,43 4.706,44 4.56,45 9.525,46 3.431,48 32.041,49 6.447,50 1.692,51 4,52 22.07,53 0.181,54 9.929,55 9.929,56 1.147,57 4.575,58 4.575,59 22.53,60 250,61 1,62 4.721,63 53.489,64 2,65 3.983,66 7.838,67 7.838,68 5.586,69 60.694,70 8.772}
{0 CHEMBL1172052,11 1,13 3,14 50.635,16 19.241,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.624,24 1.5,25 11.658,26 17.279,28 2.5,29 15.339,33 13.426,34 8.591,35 11.057,36 76.014,37 6.337,38 282,39 70,40 4.263,41 4.949,42 7.474,43 4.765,44 4.613,45 9.769,46 3.545,48 33.69,49 7.285,50 1.691,51 4,52 23.132,53 0.176,54 12.335,55 12.335,56 1.494,57 4.575,58 4.575,59 22.53,60 294,61 1,62 4.785,63 58.938,64 3,65 4.064,66 7.838,67 7.838,68 5.637,69 77.099,70 8.533}
{0 CHEMBL1172053,11 1,13 3,14 51.43,16 19.368,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.676,24 1.5,25 11.74,26 17.391,28 2.5,29 15.436,33 13.508,34 8.655,35 11.137,36 78.054,37 6.365,38 290,39 72,40 4.29,41 4.977,42 7.505,43 4.782,44 4.63,45 9.844,46 3.565,48 34.135,49 7.616,50 1.691,51 4,52 23.406,53 0.175,54 13.28,55 13.28,56 1.607,57 4.575,58 4.575,59 22.53,60 282,61 1,62 4.807,63 60.699,64 5,65 4.087,66 7.838,67 7.838,68 5.648,69 60.694,70 8.301}
{0 CHEMBL1172070,13 2,14 25.893,16 18.775,17 1,18 13.875,19 13.875,20 13.875,21 6,22 13.25,24 1.5,25 11.296,26 16.841,28 2.5,29 14.93,33 13.05,34 8.215,35 10.635,36 62.25,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.309,43 4.588,44 4.427,45 9.335,46 3.326,48 28.278,49 6.694,50 1.698,51 2,52 19.97,53 0.189,54 10.852,55 10.852,56 1.589,57 4.49,58 4.49,59 21.07,60 172,62 4.629,63 49.08,64 1,65 3.904,66 7.622,67 7.622,68 5.425,69 18.011,70 5}
{0 CHEMBL1172157,11 1,13 3,14 26.541,16 18.94,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.162,24 1.5,25 11.397,26 16.983,28 2.5,29 15.05,33 13.151,34 8.271,35 10.754,36 65.916,37 6.192,38 244,39 60,40 4.111,41 4.796,42 7.311,43 4.691,44 4.517,45 9.448,46 3.432,48 32.444,49 6.455,50 1.5,51 4,52 22.372,53 0.186,54 9.965,55 9.965,56 1.507,57 4.575,58 4.575,59 22.53,60 207,61 1,62 4.738,63 52.609,64 2,65 3.955,66 7.838,67 7.838,68 5.565,69 42.683,70 8.456}
{0 CHEMBL1172438,11 1,13 3,14 26.69,16 18.959,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.224,24 1.5,25 11.425,26 17.007,28 2.5,29 15.082,33 13.19,34 8.311,35 10.783,36 69.094,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.361,43 4.721,44 4.555,45 9.484,46 3.433,48 33.425,49 6.455,50 1.5,51 4,52 22.937,53 0.182,54 9.966,55 9.966,56 1.348,57 4.575,58 4.575,59 22.53,60 262,61 1,62 4.764,63 54.824,64 2,65 3.992,66 7.838,67 7.838,68 5.608,69 42.683,70 7.836}
{0 CHEMBL1172439,11 1,13 3,14 48.567,16 18.992,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.331,24 1.5,25 11.457,26 17.044,28 2.5,29 15.122,33 13.233,34 8.347,35 10.817,36 71.957,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.392,43 4.705,44 4.55,45 9.525,46 3.439,48 32.467,49 6.455,50 1.684,51 4,52 22.222,53 0.181,54 9.966,55 9.966,56 1.246,57 4.575,58 4.575,59 22.53,60 252,61 1,62 4.755,63 53.762,64 3,65 3.985,66 7.838,67 7.838,68 5.592,69 42.683,70 8.276}
{0 CHEMBL1172622,11 1,13 3,14 26.612,16 19.189,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.405,24 1.5,25 11.614,26 17.232,28 2.5,29 15.297,33 13.389,34 8.547,35 11.024,36 72.261,37 6.301,38 272,39 68,40 4.234,41 4.92,42 7.444,43 4.712,44 4.563,45 9.74,46 3.437,48 32.652,49 7.111,50 1.684,51 4,52 22.507,53 0.18,54 11.657,55 11.657,56 1.06,57 4.575,58 4.575,59 22.53,60 242,61 1,62 4.759,63 54.182,64 2,65 4.005,66 7.838,67 7.838,68 5.606,69 42.683,70 6.826}
{0 CHEMBL1172623,11 1,13 3,14 50.315,16 19.189,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.598,24 1.5,25 11.614,26 17.232,28 2.5,29 15.297,33 13.389,34 8.547,35 11.024,36 74.669,37 6.301,38 272,39 68,40 4.234,41 4.92,42 7.444,43 4.75,44 4.587,45 9.74,46 3.556,48 33.983,49 7.111,50 1.685,51 4,52 23.924,53 0.18,54 11.657,55 11.657,56 1.267,57 4.575,58 4.575,59 22.53,60 242,61 1,62 4.789,63 56.927,64 3,65 4.04,66 7.838,67 7.838,68 5.63,69 42.683,70 8.398}
{0 CHEMBL1172624,11 1,13 3,14 49.841,16 19.189,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.598,24 1.5,25 11.614,26 17.232,28 2.5,29 15.297,33 13.389,34 8.547,35 11.024,36 73.688,37 6.301,38 272,39 68,40 4.234,41 4.92,42 7.444,43 4.741,44 4.579,45 9.74,46 3.529,48 33.568,49 7.111,50 1.685,51 4,52 23.577,53 0.18,54 11.657,55 11.657,56 1.25,57 4.575,58 4.575,59 22.53,60 242,61 1,62 4.78,63 56.171,64 3,65 4.028,66 7.838,67 7.838,68 5.622,69 73.975,70 8.678}
{0 CHEMBL1172625,11 1,13 3,14 50.884,16 19.243,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.623,24 1.5,25 11.661,26 17.28,28 2.5,29 15.339,33 13.425,34 8.591,35 11.058,36 74.729,37 6.323,38 278,39 69,40 4.248,41 4.934,42 7.462,43 4.76,44 4.599,45 9.771,46 3.544,48 34.005,49 7.286,50 1.685,51 4,52 23.877,53 0.178,54 12.335,55 12.335,56 1.418,57 4.575,58 4.575,59 22.53,60 272,61 1,62 4.802,63 57.932,64 3,65 4.052,66 7.838,67 7.838,68 5.633,69 59.088,70 8.815}
{0 CHEMBL1172626,11 1,13 3,14 51.69,16 19.369,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.675,24 1.5,25 11.742,26 17.392,28 2.5,29 15.436,33 13.508,34 8.655,35 11.138,36 76.826,37 6.351,38 286,39 71,40 4.277,41 4.963,42 7.494,43 4.779,44 4.618,45 9.845,46 3.558,48 34.456,49 7.616,50 1.686,51 4,52 24.187,53 0.177,54 13.28,55 13.28,56 1.538,57 4.575,58 4.575,59 22.53,60 261,61 1,62 4.823,63 59.694,64 5,65 4.075,66 7.838,67 7.838,68 5.643,69 42.683,70 8.479}
{0 CHEMBL1172870,13 2,14 27.356,16 19,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.165,24 1.134,25 11.443,26 17.014,28 2.218,29 15.055,33 13.133,34 8.301,35 10.745,36 61.226,37 6.129,38 229,39 56,40 4.043,41 4.727,42 7.258,43 4.506,44 4.331,45 9.422,46 3.406,48 26.682,49 6.26,50 1.494,51 4,52 18.463,53 0.192,54 9.24,55 9.24,56 1.414,57 4.626,58 4.626,59 23.665,60 196,61 2,62 4.528,63 49.285,64 1,65 3.889,66 7.993,67 7.993,68 5.396,69 18.011,70 6.244}
{0 CHEMBL1172871,13 2,14 27.424,16 18.965,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.138,24 1.499,25 11.411,26 16.978,28 2.5,29 15.021,33 13.104,34 8.274,35 10.714,36 65.908,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.29,43 4.555,44 4.362,45 9.383,46 3.414,48 28.625,49 6.259,50 1.5,51 4,52 20.697,53 0.187,54 9.111,55 9.111,56 1.476,57 4.626,58 4.626,59 23.665,60 234,61 2,62 4.618,63 52.802,64 1,65 3.954,66 7.993,67 7.993,68 5.442,69 18.011,70 6.77}
{0 CHEMBL1173007,13 2,14 27.384,16 18.965,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.138,24 1.499,25 11.411,26 16.978,28 2.5,29 15.021,33 13.104,34 8.274,35 10.714,36 63.79,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.29,43 4.491,44 4.329,45 9.383,46 3.411,48 26.724,49 6.259,50 1.5,51 4,52 18.099,53 0.187,54 9.111,55 9.111,56 1.365,57 4.626,58 4.626,59 23.665,60 234,61 2,62 4.562,63 50.853,64 2,65 3.921,66 7.993,67 7.993,68 5.426,69 18.011,70 7.678}
{0 CHEMBL1173072,13 2,14 27.39,16 18.998,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.164,24 1.499,25 11.439,26 17.012,28 2.5,29 15.054,33 13.133,34 8.301,35 10.739,36 62.647,37 6.146,38 233,39 57,40 4.06,41 4.745,42 7.28,43 4.506,44 4.335,45 9.411,46 3.411,48 27.22,49 6.259,50 1.5,51 4,52 18.314,53 0.189,54 9.111,55 9.111,56 1.379,57 4.626,58 4.626,59 23.665,60 214,61 2,62 4.551,63 50.398,64 1,65 3.912,66 7.993,67 7.993,68 5.427,69 18.011,70 7.149}
{0 CHEMBL1173133,10 1,12 1,13 2,14 27.549,16 19.128,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.336,24 1.494,25 11.576,26 17.15,28 2.5,29 15.196,33 13.275,34 8.425,35 10.881,36 65.071,37 6.201,38 246,39 60,40 4.111,41 4.796,42 7.338,43 4.61,44 4.426,45 9.568,46 3.409,47 1,48 31.21,49 6.776,50 1.5,51 4,52 20.731,53 0.189,54 11.036,55 11.036,56 1.451,57 4.626,58 4.626,59 23.665,60 195,61 2,62 4.686,63 52.165,64 1,65 3.934,66 7.993,67 7.993,68 5.562,69 18.011,70 7.456}
{0 CHEMBL1173134,13 2,14 27.344,16 19,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.165,24 1.134,25 11.443,26 17.014,28 2.218,29 15.055,33 13.133,34 8.301,35 10.745,36 61.226,37 6.129,38 229,39 56,40 4.043,41 4.727,42 7.258,43 4.498,44 4.329,45 9.422,46 3.406,47 1,48 26.857,49 6.26,50 1.494,51 4,52 17.906,53 0.192,54 9.24,55 9.24,56 1.396,57 4.626,58 4.626,59 23.665,60 196,61 2,62 4.516,63 48.643,64 1,65 3.875,66 7.993,67 7.993,68 5.417,69 34.796,70 6.796}
{0 CHEMBL1173204,1 1,4 3,5 1,7 1,8 1,9 1,11 1,13 1,14 37.549,16 18.949,17 1,18 15.237,19 15.237,20 15.237,21 4,22 13.138,24 1.181,25 11.382,26 16.956,28 2.306,29 14.993,30 1,33 13.069,34 8.25,35 10.683,36 58.411,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.198,43 4.147,44 4.03,45 9.362,46 3.194,48 19.256,49 6.254,50 1.5,51 4,52 13.241,53 0.199,54 9.06,55 9.06,56 1.165,57 4.626,58 4.626,59 23.665,60 195,61 2,62 4.356,63 43.711,64 1,65 3.782,66 7.993,67 7.993,68 5.205,69 60.694,70 5.523}
{0 CHEMBL1173642,13 2,14 27.402,16 18.964,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.139,24 1.5,25 11.408,26 16.976,28 2.5,29 15.02,33 13.105,34 8.274,35 10.713,36 65.123,37 6.176,38 240,39 59,40 4.094,41 4.779,42 7.303,43 4.576,44 4.383,45 9.381,46 3.424,48 30.331,49 6.259,50 1.5,51 4,52 20.61,53 0.185,54 9.11,55 9.11,56 1.366,57 4.626,58 4.626,59 23.665,60 250,61 2,62 4.642,63 53.37,64 1,65 3.965,66 7.993,67 7.993,68 5.519,69 18.011,70 5.523}
{0 CHEMBL1173645,12 1,13 2,14 27.425,16 19.043,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.242,24 1.494,25 11.491,26 17.062,28 2.5,29 15.109,33 13.19,34 8.349,35 10.798,36 63.221,37 6.163,38 237,39 58,40 4.078,41 4.762,42 7.296,43 4.551,44 4.376,45 9.482,46 3.406,48 29.045,49 6.331,50 1.5,51 4,52 19.36,53 0.19,54 9.713,55 9.713,56 1.38,57 4.626,58 4.626,59 23.665,60 196,61 2,62 4.599,63 49.853,64 2,65 3.901,66 7.993,67 7.993,68 5.493,69 18.011,70 6.347}
{0 CHEMBL1173646,13 2,14 40.163,16 19.041,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.245,24 1.499,25 11.485,26 17.06,28 2.5,29 15.108,33 13.191,34 8.347,35 10.786,36 66.879,37 6.196,38 245,39 60,40 4.111,41 4.796,42 7.331,43 4.541,44 4.372,45 9.466,46 3.416,48 28.308,49 6.391,50 1.5,51 4,52 19.311,53 0.186,54 9.668,55 9.668,56 1.427,57 4.626,58 4.626,59 23.665,60 229,61 2,62 4.612,63 52.609,64 1,65 3.96,66 7.993,67 7.993,68 5.452,69 18.011,70 7.092}
{0 CHEMBL1173647,13 2,14 27.399,15 1,16 18.977,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.191,24 1.499,25 11.429,26 16.994,28 2.5,29 15.042,33 13.132,34 8.301,35 10.735,36 65.896,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.323,43 4.508,44 4.355,45 9.412,46 3.413,48 27.187,49 6.259,50 1.5,51 4,52 18.754,53 0.186,54 9.111,55 9.111,56 1.142,57 4.626,58 4.626,59 23.665,60 258,61 2,62 4.593,63 51.546,64 1,65 3.943,66 7.993,67 7.993,68 5.457,69 18.011,70 7.036}
{0 CHEMBL1173707,13 2,14 39.234,16 19.016,18 15.238,19 15.238,20 15.238,21 4,22 13.127,24 1,25 11.443,26 17.029,28 2.069,29 15.068,33 13.14,34 8.31,35 10.74,36 58.993,37 6.075,38 217,39 53,40 3.989,41 4.673,42 7.212,43 4.45,44 4.305,45 9.425,46 3.295,48 24.931,49 6.264,50 1.105,51 4,52 16.696,53 0.199,54 9.191,55 9.191,56 1.307,57 4.627,58 4.627,59 23.666,60 209,61 2,62 4.495,63 47.302,64 2,65 3.837,66 7.993,67 7.993,68 5.4,69 18.011,70 5.523}
{0 CHEMBL1173708,13 2,14 39.733,16 18.963,18 15.237,19 15.237,20 15.237,21 4,22 13.027,24 1,25 11.379,26 16.968,28 2,29 14.999,33 13.067,34 8.241,35 10.68,36 57.243,37 6.033,38 208,39 51,40 3.951,41 4.635,42 7.165,43 4.432,44 4.266,45 9.355,46 3.187,48 25.334,49 6.262,50 1.095,51 4,52 17.086,53 0.201,54 9.123,55 9.123,56 1.552,57 4.627,58 4.627,59 23.666,60 182,61 2,62 4.454,63 45.54,64 4,65 3.803,66 7.993,67 7.993,68 5.389,69 18.011,70 5.523}
{0 CHEMBL1173710,13 2,14 27.438,16 18.977,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.191,24 1.499,25 11.429,26 16.994,28 2.5,29 15.042,33 13.132,34 8.301,35 10.735,36 65.616,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.323,43 4.553,44 4.387,45 9.412,46 3.414,48 28.399,49 6.259,50 1.5,51 4,52 19.331,53 0.186,54 9.111,55 9.111,56 1.37,57 4.626,58 4.626,59 23.665,60 258,61 2,62 4.618,63 53.37,64 1,65 3.965,66 7.993,67 7.993,68 5.473,69 18.011,70 7.102}
{0 CHEMBL1173712,9 1,13 2,14 27.412,16 18.977,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.191,24 1.499,25 11.429,26 16.994,28 2.5,29 15.042,33 13.132,34 8.301,35 10.735,36 65.641,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.323,43 4.521,44 4.364,45 9.412,46 3.413,48 27.509,49 6.259,50 1.5,51 4,52 18.715,53 0.186,54 9.111,55 9.111,56 1.236,57 4.626,58 4.626,59 23.665,60 258,61 2,62 4.6,63 52.063,64 1,65 3.948,66 7.993,67 7.993,68 5.463,69 60.694,70 7.377}
{0 CHEMBL118196,13 2,14 39.679,16 19.105,17 1,18 13.634,19 13.634,20 13.634,21 4,22 13.529,24 1.5,25 11.486,26 17.137,28 2.5,29 15.187,33 13.265,34 8.438,35 10.902,36 67.383,37 6.192,38 244,39 61,40 4.127,41 4.812,42 7.332,43 4.792,44 4.606,45 9.607,46 3.441,48 35.555,49 7.454,50 1.5,51 4,52 26.105,53 0.186,54 13.046,55 13.046,56 1.496,57 4.486,58 4.486,59 21.681,60 253,62 4.793,63 55.466,64 4,65 3.996,66 7.664,67 7.664,68 5.608,70 5.167}
{0 CHEMBL118501,13 2,14 47.482,16 17.944,17 1,18 9.928,19 9.928,20 9.928,21 4,22 13.048,24 1.5,25 10.681,26 16.164,28 2.5,29 14.398,33 12.65,34 7.639,35 10.036,36 68.721,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.261,43 4.666,44 4.515,45 8.768,46 3.427,48 30.689,49 6.143,50 1.668,51 4,52 21.524,53 0.182,54 9.05,55 9.05,56 1.234,57 3.929,58 3.929,59 16.57,60 262,62 4.632,63 52.995,64 4,65 3.961,66 6.447,67 6.447,68 5.477,70 4.824}
{0 CHEMBL118544,13 1,14 62.416,16 19.618,17 1,18 15.791,19 15.791,20 15.791,21 4,22 13.81,24 1.696,25 11.85,26 17.585,28 2.667,29 15.575,33 13.598,34 8.763,35 11.286,36 77.081,37 6.323,38 278,39 70,40 4.263,41 4.949,42 7.48,43 4.887,44 4.708,45 9.967,46 3.475,48 39.575,49 7.476,50 1.728,51 4,52 28.744,53 0.179,54 13.187,55 13.187,56 1.349,57 4.718,58 4.718,59 24.964,60 314,62 4.91,63 59.381,64 5,65 4.068,66 8.377,67 8.377,68 5.719,70 4.959}
{0 CHEMBL1201187,13 6,14 13.094,16 18.59,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.175,24 1.334,25 11.23,26 16.735,28 2.367,29 14.894,33 13.069,34 8.202,35 10.629,36 63.491,37 6.176,38 240,39 60,40 4.111,41 4.796,42 7.317,43 4.623,44 4.453,45 9.383,46 3.309,47 1,48 30.363,49 6.715,50 1.5,51 10,52 20.645,53 0.192,54 10.9,55 10.9,56 1.129,57 4.195,58 4.195,59 18.493,60 170,62 4.663,63 48.825,64 2,65 3.89,66 6.872,67 6.872,68 5.517,69 18.011,70 7.728}
{0 CHEMBL120204,13 3,14 61.359,16 18.792,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.516,24 1.614,25 11.24,26 16.868,28 2.614,29 14.969,33 13.101,34 8.191,35 10.647,36 72.907,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.363,43 4.768,44 4.604,45 9.365,46 3.464,48 33.76,49 6.447,50 1.708,51 4,52 24.923,53 0.18,54 9.928,55 9.928,56 1.36,57 4.361,58 4.361,59 21.324,60 288,62 4.756,63 55.858,64 5,65 4.015,66 7.641,67 7.641,68 5.572,70 4.983}
{0 CHEMBL120419,13 3,14 59.541,16 18.489,17 1,18 12.092,19 12.092,20 12.092,21 3,22 13.362,24 1.5,25 11.011,26 16.613,28 2.5,29 14.756,33 12.923,34 8.04,35 10.452,36 65.472,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.239,43 4.657,44 4.476,45 9.203,46 3.375,48 31.462,49 6.447,50 1.5,51 4,52 22.741,53 0.193,54 9.928,55 9.928,56 1.325,57 4.215,58 4.215,59 19.15,60 236,62 4.659,63 51.858,64 5,65 3.92,66 7.244,67 7.244,68 5.522,70 5.222}
{0 CHEMBL120513,13 3,14 39.844,16 18.754,17 1,18 13.614,19 13.614,20 13.614,21 4,22 13.38,24 1.5,25 11.196,26 16.816,28 2.5,29 14.904,33 13.024,34 8.127,35 10.588,36 66.401,37 6.168,38 238,39 59,40 4.094,41 4.779,42 7.284,43 4.805,44 4.621,45 9.291,46 3.418,48 35.752,49 6.441,50 1.5,51 4,52 26.178,53 0.185,54 9.883,55 9.883,56 1.575,57 4.375,58 4.375,59 21.599,60 253,62 4.802,63 55.466,64 4,65 3.996,66 7.667,67 7.667,68 5.62,70 4.056}
{0 CHEMBL120569,13 3,14 61.359,16 18.792,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.516,24 1.614,25 11.24,26 16.868,28 2.614,29 14.969,33 13.101,34 8.191,35 10.647,36 72.907,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.363,43 4.768,44 4.604,45 9.365,46 3.464,48 33.76,49 6.447,50 1.708,51 4,52 24.923,53 0.18,54 9.928,55 9.928,56 1.36,57 4.361,58 4.361,59 21.324,60 288,62 4.756,63 55.858,64 5,65 4.015,66 7.641,67 7.641,68 5.572,70 5.456}
{0 CHEMBL120584,13 1,14 60.998,16 18.969,17 1,18 13.201,19 13.201,20 13.201,21 4,22 13.595,24 1.686,25 11.415,26 17.034,28 2.656,29 15.118,33 13.228,34 8.416,35 10.846,36 73.48,37 6.248,38 258,39 65,40 4.19,41 4.875,42 7.386,43 4.773,44 4.605,45 9.57,46 3.467,48 34.867,49 7.285,50 1.727,51 4,52 25.554,53 0.181,54 12.381,55 12.381,56 1.168,57 4.443,58 4.443,59 20.579,60 288,62 4.762,63 55.858,64 5,65 4.015,66 7.476,67 7.476,68 5.602,70 5.357}
{0 CHEMBL121321,13 3,14 39.353,16 18.727,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.371,24 1.5,25 11.159,26 16.792,28 2.5,29 14.882,33 13.004,34 8.1,35 10.567,36 65.273,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.266,43 4.726,44 4.549,45 9.274,46 3.416,48 32.197,49 6.441,50 1.5,51 4,52 23.886,53 0.187,54 9.883,55 9.883,56 1.591,57 4.361,58 4.361,59 21.324,60 240,62 4.706,63 53.705,64 4,65 3.967,66 7.641,67 7.641,68 5.512,70 5.066}
{0 CHEMBL1222765,11 1,13 3,14 48.373,16 19.011,17 1,18 14.499,19 14.499,20 14.499,21 5,22 13.385,24 1.68,25 11.486,26 17.068,28 2.671,29 15.153,33 13.27,34 8.385,35 10.845,36 76.474,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.449,43 4.783,44 4.64,45 9.558,46 3.428,48 35.031,49 6.447,50 1.752,51 4,52 23.82,53 0.176,54 9.929,55 9.929,56 1.293,57 4.578,58 4.578,59 22.572,60 301,61 1,62 4.788,63 56.432,64 5,65 4.029,66 7.839,67 7.839,68 5.684,69 42.683,70 6.498}
{0 CHEMBL1222766,11 1,13 3,14 48.183,15 1,16 19.001,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.375,24 1.5,25 11.471,26 17.058,28 2.5,29 15.141,33 13.258,34 8.373,35 10.834,36 75.003,37 6.308,38 274,39 68,40 4.234,41 4.92,42 7.434,43 4.711,44 4.576,45 9.548,46 3.428,48 31.679,49 6.447,50 1.704,51 4,52 22.251,53 0.178,54 9.929,55 9.929,56 1.229,57 4.575,58 4.575,59 22.533,60 288,61 1,62 4.72,63 54.154,64 5,65 4,66 7.838,67 7.838,68 5.599,69 42.683,70 7.523}
{0 CHEMBL1222767,11 1,13 3,14 48.181,15 1,16 19.003,17 1,18 14.498,19 14.498,20 14.498,21 5,22 13.376,24 1.678,25 11.475,26 17.06,28 2.661,29 15.143,33 13.259,34 8.373,35 10.837,36 75.226,37 6.308,38 274,39 68,40 4.234,41 4.92,42 7.434,43 4.711,44 4.58,45 9.55,46 3.428,48 31.877,49 6.447,50 1.742,51 4,52 22.243,53 0.178,54 9.929,55 9.929,56 1.221,57 4.577,58 4.577,59 22.569,60 288,61 1,62 4.72,63 54.154,64 5,65 4,66 7.839,67 7.839,68 5.596,69 42.683,70 8.053}
{0 CHEMBL1222768,11 1,13 3,14 26.488,15 1,16 19.197,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.446,24 1.5,25 11.626,26 17.244,28 2.5,29 15.313,33 13.41,34 8.567,35 11.038,36 75.278,37 6.34,38 283,39 71,40 4.277,41 4.963,42 7.484,43 4.724,44 4.594,45 9.759,46 3.433,48 31.92,49 7.111,50 1.704,51 4,52 22.612,53 0.177,54 11.657,55 11.657,56 1.048,57 4.575,58 4.575,59 22.533,60 277,61 1,62 4.74,63 55.126,64 2,65 4.025,66 7.838,67 7.838,68 5.62,69 60.694,70 7.417}
{0 CHEMBL1222769,11 1,13 3,14 26.487,15 1,16 19.198,17 1,18 14.498,19 14.498,20 14.498,21 5,22 13.447,24 1.678,25 11.63,26 17.245,28 2.661,29 15.314,33 13.411,34 8.567,35 11.041,36 75.484,37 6.34,38 283,39 71,40 4.277,41 4.963,42 7.484,43 4.724,44 4.597,45 9.76,46 3.433,48 32.112,49 7.111,50 1.742,51 4,52 22.605,53 0.177,54 11.657,55 11.657,56 1.042,57 4.577,58 4.577,59 22.569,60 277,61 1,62 4.74,63 55.126,64 2,65 4.025,66 7.839,67 7.839,68 5.617,69 60.694,70 8.86}
{0 CHEMBL1222770,11 1,13 3,14 50.873,15 1,16 19.251,17 1,18 14.49,19 14.49,20 14.49,21 5,22 13.656,24 1.5,25 11.675,26 17.292,28 2.5,29 15.355,33 13.446,34 8.611,35 11.073,36 76.51,37 6.347,38 285,39 71,40 4.277,41 4.963,42 7.491,43 4.758,44 4.61,45 9.791,46 3.545,48 33.481,49 7.286,50 1.695,51 4,52 23.945,53 0.177,54 12.335,55 12.335,56 1.243,57 4.575,58 4.575,59 22.533,60 285,61 1,62 4.8,63 57.87,64 3,65 4.058,66 7.838,67 7.838,68 5.643,69 59.088,70 7.952}
{0 CHEMBL1222771,11 1,13 3,14 50.871,15 1,16 19.253,17 1,18 14.498,19 14.498,20 14.498,21 5,22 13.657,24 1.675,25 11.678,26 17.294,28 2.661,29 15.356,33 13.447,34 8.611,35 11.075,36 76.635,37 6.347,38 285,39 71,40 4.277,41 4.963,42 7.491,43 4.758,44 4.613,45 9.792,46 3.544,48 33.661,49 7.286,50 1.735,51 4,52 23.935,53 0.177,54 12.335,55 12.335,56 1.234,57 4.577,58 4.577,59 22.569,60 285,61 1,62 4.8,63 57.87,64 3,65 4.058,66 7.839,67 7.839,68 5.641,69 59.088,70 8.526}
{0 CHEMBL1222772,11 1,13 5,14 26.861,15 1,16 19.293,17 1,18 14.501,19 14.501,20 14.501,21 7,22 13.528,24 1.77,25 11.746,26 17.346,28 2.774,29 15.421,33 13.522,34 8.668,35 11.147,36 81.141,37 6.428,38 309,39 77,40 4.357,41 5.043,42 7.574,43 4.879,44 4.746,45 9.869,46 3.498,48 37.549,49 7.111,50 1.879,51 4,52 26.535,53 0.171,54 11.657,55 11.657,56 1.001,57 4.579,58 4.579,59 22.582,60 299,61 1,62 4.892,63 57.887,64 2,65 4.086,66 7.839,67 7.839,68 5.746,69 60.694,70 8.169}
{0 CHEMBL1222773,11 1,13 5,14 51.908,15 1,16 19.456,17 1,18 14.501,19 14.501,20 14.501,21 7,22 13.771,24 1.771,25 11.859,26 17.49,28 2.774,29 15.545,33 13.626,34 8.765,35 11.249,36 85.546,37 6.472,38 323,39 80,40 4.394,41 5.081,42 7.618,43 4.927,44 4.787,45 9.962,46 3.573,48 39.216,49 7.616,50 1.879,51 4,52 27.389,53 0.169,54 13.28,55 13.28,56 1.341,57 4.579,58 4.579,59 22.582,60 320,61 1,62 4.948,63 63.398,64 5,65 4.15,66 7.839,67 7.839,68 5.78,69 60.694,70 7.943}
{0 CHEMBL1222774,11 1,13 5,14 26.797,15 2,16 19.082,17 1,18 14.501,19 14.501,20 14.501,21 7,22 13.361,24 1.686,25 11.574,26 17.14,28 2.692,29 15.224,33 13.34,34 8.451,35 10.93,36 76.705,37 6.358,38 288,39 71,40 4.277,41 4.963,42 7.487,43 4.863,44 4.72,45 9.64,46 3.495,48 37.333,49 6.628,50 1.771,51 4,52 26.03,53 0.175,54 10.661,55 10.661,56 1.101,57 4.579,58 4.579,59 22.582,60 290,61 1,62 4.875,63 56.251,64 2,65 4.047,66 7.839,67 7.839,68 5.722,69 60.694,70 7.523}
{0 CHEMBL1222775,11 1,13 5,14 51.113,15 1,16 19.341,17 1,18 14.501,19 14.501,20 14.501,21 7,22 13.724,24 1.771,25 11.787,26 17.389,28 2.774,29 15.458,33 13.554,34 8.708,35 11.178,36 83.501,37 6.447,38 315,39 78,40 4.369,41 5.056,42 7.59,43 4.913,44 4.772,45 9.896,46 3.557,48 38.773,49 7.285,50 1.879,51 4,52 27.114,53 0.17,54 12.335,55 12.335,56 1.253,57 4.579,58 4.579,59 22.582,60 332,61 1,62 4.929,63 61.637,64 3,65 4.129,66 7.839,67 7.839,68 5.771,69 77.099,70 8.4}
{0 CHEMBL1222776,11 1,13 5,14 26.861,15 1,16 19.293,17 1,18 14.501,19 14.501,20 14.501,21 7,22 13.528,24 1.77,25 11.746,26 17.346,28 2.774,29 15.421,33 13.522,34 8.668,35 11.147,36 81.141,37 6.428,38 309,39 77,40 4.357,41 5.043,42 7.574,43 4.879,44 4.746,45 9.869,46 3.498,48 37.549,49 7.111,50 1.879,51 4,52 26.535,53 0.171,54 11.657,55 11.657,56 1.001,57 4.579,58 4.579,59 22.582,60 299,61 1,62 4.892,63 57.887,64 2,65 4.086,66 7.839,67 7.839,68 5.746,69 60.694,70 7.845}
{0 CHEMBL1222777,11 1,13 5,14 51.113,15 1,16 19.341,17 1,18 14.501,19 14.501,20 14.501,21 7,22 13.724,24 1.771,25 11.787,26 17.389,28 2.774,29 15.458,33 13.554,34 8.708,35 11.178,36 83.501,37 6.447,38 315,39 78,40 4.369,41 5.056,42 7.59,43 4.913,44 4.772,45 9.896,46 3.557,48 38.773,49 7.285,50 1.879,51 4,52 27.114,53 0.17,54 12.335,55 12.335,56 1.253,57 4.579,58 4.579,59 22.582,60 332,61 1,62 4.929,63 61.637,64 3,65 4.129,66 7.839,67 7.839,68 5.771,69 77.099,70 7.567}
{0 CHEMBL1255794,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 38.58,16 19.095,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.318,24 1.5,25 11.55,26 17.123,28 2.5,29 15.18,30 2,31 2,32 1,33 13.272,34 8.423,35 10.852,36 71.343,37 6.271,38 264,39 65,40 4.19,41 4.875,42 7.41,43 4.576,44 4.438,45 9.544,46 3.417,48 28.608,49 6.613,50 1.583,51 4,52 19.642,53 0.181,54 10.352,55 10.352,56 1.192,57 4.631,58 4.631,59 23.703,60 284,61 2,62 4.638,63 53.972,64 1,65 3.992,66 7.995,67 7.995,68 5.521,69 103.377,70 8.523}
{0 CHEMBL1269386,13 4,14 63.473,16 19.209,17 1,18 14.236,19 14.236,20 14.236,21 6,22 13.795,24 1.5,25 11.636,26 17.258,28 2.5,29 15.326,33 13.419,34 8.56,35 11.053,36 71.885,37 6.267,38 263,39 66,40 4.205,41 4.89,42 7.426,43 4.653,44 4.464,45 9.776,46 3.53,48 30.806,49 7.111,50 1.706,51 2,52 23.453,53 0.188,54 11.66,55 11.66,56 0.947,57 4.467,58 4.467,59 22.816,60 180,62 4.658,63 52.148,64 5,65 3.965,66 7.8,67 7.8,68 5.467,70 5.663}
{0 CHEMBL1269387,13 4,14 63.198,16 19.167,17 1,18 13.933,19 13.933,20 13.933,21 6,22 13.812,24 1.5,25 11.598,26 17.224,28 2.691,29 15.3,33 13.401,34 8.541,35 11.029,36 75.61,37 6.282,38 267,39 67,40 4.22,41 4.905,42 7.438,43 4.616,44 4.444,45 9.757,46 3.546,48 28.561,49 7.111,50 1.707,51 2,52 22.13,53 0.185,54 11.66,55 11.66,56 0.968,57 4.434,58 4.434,59 22.402,60 240,62 4.633,63 51.631,64 5,65 3.965,66 7.742,67 7.742,68 5.408,70 5.385}
{0 CHEMBL1269884,13 5,14 26.146,16 18.471,17 1,18 11.05,19 11.05,20 11.05,21 7,22 13.149,24 1.414,25 11.158,26 16.634,28 2.414,29 14.811,33 13.006,34 8.013,35 10.506,36 66.546,37 6.229,38 253,39 62,40 4.143,41 4.828,42 7.385,43 4.536,44 4.371,45 9.247,46 3.323,48 27.316,49 6.598,50 1.5,51 3,52 18.376,53 0.185,54 10.542,55 10.542,56 1.299,57 4.181,58 4.181,59 18.324,60 176,62 4.577,63 50.643,64 3,65 3.933,66 6.798,67 6.798,68 5.405,70 5.548}
{0 CHEMBL1269992,13 5,14 25.73,16 18.382,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.101,24 1.414,25 11.08,26 16.55,28 2.414,29 14.732,33 12.934,34 7.947,35 10.433,36 63.55,37 6.168,38 238,39 59,40 4.094,41 4.779,42 7.332,43 4.492,44 4.323,45 9.179,46 3.318,48 26.467,49 6.564,50 1.5,51 3,52 17.643,53 0.192,54 10.448,55 10.448,56 1.086,57 4.181,58 4.181,59 18.324,60 183,62 4.565,63 49.643,64 3,65 3.894,66 6.798,67 6.798,68 5.383,70 5.301}
{0 CHEMBL1270101,13 5,14 38.374,16 18.976,17 1,18 13.345,19 13.345,20 13.345,21 6,22 13.52,24 1.414,25 11.445,26 17.05,28 2.414,29 15.142,33 13.259,34 8.349,35 10.853,36 64.096,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.386,43 4.528,44 4.355,45 9.581,46 3.295,48 26.817,49 6.798,50 1.5,51 3,52 19.008,53 0.193,54 11.05,55 11.05,56 1.456,57 4.441,58 4.441,59 21.099,60 164,62 4.565,63 48.983,64 5,65 3.889,66 7.626,67 7.626,68 5.414,70 7.032}
{0 CHEMBL1270209,13 5,14 38.503,16 19.027,17 1,18 13.696,19 13.696,20 13.696,21 7,22 13.555,24 1.427,25 11.51,26 17.096,28 2.457,29 15.185,33 13.299,34 8.408,35 10.92,36 65.95,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.424,43 4.508,44 4.339,45 9.642,46 3.334,48 26.122,49 6.798,50 1.5,51 3,52 18.7,53 0.188,54 11.05,55 11.05,56 1.335,57 4.488,58 4.488,59 21.8,60 164,62 4.554,63 48.222,64 5,65 3.899,66 7.684,67 7.684,68 5.389,70 6.504}
{0 CHEMBL1270303,13 5,14 38.488,15 1,16 19.039,17 1,18 13.696,19 13.696,20 13.696,21 7,22 13.591,24 1.432,25 11.53,26 17.112,28 2.46,29 15.205,33 13.323,34 8.432,35 10.94,36 67.856,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.453,43 4.506,44 4.355,45 9.666,46 3.334,48 25.735,49 6.798,50 1.775,51 3,52 18.781,53 0.187,54 11.05,55 11.05,56 1.123,57 4.488,58 4.488,59 21.801,60 174,62 4.552,63 48.16,64 5,65 3.906,66 7.684,67 7.684,68 5.396,70 7.523}
{0 CHEMBL1270400,13 5,14 25.776,16 18.365,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.087,24 1.466,25 11.058,26 16.537,28 2.5,29 14.725,33 12.932,34 7.947,35 10.394,36 66.684,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.319,43 4.586,44 4.398,45 9.14,46 3.347,48 30.491,49 6.502,50 1.5,51 2,52 19.95,53 0.187,54 10.189,55 10.189,56 1.095,57 4.181,58 4.181,59 18.324,60 207,62 4.697,63 52.41,64 3,65 3.938,66 6.798,67 6.798,68 5.522,69 18.011,70 5.301}
{0 CHEMBL1270401,13 5,14 38.473,15 2,16 19.053,17 1,18 13.696,19 13.696,20 13.696,21 7,22 13.627,24 1.471,25 11.553,26 17.129,28 2.496,29 15.225,33 13.348,34 8.455,35 10.961,36 69.756,37 6.293,38 270,39 67,40 4.22,41 4.905,42 7.482,43 4.503,44 4.371,45 9.692,46 3.335,48 25.33,49 6.798,50 1.833,51 3,52 18.863,53 0.186,54 11.05,55 11.05,56 0.921,57 4.489,58 4.489,59 21.801,60 185,62 4.549,63 48.097,64 5,65 3.914,66 7.684,67 7.684,68 5.403,70 7.201}
{0 CHEMBL1270493,13 4,14 13.215,16 18.468,17 2,18 11.05,19 11.05,20 11.05,21 6,22 13.145,24 1.414,25 11.152,26 16.632,28 2.414,29 14.808,33 13.002,34 8.122,35 10.563,36 64.233,37 6.184,38 242,39 61,40 4.127,41 4.812,42 7.322,43 4.506,44 4.343,45 9.32,46 3.246,48 27.342,49 6.503,50 1.5,51 2,52 18.699,53 0.19,54 10.226,55 10.226,56 0.513,57 4.181,58 4.181,59 18.324,60 178,62 4.57,63 48.001,64 2,65 3.882,66 6.798,67 6.798,68 5.423,70 7.469}
{0 CHEMBL1270594,13 5,14 13.218,16 18.285,17 2,18 11.05,19 11.05,20 11.05,21 6,22 13,24 1.414,25 10.991,26 16.458,28 2.414,29 14.647,33 12.856,34 7.874,35 10.326,36 62.806,37 6.151,38 234,39 58,40 4.078,41 4.762,42 7.268,43 4.508,44 4.331,45 9.066,46 3.235,48 27.582,49 6.501,50 1.5,51 2,52 18.664,53 0.191,54 10.185,55 10.185,56 0.569,57 4.181,58 4.181,59 18.324,60 185,62 4.571,63 48.063,64 2,65 3.874,66 6.798,67 6.798,68 5.416,70 6.863}
{0 CHEMBL1270693,13 5,14 13.215,15 1,16 18.311,17 2,18 11.05,19 11.05,20 11.05,21 6,22 13.062,24 1.414,25 11.024,26 16.487,28 2.414,29 14.68,33 12.894,34 7.915,35 10.361,36 64.645,37 6.18,38 241,39 60,40 4.111,41 4.796,42 7.302,43 4.505,44 4.351,45 9.108,46 3.235,48 27.009,49 6.509,50 1.71,51 2,52 18.747,53 0.189,54 10.224,55 10.224,56 0.554,57 4.181,58 4.181,59 18.324,60 190,62 4.568,63 48.001,64 2,65 3.882,66 6.798,67 6.798,68 5.432,70 7.959}
{0 CHEMBL1270798,13 5,14 13.211,15 2,16 18.339,17 2,18 11.05,19 11.05,20 11.05,21 6,22 13.121,24 1.414,25 11.062,26 16.519,28 2.414,29 14.715,33 12.931,34 7.953,35 10.399,36 66.482,37 6.209,38 248,39 62,40 4.143,41 4.828,42 7.335,43 4.502,44 4.369,45 9.152,46 3.235,48 26.385,49 6.519,50 1.813,51 2,52 18.829,53 0.188,54 10.271,55 10.271,56 0.48,57 4.181,58 4.181,59 18.324,60 196,62 4.565,63 47.938,64 2,65 3.89,66 6.798,67 6.798,68 5.447,70 7.721}
{0 CHEMBL1270900,13 4,14 25.187,16 18.35,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.062,24 1.414,25 11.034,26 16.519,28 2.414,29 14.703,33 12.905,34 7.921,35 10.368,36 63.754,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.276,43 4.489,44 4.324,45 9.112,46 3.176,48 26.755,49 6.502,50 1.5,51 2,52 17.915,53 0.191,54 10.189,55 10.189,56 1.135,57 4.181,58 4.181,59 18.324,60 187,62 4.58,63 48.336,64 5,65 3.871,66 6.798,67 6.798,68 5.398,70 6.128}
{0 CHEMBL1271000,13 5,14 38.651,16 18.966,17 1,18 13.28,19 13.28,20 13.28,21 6,22 13.51,24 1.414,25 11.429,26 17.042,28 2.444,29 15.137,33 13.257,34 8.349,35 10.824,36 67.442,37 6.232,38 254,39 63,40 4.159,41 4.844,42 7.373,43 4.609,44 4.425,45 9.555,46 3.33,48 29.465,49 6.798,50 1.5,51 2,52 20.868,53 0.188,54 11.05,55 11.05,56 1.442,57 4.406,58 4.406,59 20.919,60 185,62 4.674,63 52.506,64 5,65 3.95,66 7.616,67 7.616,68 5.47,70 7.004}
{0 CHEMBL1271107,13 4,14 25.417,16 18.35,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.062,24 1.414,25 11.034,26 16.519,28 2.414,29 14.703,33 12.905,34 7.921,35 10.368,36 63.644,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.276,43 4.532,44 4.352,45 9.112,46 3.301,48 27.972,49 6.502,50 1.5,51 2,52 18.724,53 0.191,54 10.189,55 10.189,56 1.154,57 4.181,58 4.181,59 18.324,60 187,62 4.604,63 49.643,64 3,65 3.894,66 6.798,67 6.798,68 5.416,70 5.301}
{0 CHEMBL1271108,13 4,14 48.884,16 18.703,17 1,18 11.66,19 11.66,20 11.66,21 6,22 13.47,24 1.414,25 11.279,26 16.829,28 2.414,29 14.971,33 13.132,34 8.228,35 10.694,36 67.102,37 6.205,38 247,39 62,40 4.143,41 4.828,42 7.349,43 4.565,44 4.39,45 9.444,46 3.317,48 28.293,49 6.807,50 1.5,51 2,52 20.599,53 0.191,54 11.091,55 11.091,56 0.853,57 4.254,58 4.254,59 18.944,60 190,62 4.622,63 49.642,64 5,65 3.912,66 7.111,67 7.111,68 5.447,70 8.097}
{0 CHEMBL1271207,13 5,14 25.766,16 18.414,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.104,24 1.414,25 11.084,26 16.582,28 2.414,29 14.763,33 12.962,34 7.972,35 10.422,36 65.715,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.31,43 4.564,44 4.386,45 9.171,46 3.329,48 28.742,49 6.504,50 1.5,51 2,52 19.249,53 0.189,54 10.192,55 10.192,56 1.306,57 4.181,58 4.181,59 18.324,60 180,62 4.64,63 51.404,64 3,65 3.924,66 6.798,67 6.798,68 5.44,70 5.301}
{0 CHEMBL1271208,13 4,14 37.407,16 18.713,17 1,18 11.66,19 11.66,20 11.66,21 6,22 13.506,24 1.414,25 11.292,26 16.84,28 2.5,29 14.983,33 13.145,34 8.242,35 10.704,36 70.287,37 6.225,38 252,39 63,40 4.159,41 4.844,42 7.366,43 4.601,44 4.42,45 9.453,46 3.325,48 29.162,49 6.808,50 1.5,51 2,52 21.007,53 0.188,54 11.1,55 11.1,56 1.017,57 4.254,58 4.254,59 18.948,60 217,62 4.644,63 50.983,64 4,65 3.934,66 7.111,67 7.111,68 5.446,70 8.921}
{0 CHEMBL1271310,13 5,14 25.891,16 18.365,17 1,18 11.05,19 11.05,20 11.05,21 6,22 13.087,24 1.466,25 11.058,26 16.537,28 2.5,29 14.725,33 12.932,34 7.947,35 10.394,36 66.839,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.319,43 4.609,44 4.416,45 9.14,46 3.349,48 31.291,49 6.502,50 1.5,51 2,52 20.84,53 0.187,54 10.189,55 10.189,56 1.069,57 4.181,58 4.181,59 18.324,60 207,62 4.71,63 53.165,64 3,65 3.954,66 6.798,67 6.798,68 5.53,70 5.55}
{0 CHEMBL1271418,13 4,14 13.159,16 18.482,17 2,18 11.05,19 11.05,20 11.05,21 6,22 13.158,24 1.414,25 11.171,26 16.642,28 2.414,29 14.815,33 13.004,34 8.122,35 10.593,36 61.111,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.335,43 4.366,44 4.234,45 9.351,46 3.192,48 23.415,49 6.559,50 1.5,51 3,52 16.4,53 0.195,54 10.467,55 10.467,56 0.542,57 4.181,58 4.181,59 18.324,60 156,62 4.458,63 44.478,64 2,65 3.817,66 6.798,67 6.798,68 5.343,70 5.301}
{0 CHEMBL1288663,13 1,14 53.698,15 3,16 19.389,17 1,18 13.996,19 13.996,20 13.996,21 6,22 13.982,24 2.391,25 11.901,26 17.459,28 3.213,29 15.548,33 13.664,34 8.87,35 11.29,36 104.039,37 6.611,38 371,39 94,40 4.554,41 5.242,42 7.774,43 5.024,44 4.91,45 10.023,46 3.653,48 40.228,49 7.442,50 2.54,51 4,52 31.408,53 0.156,54 13.104,55 13.104,56 0.781,57 4.501,58 4.501,59 21.968,60 490,62 5.069,63 71.683,64 3,65 4.285,66 7.644,67 7.644,68 5.874,69 34.416,70 8.77}
{0 CHEMBL1288872,13 1,14 74.895,15 2,16 19.354,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.93,24 2.121,25 11.851,26 17.422,28 2.987,29 15.51,33 13.623,34 8.832,35 11.251,36 96.536,37 6.541,38 346,39 88,40 4.489,41 5.176,42 7.706,43 4.943,44 4.82,45 9.989,46 3.585,48 39.03,49 7.442,50 2.174,51 4,52 29.249,53 0.162,54 13.104,55 13.104,56 0.888,57 4.501,58 4.501,59 21.968,60 468,62 4.978,63 68.103,64 6,65 4.22,66 7.644,67 7.644,68 5.82,69 16.405,70 7.62}
{0 CHEMBL1288873,13 1,14 52.955,15 2,16 19.495,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.971,24 2.119,25 11.959,26 17.555,28 2.987,29 15.632,33 13.731,34 8.959,35 11.39,36 96.835,37 6.567,38 355,39 91,40 4.522,41 5.209,42 7.744,43 4.947,44 4.827,45 10.13,46 3.585,48 39.043,49 7.442,50 2.172,51 4,52 29.438,53 0.162,54 13.104,55 13.104,56 0.848,57 4.501,58 4.501,59 21.968,60 454,62 4.981,63 68.523,64 5,65 4.236,66 7.644,67 7.644,68 5.824,69 16.405,70 7.611}
{0 CHEMBL1288874,13 1,14 52.88,15 3,16 19.326,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.867,24 2.1,25 11.823,26 17.391,28 2.986,29 15.476,33 13.586,34 8.801,35 11.224,36 92.449,37 6.506,38 334,39 85,40 4.454,41 5.142,42 7.671,43 4.934,44 4.807,45 9.958,46 3.585,48 38.927,49 7.442,50 2.161,51 4,52 29.221,53 0.165,54 13.104,55 13.104,56 0.864,57 4.501,58 4.501,59 21.968,60 444,62 4.968,63 66.887,64 5,65 4.202,66 7.644,67 7.644,68 5.814,69 16.405,70 7.658}
{0 CHEMBL1288875,13 1,14 64.849,15 2,16 19.36,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.913,24 2.108,25 11.859,26 17.429,28 2.986,29 15.518,33 13.631,34 8.839,35 11.257,36 97.767,37 6.555,38 351,39 89,40 4.5,41 5.187,42 7.717,43 4.963,44 4.839,45 9.995,46 3.585,48 39.788,49 7.442,50 2.166,51 4,52 29.823,53 0.161,54 13.104,55 13.104,56 0.939,57 4.501,58 4.501,59 21.968,60 507,62 5.001,63 70.62,64 6,65 4.25,66 7.644,67 7.644,68 5.837,69 16.405,70 7.387}
{0 CHEMBL1288876,13 1,14 76.642,15 2,16 19.495,17 1,18 13.996,19 13.996,20 13.996,21 5,22 14.086,24 2.157,25 11.959,26 17.555,28 3.061,29 15.632,33 13.731,34 8.959,35 11.39,36 99.526,37 6.567,38 355,39 91,40 4.522,41 5.209,42 7.744,43 4.968,44 4.841,45 10.13,46 3.586,48 40.137,49 7.442,50 2.33,51 4,52 30.448,53 0.162,54 13.104,55 13.104,56 0.892,57 4.501,58 4.501,59 21.968,60 454,62 5.001,63 71.268,64 6,65 4.263,66 7.644,67 7.644,68 5.849,69 16.405,70 7.77}
{0 CHEMBL1288877,13 1,14 52.993,15 2,16 19.331,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.897,24 2.102,25 11.83,26 17.397,28 2.987,29 15.483,33 13.594,34 8.809,35 11.229,36 96.043,37 6.521,38 339,39 86,40 4.466,41 5.153,42 7.683,43 4.944,44 4.818,45 9.964,46 3.585,48 39.072,49 7.442,50 2.163,51 4,52 29.504,53 0.163,54 13.104,55 13.104,56 0.912,57 4.501,58 4.501,59 21.968,60 482,62 4.978,63 68.194,64 5,65 4.219,66 7.644,67 7.644,68 5.814,69 16.405,70 8.347}
{0 CHEMBL1288878,13 1,14 53.008,15 2,16 19.405,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.946,24 2.161,25 11.913,26 17.476,28 3.104,29 15.566,33 13.679,34 8.924,35 11.342,36 97.998,37 6.572,38 357,39 92,40 4.533,41 5.22,42 7.747,43 4.951,44 4.835,45 10.086,46 3.585,48 39.148,49 7.442,50 2.537,51 4,52 29.833,53 0.16,54 13.104,55 13.104,56 0.73,57 4.501,58 4.501,59 21.968,60 490,62 4.984,63 68.978,64 5,65 4.242,66 7.644,67 7.644,68 5.857,69 16.405,70 7.569}
{0 CHEMBL1288879,13 1,14 53.061,15 2,16 19.496,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.971,24 2.121,25 11.961,26 17.555,28 2.987,29 15.632,33 13.731,34 8.959,35 11.391,36 95.336,37 6.555,38 351,39 90,40 4.511,41 5.198,42 7.735,43 4.935,44 4.813,45 10.131,46 3.585,48 39.085,49 7.442,50 2.17,51 4,52 29.179,53 0.163,54 13.104,55 13.104,56 0.786,57 4.501,58 4.501,59 21.968,60 422,62 4.994,63 67.313,64 3,65 4.218,66 7.644,67 7.644,68 5.834,69 34.416,70 7.194}
{0 CHEMBL1288880,13 1,14 53.076,15 2,16 19.495,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.971,24 2.119,25 11.959,26 17.555,28 2.987,29 15.632,33 13.731,34 8.959,35 11.39,36 96.766,37 6.567,38 355,39 91,40 4.522,41 5.209,42 7.744,43 4.954,44 4.834,45 10.13,46 3.585,48 39.246,49 7.442,50 2.172,51 4,52 29.611,53 0.162,54 13.104,55 13.104,56 0.805,57 4.501,58 4.501,59 21.968,60 454,62 4.993,63 69.075,64 3,65 4.24,66 7.644,67 7.644,68 5.837,69 34.416,70 7.377}
{0 CHEMBL1288909,13 1,14 52.969,15 3,16 19.327,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.867,24 2.058,25 11.825,26 17.392,28 2.982,29 15.476,33 13.586,34 8.801,35 11.224,36 90.896,37 6.494,38 330,39 84,40 4.443,41 5.13,42 7.662,43 4.918,44 4.784,45 9.96,46 3.585,48 38.785,49 7.442,50 2.149,51 4,52 29.085,53 0.166,54 13.104,55 13.104,56 0.786,57 4.501,58 4.501,59 21.968,60 410,62 4.98,63 65.677,64 3,65 4.183,66 7.644,67 7.644,68 5.804,69 34.416,70 7.469}
{0 CHEMBL1288910,13 1,14 53.001,15 3,16 19.326,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.867,24 2.1,25 11.823,26 17.391,28 2.986,29 15.476,33 13.586,34 8.801,35 11.224,36 92.27,37 6.506,38 334,39 85,40 4.454,41 5.142,42 7.671,43 4.939,44 4.81,45 9.958,46 3.585,48 39.099,49 7.442,50 2.161,51 4,52 29.12,53 0.165,54 13.104,55 13.104,56 0.812,57 4.501,58 4.501,59 21.968,60 444,62 4.978,63 67.438,64 3,65 4.206,66 7.644,67 7.644,68 5.816,69 34.416,70 7.337}
{0 CHEMBL1288911,13 1,14 53.105,15 2,16 19.332,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.897,24 2.067,25 11.832,26 17.398,28 2.987,29 15.483,33 13.594,34 8.809,35 11.23,36 94.654,37 6.509,38 335,39 85,40 4.454,41 5.142,42 7.674,43 4.933,44 4.799,45 9.965,46 3.585,48 39.104,49 7.442,50 2.15,51 4,52 29.374,53 0.165,54 13.104,55 13.104,56 0.826,57 4.501,58 4.501,59 21.968,60 448,62 4.991,63 66.984,64 3,65 4.2,66 7.644,67 7.644,68 5.81,69 34.416,70 7.645}
{0 CHEMBL1288912,13 1,14 53.114,15 2,16 19.331,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.897,24 2.102,25 11.83,26 17.397,28 2.987,29 15.483,33 13.594,34 8.809,35 11.229,36 95.959,37 6.521,38 339,39 86,40 4.466,41 5.153,42 7.683,43 4.951,44 4.822,45 9.964,46 3.585,48 39.295,49 7.442,50 2.163,51 4,52 29.41,53 0.163,54 13.104,55 13.104,56 0.857,57 4.501,58 4.501,59 21.968,60 482,62 4.99,63 68.745,64 3,65 4.223,66 7.644,67 7.644,68 5.819,69 34.416,70 8.421}
{0 CHEMBL1288913,13 1,14 76.874,15 2,16 19.496,17 1,18 13.996,19 13.996,20 13.996,21 5,22 14.085,24 2.144,25 11.961,26 17.555,28 2.998,29 15.632,33 13.731,34 8.959,35 11.391,36 97.833,37 6.555,38 351,39 90,40 4.511,41 5.198,42 7.735,43 4.963,44 4.83,45 10.131,46 3.587,48 40.116,49 7.442,50 2.318,51 4,52 30.408,53 0.163,54 13.104,55 13.104,56 0.816,57 4.501,58 4.501,59 21.968,60 422,62 5.012,63 70.057,64 4,65 4.246,66 7.644,67 7.644,68 5.845,69 34.416,70 7.698}
{0 CHEMBL1288914,13 1,14 64.986,15 2,16 19.36,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.913,24 2.108,25 11.859,26 17.429,28 2.986,29 15.518,33 13.631,34 8.839,35 11.257,36 97.666,37 6.555,38 351,39 89,40 4.5,41 5.187,42 7.717,43 4.971,44 4.845,45 9.995,46 3.585,48 40.051,49 7.442,50 2.166,51 4,52 29.774,53 0.161,54 13.104,55 13.104,56 0.891,57 4.501,58 4.501,59 21.968,60 507,62 5.013,63 71.171,64 4,65 4.254,66 7.644,67 7.644,68 5.845,69 34.416,70 6.836}
{0 CHEMBL1288915,13 1,14 64.545,15 2,16 19.354,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.907,24 2.106,25 11.851,26 17.422,28 2.986,29 15.51,33 13.623,34 8.832,35 11.251,36 95.948,37 6.541,38 346,39 88,40 4.489,41 5.176,42 7.706,43 4.963,44 4.834,45 9.989,46 3.585,48 39.955,49 7.442,50 2.165,51 4,52 29.539,53 0.162,54 13.104,55 13.104,56 0.849,57 4.501,58 4.501,59 21.968,60 468,62 5,63 69.961,64 3,65 4.239,66 7.644,67 7.644,68 5.843,69 67.313,70 5.509}
{0 CHEMBL1288916,13 1,14 64.475,15 2,16 19.338,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.896,24 2.148,25 11.843,26 17.406,28 3.038,29 15.493,33 13.607,34 8.82,35 11.241,36 95.738,37 6.538,38 345,39 88,40 4.489,41 5.176,42 7.703,43 4.947,44 4.82,45 9.977,46 3.585,48 39.411,49 7.442,50 2.424,51 4,52 29.346,53 0.162,54 13.104,55 13.104,56 0.786,57 4.501,58 4.501,59 21.968,60 472,62 5.01,63 69.41,64 4,65 4.232,66 7.644,67 7.644,68 5.834,69 34.416,70 7.222}
{0 CHEMBL1288917,13 1,14 53.182,15 2,16 19.496,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.971,24 2.121,25 11.961,26 17.555,28 2.987,29 15.632,33 13.731,34 8.959,35 11.391,36 95.431,37 6.555,38 351,39 90,40 4.511,41 5.198,42 7.735,43 4.943,44 4.819,45 10.131,46 3.586,48 39.482,49 7.442,50 2.17,51 4,52 29.6,53 0.163,54 13.104,55 13.104,56 0.76,57 4.501,58 4.501,59 21.968,60 422,62 5.007,63 68.069,64 3,65 4.23,66 7.644,67 7.644,68 5.835,69 16.405,70 7.276}
{0 CHEMBL1288918,13 1,14 53.09,15 3,16 19.327,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.867,24 2.058,25 11.825,26 17.392,28 2.982,29 15.476,33 13.586,34 8.801,35 11.224,36 90.946,37 6.494,38 330,39 84,40 4.443,41 5.13,42 7.662,43 4.926,44 4.789,45 9.96,46 3.585,48 39.179,49 7.442,50 2.149,51 4,52 29.501,53 0.166,54 13.104,55 13.104,56 0.756,57 4.501,58 4.501,59 21.968,60 410,62 4.99,63 66.432,64 3,65 4.196,66 7.644,67 7.644,68 5.806,69 16.405,70 7.284}
{0 CHEMBL1288919,13 1,14 77.036,15 2,16 19.496,17 1,18 13.996,19 13.996,20 13.996,21 5,22 14.085,24 2.144,25 11.961,26 17.555,28 2.998,29 15.632,33 13.731,34 8.959,35 11.391,36 97.93,37 6.555,38 351,39 90,40 4.511,41 5.198,42 7.735,43 4.973,44 4.837,45 10.131,46 3.599,48 40.896,49 7.442,50 2.318,51 4,52 31.052,53 0.163,54 13.104,55 13.104,56 0.787,57 4.501,58 4.501,59 21.968,60 422,62 5.03,63 70.813,64 4,65 4.257,66 7.644,67 7.644,68 5.854,69 16.405,70 7.187}
{0 CHEMBL1288920,13 1,14 53.244,15 2,16 19.406,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.946,24 2.149,25 11.915,26 17.477,28 3.043,29 15.566,33 13.679,34 8.924,35 11.343,36 96.419,37 6.561,38 353,39 91,40 4.522,41 5.209,42 7.738,43 4.947,44 4.827,45 10.087,46 3.585,48 39.409,49 7.442,50 2.499,51 4,52 30.159,53 0.162,54 13.104,55 13.104,56 0.639,57 4.501,58 4.501,59 21.968,60 458,62 5.009,63 68.523,64 3,65 4.236,66 7.644,67 7.644,68 5.849,69 16.405,70 7.403}
{0 CHEMBL1288921,13 1,14 64.722,15 2,16 19.355,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.907,24 2.085,25 11.853,26 17.423,28 2.985,29 15.51,33 13.623,34 8.832,35 11.252,36 94.662,37 6.529,38 342,39 87,40 4.477,41 5.165,42 7.697,43 4.953,44 4.819,45 9.99,46 3.586,48 40.274,49 7.442,50 2.154,51 4,52 30.009,53 0.164,54 13.104,55 13.104,56 0.791,57 4.501,58 4.501,59 21.968,60 435,62 5.013,63 68.955,64 3,65 4.229,66 7.644,67 7.644,68 5.837,69 49.302,70 6.678}
{0 CHEMBL1288922,13 1,14 51.724,15 2,16 19.321,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.87,24 2.102,25 11.813,26 17.39,28 2.987,29 15.478,33 13.591,34 8.809,35 11.219,36 91.903,37 6.521,38 339,39 86,40 4.466,41 5.153,42 7.683,43 4.882,44 4.761,45 9.958,46 3.528,48 36.355,49 7.391,50 2.162,51 4,52 28.201,53 0.163,54 12.79,55 12.79,56 0.715,57 4.501,58 4.501,59 21.63,60 439,62 4.913,63 65.001,64 3,65 4.191,66 7.644,67 7.644,68 5.785,69 16.405,70 6.377}
{0 CHEMBL1288923,13 1,14 51.709,15 2,16 19.241,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.818,24 1.996,25 11.721,26 17.304,28 2.954,29 15.387,33 13.498,34 8.681,35 11.091,36 90.008,37 6.466,38 321,39 80,40 4.394,41 5.081,42 7.614,43 4.868,44 4.736,45 9.817,46 3.529,48 36.101,49 7.391,50 2.104,51 4,52 27.549,53 0.166,54 12.79,55 12.79,56 0.899,57 4.501,58 4.501,59 21.63,60 434,62 4.908,63 64.216,64 3,65 4.166,66 7.644,67 7.644,68 5.745,69 16.405,70 6.824}
{0 CHEMBL1288924,13 1,14 53.336,15 2,16 19.331,17 1,18 13.996,19 13.996,20 13.996,21 5,22 13.896,24 2.098,25 11.83,26 17.397,28 2.987,29 15.484,33 13.596,34 8.809,35 11.23,36 96.908,37 6.532,38 343,39 87,40 4.477,41 5.165,42 7.692,43 5.023,44 4.881,45 9.964,46 3.586,48 43.758,49 7.442,50 2.161,51 4,52 32.052,53 0.162,54 13.104,55 13.104,56 0.858,57 4.501,58 4.501,59 21.968,60 484,62 5.058,63 71.268,64 3,65 4.253,66 7.644,67 7.644,68 5.911,69 34.416,70 7.959}
{0 CHEMBL135432,13 4,14 13.416,16 18.124,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.794,24 1.415,25 10.844,26 16.301,28 2.426,29 14.494,33 12.707,34 7.708,35 10.16,36 60.197,37 6.094,38 221,39 54,40 4.007,41 4.691,42 7.197,43 4.515,44 4.336,45 8.868,46 3.4,48 27.761,49 6.499,50 1.5,51 5,52 18.51,53 0.19,54 10.178,55 10.178,56 1.53,57 4.14,58 4.14,59 17.644,60 166,62 4.625,63 49.188,64 4,65 3.879,66 6.62,67 6.62,68 5.427,70 7.921}
{0 CHEMBL136977,13 5,14 13.462,16 18.188,17 1,18 10.631,19 10.631,20 10.631,21 6,22 12.869,24 1.421,25 10.919,26 16.372,28 2.43,29 14.57,33 12.788,34 7.823,35 10.26,36 63.723,37 6.163,38 237,39 58,40 4.078,41 4.762,42 7.273,43 4.573,44 4.383,45 8.985,46 3.552,48 29.99,49 6.518,50 1.5,51 5,52 20.106,53 0.184,54 10.27,55 10.27,56 1.588,57 4.14,58 4.14,59 17.644,60 165,62 4.717,63 51.705,64 2,65 3.944,66 6.62,67 6.62,68 5.5,70 7.481}
{0 CHEMBL137038,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.529,16 18.266,17 2,18 11.107,19 11.107,20 11.107,21 5,22 12.839,23 4,24 1.431,25 10.971,26 16.428,27 2,28 2.437,29 14.606,30 2,31 1,33 12.806,34 7.83,35 10.265,36 62.891,37 6.146,38 233,39 57,40 4.06,41 4.745,42 7.252,43 4.646,44 4.473,45 8.974,46 3.392,48 31.84,49 6.5,50 1.5,51 5,52 21.045,53 0.187,54 10.18,55 10.18,56 0.988,57 4.179,58 4.179,59 18.137,60 186,61 1,62 4.752,63 52.165,64 3,65 3.933,66 6.774,67 6.774,68 5.577,69 42.683,70 7.481}
{0 CHEMBL137072,13 4,14 13.43,16 18.124,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.787,24 1.388,25 10.844,26 16.301,28 2.393,29 14.494,33 12.707,34 7.708,35 10.16,36 60.047,37 6.094,38 221,39 54,40 4.007,41 4.691,42 7.197,43 4.548,44 4.36,45 8.868,46 3.392,48 28.981,49 6.499,50 1.456,51 5,52 19.376,53 0.19,54 10.178,55 10.178,56 1.569,57 4.14,58 4.14,59 17.644,60 166,62 4.675,63 50.705,64 2,65 3.905,66 6.62,67 6.62,68 5.469,70 7.921}
{0 CHEMBL137154,13 4,14 13.428,16 18.124,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.794,24 1.415,25 10.844,26 16.301,28 2.426,29 14.494,33 12.707,34 7.708,35 10.16,36 60.197,37 6.094,38 221,39 54,40 4.007,41 4.691,42 7.197,43 4.538,44 4.352,45 8.868,46 3.403,48 28.497,49 6.499,50 1.5,51 5,52 19.403,53 0.19,54 10.178,55 10.178,56 1.571,57 4.14,58 4.14,59 17.644,60 166,62 4.654,63 50.7,64 1,65 3.909,66 6.62,67 6.62,68 5.431,70 7.377}
{0 CHEMBL137206,13 4,14 13.423,16 18.124,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.794,24 1.415,25 10.844,26 16.301,28 2.426,29 14.494,33 12.707,34 7.708,35 10.16,36 60.197,37 6.094,38 221,39 54,40 4.007,41 4.691,42 7.197,43 4.522,44 4.341,45 8.868,46 3.398,48 27.735,49 6.499,50 1.5,51 5,52 18.823,53 0.19,54 10.178,55 10.178,56 1.442,57 4.14,58 4.14,59 17.644,60 166,62 4.625,63 49.944,64 1,65 3.894,66 6.62,67 6.62,68 5.404,70 7.638}
{0 CHEMBL137272,13 4,14 13.436,16 18.617,17 1,18 11.66,19 11.66,20 11.66,21 5,22 13.129,24 1.5,25 11.196,26 16.746,28 2.5,29 14.891,33 13.056,34 8.152,35 10.606,36 66.799,37 6.213,38 249,39 62,40 4.143,41 4.828,42 7.344,43 4.599,44 4.472,45 9.341,46 3.409,48 28.876,49 6.62,50 1.5,51 5,52 20.843,53 0.184,54 10.631,55 10.631,56 0.902,57 4.174,58 4.174,59 18.673,60 198,62 4.682,63 51.518,64 2,65 3.947,66 7.111,67 7.111,68 5.537,70 7.555}
{0 CHEMBL137327,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 6,14 12.327,15 1,16 18.253,17 2,18 10.707,19 10.707,20 10.707,21 6,22 12.97,23 4,24 1.5,25 11.001,26 16.443,27 2,28 2.5,29 14.647,30 1,31 1,33 12.871,34 7.917,35 10.349,36 66.379,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.371,43 4.6,44 4.444,45 9.088,46 3.566,48 30.745,49 6.518,50 1.671,51 5,52 20.762,53 0.182,54 10.271,55 10.271,56 0.862,57 4.146,58 4.146,59 17.669,60 184,61 1,62 4.744,63 51.342,64 3,65 3.95,66 6.636,67 6.636,68 5.559,69 42.683,70 7.959}
{0 CHEMBL137419,13 4,14 13.422,16 18.124,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.794,24 1.415,25 10.844,26 16.301,28 2.426,29 14.494,33 12.707,34 7.708,35 10.16,36 60.197,37 6.094,38 221,39 54,40 4.007,41 4.691,42 7.197,43 4.527,44 4.344,45 8.868,46 3.402,48 28.129,49 6.499,50 1.5,51 5,52 18.959,53 0.19,54 10.178,55 10.178,56 1.548,57 4.14,58 4.14,59 17.644,60 166,62 4.639,63 49.944,64 2,65 3.894,66 6.62,67 6.62,68 5.429,70 7.959}
{0 CHEMBL137524,13 3,14 13.203,16 18.124,17 1,18 10.632,19 10.632,20 10.632,21 5,22 12.787,24 1.282,25 10.842,26 16.301,28 2.319,29 14.493,33 12.705,34 7.708,35 10.159,36 58.703,37 6.075,38 217,39 53,40 3.989,41 4.673,42 7.172,43 4.445,44 4.274,45 8.879,46 3.391,48 25.607,49 6.499,50 1.436,51 5,52 16.614,53 0.193,54 10.178,55 10.178,56 1.593,57 4.133,58 4.133,59 17.65,60 156,62 4.596,63 48.188,64 4,65 3.853,66 6.62,67 6.62,68 5.386,70 6.523}
{0 CHEMBL137650,13 4,14 13.424,16 18.124,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.794,24 1.415,25 10.844,26 16.301,28 2.426,29 14.494,33 12.707,34 7.708,35 10.16,36 60.197,37 6.094,38 221,39 54,40 4.007,41 4.691,42 7.197,43 4.506,44 4.33,45 8.868,46 3.396,48 27.082,49 6.499,50 1.5,51 5,52 18.196,53 0.19,54 10.178,55 10.178,56 1.407,57 4.14,58 4.14,59 17.644,60 166,62 4.62,63 49.944,64 1,65 3.894,66 6.62,67 6.62,68 5.404,70 7.18}
{0 CHEMBL137728,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.535,16 18.266,17 2,18 11.107,19 11.107,20 11.107,21 5,22 12.839,23 4,24 1.431,25 10.971,26 16.428,27 2,28 2.437,29 14.606,30 2,31 1,33 12.806,34 7.83,35 10.265,36 62.891,37 6.146,38 233,39 57,40 4.06,41 4.745,42 7.252,43 4.651,44 4.477,45 8.974,46 3.39,48 31.737,49 6.5,50 1.5,51 5,52 21.357,53 0.187,54 10.18,55 10.18,56 0.895,57 4.179,58 4.179,59 18.137,60 186,61 1,62 4.752,63 52.921,65 3.948,66 6.774,67 6.774,68 5.553,69 42.683,70 7.481}
{0 CHEMBL137856,13 1,14 24.977,16 18.781,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.308,24 1.04,25 11.299,26 16.865,28 2.132,29 14.969,33 13.097,34 8.236,35 10.657,36 62.546,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.261,43 4.378,44 4.207,45 9.388,46 3.195,48 23.985,49 6.794,50 1.387,51 4,52 17.273,53 0.199,54 11.022,55 11.022,56 1.057,57 4.41,58 4.41,59 20.557,60 170,62 4.527,63 47.682,64 1,65 3.837,66 7.472,67 7.472,68 5.306,70 8.056}
{0 CHEMBL137934,13 1,14 13.245,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.216,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.357,44 4.174,45 9.353,46 3.155,48 23.717,49 6.784,50 1.277,51 4,52 17.025,53 0.201,54 10.975,55 10.975,56 1.201,57 4.409,58 4.409,59 20.555,60 161,62 4.517,63 47.228,64 1,65 3.825,66 7.472,67 7.472,68 5.267,70 8.638}
{0 CHEMBL138028,13 1,14 13.012,16 18.688,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.138,24 1.027,25 11.193,26 16.77,28 2.13,29 14.87,33 12.996,34 8.139,35 10.562,36 58.502,37 6.043,38 210,39 52,40 3.97,41 4.654,42 7.183,43 4.316,44 4.134,45 9.284,46 3.163,48 22.382,49 6.574,50 1.156,51 4,52 16.329,53 0.202,54 10.254,55 10.254,56 1.136,57 4.409,58 4.409,59 20.544,60 152,62 4.452,63 45.466,64 1,65 3.791,66 7.472,67 7.472,68 5.197,70 7.585}
{0 CHEMBL138143,13 1,14 25.27,16 18.817,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.331,24 1,25 11.323,26 16.899,28 2,29 15,33 13.124,34 8.258,35 10.679,36 61.015,37 6.098,38 222,39 55,40 4.025,41 4.71,42 7.251,43 4.221,44 4.08,45 9.412,46 3.125,48 20.022,49 6.858,50 1.291,51 4,52 13.83,53 0.202,54 11.226,55 11.226,56 0.998,57 4.41,58 4.41,59 20.588,60 170,62 4.415,63 45.427,64 1,65 3.799,66 7.472,67 7.472,68 5.157,70 7.62}
{0 CHEMBL138198,13 1,14 25.279,16 18.817,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.331,24 1,25 11.323,26 16.899,28 2,29 15,33 13.124,34 8.258,35 10.679,36 60.988,37 6.098,38 222,39 55,40 4.025,41 4.71,42 7.251,43 4.253,44 4.093,45 9.412,46 3.126,48 20.565,49 6.858,50 1.291,51 4,52 15.108,53 0.202,54 11.226,55 11.226,56 1.032,57 4.41,58 4.41,59 20.588,60 170,62 4.432,63 45.921,64 1,65 3.803,66 7.472,67 7.472,68 5.153,70 7.721}
{0 CHEMBL138263,13 1,14 49.126,16 19.084,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.681,24 1.311,25 11.54,26 17.155,28 2.412,29 15.241,33 13.347,34 8.516,35 10.952,36 69.609,37 6.205,38 247,39 62,40 4.143,41 4.828,42 7.372,43 4.464,44 4.318,45 9.692,46 3.269,48 25.33,49 7.111,50 1.5,51 4,52 18.133,53 0.194,54 11.66,55 11.66,56 1.005,57 4.41,58 4.41,59 20.589,60 180,62 4.575,63 50.648,64 2,65 3.911,66 7.472,67 7.472,68 5.402,70 7.699}
{0 CHEMBL138274,13 1,14 25.334,16 18.945,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.464,24 1.313,25 11.468,26 17.035,28 2.414,29 15.142,33 13.269,34 8.46,35 10.876,36 67.926,37 6.213,38 249,39 63,40 4.159,41 4.844,42 7.377,43 4.363,44 4.261,45 9.624,46 3.192,48 23.451,49 6.858,50 1.5,51 4,52 15.494,53 0.191,54 11.226,55 11.226,56 0.698,57 4.41,58 4.41,59 20.588,60 204,62 4.521,63 48.358,64 1,65 3.881,66 7.472,67 7.472,68 5.373,70 8.357}
{0 CHEMBL138282,13 3,14 13.413,16 18.234,17 1,18 10.734,19 10.734,20 10.734,21 5,22 12.986,24 1.5,25 10.935,26 16.405,28 2.5,29 14.59,33 12.795,34 7.801,35 10.248,36 62.24,37 6.129,38 229,39 56,40 4.043,41 4.727,42 7.238,43 4.495,44 4.33,45 8.965,46 3.392,48 26.389,49 6.499,50 1.5,51 5,52 18.494,53 0.189,54 10.178,55 10.178,56 1.227,57 4.155,58 4.155,59 17.943,60 176,62 4.632,63 49.279,64 2,65 3.89,66 6.666,67 6.666,68 5.352,70 6.523}
{0 CHEMBL138285,13 1,14 13.233,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.216,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.366,44 4.18,45 9.353,46 3.168,48 24.144,49 6.784,50 1.277,51 4,52 17.454,53 0.201,54 10.975,55 10.975,56 1.091,57 4.409,58 4.409,59 20.555,60 161,62 4.515,63 47.228,64 1,65 3.825,66 7.472,67 7.472,68 5.27,70 8.959}
{0 CHEMBL138437,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.523,15 1,16 18.292,17 2,18 11.112,19 11.112,20 11.112,21 5,22 12.911,23 4,24 1.431,25 11.005,26 16.459,27 2,28 2.437,29 14.641,30 1,31 1,33 12.846,34 7.872,35 10.302,36 64.631,37 6.176,38 240,39 59,40 4.094,41 4.779,42 7.287,43 4.644,44 4.491,45 9.021,46 3.392,48 31.455,49 6.501,50 1.5,51 5,52 21.121,53 0.185,54 10.181,55 10.181,56 0.826,57 4.182,58 4.182,59 18.151,60 196,61 1,62 4.75,63 52.103,64 3,65 3.941,66 6.774,67 6.774,68 5.586,69 42.683,70 7.481}
{0 CHEMBL138502,13 2,14 13.225,16 19.073,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.382,24 1.272,25 11.523,26 17.144,28 2.386,29 15.228,33 13.332,34 8.501,35 10.94,36 60.867,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.33,43 4.273,44 4.148,45 9.684,46 3.131,48 21.288,49 7.111,50 1.49,51 4,52 15.043,53 0.202,54 11.659,55 11.659,56 0.811,57 4.416,58 4.416,59 20.69,60 170,62 4.419,63 45.995,64 1,65 3.823,66 7.475,67 7.475,68 5.252,70 8.281}
{0 CHEMBL138640,13 1,14 24.639,16 18.781,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.308,24 1.04,25 11.299,26 16.865,28 2.132,29 14.969,33 13.097,34 8.236,35 10.657,36 62.985,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.261,43 4.313,44 4.163,45 9.388,46 3.195,48 20.568,49 6.794,50 1.387,51 4,52 15.979,53 0.199,54 11.022,55 11.022,56 0.752,57 4.409,58 4.409,59 20.557,60 170,62 4.45,63 45.875,64 1,65 3.806,66 7.472,67 7.472,68 5.169,70 8.921}
{0 CHEMBL138645,13 4,14 13.057,16 18.127,17 1,18 10.633,19 10.633,20 10.633,21 5,22 12.792,24 1.183,25 10.846,26 16.304,28 2.265,29 14.494,33 12.705,34 7.708,35 10.174,36 56.869,37 6.057,38 213,39 52,40 3.97,41 4.654,42 7.203,43 4.425,44 4.241,45 8.885,46 3.391,48 25.522,49 6.499,50 1.431,51 5,52 17.08,53 0.195,54 10.178,55 10.178,56 1.589,57 4.144,58 4.144,59 17.634,60 146,62 4.572,63 47.182,64 2,65 3.841,66 6.621,67 6.621,68 5.348,70 6.523}
{0 CHEMBL138655,13 1,14 48.992,16 19.084,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.68,24 1.291,25 11.539,26 17.155,28 2.388,29 15.24,33 13.345,34 8.516,35 10.951,36 67.771,37 6.188,38 243,39 61,40 4.127,41 4.812,42 7.359,43 4.346,44 4.222,45 9.692,46 3.19,48 21.547,49 7.111,50 1.5,51 4,52 15.672,53 0.196,54 11.66,55 11.66,56 0.959,57 4.41,58 4.41,59 20.589,60 178,62 4.478,63 48.887,64 2,65 3.88,66 7.472,67 7.472,68 5.268,70 7.523}
{0 CHEMBL138879,9 1,13 1,14 13.184,16 18.781,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.268,24 1.04,25 11.299,26 16.865,28 2.132,29 14.969,33 13.097,34 8.236,35 10.657,36 62.155,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.261,43 4.387,44 4.213,45 9.388,46 3.213,48 23.739,49 6.794,50 1.372,51 4,52 17.212,53 0.199,54 11.022,55 11.022,56 0.937,57 4.41,58 4.41,59 20.557,60 170,62 4.498,63 47.682,64 1,65 3.839,66 7.472,67 7.472,68 5.258,69 42.683,70 7.367}
{0 CHEMBL138975,13 2,14 13.296,16 18.769,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.234,24 1.229,25 11.28,26 16.853,28 2.337,29 14.955,33 13.084,34 8.227,35 10.641,36 62.276,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.256,43 4.499,44 4.293,45 9.373,46 3.188,48 28.561,49 6.784,50 1.401,51 4,52 20.544,53 0.199,54 10.975,55 10.975,56 1.2,57 4.41,58 4.41,59 20.555,60 162,62 4.63,63 49.745,64 1,65 3.873,66 7.472,67 7.472,68 5.422,70 8.398}
{0 CHEMBL139029,13 1,14 13.168,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.473,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.236,44 4.068,45 9.353,46 3.082,48 20.356,49 6.784,50 1.258,51 4,52 14.906,53 0.203,54 10.975,55 10.975,56 1.036,57 4.409,58 4.409,59 20.555,60 160,62 4.413,63 45.466,64 1,65 3.794,66 7.472,67 7.472,68 5.116,69 32.897,70 8.347}
{0 CHEMBL139246,13 2,14 13.49,16 18.864,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.35,24 1.347,25 11.394,26 16.954,28 2.427,29 15.063,33 13.195,34 8.345,35 10.762,36 67.094,37 6.205,38 247,39 61,40 4.127,41 4.812,42 7.353,43 4.452,44 4.286,45 9.499,46 3.278,48 24.777,49 6.803,50 1.5,51 4,52 17.91,53 0.19,54 11.068,55 11.068,56 1.152,57 4.41,58 4.41,59 20.562,60 190,62 4.584,63 50.995,64 2,65 3.915,66 7.472,67 7.472,68 5.327,70 7.602}
{0 CHEMBL139253,9 1,13 1,14 13.073,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.267,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.33,44 4.155,45 9.353,46 3.167,48 22.892,49 6.784,50 1.277,51 4,52 16.608,53 0.201,54 10.975,55 10.975,56 0.953,57 4.409,58 4.409,59 20.555,60 161,62 4.47,63 45.921,64 1,65 3.805,66 7.472,67 7.472,68 5.226,69 42.683,70 7.523}
{0 CHEMBL139459,9 1,13 1,14 13.088,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.551,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.218,44 4.058,45 9.353,46 3.082,48 19.778,49 6.784,50 1.258,51 4,52 14.61,53 0.203,54 10.975,55 10.975,56 0.957,57 4.409,58 4.409,59 20.555,60 160,62 4.391,63 44.915,64 1,65 3.788,66 7.472,67 7.472,68 5.091,69 42.683,70 7.745}
{0 CHEMBL139559,13 1,14 13.208,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.504,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.236,44 4.068,45 9.353,46 3.088,48 20.356,49 6.784,50 1.258,51 4,52 14.906,53 0.203,54 10.975,55 10.975,56 1.023,57 4.409,58 4.409,59 20.555,60 160,62 4.413,63 45.466,64 1,65 3.791,66 7.472,67 7.472,68 5.116,70 8.959}
{0 CHEMBL139607,13 1,14 25.262,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.266,24 1.038,25 11.269,26 16.843,28 2.132,29 14.942,33 13.066,34 8.207,35 10.627,36 60.974,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.323,44 4.151,45 9.353,46 3.177,48 22.582,49 6.784,50 1.301,51 4,52 16.251,53 0.201,54 10.975,55 10.975,56 1.038,57 4.409,58 4.409,59 20.555,60 161,62 4.473,63 45.921,64 1,65 3.803,66 7.472,67 7.472,68 5.229,70 7.796}
{0 CHEMBL139701,13 2,14 13.474,16 18.829,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.312,24 1.21,25 11.348,26 16.917,28 2.306,29 15.025,33 13.156,34 8.289,35 10.705,36 65.344,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.313,43 4.461,44 4.297,45 9.442,46 3.277,48 24.867,49 6.8,50 1.494,51 4,52 17.802,53 0.195,54 11.052,55 11.052,56 1.17,57 4.41,58 4.41,59 20.56,60 190,62 4.609,63 51.756,64 2,65 3.905,66 7.472,67 7.472,68 5.349,70 7.367}
{0 CHEMBL140003,13 1,14 13.351,16 18.788,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.318,24 1.5,25 11.311,26 16.876,28 2.5,29 14.984,33 13.119,34 8.25,35 10.673,36 67.783,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.343,43 4.604,44 4.438,45 9.394,46 3.196,48 28.218,49 6.784,50 1.5,51 4,52 20.902,53 0.187,54 10.975,55 10.975,56 1.327,57 4.41,58 4.41,59 20.555,60 184,62 4.665,63 51.984,64 1,65 3.943,66 7.472,67 7.472,68 5.384,70 7.523}
{0 CHEMBL140183,13 3,14 12.91,15 1,16 18.257,17 2,18 10.981,19 10.981,20 10.981,21 4,22 12.966,24 1,25 10.909,26 16.422,28 2,29 14.6,33 12.797,34 7.808,35 10.224,36 54.592,37 6.004,38 202,39 50,40 3.932,41 4.615,42 7.143,43 4.185,44 3.912,45 8.978,46 3.108,48 18.373,49 6.591,50 1.161,51 4,52 17.667,53 0.209,54 10.335,55 10.335,56 0.914,57 4.113,58 4.113,59 18.137,60 154,62 4.359,63 45.148,64 1,65 3.744,66 6.786,67 6.786,68 4.899,70 5.886}
{0 CHEMBL140201,13 1,14 24.819,16 18.8,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.321,24 1.372,25 11.33,26 16.888,28 2.442,29 14.997,33 13.132,34 8.269,35 10.686,36 66.979,37 6.176,38 240,39 60,40 4.111,41 4.796,42 7.322,43 4.456,44 4.29,45 9.419,46 3.278,48 26.264,49 6.795,50 1.5,51 4,52 18.431,53 0.192,54 11.034,55 11.034,56 0.858,57 4.41,58 4.41,59 20.558,60 213,62 4.598,63 50.694,64 2,65 3.893,66 7.472,67 7.472,68 5.393,69 18.011,70 7.222}
{0 CHEMBL140283,13 1,14 24.948,16 18.746,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.263,24 1.036,25 11.25,26 16.831,28 2.131,29 14.934,33 13.061,34 8.194,35 10.618,36 61.122,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.331,44 4.157,45 9.347,46 3.186,48 22.593,49 6.667,50 1.271,51 4,52 16.529,53 0.201,54 10.544,55 10.544,56 1.13,57 4.409,58 4.409,59 20.586,60 161,62 4.47,63 45.921,64 1,65 3.803,66 7.472,67 7.472,68 5.232,70 7.523}
{0 CHEMBL140390,13 1,14 13.215,16 18.763,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.219,24 1.208,25 11.27,26 16.843,28 2.301,29 14.943,33 13.067,34 8.207,35 10.629,36 61.138,37 6.098,38 222,39 55,40 4.025,41 4.71,42 7.239,43 4.455,44 4.275,45 9.353,46 3.165,48 25.538,49 6.784,50 1.33,51 4,52 18.377,53 0.198,54 10.975,55 10.975,56 1.143,57 4.409,58 4.409,59 20.555,60 172,62 4.544,63 48.234,64 2,65 3.842,66 7.472,67 7.472,68 5.322,70 8.699}
{0 CHEMBL140418,13 1,14 13.386,16 18.79,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.278,24 1.04,25 11.311,26 16.875,28 2.132,29 14.98,33 13.11,34 8.25,35 10.667,36 66.179,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.279,43 4.441,44 4.254,45 9.397,46 3.195,48 24.592,49 6.795,50 1.387,51 4,52 18.97,53 0.196,54 11.032,55 11.032,56 1.105,57 4.41,58 4.41,59 20.558,60 196,62 4.569,63 49.881,64 2,65 3.871,66 7.472,67 7.472,68 5.298,70 8.886}
{0 CHEMBL140484,13 1,14 13.711,16 18.856,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.397,24 1.5,25 11.391,26 16.947,28 2.5,29 15.058,33 13.193,34 8.318,35 10.742,36 71.052,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.394,43 4.544,44 4.377,45 9.466,46 3.28,48 28.322,49 6.802,50 1.576,51 4,52 20.54,53 0.183,54 11.065,55 11.065,56 1.119,57 4.41,58 4.41,59 20.561,60 230,62 4.703,63 54.751,64 1,65 3.987,66 7.472,67 7.472,68 5.45,70 10}
{0 CHEMBL140490,13 2,14 13.243,16 19.087,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.425,24 1.369,25 11.546,26 17.16,28 2.434,29 15.248,33 13.356,34 8.523,35 10.962,36 62.778,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.362,43 4.295,44 4.178,45 9.709,46 3.135,48 21.161,49 7.111,50 1.499,51 4,52 14.805,53 0.2,54 11.659,55 11.659,56 0.741,57 4.416,58 4.416,59 20.69,60 180,62 4.405,63 46.245,64 2,65 3.826,66 7.475,67 7.475,68 5.259,69 32.897,70 7.42}
{0 CHEMBL140552,13 1,14 13.273,16 19.057,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.451,24 1.326,25 11.522,26 17.129,28 2.415,29 15.216,33 13.324,34 8.499,35 10.935,36 66.614,37 6.201,38 246,39 62,40 4.143,41 4.828,42 7.368,43 4.398,44 4.256,45 9.674,46 3.224,48 23.817,49 7.133,50 1.5,51 4,52 17.544,53 0.194,54 11.805,55 11.805,56 0.644,57 4.41,58 4.41,59 20.584,60 200,62 4.515,63 48.046,64 2,65 3.866,66 7.472,67 7.472,68 5.295,70 8.495}
{0 CHEMBL140706,13 2,14 13.331,16 19.093,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.434,24 1.384,25 11.556,26 17.168,28 2.439,29 15.257,33 13.366,34 8.534,35 10.97,36 64.089,37 6.201,38 246,39 62,40 4.143,41 4.828,42 7.378,43 4.31,44 4.208,45 9.716,46 3.142,48 21.147,49 7.111,50 1.5,51 4,52 15.128,53 0.197,54 11.659,55 11.659,56 0.762,57 4.416,58 4.416,59 20.69,60 206,62 4.449,63 47.455,64 4,65 3.849,66 7.475,67 7.475,68 5.291,70 7.959}
{0 CHEMBL140827,13 2,14 13.056,16 19.073,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.382,24 1.272,25 11.523,26 17.144,28 2.386,29 15.228,33 13.332,34 8.501,35 10.94,36 61.558,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.33,43 4.201,44 4.101,45 9.684,46 3.129,48 17.844,49 7.111,50 1.49,51 4,52 13.799,53 0.202,54 11.659,55 11.659,56 0.683,57 4.416,58 4.416,59 20.69,60 170,62 4.333,63 44.188,64 1,65 3.792,66 7.475,67 7.475,68 5.106,70 9.155}
{0 CHEMBL140887,13 1,14 12.791,16 18.62,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.055,24 1.017,25 11.123,26 16.699,28 2.129,29 14.799,33 12.925,34 8.074,35 10.498,36 56.838,37 6.004,38 202,39 50,40 3.932,41 4.615,42 7.14,43 4.263,44 4.086,45 9.214,46 3.163,48 20.564,49 6.5,50 1.125,51 4,52 15.175,53 0.204,54 10.18,55 10.18,56 1.158,57 4.408,58 4.408,59 20.529,60 155,62 4.385,63 43.705,64 1,65 3.756,66 7.472,67 7.472,68 5.119,70 7.523}
{0 CHEMBL140912,13 2,14 13.216,16 18.769,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.234,24 1.229,25 11.28,26 16.853,28 2.337,29 14.955,33 13.084,34 8.227,35 10.641,36 62.276,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.256,43 4.464,44 4.266,45 9.373,46 3.16,48 27.191,49 6.784,50 1.401,51 4,52 19.401,53 0.199,54 10.975,55 10.975,56 1.036,57 4.409,58 4.409,59 20.555,60 162,62 4.585,63 48.234,64 2,65 3.842,66 7.472,67 7.472,68 5.384,70 8.481}
{0 CHEMBL140922,13 1,14 24.377,16 18.638,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.16,24 1.019,25 11.152,26 16.723,28 2.129,29 14.828,33 12.96,34 8.107,35 10.528,36 58.97,37 6.038,38 209,39 52,40 3.97,41 4.654,42 7.179,43 4.279,44 4.11,45 9.251,46 3.186,48 20.757,49 6.5,50 1.133,51 4,52 15.394,53 0.202,54 10.18,55 10.18,56 1.037,57 4.408,58 4.408,59 20.53,60 152,62 4.404,63 44.16,64 1,65 3.769,66 7.472,67 7.472,68 5.156,70 7.523}
{0 CHEMBL141201,13 1,14 13.185,16 18.882,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.351,24 1.261,25 11.396,26 16.97,28 2.372,29 15.075,33 13.202,34 8.407,35 10.815,36 64.693,37 6.159,38 236,39 60,40 4.111,41 4.796,42 7.324,43 4.331,44 4.26,45 9.563,46 3.156,48 20.121,49 6.784,50 1.5,51 4,52 17.361,53 0.195,54 10.975,55 10.975,56 0.475,57 4.409,58 4.409,59 20.555,60 172,62 4.48,63 46.285,64 2,65 3.834,66 7.472,67 7.472,68 5.323,70 7.854}
{0 CHEMBL141202,13 1,14 13.168,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.504,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.214,44 4.052,45 9.353,46 3.057,48 19.633,49 6.784,50 1.258,51 4,52 14.345,53 0.203,54 10.975,55 10.975,56 0.95,57 4.409,58 4.409,59 20.555,60 160,62 4.384,63 44.711,64 2,65 3.774,66 7.472,67 7.472,68 5.091,70 8.328}
{0 CHEMBL141301,13 1,14 25.271,16 19.084,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.503,24 1.291,25 11.539,26 17.155,28 2.388,29 15.24,33 13.345,34 8.516,35 10.951,36 65.149,37 6.188,38 243,39 61,40 4.127,41 4.812,42 7.359,43 4.244,44 4.167,45 9.692,46 3.14,48 19.941,49 7.111,50 1.5,51 4,52 13.909,53 0.196,54 11.66,55 11.66,56 0.864,57 4.41,58 4.41,59 20.589,60 178,62 4.426,63 46.143,64 1,65 3.839,66 7.472,67 7.472,68 5.249,70 8.276}
{0 CHEMBL141345,13 1,14 25.286,15 1,16 18.817,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.333,24 1.038,25 11.324,26 16.9,28 2.132,29 15.001,33 13.126,34 8.258,35 10.681,36 62.757,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.265,43 4.297,44 4.162,45 9.412,46 3.187,48 22.552,49 6.858,50 1.313,51 4,52 15.236,53 0.199,54 11.226,55 11.226,56 0.957,57 4.41,58 4.41,59 20.588,60 170,62 4.488,63 46.268,64 1,65 3.823,66 7.472,67 7.472,68 5.311,70 7.523}
{0 CHEMBL141683,13 1,14 13.264,16 18.781,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.268,24 1.04,25 11.299,26 16.865,28 2.132,29 14.969,33 13.097,34 8.236,35 10.657,36 62.137,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.261,43 4.377,44 4.204,45 9.388,46 3.158,48 23.53,49 6.794,50 1.372,51 4,52 16.683,53 0.199,54 11.022,55 11.022,56 0.99,57 4.41,58 4.41,59 20.557,60 170,62 4.504,63 47.478,64 2,65 3.828,66 7.472,67 7.472,68 5.274,69 32.897,70 8.244}
{0 CHEMBL141699,13 2,14 24.939,16 19.087,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.46,24 1.383,25 11.546,26 17.16,28 2.442,29 15.248,33 13.356,34 8.523,35 10.962,36 63.141,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.362,43 4.295,44 4.182,45 9.709,46 3.172,48 21.563,49 7.111,50 1.5,51 4,52 15.264,53 0.2,54 11.659,55 11.659,56 0.776,57 4.416,58 4.416,59 20.69,60 180,62 4.43,63 46.449,64 1,65 3.835,66 7.475,67 7.475,68 5.291,70 7.745}
{0 CHEMBL141802,13 1,14 25.083,16 18.777,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.272,24 1.266,25 11.293,26 16.863,28 2.375,29 14.968,33 13.1,34 8.236,35 10.653,36 66.64,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.302,43 4.476,44 4.356,45 9.382,46 3.202,48 23.995,49 6.784,50 1.5,51 4,52 18.091,53 0.191,54 10.975,55 10.975,56 0.904,57 4.41,58 4.41,59 20.555,60 219,62 4.576,63 51.654,64 2,65 3.917,66 7.472,67 7.472,68 5.349,70 7.481}
{0 CHEMBL142021,13 1,14 13.193,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.216,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.346,44 4.165,45 9.353,46 3.149,48 23.441,49 6.784,50 1.277,51 4,52 16.889,53 0.201,54 10.975,55 10.975,56 1.014,57 4.409,58 4.409,59 20.555,60 161,62 4.49,63 46.472,64 2,65 3.808,66 7.472,67 7.472,68 5.248,70 8.658}
{0 CHEMBL142022,13 1,14 13.348,16 18.662,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.2,24 1,25 11.185,26 16.745,28 2.139,29 14.85,33 12.982,34 8.129,35 10.557,36 57.251,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.22,44 4.029,45 9.271,46 3.184,48 20.029,49 6.744,50 1.447,51 4,52 15.155,53 0.199,54 10.953,55 10.953,56 1.155,57 4.408,58 4.408,59 20.613,60 180,62 4.311,63 45.001,64 1,65 3.812,66 7.472,67 7.472,68 5.009,70 6.229}
{0 CHEMBL157491,13 4,14 34.92,16 18.773,17 1,18 13.142,19 13.142,20 13.142,21 7,22 13.276,24 1.549,25 11.408,26 16.886,28 2.551,29 15.017,33 13.172,34 8.329,35 10.766,36 75.781,37 6.315,38 276,39 68,40 4.234,41 4.92,42 7.441,43 4.733,44 4.562,45 9.478,46 3.43,48 34.101,49 6.855,50 1.665,51 7,52 23.162,53 0.175,54 11.432,55 11.432,56 1.175,57 4.457,58 4.457,59 20.525,60 275,62 4.75,63 55.523,64 4,65 4.023,66 7.309,67 7.309,68 5.609,70 9.886}
{0 CHEMBL157983,13 4,14 34.971,16 18.763,17 1,18 13.111,19 13.111,20 13.111,21 7,22 13.275,24 1.572,25 11.398,26 16.879,28 2.572,29 15.012,33 13.17,34 8.323,35 10.761,36 75.905,37 6.315,38 276,39 68,40 4.234,41 4.92,42 7.441,43 4.758,44 4.594,45 9.474,46 3.429,48 34.344,49 6.788,50 1.661,51 7,52 23.473,53 0.175,54 11.201,55 11.201,56 1.173,57 4.45,58 4.45,59 20.594,60 275,62 4.769,63 55.523,64 4,65 4.023,66 7.302,67 7.302,68 5.609,70 7.854}
{0 CHEMBL158438,13 5,14 12.95,16 18.32,17 1,18 11.586,19 11.586,20 11.586,21 7,22 12.999,24 1.5,25 11.038,26 16.49,28 2.5,29 14.676,33 12.884,34 7.901,35 10.369,36 69.543,37 6.232,38 254,39 62,40 4.143,41 4.828,42 7.338,43 4.667,44 4.497,45 9.075,46 3.352,48 31.263,49 6.441,50 1.5,51 7,52 21.742,53 0.179,54 9.883,55 9.883,56 1.396,57 4.272,58 4.272,59 18.972,60 240,62 4.695,63 52.847,64 3,65 3.975,66 6.886,67 6.886,68 5.503,70 7.337}
{0 CHEMBL158754,13 5,14 34.975,16 18.416,17 1,18 11.586,19 11.586,20 11.586,21 7,22 13.203,24 1.663,25 11.13,26 16.591,28 2.7,29 14.781,33 12.992,34 8.011,35 10.465,36 77.123,37 6.319,38 277,39 68,40 4.234,41 4.92,42 7.428,43 4.712,44 4.555,45 9.186,46 3.436,48 32.931,49 6.447,50 1.782,51 7,52 22.781,53 0.173,54 9.928,55 9.928,56 1.192,57 4.272,58 4.272,59 18.972,60 288,62 4.746,63 55,64 4,65 4.023,66 6.886,67 6.886,68 5.563,70 8.222}
{0 CHEMBL159018,13 4,16 18.563,17 1,18 13.142,19 13.142,20 13.142,21 7,22 12.941,24 1.432,25 11.206,26 16.662,28 2.438,29 14.782,33 12.93,34 8.115,35 10.575,36 61.177,37 6.125,38 228,39 56,40 4.043,41 4.727,42 7.245,43 4.585,44 4.376,45 9.261,46 3.328,48 30.207,49 6.855,50 1.5,51 3,52 20.814,53 0.188,54 11.432,55 11.432,56 1.259,57 4.457,58 4.457,59 20.525,60 208,62 4.622,63 50.455,65 3.925,66 7.309,67 7.309,68 5.446,70 8.097}
{0 CHEMBL159097,13 5,16 18.197,17 1,18 11.839,19 11.839,20 11.839,21 7,22 12.861,24 1.454,25 10.922,26 16.358,28 2.462,29 14.537,33 12.738,34 7.761,35 10.247,36 58.781,37 6.08,38 218,39 53,40 3.989,41 4.673,42 7.189,43 4.363,44 4.185,45 8.938,46 3.244,48 22.885,49 6.196,50 1.5,51 3,52 16.174,53 0.193,54 9.254,55 9.254,56 1.153,57 4.29,58 4.29,59 19.072,60 164,62 4.423,63 44.648,65 3.829,66 6.958,67 6.958,68 5.142,70 7.569}
{0 CHEMBL161093,13 5,16 18.119,17 1,18 11.839,19 11.839,20 11.839,21 7,22 12.84,24 1.5,25 10.87,26 16.29,28 2.5,29 14.482,33 12.699,34 7.714,35 10.206,36 62.55,37 6.129,38 229,39 56,40 4.043,41 4.727,42 7.229,43 4.545,44 4.355,45 8.889,46 3.346,48 28.147,49 6.196,50 1.5,51 3,52 19.745,53 0.186,54 9.253,55 9.253,56 1.131,57 4.29,58 4.29,59 19.072,60 220,62 4.585,63 49.932,65 3.924,66 6.958,67 6.958,68 5.345,70 8.301}
{0 CHEMBL161480,13 4,14 12.95,16 18.696,17 1,18 13.111,19 13.111,20 13.111,21 7,22 13.087,24 1.5,25 11.329,26 16.804,28 2.5,29 14.929,33 13.08,34 8.244,35 10.69,36 68.256,37 6.229,38 253,39 62,40 4.143,41 4.828,42 7.352,43 4.716,44 4.538,45 9.393,46 3.344,48 32.765,49 6.788,50 1.5,51 7,52 22.493,53 0.181,54 11.201,55 11.201,56 1.394,57 4.45,58 4.45,59 20.594,60 228,62 4.719,63 53.37,64 3,65 3.976,66 7.302,67 7.302,68 5.552,70 7.066}
{0 CHEMBL161587,13 1,14 13.168,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.504,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.214,44 4.052,45 9.353,46 3.057,48 19.633,49 6.784,50 1.258,51 4,52 14.345,53 0.203,54 10.975,55 10.975,56 0.95,57 4.409,58 4.409,59 20.555,60 160,62 4.384,63 44.711,64 2,65 3.774,66 7.472,67 7.472,68 5.091,70 8.328}
{0 CHEMBL161594,13 5,16 18.178,17 1,18 11.586,19 11.586,20 11.586,21 7,22 12.859,24 1.455,25 10.905,26 16.346,28 2.463,29 14.529,33 12.735,34 7.751,35 10.238,36 58.743,37 6.08,38 218,39 53,40 3.989,41 4.673,42 7.189,43 4.384,44 4.203,45 8.933,46 3.2,48 24.074,49 6.221,50 1.5,51 3,52 16.907,53 0.193,54 9.324,55 9.324,56 1.148,57 4.272,58 4.272,59 18.972,60 163,62 4.462,63 44.648,65 3.829,66 6.886,67 6.886,68 5.199,70 7.523}
{0 CHEMBL161664,13 1,14 24.977,16 18.781,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.308,24 1.04,25 11.299,26 16.865,28 2.132,29 14.969,33 13.097,34 8.236,35 10.657,36 62.546,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.261,43 4.378,44 4.207,45 9.388,46 3.195,48 23.985,49 6.794,50 1.387,51 4,52 17.273,53 0.199,54 11.022,55 11.022,56 1.057,57 4.41,58 4.41,59 20.557,60 170,62 4.527,63 47.682,64 1,65 3.837,66 7.472,67 7.472,68 5.306,70 8.056}
{0 CHEMBL1618631,13 1,16 16.821,18 9.179,19 9.179,20 9.179,21 2,22 12.237,24 -1,25 9.671,26 15.083,28 0.5,29 13.363,33 11.664,34 6.653,35 9.059,36 30.955,37 5.361,38 106,39 27,40 3.332,41 4.007,42 6.457,43 3.614,44 3.346,45 7.781,46 2.747,48 11.312,49 5.34,50 -0.842,52 9.141,53 0.269,54 6.966,55 6.966,56 1.464,57 3.862,58 3.862,59 15.481,60 60,62 3.757,63 27.427,65 3.275,66 6.173,67 6.173,68 4.357,69 18.011,70 5}
{0 CHEMBL1621896,13 1,14 12.795,16 17.518,17 1,18 9.74,19 9.74,20 9.74,21 3,22 12.437,24 -0.371,25 10.271,26 15.729,28 0.909,29 13.955,33 12.198,34 7.191,35 9.614,36 39.408,37 5.645,38 141,39 35,40 3.584,41 4.263,42 6.76,43 3.845,44 3.612,45 8.346,46 2.982,48 15.502,49 6.189,52 11.481,53 0.24,54 9.236,55 9.236,56 1.353,57 3.977,58 3.977,59 16.548,60 78,62 4.054,63 33.171,64 1,65 3.469,66 6.403,67 6.403,68 4.807,70 4.31}
{0 CHEMBL1623307,11 1,16 17.646,18 10.772,19 10.772,20 10.772,21 2,22 12.567,24 -0.841,25 10.292,26 15.813,28 0.678,29 13.995,33 12.197,34 7.445,35 9.818,36 34.5,37 5.485,38 120,39 31,40 3.466,41 4.143,42 6.619,43 3.796,44 3.552,45 8.585,46 2.747,48 13.186,49 6.167,50 -0.722,52 11.023,53 0.26,54 9.161,55 9.161,56 1.45,57 4.149,58 4.149,59 17.094,60 72,62 3.903,63 29.642,65 3.354,66 6.692,67 6.692,68 4.558,69 60.694,70 4.561}
{0 CHEMBL1628706,11 2,13 3,14 25.034,15 1,16 18.05,18 9.97,19 9.97,20 9.97,21 4,22 13.109,24 1.097,25 10.765,26 16.257,28 2.169,29 14.474,33 12.705,34 7.842,35 10.235,36 57.272,37 5.999,38 201,39 52,40 3.97,41 4.654,42 7.141,43 4.354,44 4.284,45 9.021,46 3.286,48 20.414,49 6.273,50 1.507,52 14.692,53 0.206,54 9.488,55 9.488,56 0.925,57 4.068,58 4.068,59 16.519,60 160,61 1,62 4.366,63 42.438,65 3.753,66 6.401,67 6.401,68 5.266,69 136.275,70 7.18}
{0 CHEMBL162880,13 1,14 24.857,16 18.781,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.308,24 1.04,25 11.299,26 16.865,28 2.132,29 14.969,33 13.097,34 8.236,35 10.657,36 62.893,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.261,43 4.334,44 4.174,45 9.388,46 3.195,48 20.775,49 6.794,50 1.387,51 4,52 16.778,53 0.199,54 11.022,55 11.022,56 0.844,57 4.409,58 4.409,59 20.557,60 170,62 4.479,63 46.864,64 1,65 3.815,66 7.472,67 7.472,68 5.166,70 9.155}
{0 CHEMBL162946,13 1,14 13.245,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.216,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.357,44 4.174,45 9.353,46 3.155,48 23.717,49 6.784,50 1.277,51 4,52 17.025,53 0.201,54 10.975,55 10.975,56 1.201,57 4.409,58 4.409,59 20.555,60 161,62 4.517,63 47.228,64 1,65 3.825,66 7.472,67 7.472,68 5.267,70 7.638}
{0 CHEMBL163078,14 24.769,16 18.624,17 1,18 13.188,19 13.188,20 13.188,21 3,22 12.998,24 -0.372,25 11.079,26 16.684,28 0.937,29 14.76,33 12.858,34 8.017,35 10.453,36 41.4,37 5.727,38 153,39 38,40 3.664,41 4.344,42 6.891,43 3.532,44 3.386,45 9.18,46 2.91,48 10.4,49 6.858,50 -0.046,51 4,52 6.839,53 0.245,54 11.226,55 11.226,56 1.03,57 4.407,58 4.407,59 20.575,60 78,62 3.823,63 32.824,64 1,65 3.464,66 7.471,67 7.471,68 4.555,70 7.032}
{0 CHEMBL164484,13 1,14 24.639,16 18.781,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.308,24 1.04,25 11.299,26 16.865,28 2.132,29 14.969,33 13.097,34 8.236,35 10.657,36 62.985,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.261,43 4.313,44 4.163,45 9.388,46 3.195,48 20.568,49 6.794,50 1.387,51 4,52 15.979,53 0.199,54 11.022,55 11.022,56 0.752,57 4.409,58 4.409,59 20.557,60 170,62 4.45,63 45.875,64 1,65 3.806,66 7.472,67 7.472,68 5.169,70 8.921}
{0 CHEMBL1649910,12 1,13 4,14 23.845,15 1,16 18.41,17 1,18 11.677,19 11.677,20 11.677,21 7,22 13.153,24 1.53,25 11.109,26 16.572,28 2.531,29 14.75,33 12.947,34 7.987,35 10.436,36 62.831,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.283,43 4.42,44 4.283,45 9.177,46 3.217,47 1,48 23.732,49 6.543,50 1.54,51 6,52 16.539,53 0.194,54 10.348,55 10.348,56 0.92,57 4.242,58 4.242,59 18.922,60 182,62 4.502,63 45.512,64 4,65 3.824,66 6.927,67 6.927,68 5.34,69 18.011,70 10}
{0 CHEMBL1649911,12 1,13 4,14 23.689,15 1,16 18.394,17 1,18 11.676,19 11.676,20 11.676,21 7,22 13.141,24 1.43,25 11.091,26 16.556,28 2.506,29 14.734,33 12.931,34 7.97,35 10.422,36 61.016,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.265,43 4.424,44 4.27,45 9.164,46 3.22,47 1,48 24.257,49 6.543,50 1.533,51 6,52 16.932,53 0.197,54 10.347,55 10.347,56 0.744,57 4.242,58 4.242,59 18.919,60 157,62 4.486,63 45.057,64 2,65 3.814,66 6.927,67 6.927,68 5.319,69 18.011,70 10}
{0 CHEMBL1649912,13 6,14 13.088,16 18.524,17 1,18 10.95,19 10.95,20 10.95,21 6,22 13.15,24 1.33,25 11.184,26 16.68,28 2.362,29 14.849,33 13.033,34 8.165,35 10.595,36 63.565,37 6.172,38 239,39 60,40 4.111,41 4.796,42 7.313,43 4.64,44 4.471,45 9.352,46 3.293,47 1,48 30.578,49 6.715,50 1.5,51 10,52 20.743,53 0.192,54 10.9,55 10.9,56 1.176,57 4.166,58 4.166,59 18.028,60 170,62 4.675,63 48.825,64 2,65 3.89,66 6.719,67 6.719,68 5.528,69 18.011,70 8.854}
{0 CHEMBL1649913,12 1,13 4,14 11.8,16 18.267,17 1,18 11.657,19 11.657,20 11.657,21 7,22 13.07,24 1.204,25 10.961,26 16.419,28 2.234,29 14.588,33 12.777,34 7.813,35 10.285,36 53.766,37 6.014,38 204,39 50,40 3.932,41 4.615,42 7.133,43 4.273,44 4.093,45 9.004,46 3.213,47 1,48 21.507,49 6.542,50 1.5,51 6,52 14.925,53 0.205,54 10.339,55 10.339,56 0.807,57 4.233,58 4.233,59 18.871,60 115,62 4.369,63 41.137,64 1,65 3.73,66 6.923,67 6.923,68 5.121,69 18.011,70 9.301}
{0 CHEMBL1649914,12 1,13 4,14 11.932,16 18.354,17 2,18 11.69,19 11.69,20 11.69,21 8,22 13.138,24 1.534,25 11.078,26 16.519,28 2.534,29 14.701,33 12.906,34 7.936,35 10.405,36 65.594,37 6.209,38 248,39 61,40 4.127,41 4.812,42 7.327,43 4.647,44 4.474,45 9.121,46 3.329,47 1,48 31.048,49 6.543,50 1.713,51 6,52 21.06,53 0.184,54 10.347,55 10.347,56 0.837,57 4.241,58 4.241,59 18.908,60 197,62 4.694,63 51.188,64 1,65 3.938,66 6.929,67 6.929,68 5.503,69 18.011,70 7.538}
{0 CHEMBL1649915,12 1,13 4,14 11.805,16 18.267,17 1,18 11.657,19 11.657,20 11.657,21 7,22 12.971,24 1.2,25 10.961,26 16.419,28 2.228,29 14.588,33 12.777,34 7.813,35 10.285,36 53.821,37 6.014,38 204,39 50,40 3.932,41 4.615,42 7.133,43 4.31,44 4.121,45 9.004,46 3.211,47 1,48 22.69,49 6.542,50 1.437,51 6,52 15.221,53 0.205,54 10.339,55 10.339,56 0.797,57 4.232,58 4.232,59 18.871,60 115,61 1,62 4.402,63 41.904,64 1,65 3.735,66 6.923,67 6.923,68 5.209,69 36.022,70 8.046}
{0 CHEMBL1649916,12 1,13 4,14 11.83,16 18.294,17 2,18 11.685,19 11.685,20 11.685,21 7,22 13.002,24 1.201,25 10.996,26 16.45,28 2.228,29 14.623,33 12.817,34 7.856,35 10.322,36 55.323,37 6.047,38 211,39 52,40 3.97,41 4.654,42 7.172,43 4.405,44 4.206,45 9.049,46 3.215,47 1,48 25.747,49 6.543,50 1.5,51 6,52 17.201,53 0.203,54 10.345,55 10.345,56 0.758,57 4.239,58 4.239,59 18.902,60 122,62 4.482,63 43.665,64 1,65 3.767,66 6.928,67 6.928,68 5.335,69 18.011,70 8.301}
{0 CHEMBL1649917,12 1,13 5,14 11.872,16 18.37,17 2,18 11.696,19 11.696,20 11.696,21 7,22 13.049,24 1.254,25 11.061,26 16.529,28 2.26,29 14.702,33 12.895,34 7.932,35 10.389,36 58.762,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.229,43 4.557,44 4.356,45 9.124,46 3.23,47 1,48 29.234,49 6.544,50 1.5,51 6,52 19.711,53 0.199,54 10.349,55 10.349,56 0.761,57 4.244,58 4.244,59 18.917,60 137,62 4.591,63 47.188,64 1,65 3.835,66 6.931,67 6.931,68 5.442,69 18.011,70 8.523}
{0 CHEMBL1649918,12 1,13 4,14 36.268,16 18.711,17 1,18 11.906,19 11.906,20 11.906,21 7,22 13.443,24 1.5,25 11.286,26 16.826,28 2.5,29 14.957,33 13.107,34 8.22,35 10.692,36 61.796,37 6.142,38 232,39 58,40 4.078,41 4.762,42 7.29,43 4.516,44 4.338,45 9.43,46 3.24,47 1,48 26.802,49 6.906,50 1.534,51 6,52 19.25,53 0.197,54 11.443,55 11.443,56 0.898,57 4.312,58 4.312,59 19.163,60 145,62 4.575,63 46.222,64 4,65 3.835,66 7.132,67 7.132,68 5.421,69 18.011,70 8.699}
{0 CHEMBL1649919,12 1,13 4,14 23.87,16 18.37,17 1,18 11.696,19 11.696,20 11.696,21 7,22 13.085,24 1.43,25 11.061,26 16.529,28 2.5,29 14.702,33 12.895,34 7.932,35 10.389,36 59.145,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.229,43 4.468,44 4.293,45 9.124,46 3.221,47 1,48 26.075,49 6.544,50 1.5,51 6,52 17.774,53 0.199,54 10.349,55 10.349,56 0.864,57 4.244,58 4.244,59 18.917,60 137,62 4.527,63 45.12,64 2,65 3.806,66 6.931,67 6.931,68 5.368,69 18.011,70 9.398}
{0 CHEMBL1649920,12 1,13 4,14 24.258,16 18.387,17 1,18 11.698,19 11.698,20 11.698,21 7,22 13.097,24 1.5,25 11.079,26 16.545,28 2.5,29 14.719,33 12.912,34 7.949,35 10.404,36 60.755,37 6.125,38 228,39 56,40 4.043,41 4.727,42 7.248,43 4.524,44 4.354,45 9.137,46 3.243,47 1,48 27.144,49 6.544,50 1.525,51 6,52 18.434,53 0.196,54 10.35,55 10.35,56 1.067,57 4.245,58 4.245,59 18.919,60 155,62 4.573,63 46.881,64 2,65 3.839,66 6.932,67 6.932,68 5.41,69 18.011,70 9.398}
{0 CHEMBL1649921,12 1,13 5,14 24.607,16 18.449,17 1,18 11.7,19 11.7,20 11.7,21 7,22 13.138,24 1.5,25 11.127,26 16.606,28 2.5,29 14.778,33 12.968,34 7.999,35 10.456,36 62.861,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.283,43 4.578,44 4.411,45 9.196,46 3.271,47 1,48 28.234,49 6.545,50 1.534,51 6,52 19.104,53 0.194,54 10.353,55 10.353,56 1.225,57 4.247,58 4.247,59 18.925,60 154,62 4.616,63 48.643,64 2,65 3.872,66 6.933,67 6.933,68 5.45,69 18.011,70 9.398}
{0 CHEMBL1649922,12 1,13 4,14 24.028,16 18.387,17 1,18 11.698,19 11.698,20 11.698,21 7,22 13.097,24 1.5,25 11.079,26 16.545,28 2.5,29 14.719,33 12.912,34 7.949,35 10.404,36 60.86,37 6.125,38 228,39 56,40 4.043,41 4.727,42 7.248,43 4.467,44 4.317,45 9.137,46 3.218,47 1,48 25.271,49 6.544,50 1.525,51 6,52 17.265,53 0.196,54 10.35,55 10.35,56 1.072,57 4.244,58 4.244,59 18.919,60 155,62 4.532,63 45.574,64 4,65 3.815,66 6.932,67 6.932,68 5.389,69 18.011,70 9.523}
{0 CHEMBL1649923,12 1,13 5,14 24.502,16 18.402,17 1,18 11.698,19 11.698,20 11.698,21 7,22 13.121,24 1.5,25 11.102,26 16.563,28 2.5,29 14.74,33 12.938,34 7.974,35 10.429,36 64.03,37 6.168,38 238,39 59,40 4.094,41 4.779,42 7.292,43 4.563,44 4.415,45 9.166,46 3.312,47 1,48 27.809,49 6.544,50 1.535,51 6,52 18.645,53 0.192,54 10.351,55 10.351,56 1.041,57 4.244,58 4.244,59 18.92,60 175,62 4.644,63 49.097,64 4,65 3.881,66 6.932,67 6.932,68 5.49,69 18.011,70 10}
{0 CHEMBL1649924,12 1,13 4,14 24.017,15 1,16 18.411,17 1,18 11.698,19 11.698,20 11.698,21 7,22 13.153,24 1.523,25 11.109,26 16.573,28 2.528,29 14.75,33 12.947,34 7.987,35 10.436,36 62.776,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.283,43 4.465,44 4.332,45 9.177,46 3.218,47 1,48 24.777,49 6.544,50 1.546,51 6,52 17.333,53 0.194,54 10.35,55 10.35,56 0.925,57 4.244,58 4.244,59 18.919,60 164,62 4.53,63 45.512,64 4,65 3.824,66 6.932,67 6.932,68 5.4,69 18.011,70 10}
{0 CHEMBL1649925,12 1,13 4,14 24.028,16 18.38,17 1,18 11.696,19 11.696,20 11.696,21 7,22 13.096,24 1.43,25 11.071,26 16.54,28 2.5,29 14.715,33 12.909,34 7.945,35 10.399,36 60.804,37 6.125,38 228,39 56,40 4.043,41 4.727,42 7.248,43 4.484,44 4.326,45 9.134,46 3.164,47 1,48 26.525,49 6.544,50 1.5,51 6,52 17.982,53 0.196,54 10.349,55 10.349,56 0.957,57 4.244,58 4.244,59 18.917,60 143,62 4.544,63 45.574,64 3,65 3.815,66 6.931,67 6.931,68 5.426,69 18.011,70 9.222}
{0 CHEMBL1649926,12 1,13 4,14 24.017,15 1,16 18.404,17 1,18 11.696,19 11.696,20 11.696,21 7,22 13.152,24 1.43,25 11.102,26 16.567,28 2.505,29 14.746,33 12.945,34 7.982,35 10.432,36 62.714,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.283,43 4.482,44 4.341,45 9.174,46 3.164,47 1,48 26.244,49 6.544,50 1.538,51 6,52 18.021,53 0.194,54 10.35,55 10.35,56 0.84,57 4.244,58 4.244,59 18.917,60 147,62 4.543,63 45.512,64 3,65 3.824,66 6.931,67 6.931,68 5.433,69 18.011,70 9.699}
{0 CHEMBL1649927,12 1,13 4,14 24.174,15 1,16 18.42,17 1,18 11.698,19 11.698,20 11.698,21 7,22 13.164,24 1.526,25 11.119,26 16.583,28 2.531,29 14.762,33 12.961,34 7.999,35 10.446,36 64.485,37 6.176,38 240,39 59,40 4.094,41 4.779,42 7.3,43 4.481,44 4.363,45 9.187,46 3.15,47 1,48 25.393,49 6.544,50 1.548,51 6,52 17.497,53 0.192,54 10.351,55 10.351,56 0.988,57 4.244,58 4.244,59 18.919,60 173,62 4.548,63 45.966,64 5,65 3.833,66 6.932,67 6.932,68 5.453,69 18.011,70 9.699}
{0 CHEMBL1649928,12 1,13 4,14 11.893,15 1,16 18.436,17 1,18 11.678,19 11.678,20 11.678,21 8,22 13.21,24 1.533,25 11.146,26 16.599,28 2.531,29 14.777,33 12.976,34 8.011,35 10.47,36 66.251,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.351,43 4.486,44 4.342,45 9.196,46 3.262,47 1,48 24.916,49 6.544,50 1.705,51 6,52 17.249,53 0.185,54 10.349,55 10.349,56 0.71,57 4.242,58 4.242,59 18.927,60 197,62 4.548,63 47.853,64 3,65 3.885,66 6.928,67 6.928,68 5.347,69 18.011,70 10}
{0 CHEMBL1649929,12 1,13 4,14 11.892,15 1,16 18.436,17 1,18 11.678,19 11.678,20 11.678,21 8,22 13.21,24 1.533,25 11.146,26 16.599,28 2.531,29 14.777,33 12.976,34 8.011,35 10.47,36 66.251,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.351,43 4.488,44 4.343,45 9.196,46 3.268,47 1,48 25.098,49 6.544,50 1.705,51 6,52 17.28,53 0.185,54 10.349,55 10.349,56 0.709,57 4.242,58 4.242,59 18.927,60 197,62 4.556,63 47.853,64 2,65 3.885,66 6.928,67 6.928,68 5.356,69 18.011,70 10}
{0 CHEMBL1649930,12 1,13 4,14 24.074,15 1,16 18.41,17 1,18 11.677,19 11.677,20 11.677,21 7,22 13.153,24 1.53,25 11.109,26 16.572,28 2.531,29 14.75,33 12.947,34 7.987,35 10.436,36 62.699,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.283,43 4.46,44 4.309,45 9.177,46 3.234,47 1,48 24.873,49 6.543,50 1.54,51 6,52 17.253,53 0.194,54 10.348,55 10.348,56 0.885,57 4.242,58 4.242,59 18.922,60 182,62 4.527,63 46.819,64 2,65 3.848,66 6.927,67 6.927,68 5.349,69 18.011,70 10}
{0 CHEMBL1649931,12 1,13 5,14 24.421,15 1,16 18.471,17 1,18 11.679,19 11.679,20 11.679,21 7,22 13.192,24 1.533,25 11.155,26 16.632,28 2.531,29 14.807,33 13.002,34 8.034,35 10.486,36 64.828,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.317,43 4.496,44 4.347,45 9.234,46 3.262,47 1,48 25.502,49 6.544,50 1.697,51 6,52 17.581,53 0.193,54 10.35,55 10.35,56 0.99,57 4.244,58 4.244,59 18.932,60 174,62 4.567,63 48.58,64 2,65 3.88,66 6.928,67 6.928,68 5.378,69 18.011,70 10}
{0 CHEMBL1649932,12 1,13 4,14 24.321,15 1,16 18.412,17 1,18 11.677,19 11.677,20 11.677,21 7,22 13.156,24 1.533,25 11.114,26 16.575,28 2.531,29 14.752,33 12.95,34 7.987,35 10.44,36 63.745,37 6.172,38 239,39 59,40 4.094,41 4.779,42 7.296,43 4.503,44 4.35,45 9.179,46 3.275,47 1,48 26.12,49 6.543,50 1.601,51 6,52 17.913,53 0.192,54 10.348,55 10.348,56 0.867,57 4.242,58 4.242,59 18.923,60 207,62 4.585,63 48.58,64 2,65 3.88,66 6.927,67 6.927,68 5.403,69 18.011,70 10}
{0 CHEMBL1649933,12 1,13 4,14 24.759,15 1,16 18.789,17 1,18 11.89,19 11.89,20 11.89,21 7,22 13.347,24 1.533,25 11.365,26 16.907,28 2.531,29 15.04,33 13.195,34 8.296,35 10.767,36 67.05,37 6.221,38 251,39 63,40 4.159,41 4.844,42 7.372,43 4.53,44 4.383,45 9.513,46 3.279,47 1,48 26.143,49 6.924,50 1.702,51 6,52 17.913,53 0.192,54 11.633,55 11.633,56 1.054,57 4.357,58 4.357,59 19.42,60 167,62 4.605,63 50.342,64 2,65 3.911,66 7.185,67 7.185,68 5.407,69 18.011,70 10}
{0 CHEMBL1668019,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 38.58,16 19.095,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.318,24 1.5,25 11.55,26 17.123,28 2.5,29 15.18,30 2,31 2,32 1,33 13.272,34 8.423,35 10.852,36 71.343,37 6.271,38 264,39 65,40 4.19,41 4.875,42 7.41,43 4.576,44 4.438,45 9.544,46 3.417,48 28.608,49 6.613,50 1.583,51 4,52 19.642,53 0.181,54 10.352,55 10.352,56 1.192,57 4.631,58 4.631,59 23.703,60 284,61 2,62 4.638,63 53.972,64 1,65 3.992,66 7.995,67 7.995,68 5.521,69 103.377,70 7.403}
{0 CHEMBL1668020,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 38.58,16 19.095,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.318,24 1.5,25 11.55,26 17.123,28 2.5,29 15.18,30 2,31 2,32 1,33 13.272,34 8.423,35 10.852,36 71.343,37 6.271,38 264,39 65,40 4.19,41 4.875,42 7.41,43 4.576,44 4.438,45 9.544,46 3.417,48 28.608,49 6.613,50 1.583,51 4,52 19.642,53 0.181,54 10.352,55 10.352,56 1.192,57 4.631,58 4.631,59 23.703,60 284,61 2,62 4.638,63 53.972,64 1,65 3.992,66 7.995,67 7.995,68 5.521,69 103.377,70 4.357}
{0 CHEMBL1668021,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 38.58,16 19.095,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.318,24 1.5,25 11.55,26 17.123,28 2.5,29 15.18,30 2,31 2,32 1,33 13.272,34 8.423,35 10.852,36 71.343,37 6.271,38 264,39 65,40 4.19,41 4.875,42 7.41,43 4.576,44 4.438,45 9.544,46 3.417,48 28.608,49 6.613,50 1.583,51 4,52 19.642,53 0.181,54 10.352,55 10.352,56 1.192,57 4.631,58 4.631,59 23.703,60 284,61 2,62 4.638,63 53.972,64 1,65 3.992,66 7.995,67 7.995,68 5.521,69 103.377,70 6.374}
{0 CHEMBL1668022,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 38.58,16 19.095,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.318,24 1.5,25 11.55,26 17.123,28 2.5,29 15.18,30 2,31 2,32 1,33 13.272,34 8.423,35 10.852,36 71.343,37 6.271,38 264,39 65,40 4.19,41 4.875,42 7.41,43 4.576,44 4.438,45 9.544,46 3.417,48 28.608,49 6.613,50 1.583,51 4,52 19.642,53 0.181,54 10.352,55 10.352,56 1.192,57 4.631,58 4.631,59 23.703,60 284,61 2,62 4.638,63 53.972,64 1,65 3.992,66 7.995,67 7.995,68 5.521,69 103.377,70 4.292}
{0 CHEMBL1683055,13 3,14 13.741,16 19.147,18 14.984,19 14.984,20 14.984,21 4,22 13.193,24 1,25 11.524,26 17.159,28 2,29 15.192,33 13.253,34 8.463,35 10.915,36 55.872,37 6.047,38 211,39 53,40 3.989,41 4.673,42 7.209,43 4.152,44 4.033,45 9.622,46 3.081,48 18.748,49 7.118,50 1,51 4,52 12.678,53 0.207,54 11.701,55 11.701,56 0.878,57 4.626,58 4.626,59 23.056,60 152,62 4.348,63 42.444,64 1,65 3.751,66 7.955,67 7.955,68 5.226,69 18.011,70 6.548}
{0 CHEMBL1683059,13 4,14 13.806,16 19.182,18 14.984,19 14.984,20 14.984,21 4,22 13.231,24 1,25 11.564,26 17.199,28 2.084,29 15.237,33 13.303,34 8.504,35 10.953,36 57.628,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.249,43 4.232,44 4.114,45 9.666,46 3.082,48 20.263,49 7.118,50 1.311,51 3,52 13.698,53 0.205,54 11.701,55 11.701,56 0.927,57 4.626,58 4.626,59 23.056,60 148,62 4.419,63 44.205,64 1,65 3.786,66 7.955,67 7.955,68 5.285,69 18.011,70 7.114}
{0 CHEMBL1683060,13 4,14 13.806,16 19.182,18 14.984,19 14.984,20 14.984,21 4,22 13.231,24 1,25 11.564,26 17.199,28 2.084,29 15.237,33 13.303,34 8.504,35 10.953,36 57.628,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.249,43 4.232,44 4.114,45 9.666,46 3.082,48 20.263,49 7.118,50 1.311,51 3,52 13.698,53 0.205,54 11.701,55 11.701,56 0.927,57 4.626,58 4.626,59 23.056,60 148,62 4.419,63 44.205,64 1,65 3.786,66 7.955,67 7.955,68 5.285,69 18.011,70 6.967}
{0 CHEMBL1683061,13 4,14 13.806,16 19.182,18 14.984,19 14.984,20 14.984,21 4,22 13.231,24 1,25 11.564,26 17.199,28 2.084,29 15.237,33 13.303,34 8.504,35 10.953,36 57.628,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.249,43 4.232,44 4.114,45 9.666,46 3.082,48 20.263,49 7.118,50 1.311,51 3,52 13.698,53 0.205,54 11.701,55 11.701,56 0.927,57 4.626,58 4.626,59 23.056,60 148,62 4.419,63 44.205,64 1,65 3.786,66 7.955,67 7.955,68 5.285,69 18.011,70 6.432}
{0 CHEMBL1683062,13 4,14 13.806,16 19.182,18 14.984,19 14.984,20 14.984,21 4,22 13.231,24 1,25 11.564,26 17.199,28 2.084,29 15.237,33 13.303,34 8.504,35 10.953,36 57.628,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.249,43 4.232,44 4.114,45 9.666,46 3.082,48 20.263,49 7.118,50 1.311,51 3,52 13.698,53 0.205,54 11.701,55 11.701,56 0.927,57 4.626,58 4.626,59 23.056,60 148,62 4.419,63 44.205,64 1,65 3.786,66 7.955,67 7.955,68 5.285,69 18.011,70 6}
{0 CHEMBL1683063,13 4,14 13.862,16 19.191,18 14.984,19 14.984,20 14.984,21 4,22 13.239,24 1,25 11.579,26 17.209,28 2.084,29 15.249,33 13.315,34 8.518,35 10.962,36 58.82,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.268,43 4.312,44 4.181,45 9.675,46 3.21,48 22.36,49 7.118,50 1.313,51 3,52 15.051,53 0.202,54 11.701,55 11.701,56 0.921,57 4.626,58 4.626,59 23.056,60 150,62 4.486,63 45.967,64 1,65 3.82,66 7.955,67 7.955,68 5.366,69 18.011,70 7.745}
{0 CHEMBL1683064,13 4,14 13.862,16 19.191,18 14.984,19 14.984,20 14.984,21 4,22 13.239,24 1,25 11.579,26 17.209,28 2.084,29 15.249,33 13.315,34 8.518,35 10.962,36 58.82,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.268,43 4.312,44 4.181,45 9.675,46 3.21,48 22.36,49 7.118,50 1.313,51 3,52 15.051,53 0.202,54 11.701,55 11.701,56 0.921,57 4.626,58 4.626,59 23.056,60 150,62 4.486,63 45.967,64 1,65 3.82,66 7.955,67 7.955,68 5.366,69 18.011,70 6.506}
{0 CHEMBL1683065,13 4,14 13.862,16 19.191,18 14.984,19 14.984,20 14.984,21 4,22 13.239,24 1,25 11.579,26 17.209,28 2.084,29 15.249,33 13.315,34 8.518,35 10.962,36 58.82,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.268,43 4.312,44 4.181,45 9.675,46 3.21,48 22.36,49 7.118,50 1.313,51 3,52 15.051,53 0.202,54 11.701,55 11.701,56 0.921,57 4.626,58 4.626,59 23.056,60 150,62 4.486,63 45.967,64 1,65 3.82,66 7.955,67 7.955,68 5.366,69 18.011,70 6.263}
{0 CHEMBL1683066,13 4,14 13.862,16 19.191,18 14.984,19 14.984,20 14.984,21 4,22 13.239,24 1,25 11.579,26 17.209,28 2.084,29 15.249,33 13.315,34 8.518,35 10.962,36 58.82,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.268,43 4.312,44 4.181,45 9.675,46 3.21,48 22.36,49 7.118,50 1.313,51 3,52 15.051,53 0.202,54 11.701,55 11.701,56 0.921,57 4.626,58 4.626,59 23.056,60 150,62 4.486,63 45.967,64 1,65 3.82,66 7.955,67 7.955,68 5.366,69 18.011,70 6}
{0 CHEMBL1683067,13 4,14 13.837,16 19.191,18 14.984,19 14.984,20 14.984,21 4,22 13.239,24 1,25 11.579,26 17.209,28 2.084,29 15.249,33 13.315,34 8.518,35 10.962,36 58.877,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.268,43 4.257,44 4.144,45 9.675,46 3.081,48 21.089,49 7.118,50 1.313,51 2,52 14.176,53 0.202,54 11.701,55 11.701,56 0.893,57 4.626,58 4.626,59 23.056,60 150,61 1,62 4.438,63 44.66,64 1,65 3.796,66 7.955,67 7.955,68 5.339,69 18.011,70 7.638}
{0 CHEMBL1683068,13 4,14 13.837,16 19.191,18 14.984,19 14.984,20 14.984,21 4,22 13.239,24 1,25 11.579,26 17.209,28 2.084,29 15.249,33 13.315,34 8.518,35 10.962,36 58.877,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.268,43 4.257,44 4.144,45 9.675,46 3.081,48 21.089,49 7.118,50 1.313,51 2,52 14.176,53 0.202,54 11.701,55 11.701,56 0.893,57 4.626,58 4.626,59 23.056,60 150,61 1,62 4.438,63 44.66,64 1,65 3.796,66 7.955,67 7.955,68 5.339,69 18.011,70 6.69}
{0 CHEMBL1683069,13 4,14 13.883,16 19.192,18 14.984,19 14.984,20 14.984,21 4,22 13.242,24 1,25 11.582,26 17.211,28 2.084,29 15.25,33 13.317,34 8.518,35 10.965,36 60.297,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.281,43 4.336,44 4.212,45 9.676,46 3.239,48 22.957,49 7.118,50 1.314,51 2,52 15.433,53 0.199,54 11.701,55 11.701,56 0.913,57 4.626,58 4.626,59 23.056,60 176,61 1,62 4.501,63 46.421,64 1,65 3.83,66 7.955,67 7.955,68 5.404,69 18.011,70 7.648}
{0 CHEMBL1683070,13 4,14 13.883,16 19.192,18 14.984,19 14.984,20 14.984,21 4,22 13.242,24 1,25 11.582,26 17.211,28 2.084,29 15.25,33 13.317,34 8.518,35 10.965,36 60.297,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.281,43 4.336,44 4.212,45 9.676,46 3.239,48 22.957,49 7.118,50 1.314,51 2,52 15.433,53 0.199,54 11.701,55 11.701,56 0.913,57 4.626,58 4.626,59 23.056,60 176,61 1,62 4.501,63 46.421,64 1,65 3.83,66 7.955,67 7.955,68 5.404,69 18.011,70 6.686}
{0 CHEMBL1683071,13 4,14 13.888,16 19.192,18 14.984,19 14.984,20 14.984,21 4,22 13.242,24 1,25 11.582,26 17.211,28 2.084,29 15.25,33 13.317,34 8.518,35 10.965,36 60.222,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.281,43 4.333,44 4.213,45 9.676,46 3.145,48 22.563,49 7.118,50 1.314,51 2,52 15.207,53 0.199,54 11.701,55 11.701,56 0.893,57 4.626,58 4.626,59 23.056,60 176,62 4.5,63 46.421,64 1,65 3.83,66 7.955,67 7.955,68 5.386,69 18.011,70 6.697}
{0 CHEMBL1683072,13 4,14 13.888,16 19.192,18 14.984,19 14.984,20 14.984,21 4,22 13.242,24 1,25 11.582,26 17.211,28 2.084,29 15.25,33 13.317,34 8.518,35 10.965,36 60.222,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.281,43 4.333,44 4.213,45 9.676,46 3.145,48 22.563,49 7.118,50 1.314,51 2,52 15.207,53 0.199,54 11.701,55 11.701,56 0.893,57 4.626,58 4.626,59 23.056,60 176,62 4.5,63 46.421,64 1,65 3.83,66 7.955,67 7.955,68 5.386,69 18.011,70 6.243}
{0 CHEMBL1683073,13 4,14 13.821,16 19.191,18 14.984,19 14.984,20 14.984,21 4,22 13.239,24 1,25 11.579,26 17.209,28 2.084,29 15.249,33 13.315,34 8.518,35 10.962,36 58.877,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.268,43 4.233,44 4.125,45 9.675,46 3.081,48 20.626,49 7.118,50 1.313,51 2,52 13.556,53 0.202,54 11.701,55 11.701,56 0.829,57 4.626,58 4.626,59 23.056,60 150,61 1,62 4.427,63 43.904,64 2,65 3.779,66 7.955,67 7.955,68 5.331,69 18.011,70 7.577}
{0 CHEMBL1683074,13 4,14 13.821,16 19.191,18 14.984,19 14.984,20 14.984,21 4,22 13.239,24 1,25 11.579,26 17.209,28 2.084,29 15.249,33 13.315,34 8.518,35 10.962,36 58.877,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.268,43 4.233,44 4.125,45 9.675,46 3.031,48 20.626,49 7.118,50 1.313,51 2,52 13.556,53 0.202,54 11.701,55 11.701,56 0.917,57 4.626,58 4.626,59 23.056,60 150,61 1,62 4.427,63 43.904,64 2,65 3.779,66 7.955,67 7.955,68 5.331,69 18.011,70 8.322}
{0 CHEMBL1683075,13 4,14 13.806,16 19.191,18 14.984,19 14.984,20 14.984,21 4,22 13.239,24 1,25 11.579,26 17.209,28 2.084,29 15.249,33 13.315,34 8.518,35 10.962,36 58.877,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.268,43 4.209,44 4.106,45 9.675,46 3.031,48 20.165,49 7.118,50 1.313,51 2,52 12.933,53 0.202,54 11.701,55 11.701,56 0.851,57 4.626,58 4.626,59 23.056,60 150,61 1,62 4.416,63 43.148,64 4,65 3.762,66 7.955,67 7.955,68 5.323,69 18.011,70 7.458}
{0 CHEMBL1683190,13 3,14 13.558,16 19.116,18 14.338,19 14.338,20 14.338,21 4,22 13.32,24 1.017,25 11.59,26 17.17,28 2.198,29 15.24,33 13.334,34 8.587,35 11.029,36 60.961,37 6.151,38 234,39 60,40 4.111,41 4.796,42 7.327,43 4.096,44 4.094,45 9.763,46 3.031,48 15.825,49 7.118,50 1.407,51 2,52 12.218,53 0.198,54 11.701,55 11.701,56 0.823,57 4.575,58 4.575,59 22.372,60 166,61 1,62 4.309,63 41.955,64 2,65 3.77,66 7.719,67 7.719,68 5.279,69 18.011,70 7.955}
{0 CHEMBL1687948,13 3,14 13.258,16 19.209,17 2,18 13.21,19 13.21,20 13.21,21 6,22 13.51,24 1.428,25 11.689,26 17.279,28 2.431,29 15.363,33 13.467,34 8.634,35 11.081,36 67.737,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.449,43 4.377,44 4.262,45 9.817,46 3.131,48 24.348,49 7.128,50 1.65,51 4,52 16.691,53 0.191,54 12.012,55 12.012,56 0.724,57 4.42,58 4.42,59 20.772,60 181,62 4.54,63 48.455,64 2,65 3.891,66 7.475,67 7.475,68 5.347,70 6}
{0 CHEMBL1688239,13 2,14 13.215,16 18.899,17 2,18 13.208,19 13.208,20 13.208,21 6,22 13.291,24 1.137,25 11.419,26 16.982,28 2.155,29 15.081,33 13.203,34 8.336,35 10.772,36 59.749,37 6.138,38 231,39 57,40 4.06,41 4.745,42 7.296,43 4.293,44 4.108,45 9.503,46 3.13,48 21.712,49 6.794,50 1.28,51 4,52 15.874,53 0.2,54 11.182,55 11.182,56 0.889,57 4.417,58 4.417,59 20.746,60 160,62 4.392,63 46.018,64 2,65 3.814,66 7.475,67 7.475,68 5.126,70 8.684}
{0 CHEMBL1688240,13 2,14 13.211,16 19.148,17 2,18 13.208,19 13.208,20 13.208,21 6,22 13.47,24 1.279,25 11.619,26 17.219,28 2.387,29 15.304,33 13.409,34 8.576,35 11.023,36 64.558,37 6.225,38 252,39 63,40 4.159,41 4.844,42 7.401,43 4.278,44 4.153,45 9.761,46 3.131,48 21.147,49 7.122,50 1.524,51 4,52 14.625,53 0.195,54 11.743,55 11.743,56 0.741,57 4.417,58 4.417,59 20.758,60 168,62 4.395,63 46.239,64 2,65 3.85,66 7.475,67 7.475,68 5.171,70 8.611}
{0 CHEMBL1688241,11 1,13 3,14 13.218,16 19.199,17 2,18 13.209,19 13.209,20 13.209,21 6,22 13.504,24 1.405,25 11.675,26 17.269,28 2.408,29 15.353,33 13.456,34 8.621,35 11.072,36 66.374,37 6.256,38 260,39 65,40 4.19,41 4.875,42 7.434,43 4.291,44 4.186,45 9.809,46 3.131,48 21.074,49 7.127,50 1.636,51 4,52 14.813,53 0.193,54 11.924,55 11.924,56 0.726,57 4.419,58 4.419,59 20.772,60 172,61 1,62 4.418,63 46.694,64 2,65 3.863,66 7.475,67 7.475,68 5.205,69 42.683,70 6.676}
{0 CHEMBL1688242,13 3,14 13.258,16 19.209,17 2,18 13.21,19 13.21,20 13.21,21 6,22 13.51,24 1.428,25 11.689,26 17.279,28 2.431,29 15.363,33 13.467,34 8.634,35 11.081,36 67.737,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.449,43 4.377,44 4.262,45 9.817,46 3.131,48 24.348,49 7.128,50 1.65,51 4,52 16.691,53 0.191,54 12.012,55 12.012,56 0.724,57 4.42,58 4.42,59 20.772,60 181,62 4.54,63 48.455,64 2,65 3.891,66 7.475,67 7.475,68 5.347,70 8.397}
{0 CHEMBL1688243,13 3,14 13.283,16 19.209,17 2,18 13.21,19 13.21,20 13.21,21 6,22 13.512,24 1.445,25 11.692,26 17.28,28 2.449,29 15.365,33 13.469,34 8.634,35 11.084,36 69.057,37 6.29,38 269,39 67,40 4.22,41 4.905,42 7.461,43 4.504,44 4.367,45 9.818,46 3.208,48 28.171,49 7.128,50 1.656,51 4,52 19.223,53 0.188,54 12.018,55 12.018,56 0.739,57 4.42,58 4.42,59 20.772,60 190,62 4.631,63 50.217,64 2,65 3.921,66 7.475,67 7.475,68 5.472,70 8.516}
{0 CHEMBL1688244,11 1,13 3,14 13.218,16 19.199,17 2,18 13.209,19 13.209,20 13.209,21 6,22 13.504,24 1.405,25 11.675,26 17.269,28 2.408,29 15.353,33 13.456,34 8.621,35 11.072,36 66.374,37 6.256,38 260,39 65,40 4.19,41 4.875,42 7.434,43 4.291,44 4.186,45 9.809,46 3.131,48 21.074,49 7.127,50 1.636,51 4,52 14.813,53 0.193,54 11.924,55 11.924,56 0.726,57 4.419,58 4.419,59 20.772,60 172,61 1,62 4.418,63 46.694,64 2,65 3.863,66 7.475,67 7.475,68 5.205,69 42.683,70 6}
{0 CHEMBL1688245,13 3,14 13.283,16 19.209,17 2,18 13.21,19 13.21,20 13.21,21 6,22 13.512,24 1.445,25 11.692,26 17.28,28 2.449,29 15.365,33 13.469,34 8.634,35 11.084,36 69.057,37 6.29,38 269,39 67,40 4.22,41 4.905,42 7.461,43 4.504,44 4.367,45 9.818,46 3.208,48 28.171,49 7.128,50 1.656,51 4,52 19.223,53 0.188,54 12.018,55 12.018,56 0.739,57 4.42,58 4.42,59 20.772,60 190,62 4.631,63 50.217,64 2,65 3.921,66 7.475,67 7.475,68 5.472,70 6}
{0 CHEMBL1688888,10 1,14 24.13,15 1,16 18.494,18 12.181,19 12.181,20 12.181,21 4,22 13.298,24 -0.398,25 11.025,26 16.604,28 1,29 14.732,33 12.881,34 7.997,35 10.47,36 47.839,37 5.866,38 176,39 45,40 3.829,41 4.511,42 7.029,43 3.254,44 3.312,45 9.229,46 3.009,47 1,48 3.955,49 6.705,50 0.231,52 4.309,53 0.232,54 10.824,55 10.824,56 0.926,57 4.251,58 4.251,59 19.593,60 95,62 3.263,63 27.256,64 1,65 3.391,66 7.24,67 7.24,68 4.121,69 36.022,70 5.269}
{0 CHEMBL1688889,10 1,13 1,14 25.801,16 18.131,17 1,18 11.245,19 11.245,20 11.245,21 4,22 13.202,24 1.296,25 10.842,26 16.309,28 2.355,29 14.505,33 12.722,34 7.743,35 10.184,36 56.186,37 5.999,38 201,39 51,40 3.951,41 4.635,42 7.125,43 4.179,44 4.104,45 8.947,46 3.2,47 1,48 17.25,49 6.487,50 1.528,52 11.122,53 0.21,54 10.005,55 10.005,56 0.735,57 4.232,58 4.232,59 18.338,60 168,62 4.242,63 42.302,64 2,65 3.698,66 6.814,67 6.814,68 5.125,69 36.022,70 5}
{0 CHEMBL170118,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.298,15 1,16 18.352,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.07,23 3,24 1.434,25 11.075,26 16.528,27 1,28 2.436,29 14.719,30 1,31 1,32 1,33 12.932,34 7.964,35 10.396,36 67.65,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.349,43 4.811,44 4.646,45 9.136,46 3.477,47 1,48 36.521,49 6.549,50 1.649,51 1,52 24.875,53 0.183,54 10.394,55 10.394,56 0.798,57 4.173,58 4.173,59 17.99,60 238,61 1,62 4.809,63 57.143,65 4.022,66 6.747,67 6.747,68 5.702,69 42.683,70 8.921}
{0 CHEMBL170543,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.549,16 19.029,17 2,18 13.972,19 13.972,20 13.972,21 6,22 13.327,23 4,24 1.5,25 11.513,26 17.089,27 2,28 2.5,29 15.171,30 2,31 1,32 1,33 13.281,34 8.382,35 10.861,36 71.662,37 6.304,38 273,39 67,40 4.22,41 4.905,42 7.433,43 4.724,44 4.567,45 9.563,46 3.496,47 1,48 33.155,49 6.774,50 1.698,51 1,52 22.859,53 0.177,54 11.107,55 11.107,56 0.973,57 4.485,58 4.485,59 22.358,60 221,61 1,62 4.746,63 54.035,65 4.013,66 7.734,67 7.734,68 5.574,69 59.346,70 8.678}
{0 CHEMBL170717,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.543,15 1,16 18.436,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.222,23 4,24 1.68,25 11.152,26 16.61,27 2,28 2.642,29 14.8,30 1,31 1,32 1,33 13.009,34 8.036,35 10.468,36 72.098,37 6.297,38 271,39 67,40 4.22,41 4.905,42 7.419,43 4.723,44 4.58,45 9.207,46 3.465,47 1,48 31.962,49 6.493,50 1.801,51 1,52 23.378,53 0.178,54 10.134,55 10.134,56 0.714,57 4.182,58 4.182,59 18.15,60 260,61 1,62 4.726,63 54.052,65 4.008,66 6.774,67 6.774,68 5.548,69 59.346,70 8.046}
{0 CHEMBL170829,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.128,15 2,16 18.355,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.184,23 2,24 1.617,25 11.08,26 16.536,27 1,28 2.606,29 14.732,30 1,31 1,32 1,33 12.949,34 7.984,35 10.41,36 68.771,37 6.244,38 257,39 64,40 4.174,41 4.86,42 7.365,43 4.703,44 4.564,45 9.16,46 3.456,47 1,48 31.858,49 6.549,50 1.757,51 1,52 22.317,53 0.184,54 10.394,55 10.394,56 0.759,57 4.167,58 4.167,59 17.904,60 254,61 1,62 4.71,63 53.035,65 3.972,66 6.728,67 6.728,68 5.576,69 42.683,70 8.959}
{0 CHEMBL170892,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.23,16 18.229,17 2,18 10.684,19 10.684,20 10.684,21 5,22 13.059,23 4,24 1.5,25 10.973,26 16.415,27 1,28 2.5,29 14.617,30 2,31 1,32 1,33 12.84,34 7.863,35 10.305,36 66.345,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.309,43 4.739,44 4.569,45 9.038,46 3.485,47 1,48 33.893,49 6.549,50 1.71,51 1,52 23.164,53 0.184,54 10.394,55 10.394,56 0.966,57 4.139,58 4.139,59 17.62,60 226,61 1,62 4.775,63 54.921,65 3.987,66 6.631,67 6.631,68 5.591,69 42.683,70 8.538}
{0 CHEMBL170987,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,13 5,14 12.603,16 18.357,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.106,23 4,24 1.5,25 11.086,26 16.528,27 2,28 2.5,29 14.716,30 2,31 1,32 1,33 12.926,34 7.951,35 10.4,36 70.675,37 6.275,38 265,39 65,40 4.19,41 4.875,42 7.382,43 4.861,44 4.68,45 9.115,46 3.524,47 1,48 39.137,49 6.559,50 1.701,51 1,52 26.684,53 0.176,54 10.446,55 10.446,56 0.992,57 4.179,58 4.179,59 18.137,60 227,61 1,62 4.893,63 57.683,65 4.05,66 6.774,67 6.774,68 5.731,69 42.683,70 7.699}
{0 CHEMBL171468,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.305,15 1,16 18.389,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.253,23 3,24 1.778,25 11.12,26 16.569,27 1,28 2.723,29 14.765,30 1,31 1,32 1,33 12.982,34 8.019,35 10.441,36 73.316,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.397,43 4.771,44 4.631,45 9.187,46 3.478,47 1,48 33.92,49 6.549,50 1.784,51 1,52 23.62,53 0.18,54 10.394,55 10.394,56 0.827,57 4.173,58 4.173,59 17.99,60 262,61 1,62 4.784,63 56.103,65 4.021,66 6.747,67 6.747,68 5.626,69 42.683,70 9.046}
{0 CHEMBL17157,11 2,13 2,16 19.222,17 1,18 15.416,19 15.416,20 15.416,21 4,22 13.288,24 1.5,25 11.544,26 17.212,28 2.5,29 15.223,33 13.265,34 8.45,35 10.925,36 56.983,37 6.071,38 216,39 54,40 4.007,41 4.691,42 7.225,43 4.275,44 4.078,45 9.613,46 3.366,48 22.411,49 7.111,50 1.5,52 15.724,53 0.2,54 11.658,55 11.658,56 1.422,57 4.64,58 4.64,59 23.374,60 170,62 4.424,63 49.143,65 3.879,66 8.098,67 8.098,68 5.216,69 85.367,70 5.957}
{0 CHEMBL171911,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.603,16 18.353,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.107,23 4,24 1.5,25 11.08,26 16.526,27 2,28 2.5,29 14.715,30 2,31 1,33 12.927,34 7.951,35 10.397,36 72.069,37 6.29,38 269,39 66,40 4.205,41 4.89,42 7.394,43 4.827,44 4.662,45 9.112,46 3.536,47 1,48 36.986,49 6.548,50 1.711,51 5,52 25.033,53 0.174,54 10.387,55 10.387,56 1.056,57 4.179,58 4.179,59 18.137,60 275,61 1,62 4.861,63 59.444,65 4.076,66 6.774,67 6.774,68 5.694,69 42.683,70 6.979}
{0 CHEMBL171958,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.633,15 1,16 18.463,17 2,18 11.112,19 11.112,20 11.112,21 7,22 13.28,23 4,24 1.808,25 11.212,26 16.648,27 2,28 2.771,29 14.849,30 1,31 1,32 1,33 13.071,34 8.125,35 10.549,36 80.471,37 6.412,38 304,39 75,40 4.331,41 5.017,42 7.528,43 4.883,44 4.737,45 9.289,46 3.62,47 1,48 38.29,49 6.549,50 2.096,51 1,52 26.616,53 0.166,54 10.394,55 10.394,56 0.795,57 4.182,58 4.182,59 18.151,60 339,61 1,62 4.895,63 62.597,65 4.147,66 6.774,67 6.774,68 5.736,69 42.683,70 9.699}
{0 CHEMBL172004,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.144,15 1,16 18.368,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.244,23 2,24 1.617,25 11.094,26 16.55,27 1,28 2.693,29 14.747,30 1,31 1,32 1,33 12.965,34 8.003,35 10.422,36 72.35,37 6.263,38 262,39 65,40 4.19,41 4.875,42 7.381,43 4.724,44 4.585,45 9.171,46 3.458,47 1,48 32.299,49 6.549,50 1.757,51 1,52 22.57,53 0.182,54 10.394,55 10.394,56 0.83,57 4.167,58 4.167,59 17.904,60 282,61 1,62 4.73,63 54.342,65 3.993,66 6.728,67 6.728,68 5.58,69 42.683,70 8.509}
{0 CHEMBL172013,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.146,15 1,16 18.551,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.335,23 2,24 1.757,25 11.26,26 16.725,27 1,28 2.693,29 14.912,30 1,31 1,32 1,33 13.118,34 8.242,35 10.659,36 74.369,37 6.33,38 280,39 71,40 4.277,41 4.963,42 7.467,43 4.734,44 4.613,45 9.425,46 3.456,47 1,48 32.311,49 6.549,50 1.974,51 1,52 23.04,53 0.178,54 10.394,55 10.394,56 0.587,57 4.167,58 4.167,59 17.904,60 286,61 1,62 4.736,63 55.126,65 4.022,66 6.728,67 6.728,68 5.629,69 42.683,70 9.097}
{0 CHEMBL172019,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.138,15 1,16 18.751,17 2,18 11.657,19 11.657,20 11.657,21 5,22 13.381,23 2,24 1.757,25 11.348,26 16.885,27 1,28 2.693,29 15.036,30 1,31 1,32 1,33 13.208,34 8.311,35 10.753,36 73.176,37 6.323,38 278,39 70,40 4.263,41 4.949,42 7.462,43 4.729,44 4.606,45 9.507,46 3.458,47 1,48 32.281,49 6.728,50 1.971,51 1,52 22.609,53 0.18,54 10.919,55 10.919,56 0.76,57 4.172,58 4.172,59 18.642,60 260,61 1,62 4.735,63 54.671,65 4.015,66 7.111,67 7.111,68 5.606,69 42.683,70 8.699}
{0 CHEMBL172079,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.62,15 1,16 18.415,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.226,23 4,24 1.682,25 11.158,26 16.596,27 2,28 2.644,29 14.793,30 1,31 1,32 1,33 13.011,34 8.042,35 10.476,36 76.881,37 6.358,38 288,39 71,40 4.277,41 4.963,42 7.469,43 4.871,44 4.725,45 9.204,46 3.515,47 1,48 38.023,49 6.549,50 1.808,51 1,52 26.302,53 0.17,54 10.394,55 10.394,56 0.79,57 4.182,58 4.182,59 18.151,60 352,61 1,62 4.885,63 61.597,65 4.115,66 6.774,67 6.774,68 5.732,69 42.683,70 9}
{0 CHEMBL172090,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.333,15 1,16 18.481,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.287,23 3,24 1.778,25 11.199,26 16.659,27 1,28 2.723,29 14.851,30 1,31 1,32 1,33 13.063,34 8.104,35 10.517,36 73.962,37 6.33,38 280,39 69,40 4.248,41 4.934,42 7.446,43 4.815,44 4.68,45 9.269,46 3.478,47 1,48 35.475,49 6.549,50 2.057,51 1,52 24.321,53 0.176,54 10.395,55 10.395,56 0.802,57 4.173,58 4.173,59 17.99,60 281,61 1,62 4.835,63 59.29,65 4.063,66 6.747,67 6.747,68 5.688,69 42.683,70 8.824}
{0 CHEMBL172296,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.402,15 1,16 18.814,17 2,18 12.75,19 12.75,20 12.75,21 6,22 13.457,23 2,24 1.798,25 11.42,26 16.937,27 1,28 2.753,29 15.08,30 1,31 1,32 1,33 13.248,34 8.35,35 10.803,36 79.669,37 6.399,38 300,39 75,40 4.331,41 5.017,42 7.533,43 4.859,44 4.718,45 9.538,46 3.585,47 1,48 36.807,49 6.559,50 2.1,51 1,52 25.732,53 0.17,54 10.426,55 10.426,56 0.806,57 4.42,58 4.42,59 20.393,60 329,61 1,62 4.851,63 62.381,65 4.132,66 7.371,67 7.371,68 5.698,69 42.683,70 9.222}
{0 CHEMBL172322,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.369,15 1,16 18.817,17 2,18 12.75,19 12.75,20 12.75,21 7,22 13.428,23 2,24 1.798,25 11.422,26 16.938,27 1,28 2.753,29 15.079,30 1,31 1,32 1,33 13.244,34 8.35,35 10.808,36 76.216,37 6.358,38 288,39 72,40 4.29,41 4.977,42 7.494,43 4.793,44 4.662,45 9.55,46 3.483,47 1,48 34.265,49 6.559,50 2.023,51 1,52 23.738,53 0.176,54 10.426,55 10.426,56 0.724,57 4.42,58 4.42,59 20.393,60 248,61 1,62 4.785,63 56.768,64 1,65 4.045,66 7.371,67 7.371,68 5.657,69 42.683,70 9.155}
{0 CHEMBL172327,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.64,15 1,16 18.416,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.23,23 4,24 1.682,25 11.161,26 16.597,27 2,28 2.645,29 14.795,30 1,31 1,32 1,33 13.015,34 8.042,35 10.48,36 79.413,37 6.385,38 296,39 73,40 4.304,41 4.99,42 7.492,43 4.923,44 4.769,45 9.204,46 3.522,47 1,48 40.546,49 6.549,50 1.808,51 1,52 27.941,53 0.167,54 10.394,55 10.394,56 0.865,57 4.182,58 4.182,59 18.151,60 414,61 1,62 4.946,63 65.12,65 4.164,66 6.774,67 6.774,68 5.793,69 42.683,70 9.097}
{0 CHEMBL172371,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.452,15 1,16 19.16,17 2,18 14.952,19 14.952,20 14.952,21 5,22 13.38,23 2,24 1.621,25 11.559,26 17.182,27 1,28 2.61,29 15.233,30 1,31 2,32 1,33 13.319,34 8.444,35 10.906,36 68.942,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.402,43 4.779,44 4.629,45 9.61,46 3.464,47 1,48 34.539,49 6.555,50 1.757,51 1,52 24.043,53 0.184,54 10.404,55 10.404,56 1.004,57 4.61,58 4.61,59 22.867,60 238,61 1,62 4.771,63 54.859,65 3.994,66 8.038,67 8.038,68 5.634,69 42.683,70 8.796}
{0 CHEMBL172436,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.308,15 1,16 19.059,17 2,18 11.964,19 11.964,20 11.964,21 5,22 13.59,23 3,24 1.985,25 11.601,26 17.171,27 1,28 2.874,29 15.299,30 1,31 1,32 1,33 13.446,34 8.587,35 11.039,36 80.57,37 6.435,38 311,39 79,40 4.382,41 5.069,42 7.59,43 4.803,44 4.704,45 9.796,46 3.479,47 1,48 34.071,49 7.052,50 2.065,51 1,52 24.459,53 0.173,54 11.446,55 11.446,56 0.747,57 4.279,58 4.279,59 19.271,60 234,61 1,62 4.812,63 58.006,65 4.088,66 7.183,67 7.183,68 5.707,69 42.683,70 8.678}
{0 CHEMBL172551,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.136,16 18.309,17 2,18 10.91,19 10.91,20 10.91,21 5,22 13.074,23 2,24 1.5,25 11.022,26 16.481,27 1,28 2.5,29 14.67,30 2,31 1,32 1,33 12.879,34 7.908,35 10.346,36 64.863,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.299,43 4.706,44 4.538,45 9.08,46 3.454,47 1,48 32.571,49 6.549,50 1.621,51 1,52 22.214,53 0.186,54 10.394,55 10.394,56 1.002,57 4.164,58 4.164,59 17.875,60 215,61 1,62 4.713,63 53.16,65 3.958,66 6.727,67 6.727,68 5.561,69 42.683,70 8.553}
{0 CHEMBL172659,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.54,16 18.229,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13,23 4,24 1.5,25 10.972,26 16.41,27 2,28 2.5,29 14.608,30 2,31 1,32 1,33 12.828,34 7.844,35 10.292,36 67.755,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.33,43 4.704,44 4.545,45 9.006,46 3.503,47 1,48 32.14,49 6.482,50 1.5,51 1,52 22.101,53 0.179,54 10.094,55 10.094,56 0.915,57 4.179,58 4.179,59 18.136,60 250,61 1,62 4.712,63 54.16,65 3.999,66 6.774,67 6.774,68 5.538,69 59.346,70 8.658}
{0 CHEMBL172721,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,13 5,14 12.593,16 18.34,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.094,23 4,24 1.5,25 11.065,26 16.511,27 2,28 2.5,29 14.7,30 2,31 1,32 1,33 12.911,34 7.932,35 10.384,36 71.016,37 6.271,38 264,39 65,40 4.19,41 4.875,42 7.378,43 4.816,44 4.654,45 9.099,46 3.524,47 1,48 36.03,49 6.544,50 1.711,51 1,52 24.442,53 0.176,54 10.369,55 10.369,56 0.945,57 4.179,58 4.179,59 18.137,60 252,61 1,62 4.849,63 57.683,65 4.05,66 6.774,67 6.774,68 5.663,69 42.683,70 7.638}
{0 CHEMBL172761,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.598,16 18.448,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.244,23 4,24 1.5,25 11.162,26 16.618,27 2,28 2.665,29 14.803,30 2,31 1,32 1,33 13.008,34 8.042,35 10.473,36 74.992,37 6.308,38 274,39 67,40 4.22,41 4.905,42 7.42,43 4.817,44 4.648,45 9.199,46 3.499,47 1,48 37.326,49 6.586,50 1.711,51 1,52 25.549,53 0.175,54 10.531,55 10.531,56 0.973,57 4.179,58 4.179,59 18.137,60 283,61 1,62 4.852,63 57.165,65 4.049,66 6.774,67 6.774,68 5.686,69 42.683,70 7.796}
{0 CHEMBL172806,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.379,15 1,16 18.812,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.418,23 2,24 1.798,25 11.412,26 16.933,27 1,28 2.753,29 15.074,30 1,31 1,32 1,33 13.239,34 8.35,35 10.793,36 75.313,37 6.344,38 284,39 71,40 4.277,41 4.963,42 7.48,43 4.828,44 4.694,45 9.538,46 3.482,47 1,48 35.695,49 6.559,50 2.057,51 1,52 24.413,53 0.178,54 10.426,55 10.426,56 0.765,57 4.42,58 4.42,59 20.393,60 281,61 1,62 4.828,63 59.29,65 4.063,66 7.371,67 7.371,68 5.699,69 42.683,70 8.921}
{0 CHEMBL172820,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.351,15 1,16 18.747,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.388,23 2,24 1.784,25 11.348,26 16.866,27 1,28 2.753,29 15.006,30 1,31 1,32 1,33 13.171,34 8.284,35 10.736,36 74.706,37 6.297,38 271,39 68,40 4.234,41 4.92,42 7.433,43 4.785,44 4.645,45 9.476,46 3.482,47 1,48 34.115,49 6.559,50 1.798,51 1,52 23.698,53 0.181,54 10.426,55 10.426,56 0.788,57 4.42,58 4.42,59 20.393,60 262,61 1,62 4.776,63 56.103,65 4.021,66 7.371,67 7.371,68 5.638,69 42.683,70 9}
{0 CHEMBL172845,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.607,16 19.253,17 2,18 15.538,19 15.538,20 15.538,21 7,22 13.433,23 4,24 1.5,25 11.72,26 17.272,27 2,28 2.5,29 15.317,30 2,31 1,32 1,33 13.395,34 8.572,35 11.068,36 73.259,37 6.347,38 285,39 69,40 4.248,41 4.934,42 7.476,43 4.764,44 4.594,45 9.743,46 3.558,47 1,48 35.355,49 6.774,50 1.702,51 1,52 24.138,53 0.173,54 11.107,55 11.107,56 0.902,57 4.725,58 4.725,59 23.956,60 221,61 1,62 4.82,63 56.921,65 4.061,66 8.056,67 8.056,68 5.639,69 59.346,70 8.357}
{0 CHEMBL172854,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.335,15 1,16 18.721,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.291,23 2,24 1.666,25 11.313,26 16.836,27 1,28 2.636,29 14.97,30 1,31 1,32 1,33 13.13,34 8.242,35 10.702,36 68.931,37 6.252,38 259,39 65,40 4.19,41 4.875,42 7.387,43 4.764,44 4.616,45 9.438,46 3.48,47 1,48 33.848,49 6.559,50 1.798,51 1,52 23.418,53 0.184,54 10.426,55 10.426,56 0.79,57 4.42,58 4.42,59 20.393,60 238,61 1,62 4.757,63 54.859,65 3.994,66 7.371,67 7.371,68 5.624,69 42.683,70 9.097}
{0 CHEMBL172894,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.341,15 1,16 18.486,17 2,18 10.988,19 10.988,20 10.988,21 7,22 13.364,23 3,24 2.049,25 11.212,26 16.664,27 1,28 2.881,29 14.858,30 1,31 1,32 1,33 13.071,34 8.104,35 10.533,36 75.653,37 6.358,38 288,39 71,40 4.277,41 4.963,42 7.478,43 4.823,44 4.684,45 9.274,46 3.494,47 1,48 35.451,49 6.549,50 2.073,51 1,52 24.72,53 0.173,54 10.395,55 10.395,56 0.83,57 4.173,58 4.173,59 17.99,60 275,61 1,62 4.832,63 59.62,65 4.091,66 6.747,67 6.747,68 5.667,69 42.683,70 9.523}
{0 CHEMBL172916,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.334,15 1,16 18.437,17 2,18 10.988,19 10.988,20 10.988,21 6,22 13.262,23 3,24 1.778,25 11.176,26 16.623,27 1,28 2.723,29 14.824,30 1,31 1,32 1,33 13.045,34 8.104,35 10.517,36 75.692,37 6.354,38 287,39 71,40 4.277,41 4.963,42 7.471,43 4.813,44 4.671,45 9.272,46 3.58,47 1,48 35.439,49 6.549,50 2.06,51 1,52 24.615,53 0.173,54 10.394,55 10.394,56 0.815,57 4.173,58 4.173,59 17.99,60 311,61 1,62 4.823,63 59.836,65 4.09,66 6.747,67 6.747,68 5.668,69 42.683,70 9.523}
{0 CHEMBL172944,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.64,15 1,16 18.635,17 2,18 11.112,19 11.112,20 11.112,21 8,22 13.425,23 4,24 1.871,25 11.337,26 16.793,27 2,28 2.771,29 14.967,30 1,31 1,32 1,33 13.161,34 8.197,35 10.635,36 79.385,37 6.409,38 303,39 74,40 4.317,41 5.004,42 7.53,43 4.915,44 4.762,45 9.358,46 3.516,47 1,48 39.707,49 6.736,50 2.038,51 1,52 27.957,53 0.168,54 11.025,55 11.025,56 0.816,57 4.188,58 4.188,59 18.375,60 244,61 1,62 4.917,63 60.62,65 4.124,66 6.774,67 6.774,68 5.75,69 42.683,70 7.796}
{0 CHEMBL173019,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 2,10 1,11 1,12 1,13 4,14 12.339,15 1,16 18.736,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.336,23 2,24 1.667,25 11.332,26 16.854,27 1,28 2.637,29 14.993,30 1,31 1,32 1,33 13.158,34 8.271,35 10.724,36 70.785,37 6.279,38 266,39 67,40 4.22,41 4.905,42 7.418,43 4.77,44 4.63,45 9.466,46 3.48,47 1,48 33.859,49 6.559,50 1.798,51 1,52 23.405,53 0.183,54 10.426,55 10.426,56 0.75,57 4.42,58 4.42,59 20.393,60 266,61 1,62 4.764,63 55.313,65 4.005,66 7.371,67 7.371,68 5.636,69 85.367,70 8.959}
{0 CHEMBL173064,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.551,16 18.312,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.029,23 4,24 1.5,25 11.031,26 16.48,27 2,28 2.5,29 14.665,30 2,31 1,32 1,33 12.872,34 7.892,35 10.339,36 67.799,37 6.229,38 253,39 62,40 4.143,41 4.828,42 7.334,43 4.71,44 4.549,45 9.051,46 3.481,48 32.541,49 6.517,50 1.576,51 1,52 22.619,53 0.179,54 10.25,55 10.25,56 0.935,57 4.179,58 4.179,59 18.137,60 229,61 1,62 4.732,63 53.609,65 3.993,66 6.774,67 6.774,68 5.552,69 42.683,70 8.921}
{0 CHEMBL173091,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.641,15 1,16 18.589,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.359,23 4,24 1.808,25 11.31,26 16.761,27 2,28 2.771,29 14.949,30 1,31 1,32 1,33 13.156,34 8.274,35 10.698,36 80.892,37 6.405,38 302,39 76,40 4.344,41 5.03,42 7.537,43 4.905,44 4.759,45 9.449,46 3.537,47 1,48 38.96,49 6.549,50 2.096,51 1,52 26.963,53 0.169,54 10.394,55 10.394,56 0.751,57 4.182,58 4.182,59 18.151,60 328,61 1,62 4.924,63 65.12,65 4.164,66 6.774,67 6.774,68 5.752,69 42.683,70 9.301}
{0 CHEMBL173095,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.364,15 1,16 18.29,17 2,18 10.707,19 10.707,20 10.707,21 6,22 13.149,23 4,24 1.689,25 11.051,26 16.482,27 2,28 2.646,29 14.69,30 1,31 1,32 1,33 12.918,34 7.936,35 10.393,36 70.466,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.426,43 4.768,44 4.615,45 9.122,46 3.524,47 1,48 34.737,49 6.549,50 1.825,51 1,52 24.23,53 0.177,54 10.394,55 10.394,56 0.829,57 4.147,58 4.147,59 17.669,60 250,61 1,62 4.799,63 55.859,65 4.03,66 6.636,67 6.636,68 5.634,69 42.683,70 8.921}
{0 CHEMBL173202,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.584,15 3,16 18.475,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.284,23 4,24 1.808,25 11.202,26 16.653,27 2,28 2.771,29 14.846,30 1,31 1,32 1,33 13.059,34 8.087,35 10.523,36 76.421,37 6.354,38 287,39 71,40 4.277,41 4.963,42 7.475,43 4.821,44 4.693,45 9.262,46 3.514,47 1,48 35.689,49 6.55,50 1.936,51 1,52 25.452,53 0.173,54 10.398,55 10.398,56 0.729,57 4.182,58 4.182,59 18.151,60 285,61 1,62 4.84,63 57.495,65 4.07,66 6.774,67 6.774,68 5.7,69 42.683,70 8.824}
{0 CHEMBL173254,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.186,15 1,16 18.413,17 2,18 10.919,19 10.919,20 10.919,21 6,22 13.246,23 2,24 1.757,25 11.156,26 16.6,27 1,28 2.693,29 14.803,30 1,31 1,32 1,33 13.026,34 8.055,35 10.494,36 75.582,37 6.351,38 286,39 71,40 4.277,41 4.963,42 7.498,43 4.789,44 4.646,45 9.235,46 3.568,47 1,48 34.724,49 6.549,50 1.974,51 1,52 24.109,53 0.173,54 10.394,55 10.394,56 0.873,57 4.167,58 4.167,59 17.904,60 325,61 1,62 4.804,63 59.836,65 4.09,66 6.728,67 6.728,68 5.651,69 42.683,70 9.222}
{0 CHEMBL173262,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,13 5,14 12.602,16 19.029,17 2,18 13.972,19 13.972,20 13.972,21 6,22 13.327,23 4,24 1.5,25 11.513,26 17.089,27 2,28 2.5,29 15.171,30 2,31 1,32 1,33 13.281,34 8.382,35 10.861,36 71.876,37 6.304,38 273,39 67,40 4.22,41 4.905,42 7.433,43 4.776,44 4.602,45 9.563,46 3.516,47 1,48 35.951,49 6.774,50 1.698,51 1,52 24.33,53 0.177,54 11.107,55 11.107,56 0.882,57 4.558,58 4.558,59 22.358,60 221,61 1,62 4.847,63 57.683,65 4.053,66 7.734,67 7.734,68 5.665,69 59.346,70 7.939}
{0 CHEMBL173308,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.32,15 2,16 18.463,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.278,23 3,24 1.778,25 11.183,26 16.642,27 1,28 2.723,29 14.836,30 1,31 1,32 1,33 13.049,34 8.082,35 10.505,36 74.195,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.442,43 4.8,44 4.665,45 9.257,46 3.478,47 1,48 34.995,49 6.549,50 1.99,51 1,52 24.329,53 0.176,54 10.395,55 10.395,56 0.779,57 4.173,58 4.173,59 17.99,60 318,61 1,62 4.811,63 58.773,65 4.062,66 6.747,67 6.747,68 5.667,69 42.683,70 9.155}
{0 CHEMBL173400,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.341,15 1,16 18.486,17 2,18 10.988,19 10.988,20 10.988,21 7,22 13.364,23 3,24 2.049,25 11.212,26 16.664,27 1,28 2.881,29 14.858,30 1,31 1,32 1,33 13.071,34 8.104,35 10.533,36 75.653,37 6.358,38 288,39 71,40 4.277,41 4.963,42 7.478,43 4.823,44 4.684,45 9.274,46 3.494,47 1,48 35.451,49 6.549,50 2.073,51 1,52 24.72,53 0.173,54 10.395,55 10.395,56 0.83,57 4.173,58 4.173,59 17.99,60 275,61 1,62 4.832,63 59.62,65 4.091,66 6.747,67 6.747,68 5.667,69 42.683,70 9.699}
{0 CHEMBL173479,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.658,15 1,16 18.454,17 2,18 11.112,19 11.112,20 11.112,21 7,22 13.327,23 4,24 2.015,25 11.21,26 16.64,27 2,28 2.86,29 14.843,30 1,31 1,32 1,33 13.068,34 8.093,35 10.532,36 84.439,37 6.45,38 316,39 78,40 4.369,41 5.056,42 7.563,43 4.918,44 4.772,45 9.254,46 3.623,47 1,48 39.762,49 6.549,50 2.099,51 1,52 27.914,53 0.161,54 10.394,55 10.394,56 0.874,57 4.182,58 4.182,59 18.151,60 388,61 1,62 4.949,63 65.597,65 4.194,66 6.774,67 6.774,68 5.766,69 42.683,70 9.301}
{0 CHEMBL173482,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.303,15 1,16 18.386,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.252,23 3,24 1.649,25 11.114,26 16.567,27 1,28 2.723,29 14.763,30 1,31 1,32 1,33 12.98,34 8.019,35 10.437,36 73.273,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.397,43 4.769,44 4.629,45 9.185,46 3.479,47 1,48 33.873,49 6.549,50 1.778,51 1,52 23.608,53 0.18,54 10.394,55 10.394,56 0.828,57 4.173,58 4.173,59 17.99,60 295,61 1,62 4.783,63 56.103,65 4.021,66 6.747,67 6.747,68 5.622,69 42.683,70 8.886}
{0 CHEMBL173492,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.344,15 1,16 18.721,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.23,23 2,24 1.434,25 11.313,26 16.836,27 1,28 2.436,29 14.97,30 1,31 1,32 1,33 13.13,34 8.242,35 10.702,36 68.996,37 6.252,38 259,39 65,40 4.19,41 4.875,42 7.387,43 4.823,44 4.661,45 9.438,46 3.48,47 1,48 36.775,49 6.559,50 1.667,51 1,52 24.982,53 0.184,54 10.426,55 10.426,56 0.765,57 4.42,58 4.42,59 20.393,60 238,61 1,62 4.801,63 57.143,65 4.022,66 7.371,67 7.371,68 5.713,69 42.683,70 8.959}
{0 CHEMBL173583,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.183,15 1,16 18.371,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.203,23 2,24 1.642,25 11.102,26 16.554,27 1,28 2.638,29 14.752,30 1,31 1,32 1,33 12.972,34 8.003,35 10.431,36 73.657,37 6.308,38 274,39 68,40 4.234,41 4.92,42 7.418,43 4.814,44 4.664,45 9.173,46 3.494,47 1,48 36.168,49 6.549,50 1.757,51 1,52 24.912,53 0.176,54 10.394,55 10.394,56 0.888,57 4.167,58 4.167,59 17.904,60 366,61 1,62 4.829,63 60.597,65 4.082,66 6.728,67 6.728,68 5.692,69 42.683,70 9.301}
{0 CHEMBL173609,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.602,16 18.357,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.106,23 4,24 1.5,25 11.086,26 16.528,27 2,28 2.5,29 14.716,30 2,31 1,33 12.926,34 7.951,35 10.4,36 70.721,37 6.275,38 265,39 65,40 4.19,41 4.875,42 7.382,43 4.856,44 4.676,45 9.115,46 3.535,47 1,48 38.998,49 6.559,50 1.701,51 5,52 26.555,53 0.176,54 10.446,55 10.446,56 1.028,57 4.179,58 4.179,59 18.137,60 227,61 1,62 4.893,63 57.683,65 4.05,66 6.774,67 6.774,68 5.732,69 42.683,70 7.108}
{0 CHEMBL173630,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 35.779,15 1,16 18.751,17 2,18 11.657,19 11.657,20 11.657,21 5,22 13.579,23 2,24 1.757,25 11.348,26 16.885,27 1,28 2.693,29 15.036,30 1,31 1,32 1,33 13.208,34 8.311,35 10.753,36 75.662,37 6.323,38 278,39 70,40 4.263,41 4.949,42 7.462,43 4.771,44 4.63,45 9.507,46 3.52,47 1,48 33.791,49 6.728,50 1.974,51 1,52 23.903,53 0.18,54 10.919,55 10.919,56 0.804,57 4.18,58 4.18,59 18.642,60 260,61 1,62 4.768,63 57.415,64 1,65 4.049,66 7.111,67 7.111,68 5.631,69 42.683,70 8.456}
{0 CHEMBL174004,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.356,15 1,16 18.483,17 2,18 10.988,19 10.988,20 10.988,21 6,22 13.332,23 3,24 1.778,25 11.209,26 16.663,27 1,28 2.723,29 14.858,30 1,31 1,32 1,33 13.073,34 8.104,35 10.53,36 78.346,37 6.385,38 296,39 73,40 4.304,41 4.99,42 7.501,43 4.847,44 4.704,45 9.269,46 3.577,47 1,48 36.614,49 6.549,50 2.06,51 1,52 25.657,53 0.169,54 10.394,55 10.394,56 0.841,57 4.173,58 4.173,59 17.99,60 329,61 1,62 4.858,63 62.381,65 4.132,66 6.747,67 6.747,68 5.687,69 42.683,70 9.523}
{0 CHEMBL174214,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.384,15 1,16 19.022,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.508,23 2,24 1.798,25 11.547,26 17.12,27 1,28 2.753,29 15.235,30 1,31 1,32 1,33 13.372,34 8.525,35 10.985,36 76.106,37 6.354,38 287,39 73,40 4.304,41 4.99,42 7.51,43 4.862,44 4.714,45 9.733,46 3.504,47 1,48 37.63,49 7.111,50 1.986,51 1,52 25.691,53 0.179,54 11.657,55 11.657,56 0.753,57 4.42,58 4.42,59 20.393,60 273,61 1,62 4.837,63 61.904,65 4.1,66 7.371,67 7.371,68 5.731,69 42.683,70 9.398}
{0 CHEMBL174283,1 5,2 2,3 1,4 3,5 2,6 2,7 2,8 2,9 2,10 1,11 2,12 1,13 5,14 24.271,16 18.372,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.156,23 6,24 1.702,25 11.109,26 16.546,27 5,28 2.693,29 14.738,30 4,31 1,32 3,33 12.952,34 7.976,35 10.425,36 74.472,37 6.312,38 275,39 68,40 4.234,41 4.92,42 7.421,43 4.835,44 4.691,45 9.143,46 3.514,47 1,48 36.415,49 6.559,50 1.921,51 1,52 25.278,53 0.173,54 10.445,55 10.445,56 0.683,57 4.179,58 4.179,59 18.137,60 252,61 2,62 4.845,63 57.83,65 4.064,66 6.774,67 6.774,68 5.699,69 85.367,70 7.481}
{0 CHEMBL174303,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.531,15 1,16 18.343,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.144,23 4,24 1.5,25 11.073,26 16.524,27 2,28 2.5,29 14.721,30 1,31 1,32 1,33 12.938,34 7.964,35 10.394,36 70.315,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.385,43 4.696,44 4.554,45 9.128,46 3.464,47 1,48 31.654,49 6.489,50 1.685,51 1,52 22.583,53 0.179,54 10.124,55 10.124,56 0.761,57 4.182,58 4.182,59 18.15,60 267,61 1,62 4.708,63 53.194,65 3.993,66 6.774,67 6.774,68 5.54,69 59.346,70 8.398}
{0 CHEMBL174304,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.13,15 1,16 18.334,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.132,23 2,24 1.616,25 11.054,26 16.51,27 1,28 2.606,29 14.703,30 1,31 1,32 1,33 12.916,34 7.947,35 10.38,36 66.652,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.332,43 4.704,44 4.556,45 9.122,46 3.456,47 1,48 32.078,49 6.549,50 1.757,51 1,52 22.299,53 0.185,54 10.394,55 10.394,56 0.83,57 4.167,58 4.167,59 17.904,60 226,61 1,62 4.711,63 53.097,65 3.965,66 6.728,67 6.728,68 5.57,69 42.683,70 8.824}
{0 CHEMBL174457,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.289,15 1,16 18.352,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.141,23 3,24 1.649,25 11.075,26 16.528,27 1,28 2.628,29 14.719,30 1,31 1,32 1,33 12.932,34 7.964,35 10.396,36 67.583,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.349,43 4.75,44 4.601,45 9.136,46 3.476,47 1,48 33.634,49 6.549,50 1.778,51 1,52 23.333,53 0.183,54 10.394,55 10.394,56 0.828,57 4.173,58 4.173,59 17.99,60 238,61 1,62 4.765,63 54.859,65 3.994,66 6.747,67 6.747,68 5.612,69 42.683,70 9.046}
{0 CHEMBL174904,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.372,15 1,16 18.812,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.457,23 2,24 1.798,25 11.412,26 16.933,27 1,28 2.753,29 15.074,30 1,31 1,32 1,33 13.239,34 8.35,35 10.793,36 77.853,37 6.344,38 284,39 71,40 4.277,41 4.963,42 7.48,43 4.816,44 4.682,45 9.538,46 3.483,47 1,48 35.215,49 6.559,50 2.098,51 1,52 24.36,53 0.178,54 10.426,55 10.426,56 0.756,57 4.42,58 4.42,59 20.393,60 281,61 1,62 4.802,63 58.319,65 4.055,66 7.371,67 7.371,68 5.678,69 42.683,70 9.046}
{0 CHEMBL174927,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.393,15 1,16 18.863,17 2,18 12.75,19 12.75,20 12.75,21 7,22 13.507,23 2,24 1.899,25 11.461,26 16.98,27 1,28 2.767,29 15.115,30 1,31 1,32 1,33 13.275,34 8.38,35 10.834,36 77.018,37 6.375,38 293,39 73,40 4.304,41 4.99,42 7.515,43 4.851,44 4.714,45 9.569,46 3.49,47 1,48 35.836,49 6.562,50 2.102,51 1,52 25.037,53 0.174,54 10.438,55 10.438,56 0.795,57 4.42,58 4.42,59 20.393,60 244,61 1,62 4.832,63 59.62,65 4.091,66 7.371,67 7.371,68 5.678,69 42.683,70 9.699}
{0 CHEMBL174996,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.354,15 1,16 18.755,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.364,23 2,24 1.798,25 11.362,26 16.877,27 1,28 2.753,29 15.021,30 1,31 1,32 1,33 13.19,34 8.302,35 10.751,36 75.342,37 6.333,38 281,39 71,40 4.277,41 4.963,42 7.47,43 4.794,44 4.665,45 9.495,46 3.481,47 1,48 34.392,49 6.559,50 1.996,51 1,52 24.128,53 0.178,54 10.426,55 10.426,56 0.598,57 4.42,58 4.42,59 20.393,60 312,61 1,62 4.782,63 56.95,65 4.043,66 7.371,67 7.371,68 5.675,69 42.683,70 9.301}
{0 CHEMBL175079,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.326,15 1,16 18.481,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.331,23 3,24 1.778,25 11.199,26 16.659,27 1,28 2.723,29 14.851,30 1,31 1,32 1,33 13.063,34 8.104,35 10.517,36 76.419,37 6.33,38 280,39 69,40 4.248,41 4.934,42 7.446,43 4.803,44 4.668,45 9.269,46 3.479,47 1,48 35.017,49 6.549,50 2.06,51 1,52 24.278,53 0.176,54 10.395,55 10.395,56 0.792,57 4.173,58 4.173,59 17.99,60 281,61 1,62 4.809,63 58.319,65 4.055,66 6.747,67 6.747,68 5.666,69 42.683,70 9.301}
{0 CHEMBL175327,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.252,15 1,16 18.298,17 2,18 10.708,19 10.708,20 10.708,21 6,22 13.158,23 4,24 1.688,25 11.052,26 16.49,27 1,28 2.646,29 14.697,30 1,31 1,32 1,33 12.924,34 7.974,35 10.404,36 69.625,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.381,43 4.718,44 4.572,45 9.151,46 3.52,47 1,48 32.519,49 6.549,50 1.824,51 1,52 22.786,53 0.179,54 10.394,55 10.394,56 0.837,57 4.148,58 4.148,59 17.671,60 238,61 1,62 4.747,63 54.097,65 4.002,66 6.636,67 6.636,68 5.573,69 42.683,70 8.921}
{0 CHEMBL175341,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.323,15 1,16 18.487,17 2,18 10.988,19 10.988,20 10.988,21 7,22 13.298,23 3,24 1.778,25 11.211,26 16.665,27 1,28 2.723,29 14.857,30 1,31 1,32 1,33 13.069,34 8.104,35 10.537,36 74.868,37 6.344,38 284,39 70,40 4.263,41 4.949,42 7.46,43 4.78,44 4.648,45 9.284,46 3.479,47 1,48 34.064,49 6.549,50 2.023,51 1,52 23.653,53 0.175,54 10.395,55 10.395,56 0.76,57 4.173,58 4.173,59 17.99,60 248,61 1,62 4.792,63 56.768,64 1,65 4.045,66 6.747,67 6.747,68 5.645,69 42.683,70 9.301}
{0 CHEMBL175348,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.161,15 2,16 18.447,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.271,23 2,24 1.757,25 11.164,26 16.627,27 1,28 2.693,29 14.821,30 1,31 1,32 1,33 13.035,34 8.067,35 10.492,36 73.225,37 6.308,38 274,39 68,40 4.234,41 4.92,42 7.427,43 4.756,44 4.622,45 9.244,46 3.457,47 1,48 33.432,49 6.549,50 1.974,51 1,52 23.295,53 0.178,54 10.394,55 10.394,56 0.781,57 4.167,58 4.167,59 17.904,60 304,61 1,62 4.76,63 57.012,65 4.036,66 6.728,67 6.728,68 5.628,69 42.683,70 9.398}
{0 CHEMBL175394,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.631,15 1,16 18.416,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.228,23 4,24 1.682,25 11.159,26 16.596,27 2,28 2.644,29 14.794,30 1,31 1,32 1,33 13.013,34 8.042,35 10.478,36 78.028,37 6.372,38 292,39 72,40 4.29,41 4.977,42 7.48,43 4.891,44 4.742,45 9.204,46 3.516,47 1,48 39.061,49 6.549,50 1.808,51 1,52 26.956,53 0.169,54 10.394,55 10.394,56 0.873,57 4.182,58 4.182,59 18.151,60 383,61 1,62 4.917,63 63.359,65 4.14,66 6.774,67 6.774,68 5.759,69 42.683,70 9.155}
{0 CHEMBL175424,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.388,15 1,16 18.747,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.352,23 2,24 1.667,25 11.35,26 16.867,27 1,28 2.639,29 15.009,30 1,31 1,32 1,33 13.176,34 8.284,35 10.739,36 75.959,37 6.34,38 283,39 71,40 4.277,41 4.963,42 7.468,43 4.868,44 4.718,45 9.475,46 3.501,47 1,48 37.94,49 6.559,50 1.798,51 1,52 26.034,53 0.175,54 10.426,55 10.426,56 0.847,57 4.42,58 4.42,59 20.393,60 382,61 1,62 4.87,63 62.359,65 4.107,66 7.371,67 7.371,68 5.74,69 42.683,70 9.097}
{0 CHEMBL1760024,13 1,14 12.559,16 18.568,17 1,18 12.405,19 12.405,20 12.405,21 3,22 13.129,24 1,25 11.075,26 16.665,28 2.076,29 14.779,33 12.917,34 8.046,35 10.476,36 57.351,37 5.989,38 199,39 50,40 3.932,41 4.615,42 7.125,43 4.352,44 4.186,45 9.216,46 3.17,48 21.284,49 6.674,50 1.112,51 2,52 16.327,53 0.208,54 10.573,55 10.573,56 0.753,57 4.336,58 4.336,59 19.589,60 152,62 4.396,63 44.421,65 3.752,66 7.293,67 7.293,68 5.154,69 18.011,70 5.754}
{0 CHEMBL1762143,13 1,14 24.327,16 18.025,17 1,18 10.912,19 10.912,20 10.912,21 3,22 13.03,24 1,25 10.695,26 16.196,28 2,29 14.384,33 12.594,34 7.6,35 10.016,36 54.864,37 5.938,38 189,39 47,40 3.871,41 4.554,42 7.048,43 4.176,44 3.97,45 8.757,46 3.149,48 20.509,49 6.501,50 1.081,51 2,52 15.008,53 0.21,54 10.185,55 10.185,56 1.126,57 4.14,58 4.14,59 18.034,60 143,62 4.304,63 43.16,65 3.726,66 6.775,67 6.775,68 5.12,69 18.011,70 6.745}
{0 CHEMBL1762303,13 2,14 24.594,16 18.127,17 1,18 10.912,19 10.912,20 10.912,21 3,22 13.071,24 1,25 10.781,26 16.297,28 2,29 14.481,33 12.686,34 7.695,35 10.102,36 55.608,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.079,43 4.295,44 4.113,45 8.858,46 3.141,48 21.211,49 6.503,50 1.036,52 15.364,53 0.211,54 10.189,55 10.189,56 1.12,57 4.141,58 4.141,59 18.036,60 143,61 1,62 4.354,63 43.16,65 3.726,66 6.775,67 6.775,68 5.177,69 18.011,70 4.769}
{0 CHEMBL1762304,13 2,14 24.486,16 18.128,17 1,18 10.912,19 10.912,20 10.912,21 3,22 13.074,24 1,25 10.783,26 16.298,28 2,29 14.483,33 12.688,34 7.695,35 10.104,36 56.883,37 5.979,38 197,39 49,40 3.912,41 4.595,42 7.096,43 4.291,44 4.106,45 8.858,46 3.184,48 21.914,49 6.503,50 1.093,51 2,52 15.932,53 0.208,54 10.189,55 10.189,56 1.08,57 4.141,58 4.141,59 18.034,60 152,62 4.375,63 44.921,65 3.762,66 6.775,67 6.775,68 5.19,69 18.011,70 6.538}
{0 CHEMBL1762306,13 2,14 24.97,16 18.228,17 1,18 11.163,19 11.163,20 11.163,21 3,22 13.122,24 1,25 10.87,26 16.394,28 2.093,29 14.575,33 12.775,34 7.779,35 10.19,36 58.573,37 6.019,38 205,39 51,40 3.951,41 4.635,42 7.141,43 4.37,44 4.172,45 8.951,46 3.234,48 24.471,49 6.503,50 1.194,51 2,52 17.605,53 0.206,54 10.189,55 10.189,56 1.173,57 4.179,58 4.179,59 18.424,60 161,62 4.502,63 46.682,64 1,65 3.793,66 6.847,67 6.847,68 5.292,70 5.25}
{0 CHEMBL1762307,13 2,14 12.455,16 18.015,17 1,18 10.573,19 10.573,20 10.573,21 3,22 12.921,24 1,25 10.687,26 16.191,28 2,29 14.382,33 12.593,34 7.603,35 10.007,36 55.09,37 5.938,38 189,39 47,40 3.871,41 4.554,42 7.048,43 4.237,44 4.055,45 8.753,46 3.14,48 19.975,49 6.503,50 1.091,51 2,52 15.498,53 0.21,54 10.189,55 10.189,56 0.827,57 4.031,58 4.031,59 17.332,60 143,62 4.326,63 42.659,65 3.716,66 6.674,67 6.674,68 5.081,69 18.011,70 6.886}
{0 CHEMBL1762308,13 1,14 12.58,16 18.854,17 1,18 14.203,19 14.203,20 14.203,21 4,22 13.249,24 1.062,25 11.331,26 16.901,28 2.149,29 14.971,33 13.068,34 8.277,35 10.744,36 58.743,37 6.047,38 211,39 52,40 3.97,41 4.654,42 7.183,43 4.316,44 4.155,45 9.449,46 3.226,48 20.412,49 6.674,50 1.187,51 2,52 15.924,53 0.202,54 10.573,55 10.573,56 0.816,57 4.555,58 4.555,59 21.736,60 152,62 4.369,63 43.659,65 3.763,66 7.702,67 7.702,68 5.108,69 18.011,70 4.67}
{0 CHEMBL1762309,13 2,14 12.435,16 18.172,17 1,18 10.857,19 10.857,20 10.857,21 5,22 13.036,24 1,25 10.842,26 16.337,28 2,29 14.518,33 12.718,34 7.738,35 10.152,36 55.961,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.114,43 4.002,44 3.863,45 8.893,46 3.086,48 13.509,49 6.674,50 1.016,51 2,52 11.199,53 0.208,54 10.573,55 10.573,56 0.766,57 4.125,58 4.125,59 18.035,60 136,62 4.075,63 40.137,65 3.69,66 6.696,67 6.696,68 4.774,69 18.011,70 4.912}
{0 CHEMBL1762311,11 1,13 3,14 12.366,16 17.967,17 1,18 10.573,19 10.573,20 10.573,21 3,22 12.82,24 0.768,25 10.623,26 16.147,28 1.817,29 14.342,33 12.556,34 7.554,35 9.963,36 49.397,37 5.866,38 176,39 44,40 3.807,41 4.489,42 6.989,43 3.968,44 3.815,45 8.724,46 3.005,48 13.46,49 6.396,50 1,51 2,52 11.204,53 0.22,54 9.686,55 9.686,56 0.856,57 4.031,58 4.031,59 17.332,60 140,62 4.024,63 38.892,65 3.635,66 6.674,67 6.674,68 4.738,69 60.694,70 5.47}
{0 CHEMBL1762312,13 3,14 12.53,16 18.073,17 1,18 10.573,19 10.573,20 10.573,21 4,22 12.984,24 1.5,25 10.769,26 16.256,28 2.5,29 14.455,33 12.676,34 7.681,35 10.093,36 59.656,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.172,43 4.423,44 4.244,45 8.83,46 3.15,48 23.041,49 6.52,50 1.5,51 2,52 18.373,53 0.196,54 10.273,55 10.273,56 1,57 4.031,58 4.031,59 17.332,60 164,62 4.516,63 46.415,65 3.823,66 6.674,67 6.674,68 5.202,69 18.011,70 6.886}
{0 CHEMBL1762313,13 2,14 12.538,16 18.073,17 1,18 10.573,19 10.573,20 10.573,21 4,22 12.984,24 1.5,25 10.769,26 16.256,28 2.5,29 14.455,33 12.676,34 7.681,35 10.093,36 59.447,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.172,43 4.444,44 4.258,45 8.83,46 3.15,48 23.432,49 6.52,50 1.5,51 6,52 18.246,53 0.196,54 10.273,55 10.273,56 0.694,57 4.031,58 4.031,59 17.332,60 164,62 4.529,63 46.966,65 3.826,66 6.674,67 6.674,68 5.195,69 18.011,70 7.417}
{0 CHEMBL1762314,13 2,14 12.576,16 19.295,17 1,18 15.29,19 15.29,20 15.29,21 6,22 13.528,24 1.625,25 11.713,26 17.318,28 2.616,29 15.362,33 13.434,34 8.622,35 11.077,36 68.66,37 6.26,38 261,39 65,40 4.19,41 4.875,42 7.419,43 4.41,44 4.331,45 9.783,46 3.237,48 21.379,49 7.111,50 1.784,51 2,52 17.903,53 0.187,54 11.656,55 11.656,56 0.837,57 4.623,58 4.623,59 23.261,60 212,62 4.511,63 47.637,65 3.9,66 7.987,67 7.987,68 5.321,69 18.011,70 7.398}
{0 CHEMBL1762315,13 2,14 12.562,16 19.295,17 1,18 15.29,19 15.29,20 15.29,21 6,22 13.528,24 1.625,25 11.713,26 17.318,28 2.616,29 15.362,33 13.434,34 8.622,35 11.077,36 68.59,37 6.26,38 261,39 65,40 4.19,41 4.875,42 7.419,43 4.358,44 4.292,45 9.783,46 3.193,48 19.878,49 7.111,50 1.784,51 3,52 16.536,53 0.187,54 11.656,55 11.656,56 1.046,57 4.648,58 4.648,59 23.261,60 212,62 4.474,63 46.33,64 1,65 3.878,66 7.987,67 7.987,68 5.261,69 18.011,70 7.523}
{0 CHEMBL1762316,13 3,14 12.525,16 18.57,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.22,24 1.5,25 11.12,26 16.696,28 2.5,29 14.839,33 13.004,34 8.102,35 10.539,36 64.141,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.29,43 4.413,44 4.312,45 9.286,46 3.188,48 22.19,49 6.674,50 1.532,51 2,52 17.361,53 0.191,54 10.573,55 10.573,56 0.897,57 4.18,58 4.18,59 18.616,60 200,62 4.508,63 46.637,65 3.859,66 7.111,67 7.111,68 5.285,69 18.011,70 7.301}
{0 CHEMBL1762317,13 3,14 12.551,16 18.647,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.344,24 1.531,25 11.2,26 16.775,28 2.658,29 14.919,33 13.083,34 8.181,35 10.608,36 69.469,37 6.205,38 247,39 62,40 4.143,41 4.828,42 7.344,43 4.487,44 4.398,45 9.359,46 3.188,48 22.465,49 6.674,50 1.779,51 2,52 17.747,53 0.188,54 10.573,55 10.573,56 0.9,57 4.181,58 4.181,59 18.616,60 224,62 4.578,63 47.881,65 3.89,66 7.111,67 7.111,68 5.343,69 18.011,70 7}
{0 CHEMBL1762318,13 3,14 12.548,16 18.6,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.324,24 1.531,25 11.163,26 16.732,28 2.618,29 14.88,33 13.05,34 8.15,35 10.578,36 69.602,37 6.201,38 246,39 62,40 4.143,41 4.828,42 7.34,43 4.49,44 4.406,45 9.33,46 3.194,48 22.219,49 6.674,50 1.778,51 2,52 17.669,53 0.188,54 10.573,55 10.573,56 0.897,57 4.18,58 4.18,59 18.616,60 224,62 4.553,63 47.881,65 3.89,66 7.111,67 7.111,68 5.317,69 18.011,70 7.301}
{0 CHEMBL1762319,13 3,14 12.54,16 18.631,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.289,24 1.531,25 11.179,26 16.759,28 2.544,29 14.903,33 13.067,34 8.16,35 10.594,36 66.167,37 6.184,38 242,39 61,40 4.127,41 4.812,42 7.327,43 4.453,44 4.348,45 9.347,46 3.188,48 22.356,49 6.674,50 1.779,51 2,52 18.17,53 0.19,54 10.573,55 10.573,56 0.906,57 4.181,58 4.181,59 18.616,60 212,62 4.565,63 47.495,65 3.876,66 7.111,67 7.111,68 5.298,69 18.011,70 6.921}
{0 CHEMBL1762320,13 3,14 12.538,16 18.589,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.27,24 1.531,25 11.149,26 16.72,28 2.544,29 14.867,33 13.036,34 8.134,35 10.567,36 66.032,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.323,43 4.476,44 4.372,45 9.32,46 3.189,48 22.387,49 6.674,50 1.748,51 2,52 18.382,53 0.19,54 10.573,55 10.573,56 0.86,57 4.18,58 4.18,59 18.616,60 212,62 4.548,63 47.495,65 3.876,66 7.111,67 7.111,68 5.301,69 18.011,70 7.222}
{0 CHEMBL1762324,13 3,14 12.523,15 1,16 18.589,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.27,24 1.531,25 11.149,26 16.72,28 2.544,29 14.867,33 13.036,34 8.134,35 10.567,36 66.02,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.323,43 4.408,44 4.34,45 9.32,46 3.188,48 20.794,49 6.674,50 1.748,51 2,52 17.533,53 0.19,54 10.573,55 10.573,56 0.817,57 4.18,58 4.18,59 18.616,60 212,62 4.505,63 46.574,65 3.867,66 7.111,67 7.111,68 5.31,69 18.011,70 7.398}
{0 CHEMBL1762326,13 3,14 12.525,16 18.073,17 1,18 10.573,19 10.573,20 10.573,21 4,22 12.984,24 1.5,25 10.769,26 16.256,28 2.5,29 14.455,33 12.676,34 7.681,35 10.093,36 59.656,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.172,43 4.392,44 4.224,45 8.83,46 3.15,48 21.713,49 6.52,50 1.5,51 2,52 17.322,53 0.196,54 10.273,55 10.273,56 1.01,57 4.031,58 4.031,59 17.332,60 164,62 4.473,63 45.659,64 1,65 3.807,66 6.674,67 6.674,68 5.162,69 18.011,70 6.854}
{0 CHEMBL1762327,13 3,14 12.525,16 18.073,17 1,18 10.573,19 10.573,20 10.573,21 4,22 12.984,24 1.5,25 10.769,26 16.256,28 2.5,29 14.455,33 12.676,34 7.681,35 10.093,36 59.656,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.172,43 4.376,44 4.211,45 8.83,46 3.148,48 20.908,49 6.52,50 1.5,51 2,52 16.845,53 0.196,54 10.273,55 10.273,56 0.94,57 4.031,58 4.031,59 17.332,60 164,62 4.471,63 45.659,65 3.807,66 6.674,67 6.674,68 5.157,69 18.011,70 6.013}
{0 CHEMBL1762329,13 3,14 12.548,16 18.171,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.071,24 1.5,25 10.851,26 16.352,28 2.5,29 14.548,33 12.763,34 7.769,35 10.178,36 61.414,37 6.094,38 221,39 55,40 4.025,41 4.71,42 7.215,43 4.505,44 4.319,45 8.925,46 3.15,48 25.928,49 6.532,50 1.548,51 2,52 20.146,53 0.195,54 10.315,55 10.315,56 1.152,57 4.031,58 4.031,59 17.332,60 176,62 4.569,63 47.421,64 1,65 3.84,66 6.674,67 6.674,68 5.31,69 18.011,70 6.721}
{0 CHEMBL1762330,13 3,14 12.546,16 18.105,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.046,24 1.5,25 10.81,26 16.292,28 2.5,29 14.496,33 12.721,34 7.73,35 10.137,36 61.438,37 6.089,38 220,39 55,40 4.025,41 4.71,42 7.21,43 4.497,44 4.327,45 8.883,46 3.153,48 23.672,49 6.52,50 1.548,51 2,52 18.63,53 0.195,54 10.276,55 10.276,56 0.968,57 4.031,58 4.031,59 17.332,60 176,62 4.533,63 47.421,64 1,65 3.84,66 6.674,67 6.674,68 5.242,69 18.011,70 6.854}
{0 CHEMBL1762331,13 3,14 12.543,16 18.101,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.045,24 1.5,25 10.802,26 16.289,28 2.5,29 14.493,33 12.719,34 7.73,35 10.132,36 61.364,37 6.089,38 220,39 55,40 4.025,41 4.71,42 7.21,43 4.457,44 4.293,45 8.879,46 3.157,48 22.924,49 6.52,50 1.5,51 2,52 18.078,53 0.195,54 10.273,55 10.273,56 1.024,57 4.031,58 4.031,59 17.332,60 176,62 4.502,63 47.421,64 1,65 3.84,66 6.674,67 6.674,68 5.21,69 18.011,70 5.42}
{0 CHEMBL1762332,13 3,14 12.546,16 18.105,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.046,24 1.5,25 10.81,26 16.292,28 2.5,29 14.496,33 12.721,34 7.73,35 10.137,36 61.438,37 6.089,38 220,39 55,40 4.025,41 4.71,42 7.21,43 4.497,44 4.327,45 8.883,46 3.154,48 23.672,49 6.52,50 1.548,51 2,52 18.63,53 0.195,54 10.276,55 10.276,56 0.988,57 4.031,58 4.031,59 17.332,60 176,62 4.533,63 47.421,64 1,65 3.84,66 6.674,67 6.674,68 5.242,69 18.011,70 6.658}
{0 CHEMBL1762333,13 3,14 12.544,16 18.631,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.289,24 1.531,25 11.179,26 16.759,28 2.544,29 14.903,33 13.067,34 8.16,35 10.594,36 65.831,37 6.184,38 242,39 61,40 4.127,41 4.812,42 7.327,43 4.499,44 4.383,45 9.347,46 3.188,48 25.134,49 6.674,50 1.779,51 2,52 19.2,53 0.19,54 10.573,55 10.573,56 0.974,57 4.181,58 4.181,59 18.616,60 212,62 4.562,63 47.642,64 1,65 3.875,66 7.111,67 7.111,68 5.385,69 18.011,70 7.222}
{0 CHEMBL1762334,13 3,14 12.541,16 18.589,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.27,24 1.531,25 11.149,26 16.72,28 2.544,29 14.867,33 13.036,34 8.134,35 10.567,36 65.971,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.323,43 4.491,44 4.391,45 9.32,46 3.191,48 22.933,49 6.674,50 1.748,51 2,52 17.972,53 0.19,54 10.573,55 10.573,56 0.881,57 4.18,58 4.18,59 18.616,60 212,62 4.525,63 47.642,64 1,65 3.875,66 7.111,67 7.111,68 5.323,69 18.011,70 7.301}
{0 CHEMBL1762335,13 3,14 12.541,16 18.589,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.27,24 1.531,25 11.149,26 16.72,28 2.544,29 14.867,33 13.036,34 8.134,35 10.567,36 65.971,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.323,43 4.491,44 4.391,45 9.32,46 3.192,48 22.933,49 6.674,50 1.748,51 2,52 17.972,53 0.19,54 10.573,55 10.573,56 0.897,57 4.18,58 4.18,59 18.616,60 212,62 4.525,63 47.642,64 1,65 3.875,66 7.111,67 7.111,68 5.323,69 18.011,70 7.398}
{0 CHEMBL1762336,13 3,14 12.535,16 18.631,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.289,24 1.531,25 11.179,26 16.759,28 2.544,29 14.903,33 13.067,34 8.16,35 10.594,36 66.167,37 6.184,38 242,39 61,40 4.127,41 4.812,42 7.327,43 4.427,44 4.33,45 9.347,46 3.188,48 21.065,49 6.674,50 1.779,51 2,52 17.316,53 0.19,54 10.573,55 10.573,56 0.906,57 4.18,58 4.18,59 18.616,60 212,62 4.524,63 46.739,64 1,65 3.861,66 7.111,67 7.111,68 5.262,69 18.011,70 6.854}
{0 CHEMBL1762337,13 3,14 12.533,16 18.589,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.27,24 1.531,25 11.149,26 16.72,28 2.544,29 14.867,33 13.036,34 8.134,35 10.567,36 66.032,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.323,43 4.451,44 4.355,45 9.32,46 3.189,48 21.092,49 6.674,50 1.748,51 2,52 17.53,53 0.19,54 10.573,55 10.573,56 0.861,57 4.18,58 4.18,59 18.616,60 212,62 4.507,63 46.739,64 1,65 3.861,66 7.111,67 7.111,68 5.265,69 18.011,70 7.155}
{0 CHEMBL1762338,13 3,14 12.533,16 18.589,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.27,24 1.531,25 11.149,26 16.72,28 2.544,29 14.867,33 13.036,34 8.134,35 10.567,36 66.032,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.323,43 4.451,44 4.355,45 9.32,46 3.189,48 21.092,49 6.674,50 1.748,51 2,52 17.53,53 0.19,54 10.573,55 10.573,56 0.876,57 4.18,58 4.18,59 18.616,60 212,62 4.507,63 46.739,64 1,65 3.861,66 7.111,67 7.111,68 5.265,69 18.011,70 7.699}
{0 CHEMBL1762339,13 3,14 12.545,16 18.35,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.218,24 1.548,25 11.04,26 16.528,28 2.559,29 14.719,33 12.929,34 8.052,35 10.453,36 67.105,37 6.188,38 243,39 62,40 4.143,41 4.828,42 7.328,43 4.44,44 4.347,45 9.22,46 3.163,48 20.76,49 6.522,50 1.75,51 2,52 17.245,53 0.188,54 10.289,55 10.289,56 0.675,57 4.031,58 4.031,59 17.342,60 224,62 4.498,63 47.193,64 1,65 3.87,66 6.674,67 6.674,68 5.284,69 18.011,70 7.523}
{0 CHEMBL1762463,13 3,14 36.481,16 18.589,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.488,24 1.537,25 11.149,26 16.72,28 2.55,29 14.867,33 13.036,34 8.134,35 10.567,36 68.58,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.323,43 4.547,44 4.405,45 9.32,46 3.433,48 23.2,49 6.674,50 1.749,51 2,52 19.508,53 0.19,54 10.573,55 10.573,56 0.904,57 4.187,58 4.187,59 18.616,60 212,62 4.561,63 49.483,64 2,65 3.9,66 7.111,67 7.111,68 5.301,69 18.011,70 8}
{0 CHEMBL1762464,13 3,14 12.52,16 18.57,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.22,24 1.5,25 11.12,26 16.696,28 2.5,29 14.839,33 13.004,34 8.102,35 10.539,36 64.141,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.29,43 4.386,44 4.293,45 9.286,46 3.188,48 20.958,49 6.674,50 1.532,51 2,52 16.527,53 0.191,54 10.573,55 10.573,56 0.911,57 4.18,58 4.18,59 18.616,60 200,62 4.464,63 45.881,64 1,65 3.843,66 7.111,67 7.111,68 5.249,69 18.011,70 7.523}
{0 CHEMBL1762466,13 3,14 12.534,16 18.915,17 1,18 11.691,19 11.691,20 11.691,21 4,22 13.452,24 1.603,25 11.403,26 17.019,28 2.573,29 15.137,33 13.275,34 8.421,35 10.867,36 70.301,37 6.263,38 262,39 67,40 4.22,41 4.905,42 7.425,43 4.481,44 4.45,45 9.623,46 3.195,48 20.835,49 7.111,50 1.779,51 2,52 18.232,53 0.185,54 11.66,55 11.66,56 0.826,57 4.182,58 4.182,59 18.675,60 249,62 4.52,63 47.455,64 1,65 3.899,66 7.116,67 7.116,68 5.359,69 18.011,70 6.886}
{0 CHEMBL1762467,13 3,14 12.543,16 18.6,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.324,24 1.531,25 11.163,26 16.732,28 2.618,29 14.88,33 13.05,34 8.15,35 10.578,36 69.602,37 6.201,38 246,39 62,40 4.143,41 4.828,42 7.34,43 4.465,44 4.389,45 9.33,46 3.194,48 20.918,49 6.674,50 1.778,51 2,52 16.826,53 0.188,54 10.573,55 10.573,56 0.909,57 4.18,58 4.18,59 18.616,60 224,62 4.511,63 47.125,64 1,65 3.874,66 7.111,67 7.111,68 5.282,69 18.011,70 7.398}
{0 CHEMBL1762468,13 3,14 24.549,16 18.659,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.352,24 1.567,25 11.22,26 16.793,28 2.57,29 14.942,33 13.112,34 8.205,35 10.631,36 71.391,37 6.248,38 258,39 65,40 4.19,41 4.875,42 7.388,43 4.523,44 4.462,45 9.388,46 3.204,48 22.278,49 6.674,50 1.779,51 2,52 18.097,53 0.184,54 10.573,55 10.573,56 0.941,57 4.18,58 4.18,59 18.616,60 249,62 4.556,63 49.551,64 2,65 3.919,66 7.111,67 7.111,68 5.359,69 18.011,70 5.979}
{0 CHEMBL176337,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.175,15 1,16 18.42,17 2,18 10.919,19 10.919,20 10.919,21 6,22 13.254,23 2,24 1.757,25 11.157,26 16.607,27 1,28 2.693,29 14.809,30 1,31 1,32 1,33 13.031,34 8.089,35 10.504,36 74.748,37 6.337,38 282,39 70,40 4.263,41 4.949,42 7.456,43 4.769,44 4.628,45 9.261,46 3.567,47 1,48 33.872,49 6.549,50 1.974,51 1,52 23.576,53 0.175,54 10.394,55 10.394,56 0.817,57 4.167,58 4.167,59 17.904,60 297,61 1,62 4.772,63 58.075,65 4.064,66 6.728,67 6.728,68 5.628,69 42.683,70 9}
{0 CHEMBL176391,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.127,15 3,16 18.425,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.256,23 2,24 1.757,25 11.138,26 16.606,27 1,28 2.693,29 14.801,30 1,31 1,32 1,33 13.015,34 8.044,35 10.472,36 70.921,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.399,43 4.701,44 4.572,45 9.229,46 3.456,47 1,48 31.655,49 6.549,50 1.948,51 1,52 22.34,53 0.182,54 10.394,55 10.394,56 0.711,57 4.167,58 4.167,59 17.904,60 246,61 1,62 4.709,63 52.972,65 3.98,66 6.728,67 6.728,68 5.58,69 42.683,70 8.959}
{0 CHEMBL176392,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.569,16 18.334,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.092,23 4,24 1.5,25 11.059,26 16.507,27 2,28 2.5,29 14.696,30 2,31 1,32 1,33 12.908,34 7.926,35 10.381,36 69.612,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.366,43 4.768,44 4.602,45 9.099,46 3.506,47 1,48 34.594,49 6.502,50 1.704,51 1,52 23.77,53 0.178,54 10.173,55 10.173,56 0.92,57 4.179,58 4.179,59 18.137,60 250,61 1,62 4.773,63 55.921,65 4.023,66 6.774,67 6.774,68 5.605,69 42.683,70 8.377}
{0 CHEMBL176426,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.352,15 1,16 18.874,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.467,23 2,24 1.798,25 11.475,26 16.995,27 1,28 2.753,29 15.135,30 1,31 1,32 1,33 13.297,34 8.47,35 10.912,36 76.71,37 6.361,38 289,39 74,40 4.317,41 5.004,42 7.515,43 4.793,44 4.67,45 9.667,46 3.481,47 1,48 34.09,49 6.559,50 2.097,51 1,52 24.161,53 0.177,54 10.426,55 10.426,56 0.556,57 4.42,58 4.42,59 20.393,60 300,61 1,62 4.781,63 56.887,65 4.049,66 7.371,67 7.371,68 5.68,69 42.683,70 9.222}
{0 CHEMBL176459,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.344,15 1,16 18.43,17 2,18 10.988,19 10.988,20 10.988,21 6,22 13.254,23 3,24 1.778,25 11.175,26 16.616,27 1,28 2.723,29 14.818,30 1,31 1,32 1,33 13.04,34 8.071,35 10.508,36 76.535,37 6.368,38 291,39 72,40 4.29,41 4.977,42 7.513,43 4.832,44 4.687,45 9.247,46 3.581,47 1,48 36.283,49 6.549,50 2.06,51 1,52 25.146,53 0.171,54 10.394,55 10.394,56 0.871,57 4.173,58 4.173,59 17.99,60 340,61 1,62 4.853,63 61.597,65 4.115,66 6.747,67 6.747,68 5.69,69 42.683,70 9.398}
{0 CHEMBL176528,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 2,10 1,11 1,12 1,13 5,14 12.591,15 1,16 18.401,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.213,23 4,24 1.682,25 11.139,26 16.58,27 2,28 2.644,29 14.776,30 1,31 1,32 1,33 12.994,34 8.025,35 10.46,36 74.231,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.442,43 4.83,44 4.685,45 9.192,46 3.514,47 1,48 36.505,49 6.549,50 1.808,51 1,52 25.325,53 0.174,54 10.394,55 10.394,56 0.768,57 4.182,58 4.182,59 18.151,60 292,61 1,62 4.848,63 58.075,65 4.068,66 6.774,67 6.774,68 5.695,69 85.367,70 9.301}
{0 CHEMBL176571,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.344,15 1,16 18.43,17 2,18 10.988,19 10.988,20 10.988,21 6,22 13.254,23 3,24 1.778,25 11.175,26 16.616,27 1,28 2.723,29 14.818,30 1,31 1,32 1,33 13.04,34 8.071,35 10.508,36 76.535,37 6.368,38 291,39 72,40 4.29,41 4.977,42 7.513,43 4.832,44 4.687,45 9.247,46 3.581,47 1,48 36.283,49 6.549,50 2.06,51 1,52 25.146,53 0.171,54 10.394,55 10.394,56 0.871,57 4.173,58 4.173,59 17.99,60 340,61 1,62 4.853,63 61.597,65 4.115,66 6.747,67 6.747,68 5.69,69 42.683,70 8.886}
{0 CHEMBL176604,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.368,15 1,16 18.746,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.348,23 2,24 1.667,25 11.348,26 16.866,27 1,28 2.637,29 15.006,30 1,31 1,32 1,33 13.173,34 8.284,35 10.736,36 73.441,37 6.312,38 275,39 69,40 4.248,41 4.934,42 7.445,43 4.814,44 4.672,45 9.475,46 3.482,47 1,48 35.403,49 6.559,50 1.798,51 1,52 24.394,53 0.179,54 10.426,55 10.426,56 0.773,57 4.42,58 4.42,59 20.393,60 324,61 1,62 4.805,63 58.836,65 4.056,66 7.371,67 7.371,68 5.675,69 42.683,70 9.046}
{0 CHEMBL176624,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.332,15 1,16 18.401,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.225,23 3,24 1.778,25 11.136,26 16.584,27 1,28 2.723,29 14.784,30 1,31 1,32 1,33 13.005,34 8.042,35 10.461,36 74.015,37 6.319,38 277,39 69,40 4.248,41 4.934,42 7.435,43 4.819,44 4.676,45 9.211,46 3.481,47 1,48 35.656,49 6.549,50 1.996,51 1,52 24.639,53 0.176,54 10.394,55 10.394,56 0.798,57 4.173,58 4.173,59 17.99,60 312,61 1,62 4.833,63 60.597,65 4.082,66 6.747,67 6.747,68 5.674,69 42.683,70 9.097}
{0 CHEMBL176655,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.127,15 1,16 18.334,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.132,23 2,24 1.616,25 11.054,26 16.51,27 1,28 2.606,29 14.703,30 1,31 1,32 1,33 12.916,34 7.947,35 10.38,36 66.652,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.332,43 4.682,44 4.54,45 9.122,46 3.454,47 1,48 31.284,49 6.549,50 1.757,51 1,52 21.424,53 0.185,54 10.394,55 10.394,56 0.832,57 4.167,58 4.167,59 17.904,60 226,61 1,62 4.697,63 52.342,65 3.951,66 6.728,67 6.728,68 5.567,69 42.683,70 7.883}
{0 CHEMBL176669,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.32,15 2,16 18.463,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.278,23 3,24 1.778,25 11.183,26 16.642,27 1,28 2.723,29 14.836,30 1,31 1,32 1,33 13.049,34 8.082,35 10.505,36 74.195,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.442,43 4.8,44 4.665,45 9.257,46 3.478,47 1,48 34.995,49 6.549,50 1.99,51 1,52 24.329,53 0.176,54 10.395,55 10.395,56 0.779,57 4.173,58 4.173,59 17.99,60 318,61 1,62 4.811,63 58.773,65 4.062,66 6.747,67 6.747,68 5.667,69 42.683,70 9.398}
{0 CHEMBL176850,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.128,15 2,16 18.358,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.186,23 2,24 1.732,25 11.085,26 16.538,27 1,28 2.658,29 14.734,30 1,31 1,32 1,33 12.951,34 7.984,35 10.413,36 68.484,37 6.244,38 257,39 64,40 4.174,41 4.86,42 7.365,43 4.703,44 4.564,45 9.163,46 3.456,47 1,48 31.886,49 6.549,50 1.757,51 1,52 22.322,53 0.184,54 10.394,55 10.394,56 0.748,57 4.167,58 4.167,59 17.904,60 221,61 1,62 4.71,63 53.035,65 3.972,66 6.728,67 6.728,68 5.574,69 42.683,70 8.886}
{0 CHEMBL176859,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.354,15 1,16 19.258,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.688,23 2,24 1.985,25 11.748,26 17.345,27 1,28 2.874,29 15.447,30 1,31 1,32 1,33 13.569,34 8.746,35 11.212,36 82.062,37 6.447,38 315,39 81,40 4.407,41 5.094,42 7.62,43 4.816,44 4.718,45 9.964,46 3.484,47 1,48 34.248,49 7.183,50 2.113,51 1,52 24.551,53 0.174,54 11.964,55 11.964,56 0.709,57 4.42,58 4.42,59 20.393,60 221,61 1,62 4.804,63 58.006,65 4.088,66 7.371,67 7.371,68 5.718,69 42.683,70 8.638}
{0 CHEMBL176933,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.317,15 1,16 18.558,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.342,23 3,24 1.778,25 11.265,26 16.733,27 1,28 2.723,29 14.923,30 1,31 1,32 1,33 13.131,34 8.255,35 10.664,36 76.985,37 6.361,38 289,39 73,40 4.304,41 4.99,42 7.493,43 4.799,44 4.668,45 9.429,46 3.478,47 1,48 34.946,49 6.549,50 2.06,51 1,52 24.309,53 0.174,54 10.394,55 10.394,56 0.526,57 4.173,58 4.173,59 17.99,60 327,61 1,62 4.81,63 58.648,65 4.076,66 6.747,67 6.747,68 5.669,69 42.683,70 9.222}
{0 CHEMBL176980,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.343,15 1,16 18.566,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.343,23 3,24 1.778,25 11.277,26 16.739,27 1,28 2.723,29 14.926,30 1,31 1,32 1,33 13.132,34 8.255,35 10.671,36 76.124,37 6.347,38 285,39 72,40 4.29,41 4.977,42 7.482,43 4.837,44 4.693,45 9.435,46 3.522,47 1,48 36.14,49 6.549,50 2.06,51 1,52 24.98,53 0.176,54 10.394,55 10.394,56 0.766,57 4.173,58 4.173,59 17.99,60 300,61 1,62 4.854,63 62.359,65 4.107,66 6.747,67 6.747,68 5.684,69 42.683,70 8.886}
{0 CHEMBL177033,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.391,15 1,16 18.776,17 2,18 12.75,19 12.75,20 12.75,21 6,22 13.389,23 2,24 1.798,25 11.392,26 16.901,27 1,28 2.753,29 15.048,30 1,31 1,32 1,33 13.22,34 8.324,35 10.786,36 77.875,37 6.382,38 295,39 74,40 4.317,41 5.004,42 7.545,43 4.844,44 4.701,45 9.522,46 3.59,47 1,48 36.501,49 6.559,50 2.097,51 1,52 25.233,53 0.172,54 10.426,55 10.426,56 0.832,57 4.42,58 4.42,59 20.393,60 340,61 1,62 4.846,63 61.597,65 4.115,66 7.371,67 7.371,68 5.701,69 42.683,70 9.155}
{0 CHEMBL177071,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.333,15 2,16 18.774,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.356,23 2,24 1.798,25 11.361,26 16.891,27 1,28 2.753,29 15.026,30 1,31 1,32 1,33 13.186,34 8.293,35 10.749,36 71.127,37 6.282,38 267,39 67,40 4.22,41 4.905,42 7.421,43 4.761,44 4.63,45 9.491,46 3.48,47 1,48 33.256,49 6.559,50 1.916,51 1,52 23.513,53 0.183,54 10.427,55 10.427,56 0.84,57 4.42,58 4.42,59 20.393,60 230,61 1,62 4.756,63 54.796,65 4.001,66 7.371,67 7.371,68 5.635,69 42.683,70 9.301}
{0 CHEMBL177127,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.307,15 1,16 18.401,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.225,23 3,24 1.778,25 11.136,26 16.584,27 1,28 2.723,29 14.784,30 1,31 1,32 1,33 13.005,34 8.042,35 10.461,36 73.98,37 6.319,38 277,39 69,40 4.248,41 4.934,42 7.435,43 4.781,44 4.651,45 9.211,46 3.477,47 1,48 34.191,49 6.549,50 1.996,51 1,52 24.039,53 0.176,54 10.394,55 10.394,56 0.628,57 4.173,58 4.173,59 17.99,60 312,61 1,62 4.79,63 56.95,65 4.043,66 6.747,67 6.747,68 5.664,69 42.683,70 9.523}
{0 CHEMBL177156,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 38.23,15 1,16 19.057,17 2,18 13.61,19 13.61,20 13.61,21 6,22 13.727,23 2,24 1.974,25 11.569,26 17.141,27 1,28 2.951,29 15.248,30 1,31 1,32 1,33 13.382,34 8.478,35 10.939,36 83.963,37 6.444,38 314,39 78,40 4.369,41 5.056,42 7.579,43 4.84,44 4.7,45 9.664,46 3.577,47 1,48 35.86,49 6.728,50 2.099,51 1,52 25.76,53 0.168,54 10.919,55 10.919,56 0.983,57 4.373,58 4.373,59 21.567,60 333,61 1,62 4.861,63 63.177,64 1,65 4.157,66 7.666,67 7.666,68 5.678,69 42.683,70 8.886}
{0 CHEMBL177157,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 36.308,15 1,16 18.782,17 2,18 11.657,19 11.657,20 11.657,21 6,22 13.598,23 4,24 1.808,25 11.394,26 16.916,27 2,28 2.771,29 15.068,30 1,31 1,32 1,33 13.242,34 8.34,35 10.788,36 81.257,37 6.399,38 300,39 75,40 4.331,41 5.017,42 7.533,43 4.884,44 4.739,45 9.53,46 3.567,47 1,48 38.231,49 6.774,50 2.085,51 1,52 26.957,53 0.17,54 11.112,55 11.112,56 0.783,57 4.182,58 4.182,59 18.696,60 299,61 1,62 4.892,63 61.938,64 1,65 4.133,66 7.111,67 7.111,68 5.739,69 42.683,70 8.638}
{0 CHEMBL177168,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.341,15 1,16 18.389,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.211,23 3,24 1.649,25 11.122,26 16.571,27 1,28 2.638,29 14.769,30 1,31 1,32 1,33 12.988,34 8.019,35 10.445,36 74.621,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.433,43 4.856,44 4.705,45 9.186,46 3.499,47 1,48 37.709,49 6.549,50 1.778,51 1,52 25.942,53 0.174,54 10.394,55 10.394,56 0.885,57 4.173,58 4.173,59 17.99,60 382,61 1,62 4.877,63 62.359,65 4.107,66 6.747,67 6.747,68 5.729,69 42.683,70 9.097}
{0 CHEMBL177204,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.184,15 1,16 18.551,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.335,23 2,24 1.757,25 11.26,26 16.725,27 1,28 2.693,29 14.912,30 1,31 1,32 1,33 13.118,34 8.242,35 10.659,36 75.179,37 6.33,38 280,39 71,40 4.277,41 4.963,42 7.467,43 4.794,44 4.652,45 9.425,46 3.517,47 1,48 34.577,49 6.549,50 1.974,51 1,52 23.941,53 0.178,54 10.394,55 10.394,56 0.767,57 4.167,58 4.167,59 17.904,60 286,61 1,62 4.805,63 60.597,65 4.082,66 6.728,67 6.728,68 5.645,69 42.683,70 9.097}
{0 CHEMBL177205,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.586,15 2,16 18.404,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.214,23 4,24 1.732,25 11.144,26 16.582,27 2,28 2.658,29 14.778,30 1,31 1,32 1,33 12.995,34 8.025,35 10.463,36 74.176,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.442,43 4.823,44 4.68,45 9.195,46 3.513,47 1,48 36.318,49 6.549,50 1.808,51 1,52 25.365,53 0.174,54 10.395,55 10.395,56 0.729,57 4.182,58 4.182,59 18.151,60 256,61 1,62 4.841,63 57.558,65 4.063,66 6.774,67 6.774,68 5.688,69 42.683,70 9}
{0 CHEMBL177648,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.366,15 1,16 18.425,17 2,18 10.988,19 10.988,20 10.988,21 6,22 13.311,23 3,24 2.059,25 11.169,26 16.613,27 1,28 2.914,29 14.817,30 1,31 1,32 1,33 13.043,34 8.071,35 10.498,36 81.067,37 6.409,38 303,39 75,40 4.331,41 5.017,42 7.519,43 4.89,44 4.744,45 9.234,46 3.583,47 1,48 38.662,49 6.549,50 2.083,51 1,52 27.074,53 0.166,54 10.394,55 10.394,56 0.909,57 4.173,58 4.173,59 17.99,60 386,61 1,62 4.913,63 64.597,65 4.163,66 6.747,67 6.747,68 5.742,69 42.683,70 9.155}
{0 CHEMBL178189,13 2,14 61.457,16 19.205,17 1,18 13.634,19 13.634,20 13.634,21 6,22 13.687,24 1.548,25 11.614,26 17.249,28 2.557,29 15.312,33 13.402,34 8.56,35 11.026,36 75.639,37 6.315,38 276,39 69,40 4.248,41 4.934,42 7.462,43 4.797,44 4.64,45 9.741,46 3.437,48 33.988,49 7.454,50 1.716,51 3,52 25.057,53 0.178,54 13.046,55 13.046,56 1.3,57 4.506,58 4.506,59 21.681,60 300,62 4.77,63 55.103,64 7,65 4.014,66 7.664,67 7.664,68 5.587,70 8.444}
{0 CHEMBL178319,13 3,14 38.994,16 18.803,17 1,18 13.441,19 13.441,20 13.441,21 5,22 13.423,24 1.5,25 11.257,26 16.873,28 2.5,29 14.966,33 13.089,34 8.179,35 10.663,36 66.176,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.311,43 4.604,44 4.436,45 9.371,46 3.435,48 28.067,49 6.542,50 1.5,51 4,52 21.068,53 0.186,54 10.331,55 10.331,56 1.409,57 4.421,58 4.421,59 21.324,60 215,62 4.592,63 50.427,64 6,65 3.927,66 7.641,67 7.641,68 5.399,70 7}
{0 CHEMBL178337,13 4,14 39.257,16 18.92,17 1,18 13.441,19 13.441,20 13.441,21 5,22 13.47,24 1.5,25 11.374,26 16.985,28 2.5,29 15.071,33 13.185,34 8.275,35 10.762,36 67.936,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.352,43 4.63,44 4.461,45 9.47,46 3.476,48 28.882,49 6.921,50 1.617,51 4,52 21.582,53 0.184,54 11.559,55 11.559,56 1.468,57 4.421,58 4.421,59 21.324,60 213,62 4.645,63 52.188,64 6,65 3.956,66 7.641,67 7.641,68 5.424,70 7.435}
{0 CHEMBL1784384,12 1,13 3,14 13.192,16 19.031,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.474,24 1.732,25 11.567,26 17.1,28 2.671,29 15.19,33 13.305,34 8.453,35 10.895,36 71.142,37 6.315,38 276,39 67,40 4.22,41 4.905,42 7.453,43 4.694,44 4.503,45 9.597,46 3.354,47 1,48 34.273,49 6.923,50 1.879,51 4,52 23.648,53 0.177,54 11.656,55 11.656,56 1.191,57 4.498,58 4.498,59 21.388,60 208,62 4.782,63 53.182,64 2,65 4,66 7.642,67 7.642,68 5.567,70 7.8}
{0 CHEMBL1784385,12 1,13 3,14 13.012,16 19.205,17 1,18 13.986,19 13.986,20 13.986,21 8,22 13.524,24 1.5,25 11.679,26 17.26,28 2.5,29 15.331,33 13.424,34 8.611,35 11.064,36 67.521,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.428,43 4.688,44 4.495,45 9.782,46 3.351,47 1,48 33.058,49 7.181,50 1.751,51 4,52 22.503,53 0.187,54 11.841,55 11.841,56 1.544,57 4.503,58 4.503,59 21.504,60 169,62 4.754,63 52.705,64 2,65 3.964,66 7.642,67 7.642,68 5.547,70 9.45}
{0 CHEMBL1784386,12 1,13 4,14 13.004,16 19.205,18 13.986,19 13.986,20 13.986,21 8,22 13.524,24 1.5,25 11.679,26 17.26,28 2.5,29 15.331,33 13.424,34 8.611,35 11.064,36 67.638,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.428,43 4.681,44 4.487,45 9.782,46 3.355,47 1,48 33.148,49 7.181,50 1.751,52 22.404,53 0.187,54 11.841,55 11.841,56 1.755,57 4.501,58 4.501,59 21.504,60 169,62 4.769,63 52.705,64 2,65 3.967,66 7.642,67 7.642,68 5.557,69 18.011,70 5.65}
{0 CHEMBL1784387,1 2,4 2,6 2,7 1,8 1,9 1,11 1,12 1,13 3,14 39.518,16 19.177,18 14.069,19 14.069,20 14.069,21 9,22 13.639,23 1,24 1.879,25 11.72,26 17.249,28 2.832,29 15.339,30 1,31 2,32 2,33 13.453,34 8.591,35 11.03,36 79.827,37 6.412,38 304,39 74,40 4.317,41 5.004,42 7.556,43 4.723,44 4.57,45 9.741,46 3.356,47 1,48 34.477,49 6.934,50 1.986,51 4,52 24.279,53 0.172,54 11.698,55 11.698,56 1.025,57 4.516,58 4.516,59 21.619,60 229,62 4.817,63 54.785,64 3,65 4.045,66 7.654,67 7.654,68 5.619,69 42.683,70 5.5}
{0 CHEMBL1784388,12 1,13 3,14 27.368,16 19.374,17 1,18 14.993,19 14.993,20 14.993,21 8,22 13.605,24 1.601,25 11.802,26 17.402,28 2.613,29 15.449,33 13.521,34 8.701,35 11.161,36 70.497,37 6.301,38 272,39 67,40 4.22,41 4.905,42 7.465,43 4.674,44 4.505,45 9.869,46 3.352,47 1,48 32.132,49 7.181,50 1.875,51 4,52 22.039,53 0.185,54 11.842,55 11.842,56 1.548,57 4.614,58 4.614,59 22.885,60 179,62 4.747,63 52.398,64 2,65 3.967,66 7.945,67 7.945,68 5.536,70 5.75}
{0 CHEMBL1784389,13 3,14 13.12,16 18.794,17 1,18 13.985,19 13.985,20 13.985,21 7,22 13.146,24 1.5,25 11.322,26 16.86,28 2.5,29 14.95,33 13.07,34 8.233,35 10.664,36 63.853,37 6.18,38 241,39 59,40 4.094,41 4.779,42 7.31,43 4.639,44 4.447,45 9.357,46 3.253,48 32.228,49 6.56,50 1.5,51 4,52 22.273,53 0.185,54 10.424,55 10.424,56 1.213,57 4.498,58 4.498,59 21.388,60 203,62 4.707,63 50.177,64 1,65 3.932,66 7.642,67 7.642,68 5.506,69 18.011,70 5.5}
{0 CHEMBL1784390,13 3,14 13.133,16 18.792,17 1,18 13.985,19 13.985,20 13.985,21 7,22 13.147,24 1.5,25 11.318,26 16.859,28 2.5,29 14.949,33 13.071,34 8.233,35 10.662,36 65.277,37 6.196,38 245,39 60,40 4.111,41 4.796,42 7.323,43 4.703,44 4.514,45 9.355,46 3.278,48 33.864,49 6.559,50 1.5,51 4,52 23.378,53 0.183,54 10.418,55 10.418,56 1.22,57 4.498,58 4.498,59 21.388,60 224,62 4.744,63 51.938,64 1,65 3.961,66 7.642,67 7.642,68 5.556,69 18.011,70 5.5}
{0 CHEMBL1784391,13 3,14 39.534,16 19.113,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.467,24 1.629,25 11.641,26 17.182,28 2.626,29 15.268,33 13.38,34 8.517,35 10.97,36 75.326,37 6.347,38 285,39 69,40 4.248,41 4.934,42 7.488,43 4.691,44 4.518,45 9.673,46 3.314,48 32.979,49 7.082,50 1.745,51 4,52 23.146,53 0.176,54 12.151,55 12.151,56 1.083,57 4.498,58 4.498,59 21.527,60 217,62 4.753,63 52.324,64 3,65 4.002,66 7.642,67 7.642,68 5.544,70 5.6}
{0 CHEMBL1784394,13 3,14 26.087,16 19.031,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.378,24 1.732,25 11.567,26 17.1,28 2.671,29 15.19,33 13.305,34 8.453,35 10.895,36 72.263,37 6.315,38 276,39 67,40 4.22,41 4.905,42 7.453,43 4.668,44 4.486,45 9.597,46 3.287,48 32.801,49 6.923,50 1.879,51 4,52 22.709,53 0.177,54 11.656,55 11.656,56 1.062,57 4.498,58 4.498,59 21.388,60 208,62 4.741,63 51.876,64 2,65 3.984,66 7.642,67 7.642,68 5.536,69 18.011,70 5.5}
{0 CHEMBL1784395,12 1,13 3,14 13.168,16 18.971,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.41,24 1.513,25 11.505,26 17.041,28 2.512,29 15.132,33 13.25,34 8.4,35 10.836,36 69.425,37 6.286,38 268,39 65,40 4.19,41 4.875,42 7.42,43 4.657,44 4.472,45 9.537,46 3.304,47 1,48 32.419,49 6.74,50 1.738,51 4,52 22.444,53 0.178,54 11.032,55 11.032,56 1.19,57 4.498,58 4.498,59 21.388,60 200,62 4.728,63 51.421,64 2,65 3.971,66 7.642,67 7.642,68 5.514,70 6.4}
{0 CHEMBL1784396,12 1,13 3,14 13.183,16 19.031,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.474,24 1.732,25 11.567,26 17.1,28 2.671,29 15.19,33 13.305,34 8.453,35 10.895,36 71.15,37 6.315,38 276,39 67,40 4.22,41 4.905,42 7.453,43 4.679,44 4.493,45 9.597,46 3.319,47 1,48 33.408,49 6.923,50 1.879,51 4,52 22.922,53 0.177,54 11.656,55 11.656,56 1.148,57 4.498,58 4.498,59 21.388,60 208,62 4.761,63 52.427,64 2,65 3.988,66 7.642,67 7.642,68 5.552,69 32.897,70 6.59}
{0 CHEMBL1784397,12 1,13 3,14 13.209,16 19.042,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.484,24 1.733,25 11.583,26 17.112,28 2.671,29 15.202,33 13.318,34 8.468,35 10.906,36 72.44,37 6.333,38 281,39 68,40 4.234,41 4.92,42 7.468,43 4.736,44 4.542,45 9.606,46 3.34,47 1,48 35.819,49 6.947,50 1.879,51 4,52 24.448,53 0.175,54 11.783,55 11.783,56 1.269,57 4.498,58 4.498,59 21.388,60 217,62 4.841,63 54.188,64 2,65 4.013,66 7.642,67 7.642,68 5.626,69 18.011,70 6.6}
{0 CHEMBL1784398,12 1,13 3,14 13.183,16 19.273,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.628,24 1.74,25 11.766,26 17.329,28 2.677,29 15.402,33 13.498,34 8.678,35 11.133,36 76.354,37 6.389,38 297,39 73,40 4.304,41 4.99,42 7.543,43 4.69,44 4.529,45 9.841,46 3.372,47 1,48 32.705,49 7.376,50 1.879,51 4,52 23.836,53 0.173,54 12.952,55 12.952,56 0.684,57 4.498,58 4.498,59 21.893,60 236,62 4.776,63 52.995,64 2,65 4.021,66 7.642,67 7.642,68 5.595,70 7}
{0 CHEMBL1784399,12 1,13 3,14 37.499,16 19.262,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.812,24 1.879,25 11.757,26 17.327,28 2.845,29 15.408,33 13.513,34 8.688,35 11.136,36 80.212,37 6.412,38 304,39 75,40 4.331,41 5.017,42 7.569,43 4.811,44 4.626,45 9.854,46 3.594,47 1,48 36.912,49 7.125,50 1.914,51 4,52 26.995,53 0.172,54 11.843,55 11.843,56 0.954,57 4.498,58 4.498,59 21.388,60 246,62 4.864,63 57.501,64 3,65 4.081,66 7.642,67 7.642,68 5.667,70 5.8}
{0 CHEMBL1784400,12 1,13 3,14 13.19,15 1,16 19.043,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.513,24 1.732,25 11.586,26 17.116,28 2.671,29 15.209,33 13.329,34 8.475,35 10.915,36 73.089,37 6.34,38 283,39 69,40 4.248,41 4.934,42 7.482,43 4.692,44 4.516,45 9.622,46 3.361,47 1,48 33.669,49 6.925,50 1.879,51 4,52 23.732,53 0.176,54 11.67,55 11.67,56 0.849,57 4.498,58 4.498,59 21.388,60 218,62 4.781,63 53.12,64 2,65 4.007,66 7.642,67 7.642,68 5.578,70 8}
{0 CHEMBL1784401,13 3,14 13.187,16 19.031,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.474,24 1.732,25 11.567,26 17.1,28 2.671,29 15.19,33 13.305,34 8.453,35 10.895,36 71.142,37 6.315,38 276,39 67,40 4.22,41 4.905,42 7.453,43 4.679,44 4.493,45 9.597,46 3.337,47 1,48 33.408,49 6.923,50 1.879,51 4,52 22.922,53 0.177,54 11.656,55 11.656,56 1.145,57 4.498,58 4.498,59 21.388,60 208,62 4.763,63 52.427,64 3,65 3.986,66 7.642,67 7.642,68 5.552,70 7.7}
{0 CHEMBL1784402,12 1,13 3,14 13.205,16 19.042,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.484,24 1.733,25 11.583,26 17.112,28 2.671,29 15.202,33 13.318,34 8.468,35 10.906,36 72.725,37 6.333,38 281,39 68,40 4.234,41 4.92,42 7.468,43 4.725,44 4.536,45 9.606,46 3.32,47 1,48 35.237,49 6.947,50 1.879,51 4,52 24.246,53 0.175,54 11.783,55 11.783,56 1.166,57 4.498,58 4.498,59 21.388,60 217,62 4.825,63 53.637,64 4,65 4.008,66 7.642,67 7.642,68 5.611,70 6.6}
{0 CHEMBL1784403,12 1,13 3,14 13.224,16 19.043,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.486,24 1.733,25 11.587,26 17.113,28 2.671,29 15.204,33 13.32,34 8.468,35 10.909,36 73.884,37 6.347,38 285,39 69,40 4.248,41 4.934,42 7.479,43 4.808,44 4.61,45 9.607,46 3.348,47 1,48 39.058,49 6.948,50 1.879,51 4,52 26.792,53 0.173,54 11.792,55 11.792,56 1.173,57 4.498,58 4.498,59 21.388,60 226,62 4.894,63 55.398,64 4,65 4.035,66 7.642,67 7.642,68 5.708,70 5.7}
{0 CHEMBL1784404,12 1,13 3,14 13.214,16 19.042,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.484,24 1.733,25 11.583,26 17.112,28 2.671,29 15.202,33 13.318,34 8.468,35 10.906,36 72.352,37 6.333,38 281,39 68,40 4.234,41 4.92,42 7.468,43 4.75,44 4.552,45 9.606,46 3.411,47 1,48 36.668,49 6.947,50 1.879,51 4,52 25.178,53 0.175,54 11.783,55 11.783,56 1.322,57 4.498,58 4.498,59 21.388,60 217,62 4.861,63 54.944,64 2,65 4.027,66 7.642,67 7.642,68 5.64,70 8.05}
{0 CHEMBL1784478,12 1,13 3,14 13.181,15 1,16 19.041,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.512,24 1.754,25 11.582,26 17.114,28 2.689,29 15.208,33 13.328,34 8.475,35 10.913,36 73.215,37 6.34,38 283,39 69,40 4.248,41 4.934,42 7.482,43 4.692,44 4.516,45 9.62,46 3.354,47 1,48 33.669,49 6.923,50 1.879,51 4,52 23.732,53 0.176,54 11.656,55 11.656,56 0.91,57 4.498,58 4.498,59 21.388,60 239,62 4.781,63 53.12,64 2,65 4.007,66 7.642,67 7.642,68 5.578,70 6.75}
{0 CHEMBL1784479,12 1,13 3,14 13.354,16 19.077,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.564,24 1.879,25 11.618,26 17.155,28 2.82,29 15.252,33 13.374,34 8.512,35 10.951,36 75.526,37 6.368,38 291,39 71,40 4.277,41 4.963,42 7.513,43 4.741,44 4.549,45 9.665,46 3.354,47 1,48 35.129,49 6.923,50 1.914,51 4,52 25.279,53 0.175,54 11.656,55 11.656,56 0.971,57 4.498,58 4.498,59 21.389,60 234,62 4.821,63 54.898,64 2,65 4.03,66 7.642,67 7.642,68 5.58,70 7.8}
{0 CHEMBL1784480,12 1,13 3,14 13.166,15 2,16 19.077,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.564,24 1.879,25 11.618,26 17.155,28 2.82,29 15.252,33 13.374,34 8.512,35 10.951,36 75.469,37 6.368,38 291,39 71,40 4.277,41 4.963,42 7.513,43 4.691,44 4.524,45 9.665,46 3.354,47 1,48 33.145,49 6.923,50 1.914,51 4,52 23.795,53 0.175,54 11.656,55 11.656,56 0.786,57 4.498,58 4.498,59 21.389,60 234,62 4.779,63 53.057,64 2,65 4.014,66 7.642,67 7.642,68 5.587,70 7.5}
{0 CHEMBL1784481,12 1,13 3,14 13.285,16 19.043,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.513,24 1.793,25 11.586,26 17.116,28 2.716,29 15.209,33 13.329,34 8.475,35 10.915,36 73.028,37 6.34,38 283,39 69,40 4.248,41 4.934,42 7.482,43 4.714,44 4.521,45 9.622,46 3.354,47 1,48 34.721,49 6.923,50 1.879,51 4,52 24.449,53 0.176,54 11.656,55 11.656,56 1.05,57 4.498,58 4.498,59 21.389,60 206,62 4.807,63 54.04,64 2,65 4.015,66 7.642,67 7.642,68 5.573,70 8.3}
{0 CHEMBL1784482,12 1,13 3,14 13.272,16 19.26,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.658,24 1.879,25 11.753,26 17.325,28 2.826,29 15.407,33 13.512,34 8.688,35 11.134,36 77.978,37 6.412,38 304,39 75,40 4.331,41 5.017,42 7.569,43 4.731,44 4.568,45 9.853,46 3.355,47 1,48 34.598,49 7.111,50 1.914,51 4,52 24.268,53 0.172,54 11.659,55 11.659,56 0.826,57 4.498,58 4.498,59 21.388,60 254,62 4.801,63 54.756,64 2,65 4.048,66 7.642,67 7.642,68 5.601,70 5.5}
{0 CHEMBL1784483,12 1,13 3,14 13.404,16 19.05,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.521,24 1.809,25 11.595,26 17.124,28 2.729,29 15.219,33 13.34,34 8.487,35 10.923,36 74.443,37 6.358,38 288,39 70,40 4.263,41 4.949,42 7.496,43 4.748,44 4.563,45 9.629,46 3.354,47 1,48 35.414,49 6.923,50 1.879,51 4,52 24.527,53 0.174,54 11.656,55 11.656,56 1.005,57 4.498,58 4.498,59 21.389,60 238,62 4.815,63 55.398,64 2,65 4.035,66 7.642,67 7.642,68 5.616,70 7.75}
{0 CHEMBL178477,13 2,14 12.614,15 1,16 17.776,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.772,24 1.25,25 10.52,26 15.986,28 2.288,29 14.212,33 12.459,34 7.441,35 9.865,36 54.002,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.066,43 4.33,44 4.135,45 8.585,46 3.206,48 23.561,49 6.342,50 1.5,51 4,52 16.414,53 0.202,54 9.442,55 9.442,56 0.96,57 4.009,58 4.009,59 16.911,60 173,62 4.391,63 42.83,64 1,65 3.756,66 6.499,67 6.499,68 5.186,69 18.011,70 6.721}
{0 CHEMBL179141,13 2,14 39.369,16 19.233,17 1,18 13.634,19 13.634,20 13.634,21 5,22 13.596,24 1.5,25 11.637,26 17.271,28 2.5,29 15.325,33 13.4,34 8.623,35 11.086,36 64.761,37 6.172,38 239,39 61,40 4.127,41 4.812,42 7.344,43 4.726,44 4.525,45 9.813,46 3.433,48 35.069,49 7.454,50 1.5,51 3,52 24.996,53 0.196,54 13.046,55 13.046,56 1.299,57 4.506,58 4.506,59 21.681,60 188,62 4.783,63 51.711,64 6,65 3.918,66 7.664,67 7.664,68 5.624,70 5.699}
{0 CHEMBL179209,13 2,14 61.457,16 19.205,17 1,18 13.634,19 13.634,20 13.634,21 6,22 13.687,24 1.548,25 11.614,26 17.249,28 2.557,29 15.312,33 13.402,34 8.56,35 11.026,36 75.639,37 6.315,38 276,39 69,40 4.248,41 4.934,42 7.462,43 4.797,44 4.64,45 9.741,46 3.437,48 33.988,49 7.454,50 1.716,51 3,52 25.057,53 0.178,54 13.046,55 13.046,56 1.3,57 4.506,58 4.506,59 21.681,60 300,62 4.77,63 55.103,64 7,65 4.014,66 7.664,67 7.664,68 5.587,70 7.678}
{0 CHEMBL179858,13 2,14 37.561,16 18.76,17 1,18 13.28,19 13.28,20 13.28,21 4,22 13.421,24 1.5,25 11.186,26 16.831,28 2.5,29 14.924,33 13.047,34 8.139,35 10.602,36 62.898,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.259,43 4.467,44 4.277,45 9.323,46 3.368,48 26.028,49 6.499,50 1.5,51 4,52 18.513,53 0.193,54 10.177,55 10.177,56 1.434,57 4.403,58 4.403,59 20.912,60 192,62 4.523,63 50.733,64 4,65 3.909,66 7.616,67 7.616,68 5.295,70 7.337}
{0 CHEMBL179877,13 2,14 36.066,16 18.428,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.329,24 1.5,25 10.988,26 16.557,28 2.5,29 14.704,33 12.874,34 7.984,35 10.42,36 60.704,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.215,43 4.49,44 4.294,45 9.155,46 3.384,48 27.208,49 6.499,50 1.5,51 4,52 19.323,53 0.194,54 10.177,55 10.177,56 0.941,57 4.229,58 4.229,59 18.545,60 181,62 4.542,63 48.972,64 2,65 3.885,66 7.111,67 7.111,68 5.335,69 31.291,70 7.42}
{0 CHEMBL179950,13 2,14 13.089,16 17.968,17 1,18 10.177,19 10.177,20 10.177,21 5,22 12.976,24 1.5,25 10.707,26 16.173,28 2.5,29 14.392,33 12.632,34 7.615,35 10.043,36 62.983,37 6.12,38 227,39 56,40 4.043,41 4.727,42 7.226,43 4.475,44 4.284,45 8.751,46 3.384,48 26.892,49 6.342,50 1.5,51 4,52 18.908,53 0.186,54 9.445,55 9.445,56 1.184,57 4.01,58 4.01,59 16.911,60 220,62 4.534,63 51.171,64 1,65 3.937,66 6.499,67 6.499,68 5.299,70 5.638}
{0 CHEMBL179993,13 2,14 37.885,16 18.78,17 1,18 13.28,19 13.28,20 13.28,21 4,22 13.429,24 1.5,25 11.216,26 16.851,28 2.5,29 14.944,33 13.065,34 8.167,35 10.619,36 63.816,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.277,43 4.539,44 4.345,45 9.337,46 3.397,48 28.019,49 6.499,50 1.5,51 4,52 19.895,53 0.19,54 10.177,55 10.177,56 1.432,57 4.403,58 4.403,59 20.912,60 200,62 4.597,63 52.495,64 4,65 3.939,66 7.616,67 7.616,68 5.364,70 8}
{0 CHEMBL180013,13 2,14 39.608,16 19.164,17 1,18 13.634,19 13.634,20 13.634,21 6,22 13.572,24 1.5,25 11.563,26 17.199,28 2.5,29 15.253,33 13.333,34 8.499,35 10.975,36 69.547,37 6.244,38 257,39 64,40 4.174,41 4.86,42 7.387,43 4.788,44 4.619,45 9.68,46 3.437,48 33.951,49 7.454,50 1.547,51 3,52 25.021,53 0.183,54 13.046,55 13.046,56 1.524,57 4.506,58 4.506,59 21.681,60 257,62 4.758,63 53.949,64 6,65 3.985,66 7.664,67 7.664,68 5.575,70 8.046}
{0 CHEMBL180095,13 2,14 12.803,16 17.781,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.774,24 1.248,25 10.529,26 15.99,28 2.287,29 14.215,33 12.461,34 7.441,35 9.871,36 53.921,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.066,43 4.383,44 4.172,45 8.59,46 3.259,48 24.525,49 6.342,50 1.5,51 4,52 17.53,53 0.202,54 9.445,55 9.445,56 1.014,57 4.01,58 4.01,59 16.914,60 148,62 4.427,63 44.506,64 1,65 3.785,66 6.499,67 6.499,68 5.193,70 5.658}
{0 CHEMBL180155,13 2,14 36.702,16 18.431,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.336,24 1.5,25 10.995,26 16.56,28 2.5,29 14.707,33 12.877,34 7.984,35 10.424,36 63.317,37 6.103,38 223,39 56,40 4.043,41 4.727,42 7.229,43 4.546,44 4.353,45 9.157,46 3.448,48 28.743,49 6.499,50 1.5,51 4,52 20.46,53 0.192,54 10.177,55 10.177,56 0.973,57 4.18,58 4.18,59 18.545,60 188,62 4.605,63 50.728,64 2,65 3.919,66 7.111,67 7.111,68 5.387,70 7.659}
{0 CHEMBL180184,13 2,14 12.858,16 17.787,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.709,24 1.319,25 10.526,26 15.985,28 2.345,29 14.2,33 12.438,34 7.434,35 9.848,36 54.387,37 5.969,38 195,39 48,40 3.892,41 4.575,42 7.062,43 4.452,44 4.257,45 8.545,46 3.27,48 25.461,49 6.441,50 1.5,51 4,52 17.628,53 0.198,54 9.882,55 9.882,56 1.396,57 4.01,58 4.01,59 16.911,60 172,62 4.473,63 46.415,64 1,65 3.817,66 6.499,67 6.499,68 5.258,69 18.011,70 7.208}
{0 CHEMBL180274,13 2,14 61.809,16 19.205,17 1,18 13.634,19 13.634,20 13.634,21 6,22 13.683,24 1.713,25 11.618,26 17.249,28 2.66,29 15.312,33 13.401,34 8.56,35 11.021,36 74.129,37 6.301,38 272,39 68,40 4.234,41 4.92,42 7.458,43 4.779,44 4.616,45 9.734,46 3.448,48 34.702,49 7.454,50 1.755,51 3,52 25.255,53 0.18,54 13.046,55 13.046,56 1.195,57 4.506,58 4.506,59 21.681,60 260,62 4.818,63 54.648,64 5,65 4.006,66 7.664,67 7.664,68 5.612,70 8.276}
{0 CHEMBL180334,13 2,14 12.726,15 1,16 17.776,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.772,24 1.25,25 10.52,26 15.986,28 2.288,29 14.212,33 12.459,34 7.441,35 9.865,36 53.995,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.066,43 4.343,44 4.145,45 8.585,46 3.258,48 23.937,49 6.342,50 1.5,51 4,52 16.812,53 0.202,54 9.442,55 9.442,56 0.882,57 4.01,58 4.01,59 16.911,60 173,62 4.406,63 43.586,64 1,65 3.775,66 6.499,67 6.499,68 5.189,70 6.18}
{0 CHEMBL180498,13 2,14 12.858,16 17.8,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.789,24 1.25,25 10.545,26 16.01,28 2.288,29 14.237,33 12.483,34 7.473,35 9.886,36 55.307,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.088,43 4.386,44 4.188,45 8.605,46 3.264,48 25.084,49 6.342,50 1.5,51 4,52 17.434,53 0.199,54 9.442,55 9.442,56 0.987,57 4.01,58 4.01,59 16.911,60 194,62 4.442,63 45.864,64 1,65 3.811,66 6.499,67 6.499,68 5.245,70 6.237}
{0 CHEMBL180656,13 2,14 12.824,16 17.8,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.86,24 1.254,25 10.545,26 16.01,28 2.5,29 14.237,33 12.483,34 7.473,35 9.886,36 57.579,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.088,43 4.37,44 4.173,45 8.605,46 3.283,48 24.336,49 6.342,50 1.5,51 4,52 16.994,53 0.199,54 9.442,55 9.442,56 1.13,57 4.01,58 4.01,59 16.911,60 194,62 4.428,63 44.893,64 1,65 3.8,66 6.499,67 6.499,68 5.2,70 7.222}
{0 CHEMBL180685,13 2,14 12.808,16 17.776,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.772,24 1.25,25 10.52,26 15.986,28 2.288,29 14.212,33 12.459,34 7.441,35 9.865,36 53.984,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.066,43 4.38,44 4.165,45 8.585,46 3.264,48 24.552,49 6.342,50 1.5,51 4,52 17.653,53 0.202,54 9.442,55 9.442,56 1.11,57 4.01,58 4.01,59 16.911,60 173,62 4.424,63 45.001,64 1,65 3.79,66 6.499,67 6.499,68 5.186,70 6.237}
{0 CHEMBL181260,12 1,13 2,14 12.638,16 17.855,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.728,24 1,25 10.548,26 16.04,28 2.118,29 14.239,33 12.459,34 7.438,35 9.877,36 49.607,37 5.883,38 179,39 44,40 3.807,41 4.489,42 6.98,43 4.171,44 3.955,45 8.6,46 3.141,48 20.469,49 6.499,50 1.171,51 4,52 14.572,53 0.21,54 10.028,55 10.028,56 1.295,57 4.012,58 4.012,59 17.309,60 116,62 4.308,63 40.773,64 1,65 3.702,66 6.527,67 6.527,68 5.024,70 5.06}
{0 CHEMBL1813269,11 1,13 3,14 27.542,16 19.066,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.255,24 1.5,25 11.521,26 17.089,28 2.5,29 15.142,33 13.231,34 8.389,35 10.819,36 68.946,37 6.244,38 257,39 63,40 4.159,41 4.844,42 7.38,43 4.57,44 4.426,45 9.504,46 3.417,48 28.489,49 6.613,50 1.5,51 4,52 19.45,53 0.182,54 10.352,55 10.352,56 1.246,57 4.631,58 4.631,59 23.703,60 297,61 2,62 4.632,63 54.279,64 1,65 3.985,66 7.995,67 7.995,68 5.521,69 60.694,70 4.041}
{0 CHEMBL1813270,9 1,11 1,13 3,14 27.497,16 19.059,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.244,24 1.5,25 11.511,26 17.081,28 2.5,29 15.132,33 13.219,34 8.377,35 10.811,36 67.639,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.363,43 4.545,44 4.398,45 9.496,46 3.417,48 28.056,49 6.613,50 1.5,51 4,52 19.151,53 0.184,54 10.352,55 10.352,56 1.234,57 4.631,58 4.631,59 23.703,60 272,61 2,62 4.621,63 52.518,64 1,65 3.96,66 7.995,67 7.995,68 5.509,69 103.377,70 4.167}
{0 CHEMBL1813271,11 1,13 3,14 38.814,16 19.095,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.318,24 1.5,25 11.55,26 17.123,28 2.5,29 15.18,33 13.272,34 8.423,35 10.852,36 71.39,37 6.271,38 264,39 65,40 4.19,41 4.875,42 7.41,43 4.583,44 4.442,45 9.544,46 3.417,48 28.741,49 6.613,50 1.583,51 4,52 19.572,53 0.181,54 10.352,55 10.352,56 1.247,57 4.631,58 4.631,59 23.703,60 284,61 2,62 4.641,63 54.523,64 1,65 3.997,66 7.995,67 7.995,68 5.524,69 93.591,70 4.409}
{0 CHEMBL1813432,11 1,13 3,14 39.328,16 19.103,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.328,24 1.5,25 11.561,26 17.132,28 2.5,29 15.19,33 13.284,34 8.433,35 10.861,36 72.931,37 6.29,38 269,39 66,40 4.205,41 4.89,42 7.426,43 4.595,44 4.458,45 9.553,46 3.417,48 28.863,49 6.613,50 1.583,51 4,52 19.686,53 0.179,54 10.352,55 10.352,56 1.343,57 4.631,58 4.631,59 23.703,60 310,61 2,62 4.663,63 56.285,64 1,65 4.021,66 7.995,67 7.995,68 5.539,69 78.705,70 4.42}
{0 CHEMBL1813433,11 1,13 3,14 50.465,16 19.274,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.619,24 1.5,25 11.694,26 17.298,28 2.5,29 15.345,33 13.422,34 8.609,35 11.053,36 73.624,37 6.304,38 273,39 68,40 4.234,41 4.92,42 7.461,43 4.611,44 4.465,45 9.756,46 3.456,48 29.147,49 7.111,50 1.583,51 4,52 20.723,53 0.18,54 11.657,55 11.657,56 1.18,57 4.631,58 4.631,59 23.703,60 271,61 2,62 4.658,63 55.625,64 2,65 4.021,66 7.995,67 7.995,68 5.536,69 91.986,70 4.319}
{0 CHEMBL1813434,11 1,13 3,14 50.921,16 19.274,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.619,24 1.5,25 11.694,26 17.298,28 2.5,29 15.345,33 13.422,34 8.609,35 11.053,36 74.627,37 6.304,38 273,39 68,40 4.234,41 4.92,42 7.461,43 4.622,44 4.473,45 9.756,46 3.489,48 29.466,49 7.111,50 1.583,51 4,52 21.116,53 0.18,54 11.657,55 11.657,56 1.192,57 4.631,58 4.631,59 23.703,60 271,61 2,62 4.663,63 56.381,64 2,65 4.033,66 7.995,67 7.995,68 5.538,69 60.694,70 4.469}
{0 CHEMBL1813435,11 1,13 3,14 50.395,16 19.161,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.567,24 1.5,25 11.632,26 17.195,28 2.5,29 15.256,33 13.351,34 8.558,35 10.985,36 75.104,37 6.312,38 275,39 69,40 4.248,41 4.934,42 7.466,43 4.609,44 4.464,45 9.692,46 3.495,48 29.019,49 6.613,50 1.583,51 4,52 20.279,53 0.178,54 10.352,55 10.352,56 1.089,57 4.631,58 4.631,59 23.703,60 294,61 2,62 4.667,63 57.387,64 2,65 4.045,66 7.995,67 7.995,68 5.544,69 77.099,70 4.585}
{0 CHEMBL1813436,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 37.949,16 19.073,17 1,18 15.246,19 15.246,20 15.246,21 4,22 13.293,24 1.5,25 11.513,26 17.098,28 2.5,29 15.151,30 2,31 2,32 1,33 13.239,34 8.396,35 10.819,36 65.642,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.33,43 4.436,44 4.282,45 9.522,46 3.308,48 26.116,49 6.57,50 1.5,51 4,52 17.575,53 0.192,54 10.128,55 10.128,56 1.238,57 4.631,58 4.631,59 23.699,60 242,61 2,62 4.525,63 49.449,64 1,65 3.894,66 7.995,67 7.995,68 5.417,69 103.377,70 4.319}
{0 CHEMBL1813437,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 37.999,16 19.101,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.331,24 1.5,25 11.553,26 17.129,28 2.5,29 15.185,30 2,31 2,32 1,33 13.275,34 8.446,35 10.87,36 67.467,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.37,43 4.401,44 4.256,45 9.574,46 3.371,48 25.005,49 6.627,50 1.511,51 4,52 17.025,53 0.188,54 10.403,55 10.403,56 1.237,57 4.632,58 4.632,59 23.704,60 242,61 2,62 4.504,63 48.688,64 1,65 3.904,66 7.995,67 7.995,68 5.375,69 103.377,70 4.092}
{0 CHEMBL1813438,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 38.208,16 19.096,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.321,24 1.5,25 11.551,26 17.124,28 2.5,29 15.18,30 2,31 2,32 1,33 13.271,34 8.423,35 10.859,36 67.847,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.415,43 4.468,44 4.324,45 9.553,46 3.386,48 26.292,49 6.616,50 1.551,51 4,52 17.991,53 0.185,54 10.361,55 10.361,56 1.24,57 4.631,58 4.631,59 23.702,60 254,61 2,62 4.551,63 50.449,64 1,65 3.934,66 7.995,67 7.995,68 5.426,69 103.377,70 4.391}
{0 CHEMBL1813439,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 38.417,16 19.095,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.318,24 1.5,25 11.549,26 17.123,28 2.5,29 15.179,30 2,31 2,32 1,33 13.271,34 8.423,35 10.852,36 69.639,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.391,43 4.531,44 4.388,45 9.55,46 3.401,48 27.6,49 6.614,50 1.576,51 4,52 18.965,53 0.183,54 10.353,55 10.353,56 1.224,57 4.631,58 4.631,59 23.703,60 269,61 2,62 4.596,63 52.211,64 1,65 3.964,66 7.995,67 7.995,68 5.474,69 103.377,70 4.684}
{0 CHEMBL1813440,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 38.743,16 19.095,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.319,24 1.5,25 11.551,26 17.123,28 2.5,29 15.18,30 2,31 2,32 1,33 13.274,34 8.423,35 10.851,36 72.556,37 6.286,38 268,39 66,40 4.205,41 4.89,42 7.415,43 4.62,44 4.486,45 9.544,46 3.435,48 29.627,49 6.613,50 1.586,51 4,52 20.32,53 0.179,54 10.351,55 10.351,56 1.15,57 4.631,58 4.631,59 23.703,60 299,61 2,62 4.679,63 55.733,64 1,65 4.02,66 7.995,67 7.995,68 5.567,69 103.377,70 4.495}
{0 CHEMBL1813443,1 2,6 2,7 1,8 1,9 1,11 3,13 4,14 38.609,16 19.105,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.339,24 1.5,25 11.565,26 17.137,28 2.5,29 15.198,30 2,31 2,32 1,33 13.296,34 8.446,35 10.871,36 73.02,37 6.297,38 271,39 67,40 4.22,41 4.905,42 7.44,43 4.587,44 4.46,45 9.569,46 3.419,48 28.813,49 6.614,50 1.589,51 4,52 19.722,53 0.18,54 10.354,55 10.354,56 1.162,57 4.631,58 4.631,59 23.703,60 299,61 2,62 4.647,63 54.427,64 1,65 4.004,66 7.995,67 7.995,68 5.543,69 146.061,70 4.638}
{0 CHEMBL1813444,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 37.669,16 19.069,17 1,18 15.065,19 15.065,20 15.065,21 5,22 13.303,24 1.5,25 11.509,26 17.099,28 2.5,29 15.158,30 2,31 2,32 1,33 13.251,34 8.396,35 10.828,36 67.711,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.37,43 4.287,44 4.176,45 9.528,46 3.163,48 20.338,49 6.609,50 1.5,51 4,52 14.323,53 0.188,54 10.337,55 10.337,56 1.179,57 4.62,58 4.62,59 23.493,60 242,61 2,62 4.353,63 48.688,64 1,65 3.904,66 7.971,67 7.971,68 5.194,69 103.377,70 4.301}
{0 CHEMBL1813445,11 1,13 3,14 38.417,16 19.077,17 1,18 15.065,19 15.065,20 15.065,21 5,22 13.314,24 1.5,25 11.521,26 17.109,28 2.5,29 15.168,33 13.263,34 8.407,35 10.838,36 69.345,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.386,43 4.312,44 4.201,45 9.537,46 3.238,48 20.64,49 6.609,50 1.5,51 4,52 14.394,53 0.185,54 10.337,55 10.337,56 1.331,57 4.62,58 4.62,59 23.493,60 268,61 2,62 4.386,63 51,64 1,65 3.936,66 7.971,67 7.971,68 5.218,69 78.705,70 4.229}
{0 CHEMBL1813446,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 38.074,16 19.093,17 1,18 15.239,19 15.239,20 15.239,21 5,22 13.314,24 1.5,25 11.544,26 17.121,28 2.5,29 15.177,30 2,31 2,32 1,33 13.268,34 8.423,35 10.847,36 68.678,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.386,43 4.386,44 4.266,45 9.543,46 3.239,48 22.422,49 6.613,50 1.5,51 4,52 15.783,53 0.185,54 10.35,55 10.35,56 1.181,57 4.63,58 4.63,59 23.691,60 254,61 2,62 4.443,63 50.449,64 1,65 3.934,66 7.994,67 7.994,68 5.271,69 103.377,70 4.638}
{0 CHEMBL1813447,11 1,13 3,14 38.823,16 19.102,17 1,18 15.239,19 15.239,20 15.239,21 5,22 13.324,24 1.5,25 11.556,26 17.13,28 2.5,29 15.187,33 13.28,34 8.433,35 10.857,36 70.3,37 6.26,38 261,39 64,40 4.174,41 4.86,42 7.402,43 4.408,44 4.289,45 9.552,46 3.243,48 22.741,49 6.613,50 1.5,51 4,52 15.861,53 0.183,54 10.35,55 10.35,56 1.332,57 4.63,58 4.63,59 23.691,60 281,61 2,62 4.473,63 52.762,64 1,65 3.965,66 7.994,67 7.994,68 5.293,69 78.705,70 4.699}
{0 CHEMBL1813448,1 2,6 2,7 1,8 1,9 1,11 2,13 3,14 38.363,16 19.095,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.316,24 1.5,25 11.548,26 17.122,28 2.5,29 15.179,30 2,31 2,32 1,33 13.27,34 8.423,35 10.851,36 70.185,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.398,43 4.473,44 4.345,45 9.544,46 3.36,48 25.277,49 6.613,50 1.5,51 4,52 17.518,53 0.183,54 10.352,55 10.352,56 1.199,57 4.631,58 4.631,59 23.702,60 269,61 2,62 4.549,63 52.211,64 1,65 3.964,66 7.995,67 7.995,68 5.397,69 103.377,70 4.523}
{0 CHEMBL1813449,11 1,13 3,14 39.111,16 19.103,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.326,24 1.5,25 11.56,26 17.132,28 2.5,29 15.189,33 13.282,34 8.433,35 10.86,36 71.807,37 6.275,38 265,39 65,40 4.19,41 4.875,42 7.414,43 4.494,44 4.366,45 9.553,46 3.36,48 25.552,49 6.613,50 1.5,51 4,52 17.576,53 0.181,54 10.352,55 10.352,56 1.351,57 4.631,58 4.631,59 23.702,60 294,61 2,62 4.577,63 54.523,64 1,65 3.994,66 7.995,67 7.995,68 5.416,69 78.705,70 4.616}
{0 CHEMBL1813450,11 1,13 3,14 39.497,16 19.103,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.33,24 1.5,25 11.562,26 17.133,28 2.5,29 15.191,33 13.285,34 8.433,35 10.863,36 74.322,37 6.304,38 273,39 67,40 4.22,41 4.905,42 7.438,43 4.68,44 4.546,45 9.553,46 3.433,48 30.832,49 6.613,50 1.69,51 4,52 21.169,53 0.177,54 10.352,55 10.352,56 1.339,57 4.631,58 4.631,59 23.703,60 326,61 2,62 4.71,63 58.046,64 1,65 4.048,66 7.995,67 7.995,68 5.599,69 78.705,70 4.167}
{0 CHEMBL1813451,11 1,13 3,14 39.634,16 19.104,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.332,24 1.5,25 11.563,26 17.133,28 2.5,29 15.192,33 13.287,34 8.433,35 10.864,36 75.539,37 6.319,38 277,39 68,40 4.234,41 4.92,42 7.449,43 4.726,44 4.598,45 9.553,46 3.441,48 31.784,49 6.613,50 1.691,51 4,52 21.871,53 0.175,54 10.352,55 10.352,56 1.335,57 4.631,58 4.631,59 23.703,60 342,61 2,62 4.735,63 59.807,64 1,65 4.075,66 7.995,67 7.995,68 5.62,69 78.705,70 4.456}
{0 CHEMBL1813454,11 1,13 3,14 39.227,16 19.103,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.328,24 1.5,25 11.561,26 17.132,28 2.5,29 15.19,33 13.284,34 8.433,35 10.861,36 73.082,37 6.29,38 269,39 66,40 4.205,41 4.89,42 7.426,43 4.539,44 4.421,45 9.553,46 3.291,48 26.579,49 6.613,50 1.583,51 4,52 18.325,53 0.179,54 10.352,55 10.352,56 1.209,57 4.631,58 4.631,59 23.703,60 310,61 2,62 4.596,63 54.978,64 1,65 4.002,66 7.995,67 7.995,68 5.476,69 78.705,70 4.245}
{0 CHEMBL1813457,11 1,13 3,14 38.723,16 19.195,17 1,18 15.27,19 15.27,20 15.27,21 5,22 13.447,24 1.5,25 11.666,26 17.233,28 2.5,29 15.297,33 13.394,34 8.595,35 11.017,36 74.96,37 6.326,38 279,39 70,40 4.263,41 4.949,42 7.486,43 4.4,44 4.344,45 9.732,46 3.282,48 20.95,49 6.623,50 1.691,51 4,52 16.106,53 0.179,54 10.399,55 10.399,56 0.899,57 4.639,58 4.639,59 23.746,60 326,61 2,62 4.464,63 52.574,64 1,65 3.987,66 7.999,67 7.999,68 5.33,69 78.705,70 4.337}
{0 CHEMBL181502,13 3,14 12.547,16 17.859,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.618,24 0.823,25 10.553,26 16.043,28 1.901,29 14.24,33 12.458,34 7.438,35 9.896,36 47.726,37 5.861,38 175,39 43,40 3.784,41 4.466,42 7.017,43 4.172,44 3.949,45 8.608,46 3.128,48 20.898,49 6.499,50 1,51 4,52 14.257,53 0.213,54 10.039,55 10.039,56 1.603,57 4.03,58 4.03,59 17.286,60 123,62 4.307,63 40.648,64 1,65 3.694,66 6.531,67 6.531,68 5.087,70 5.131}
{0 CHEMBL1817909,16 17.921,18 11.783,19 11.783,20 11.783,21 3,22 12.734,24 0.741,25 10.551,26 16.049,28 1.823,29 14.194,33 12.364,34 7.338,35 9.848,36 44.94,37 5.771,38 160,39 39,40 3.689,41 4.369,42 6.821,43 4.385,44 4.147,45 8.531,46 3.374,48 24.78,49 6.03,50 0.844,52 17.169,53 0.217,54 8.392,55 8.392,56 0.98,57 4.286,58 4.286,59 19.783,60 201,62 4.421,63 49.66,65 3.816,66 6.981,67 6.981,68 5.271,70 5.185}
{0 CHEMBL1817910,16 17.921,18 11.783,19 11.783,20 11.783,21 3,22 12.675,24 0.702,25 10.551,26 16.049,28 1.724,29 14.194,33 12.364,34 7.338,35 9.848,36 44.875,37 5.771,38 160,39 39,40 3.689,41 4.369,42 6.821,43 4.46,44 4.203,45 8.531,46 3.384,48 26.933,49 6.03,50 0.802,52 18.676,53 0.217,54 8.392,55 8.392,56 1.147,57 4.286,58 4.286,59 19.783,60 201,62 4.514,63 51.183,65 3.839,66 6.981,67 6.981,68 5.401,70 5.108}
{0 CHEMBL1817911,16 17.919,18 11.775,19 11.775,20 11.775,21 3,22 12.73,24 0.826,25 10.554,26 16.048,28 1.879,29 14.195,33 12.367,34 7.338,35 9.839,36 46.122,37 5.796,38 164,39 40,40 3.714,41 4.394,42 6.855,43 4.458,44 4.217,45 8.509,46 3.401,48 26.828,49 6.026,50 0.877,52 18.611,53 0.214,54 8.378,55 8.378,56 1.134,57 4.28,58 4.28,59 19.775,60 212,62 4.506,63 51.421,65 3.85,66 6.979,67 6.979,68 5.357,70 5}
{0 CHEMBL1817912,16 17.919,18 11.775,19 11.775,20 11.775,21 3,22 12.73,24 0.826,25 10.554,26 16.048,28 1.879,29 14.195,33 12.367,34 7.338,35 9.839,36 46.122,37 5.796,38 164,39 40,40 3.714,41 4.394,42 6.855,43 4.458,44 4.217,45 8.509,46 3.401,48 26.828,49 6.026,50 0.877,52 18.611,53 0.214,54 8.378,55 8.378,56 1.134,57 4.28,58 4.28,59 19.775,60 212,62 4.506,63 51.421,65 3.85,66 6.979,67 6.979,68 5.357,70 5.337}
{0 CHEMBL1817913,16 17.919,18 11.775,19 11.775,20 11.775,21 3,22 12.67,24 0.78,25 10.554,26 16.048,28 1.786,29 14.195,33 12.367,34 7.338,35 9.839,36 46.045,37 5.796,38 164,39 40,40 3.714,41 4.394,42 6.855,43 4.538,44 4.276,45 8.509,46 3.411,48 29.332,49 6.026,50 0.852,52 20.362,53 0.214,54 8.378,55 8.378,56 1.284,57 4.28,58 4.28,59 19.775,60 212,62 4.602,63 52.944,65 3.872,66 6.979,67 6.979,68 5.496,70 4.817}
{0 CHEMBL1817914,16 17.919,18 11.774,19 11.774,20 11.774,21 3,22 12.731,24 0.845,25 10.556,26 16.049,28 1.891,29 14.197,33 12.371,34 7.338,35 9.835,36 46.982,37 5.82,38 168,39 41,40 3.738,41 4.419,42 6.864,43 4.527,44 4.281,45 8.506,46 3.419,48 28.867,49 6.025,50 0.902,52 20.047,53 0.211,54 8.374,55 8.374,56 1.277,57 4.277,58 4.277,59 19.774,60 223,62 4.584,63 53.183,65 3.882,66 6.978,67 6.978,68 5.436,70 5.076}
{0 CHEMBL1817915,16 17.919,18 11.774,19 11.774,20 11.774,21 3,22 12.731,24 0.845,25 10.556,26 16.049,28 1.891,29 14.197,33 12.371,34 7.338,35 9.835,36 46.982,37 5.82,38 168,39 41,40 3.738,41 4.419,42 6.864,43 4.527,44 4.281,45 8.506,46 3.419,48 28.867,49 6.025,50 0.902,52 20.047,53 0.211,54 8.374,55 8.374,56 1.277,57 4.277,58 4.277,59 19.774,60 223,62 4.584,63 53.183,65 3.882,66 6.978,67 6.978,68 5.436,70 4.318}
{0 CHEMBL1817916,16 17.919,18 11.774,19 11.774,20 11.774,21 3,22 12.671,24 0.802,25 10.556,26 16.049,28 1.81,29 14.197,33 12.371,34 7.338,35 9.835,36 46.906,37 5.82,38 168,39 41,40 3.738,41 4.419,42 6.864,43 4.611,44 4.344,45 8.506,46 3.428,48 31.723,49 6.025,50 0.885,52 22.043,53 0.211,54 8.374,55 8.374,56 1.412,57 4.277,58 4.277,59 19.774,60 223,62 4.683,63 54.706,65 3.903,66 6.978,67 6.978,68 5.582,70 4.425}
{0 CHEMBL1817917,13 2,14 13.317,16 18.502,18 12.506,19 12.506,20 12.506,21 6,22 13.199,24 1.5,25 11.076,26 16.624,28 2.5,29 14.766,33 12.936,34 8.05,35 10.492,36 62.467,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.272,43 4.353,44 4.196,45 9.221,46 3.31,48 22.233,49 6.321,50 1.5,51 4,52 15.444,53 0.19,54 9.687,55 9.687,56 0.883,57 4.31,58 4.31,59 19.838,60 196,62 4.431,63 50.768,65 3.921,66 7.307,67 7.307,68 5.175,69 18.011,70 8.478}
{0 CHEMBL181858,13 2,14 13.068,16 17.85,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.817,24 1.5,25 10.603,26 16.055,28 2.5,29 14.277,33 12.521,34 7.526,35 9.926,36 59.134,37 6.047,38 211,39 52,40 3.97,41 4.654,42 7.141,43 4.527,44 4.34,45 8.633,46 3.307,48 28.001,49 6.447,50 1.5,51 4,52 19.171,53 0.192,54 9.928,55 9.928,56 1.193,57 4.01,58 4.01,59 16.911,60 224,62 4.553,63 49.631,64 1,65 3.88,66 6.499,67 6.499,68 5.374,69 18.011,70 6.959}
{0 CHEMBL181913,13 2,14 35.742,16 18.4,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.32,24 1.5,25 10.951,26 16.531,28 2.5,29 14.68,33 12.852,34 7.951,35 10.399,36 59.755,37 6.061,38 214,39 54,40 4.007,41 4.691,42 7.195,43 4.414,44 4.223,45 9.137,46 3.358,48 25.238,49 6.499,50 1.5,51 4,52 17.955,53 0.197,54 10.177,55 10.177,56 0.946,57 4.229,58 4.229,59 18.545,60 174,62 4.464,63 47.211,64 2,65 3.853,66 7.111,67 7.111,68 5.265,69 31.291,70 7.041}
{0 CHEMBL181967,13 2,14 12.743,16 17.898,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.878,24 1.25,25 10.619,26 16.105,28 2.288,29 14.325,33 12.564,34 7.542,35 9.97,36 56.228,37 5.999,38 201,39 50,40 3.932,41 4.615,42 7.112,43 4.392,44 4.188,45 8.705,46 3.211,48 24.324,49 6.343,50 1.5,51 4,52 17.54,53 0.201,54 9.449,55 9.449,56 0.984,57 4.009,58 4.009,59 16.917,60 166,62 4.424,63 44.608,64 1,65 3.786,66 6.499,67 6.499,68 5.194,69 18.011,70 6.432}
{0 CHEMBL182010,13 2,14 13.052,16 17.875,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.884,24 1.249,25 10.639,26 16.088,28 2.287,29 14.317,33 12.565,34 7.561,35 9.974,36 58.47,37 6.043,38 210,39 52,40 3.97,41 4.654,42 7.149,43 4.447,44 4.277,45 8.701,46 3.265,48 25.244,49 6.343,50 1.5,51 4,52 17.796,53 0.195,54 9.453,55 9.453,56 0.765,57 4.01,58 4.01,59 16.92,60 160,62 4.518,63 48.08,64 1,65 3.853,66 6.499,67 6.499,68 5.341,70 5.569}
{0 CHEMBL182074,13 3,14 36.888,16 18.559,17 1,18 11.657,19 11.657,20 11.657,21 5,22 13.395,24 1.5,25 11.129,26 16.682,28 2.5,29 14.823,33 12.986,34 8.118,35 10.553,36 65.769,37 6.159,38 236,39 59,40 4.094,41 4.779,42 7.294,43 4.541,44 4.346,45 9.291,46 3.579,48 28.425,49 6.769,50 1.5,51 4,52 20.309,53 0.188,54 11.061,55 11.061,56 0.94,57 4.181,58 4.181,59 18.555,60 188,62 4.594,63 50.728,64 2,65 3.939,66 7.111,67 7.111,68 5.37,70 7.394}
{0 CHEMBL182083,13 2,14 13.179,16 18.144,17 1,18 10.195,19 10.195,20 10.195,21 4,22 13.014,24 1.5,25 10.867,26 16.33,28 2.5,29 14.531,33 12.751,34 7.888,35 10.292,36 61.999,37 6.111,38 225,39 57,40 4.06,41 4.745,42 7.235,43 4.506,44 4.336,45 9.038,46 3.308,48 27.34,49 6.457,50 1.5,51 4,52 19.69,53 0.189,54 10.177,55 10.177,56 0.583,57 4.01,58 4.01,59 16.929,60 212,62 4.573,63 48.438,64 1,65 3.889,66 6.499,67 6.499,68 5.38,70 6.456}
{0 CHEMBL182188,13 2,14 38.58,16 19.129,17 1,18 13.634,19 13.634,20 13.634,21 5,22 13.479,24 1.368,25 11.503,26 17.158,28 2.44,29 15.203,33 13.272,34 8.445,35 10.918,36 57.946,37 6.071,38 216,39 54,40 4.007,41 4.691,42 7.236,43 4.554,44 4.377,45 9.628,46 3.313,48 27.326,49 7.454,50 1.5,51 3,52 20.113,53 0.204,54 13.046,55 13.046,56 1.395,57 4.506,58 4.506,59 21.681,60 158,62 4.548,63 45.972,64 4,65 3.813,66 7.664,67 7.664,68 5.354,70 7.553}
{0 CHEMBL182234,13 3,14 12.375,16 17.682,17 1,18 10.177,19 10.177,20 10.177,21 3,22 12.527,24 0.794,25 10.399,26 15.881,28 1.895,29 14.095,33 12.33,34 7.318,35 9.735,36 46.432,37 5.796,38 164,39 41,40 3.738,41 4.419,42 6.901,43 4.238,44 4.003,45 8.465,46 3.153,48 22.526,49 6.338,50 1,51 4,52 15.378,53 0.22,54 9.422,55 9.422,56 1.234,57 4.01,58 4.01,59 16.911,60 123,62 4.353,63 41.41,64 1,65 3.682,66 6.499,67 6.499,68 5.162,70 5.469}
{0 CHEMBL182266,13 2,14 12.739,16 17.855,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.731,24 1.222,25 10.551,26 16.04,28 2.273,29 14.24,33 12.462,34 7.438,35 9.878,36 51.093,37 5.905,38 183,39 45,40 3.829,41 4.511,42 7.009,43 4.207,44 4.003,45 8.585,46 3.144,48 21.157,49 6.499,50 1.5,51 4,52 14.45,53 0.207,54 10.026,55 10.026,56 1.302,57 4.018,58 4.018,59 17.302,60 135,62 4.336,63 41.131,64 1,65 3.712,66 6.527,67 6.527,68 5.095,70 5.215}
{0 CHEMBL182274,13 2,14 12.714,15 2,16 17.898,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.878,24 1.25,25 10.619,26 16.105,28 2.288,29 14.325,33 12.564,34 7.542,35 9.97,36 56.25,37 5.999,38 201,39 50,40 3.932,41 4.615,42 7.112,43 4.341,44 4.163,45 8.705,46 3.259,48 23.293,49 6.343,50 1.5,51 4,52 16.906,53 0.201,54 9.449,55 9.449,56 0.771,57 4.01,58 4.01,59 16.917,60 166,62 4.404,63 43.523,64 1,65 3.784,66 6.499,67 6.499,68 5.205,70 6.161}
{0 CHEMBL182279,13 2,14 13.055,16 17.851,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.874,24 1.304,25 10.6,26 16.055,28 2.5,29 14.274,33 12.515,34 7.526,35 9.921,36 58.553,37 6.009,38 203,39 50,40 3.932,41 4.615,42 7.109,43 4.448,44 4.248,45 8.636,46 3.286,48 26.31,49 6.449,50 1.5,51 4,52 18.364,53 0.197,54 9.921,55 9.921,56 1.115,57 4.01,58 4.01,59 16.911,60 198,62 4.509,63 46.654,64 1,65 3.834,66 6.499,67 6.499,68 5.275,70 7.18}
{0 CHEMBL182380,13 2,14 36.311,16 18.426,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.33,24 1.5,25 10.983,26 16.556,28 2.5,29 14.703,33 12.874,34 7.984,35 10.418,36 63.119,37 6.103,38 223,39 56,40 4.043,41 4.727,42 7.229,43 4.515,44 4.331,45 9.152,46 3.406,48 26.881,49 6.499,50 1.5,51 4,52 18.834,53 0.192,54 10.177,55 10.177,56 1.098,57 4.179,58 4.179,59 18.533,60 200,62 4.534,63 50.733,64 2,65 3.913,66 7.111,67 7.111,68 5.338,69 18.011,70 7.31}
{0 CHEMBL182403,13 2,14 25.254,16 17.984,17 1,18 10.252,19 10.252,20 10.252,21 4,22 12.854,24 1.298,25 10.659,26 16.164,28 2.393,29 14.358,33 12.572,34 7.545,35 9.987,36 55.181,37 5.969,38 195,39 48,40 3.892,41 4.575,42 7.076,43 4.341,44 4.136,45 8.705,46 3.264,48 24.041,49 6.499,50 1.5,51 4,52 16.773,53 0.202,54 10.177,55 10.177,56 1.141,57 4.082,58 4.082,59 17.61,60 150,62 4.399,63 43.341,64 1,65 3.771,66 6.608,67 6.608,68 5.18,70 5.229}
{0 CHEMBL182557,13 2,14 12.72,15 1,16 17.872,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.806,24 1.248,25 10.584,26 16.071,28 2.287,29 14.283,33 12.515,34 7.493,35 9.924,36 54.034,37 5.964,38 194,39 48,40 3.892,41 4.575,42 7.071,43 4.342,44 4.151,45 8.646,46 3.255,48 23.489,49 6.354,50 1.5,51 4,52 16.882,53 0.202,54 9.5,55 9.5,56 1.142,57 4.01,58 4.01,59 16.954,60 146,62 4.404,63 43.586,64 1,65 3.775,66 6.499,67 6.499,68 5.199,70 5.721}
{0 CHEMBL182682,13 2,14 13.016,16 17.964,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.912,24 1.25,25 10.691,26 16.166,28 2.288,29 14.381,33 12.615,34 7.615,35 10.021,36 58.416,37 6.047,38 211,39 52,40 3.97,41 4.654,42 7.154,43 4.429,44 4.255,45 8.751,46 3.269,48 25.133,49 6.344,50 1.5,51 4,52 17.595,53 0.195,54 9.465,55 9.465,56 0.955,57 4.01,58 4.01,59 16.919,60 182,62 4.499,63 48.08,64 1,65 3.853,66 6.499,67 6.499,68 5.303,70 6.187}
{0 CHEMBL182684,13 2,14 12.837,16 18.103,17 1,18 10.195,19 10.195,20 10.195,21 4,22 12.991,24 1.5,25 10.817,26 16.294,28 2.5,29 14.499,33 12.722,34 7.851,35 10.262,36 59.428,37 6.071,38 216,39 55,40 4.025,41 4.71,42 7.201,43 4.382,44 4.215,45 9.016,46 3.268,48 24.261,49 6.455,50 1.5,51 4,52 17.537,53 0.194,54 10.177,55 10.177,56 0.573,57 4.01,58 4.01,59 16.929,60 196,62 4.44,63 45.677,64 1,65 3.836,66 6.499,67 6.499,68 5.268,70 6.538}
{0 CHEMBL182731,13 2,14 24.533,16 17.927,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.903,24 1.5,25 10.648,26 16.132,28 2.5,29 14.352,33 12.591,34 7.579,35 9.99,36 59.355,37 6.043,38 210,39 52,40 3.97,41 4.654,42 7.149,43 4.409,44 4.223,45 8.721,46 3.292,48 25.065,49 6.342,50 1.5,51 4,52 17.44,53 0.195,54 9.443,55 9.443,56 1.116,57 4.01,58 4.01,59 16.911,60 206,62 4.469,63 47.319,64 2,65 3.848,66 6.499,67 6.499,68 5.25,70 6.201}
{0 CHEMBL182780,13 2,14 12.957,16 17.846,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.805,24 1.327,25 10.593,26 16.051,28 2.35,29 14.273,33 12.516,34 7.526,35 9.918,36 57.486,37 6.028,38 207,39 51,40 3.951,41 4.635,42 7.125,43 4.487,44 4.297,45 8.631,46 3.272,48 26.518,49 6.441,50 1.5,51 4,52 18.194,53 0.194,54 9.882,55 9.882,56 1.165,57 4.01,58 4.01,59 16.911,60 216,62 4.503,63 48.631,64 1,65 3.859,66 6.499,67 6.499,68 5.316,69 18.011,70 7.377}
{0 CHEMBL182817,13 2,14 13.068,16 18.141,17 1,18 10.195,19 10.195,20 10.195,21 4,22 13.004,24 1.5,25 10.86,26 16.327,28 2.5,29 14.528,33 12.747,34 7.888,35 10.286,36 60.508,37 6.094,38 221,39 56,40 4.043,41 4.727,42 7.22,43 4.46,44 4.286,45 9.036,46 3.278,48 26.251,49 6.455,50 1.5,51 4,52 18.899,53 0.192,54 10.177,55 10.177,56 0.572,57 4.01,58 4.01,59 16.929,60 204,62 4.52,63 47.438,64 1,65 3.868,66 6.499,67 6.499,68 5.338,70 6.509}
{0 CHEMBL182878,13 2,14 24.12,16 17.826,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.857,24 1.5,25 10.584,26 16.041,28 2.5,29 14.271,33 12.523,34 7.513,35 9.928,36 58.734,37 6.033,38 208,39 52,40 3.97,41 4.654,42 7.14,43 4.416,44 4.228,45 8.653,46 3.327,48 25.075,49 6.342,50 1.5,51 4,52 17.427,53 0.195,54 9.442,55 9.442,56 0.88,57 4.01,58 4.01,59 16.911,60 204,62 4.479,63 47.87,64 1,65 3.854,66 6.499,67 6.499,68 5.263,69 18.011,70 6.167}
{0 CHEMBL182929,13 3,14 35.157,16 18.15,17 1,18 11.061,19 11.061,20 11.061,21 5,22 13.055,24 1.5,25 10.86,26 16.33,28 2.5,29 14.526,33 12.743,34 7.794,35 10.197,36 63.157,37 6.12,38 227,39 56,40 4.043,41 4.727,42 7.233,43 4.485,44 4.299,45 8.929,46 3.35,48 26.884,49 6.499,50 1.5,51 4,52 18.689,53 0.189,54 10.177,55 10.177,56 0.923,57 4.122,58 4.122,59 17.926,60 195,62 4.552,63 47.563,64 2,65 3.878,66 6.77,67 6.77,68 5.32,70 6.509}
{0 CHEMBL182940,13 2,14 12.943,16 17.829,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.79,24 1.319,25 10.577,26 16.032,28 2.345,29 14.252,33 12.495,34 7.496,35 9.903,36 56.071,37 6.004,38 202,39 50,40 3.932,41 4.615,42 7.104,43 4.48,44 4.293,45 8.616,46 3.274,48 25.766,49 6.441,50 1.5,51 4,52 17.821,53 0.197,54 9.882,55 9.882,56 1.369,57 4.01,58 4.01,59 16.911,60 167,62 4.498,63 48.177,64 1,65 3.85,66 6.499,67 6.499,68 5.294,69 18.011,70 7.456}
{0 CHEMBL183261,13 2,14 13.054,16 17.833,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.802,24 1.5,25 10.587,26 16.036,28 2.5,29 14.257,33 12.5,34 7.496,35 9.911,36 57.751,37 6.023,38 206,39 51,40 3.951,41 4.635,42 7.12,43 4.521,44 4.336,45 8.618,46 3.307,48 27.213,49 6.447,50 1.5,51 4,52 18.798,53 0.194,54 9.928,55 9.928,56 1.409,57 4.01,58 4.01,59 16.911,60 170,62 4.549,63 49.177,64 1,65 3.871,66 6.499,67 6.499,68 5.353,69 18.011,70 6.62}
{0 CHEMBL183293,13 2,14 12.786,16 17.776,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.772,24 1.25,25 10.52,26 15.986,28 2.288,29 14.212,33 12.459,34 7.441,35 9.865,36 54.015,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.066,43 4.367,44 4.159,45 8.585,46 3.261,48 24.365,49 6.342,50 1.5,51 4,52 17.213,53 0.202,54 9.442,55 9.442,56 1.033,57 4.01,58 4.01,59 16.911,60 173,62 4.418,63 44.506,64 1,65 3.785,66 6.499,67 6.499,68 5.187,70 6.097}
{0 CHEMBL183406,13 2,14 12.627,16 17.732,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.692,24 1.259,25 10.466,26 15.938,28 2.293,29 14.16,33 12.404,34 7.376,35 9.81,36 53.452,37 5.943,38 190,39 47,40 3.871,41 4.554,42 7.04,43 4.376,44 4.178,45 8.511,46 3.248,48 24.143,49 6.332,50 1.5,51 4,52 16.677,53 0.201,54 9.391,55 9.391,56 1.422,57 4.009,58 4.009,59 16.911,60 169,62 4.398,63 44.654,64 1,65 3.783,66 6.499,67 6.499,68 5.211,69 18.011,70 7}
{0 CHEMBL183409,13 2,14 12.884,16 17.8,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.789,24 1.25,25 10.545,26 16.01,28 2.288,29 14.237,33 12.483,34 7.473,35 9.886,36 57.787,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.088,43 4.415,44 4.203,45 8.605,46 3.275,48 25.565,49 6.342,50 1.5,51 4,52 18.329,53 0.199,54 9.442,55 9.442,56 1.172,57 4.01,58 4.01,59 16.911,60 194,62 4.457,63 47.057,64 1,65 3.831,66 6.499,67 6.499,68 5.242,70 6.252}
{0 CHEMBL183492,13 2,14 12.966,16 17.797,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.721,24 1.5,25 10.545,26 15.993,28 2.5,29 14.206,33 12.442,34 7.434,35 9.859,36 54.659,37 5.969,38 195,39 48,40 3.892,41 4.575,42 7.062,43 4.461,44 4.254,45 8.553,46 3.307,48 26.813,49 6.455,50 1.5,51 4,52 18.54,53 0.198,54 9.965,55 9.965,56 1.281,57 4.01,58 4.01,59 16.911,60 156,62 4.528,63 45.654,64 1,65 3.805,66 6.499,67 6.499,68 5.301,69 18.011,70 5.678}
{0 CHEMBL183514,13 2,14 12.723,15 1,16 17.781,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.774,24 1.248,25 10.529,26 15.99,28 2.287,29 14.215,33 12.461,34 7.441,35 9.871,36 53.909,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.066,43 4.342,44 4.151,45 8.59,46 3.257,48 23.489,49 6.342,50 1.5,51 4,52 16.882,53 0.202,54 9.445,55 9.445,56 0.861,57 4.01,58 4.01,59 16.914,60 148,62 4.405,63 43.586,64 1,65 3.775,66 6.499,67 6.499,68 5.199,70 5.854}
{0 CHEMBL183553,13 2,14 12.828,16 17.872,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.806,24 1.248,25 10.584,26 16.071,28 2.287,29 14.283,33 12.515,34 7.493,35 9.924,36 54.054,37 5.964,38 194,39 48,40 3.892,41 4.575,42 7.071,43 4.383,44 4.172,45 8.646,46 3.256,48 24.525,49 6.354,50 1.5,51 4,52 17.53,53 0.202,54 9.5,55 9.5,56 1.175,57 4.01,58 4.01,59 16.954,60 146,62 4.443,63 44.506,64 1,65 3.785,66 6.499,67 6.499,68 5.193,70 5.444}
{0 CHEMBL183554,13 2,14 13.099,16 17.869,17 1,18 10.177,19 10.177,20 10.177,21 5,22 12.946,24 1.5,25 10.64,26 16.089,28 2.5,29 14.326,33 12.584,34 7.561,35 9.99,36 65.586,37 6.151,38 234,39 58,40 4.078,41 4.762,42 7.251,43 4.542,44 4.348,45 8.691,46 3.391,48 29.102,49 6.342,50 1.5,51 4,52 20.416,53 0.181,54 9.442,55 9.442,56 1.226,57 4.01,58 4.01,59 16.911,60 264,62 4.612,63 53.387,64 1,65 3.975,66 6.499,67 6.499,68 5.376,70 5.456}
{0 CHEMBL183709,9 1,13 2,14 12.757,16 17.776,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.772,24 1.25,25 10.52,26 15.986,28 2.288,29 14.212,33 12.459,34 7.441,35 9.865,36 53.856,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.066,43 4.352,44 4.153,45 8.585,46 3.258,48 24.019,49 6.342,50 1.5,51 4,52 16.744,53 0.202,54 9.442,55 9.442,56 0.974,57 4.01,58 4.01,59 16.911,60 173,62 4.416,63 44.103,64 1,65 3.781,66 6.499,67 6.499,68 5.2,69 42.683,70 6.328}
{0 CHEMBL183710,13 2,14 12.735,16 17.781,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.774,24 1.248,25 10.529,26 15.99,28 2.287,29 14.215,33 12.461,34 7.441,35 9.871,36 53.762,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.066,43 4.389,44 4.183,45 8.59,46 3.215,48 24.579,49 6.342,50 1.5,51 4,52 17.013,53 0.202,54 9.445,55 9.445,56 1.229,57 4.009,58 4.009,59 16.914,60 148,62 4.422,63 44.654,64 1,65 3.783,66 6.499,67 6.499,68 5.213,69 18.011,70 5.229}
{0 CHEMBL183746,13 3,14 13.069,16 17.921,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.779,24 1.393,25 10.639,26 16.114,28 2.406,29 14.321,33 12.549,34 7.545,35 9.958,36 56.126,37 6.009,38 203,39 50,40 3.932,41 4.615,42 7.109,43 4.527,44 4.317,45 8.672,46 3.298,48 28.695,49 6.453,50 1.5,51 4,52 19.773,53 0.197,54 9.934,55 9.934,56 1.34,57 4.01,58 4.01,59 16.97,60 169,62 4.561,63 48.177,64 1,65 3.85,66 6.499,67 6.499,68 5.378,69 18.011,70 5.268}
{0 CHEMBL183769,13 2,14 12.893,16 17.805,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.791,24 1.248,25 10.555,26 16.015,28 2.287,29 14.24,33 12.486,34 7.473,35 9.893,36 55.321,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.088,43 4.389,44 4.203,45 8.611,46 3.261,48 24.129,49 6.342,50 1.5,51 4,52 16.965,53 0.199,54 9.446,55 9.446,56 0.967,57 4.01,58 4.01,59 16.915,60 170,62 4.451,63 45.864,64 1,65 3.811,66 6.499,67 6.499,68 5.244,70 6.167}
{0 CHEMBL183875,13 2,14 12.88,16 17.911,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.88,24 1.25,25 10.633,26 16.114,28 2.288,29 14.331,33 12.568,34 7.551,35 9.977,36 55.877,37 5.999,38 201,39 50,40 3.932,41 4.615,42 7.112,43 4.405,44 4.197,45 8.71,46 3.262,48 24.713,49 6.356,50 1.5,51 4,52 17.883,53 0.201,54 9.509,55 9.509,56 0.982,57 4.01,58 4.01,59 16.965,60 168,62 4.454,63 45.364,64 1,65 3.804,66 6.499,67 6.499,68 5.197,70 5.585}
{0 CHEMBL183885,13 2,14 25.882,16 18.286,17 1,18 11.253,19 11.253,20 11.253,21 6,22 13.047,24 1.5,25 10.948,26 16.445,28 2.5,29 14.619,33 12.813,34 7.811,35 10.279,36 60.426,37 6.094,38 221,39 54,40 4.007,41 4.691,42 7.209,43 4.393,44 4.2,45 8.997,46 3.281,48 24.711,49 6.499,50 1.5,51 4,52 17.24,53 0.194,54 10.177,55 10.177,56 1.325,57 4.226,58 4.226,59 18.889,60 139,62 4.456,63 45.347,64 4,65 3.827,66 6.846,67 6.846,68 5.249,70 5.387}
{0 CHEMBL183907,13 2,14 12.755,15 1,16 17.889,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.809,24 1.231,25 10.592,26 16.08,28 2.278,29 14.287,33 12.514,34 7.499,35 9.926,36 53.001,37 5.943,38 190,39 47,40 3.871,41 4.554,42 7.054,43 4.243,44 4.052,45 8.648,46 3.177,48 21.812,49 6.499,50 1.5,51 4,52 15.622,53 0.205,54 10.03,55 10.03,56 1.025,57 4.022,58 4.022,59 17.304,60 156,62 4.361,63 41.824,64 1,65 3.739,66 6.528,67 6.528,68 5.14,70 5.143}
{0 CHEMBL1907216,13 1,16 16.948,18 9.175,19 9.175,20 9.175,21 3,22 12.308,24 -0.272,25 9.817,26 15.215,28 0.933,29 13.497,33 11.801,34 6.763,35 9.209,36 36.667,37 5.549,38 128,39 32,40 3.497,41 4.174,42 6.624,43 3.803,44 3.64,45 7.912,46 2.856,48 11.745,49 5.353,50 0.057,52 9.38,53 0.241,54 6.999,55 6.999,56 1.243,57 3.859,58 3.859,59 15.474,60 79,61 1,62 3.854,63 30.642,65 3.414,66 6.172,67 6.172,68 4.523,69 18.011,70 4.735}
{0 CHEMBL1910166,13 1,14 12.16,15 1,16 17.127,17 1,18 8.755,19 8.755,20 8.755,21 3,22 12.604,24 0.869,25 10.012,26 15.42,28 2,29 13.725,33 12.046,34 7.018,35 9.421,36 50.019,37 5.79,38 163,39 41,40 3.738,41 4.419,42 6.878,43 3.907,44 3.772,45 8.137,46 3.094,48 13.962,49 5.494,50 1,51 2,52 9.933,53 0.215,54 7.396,55 7.396,56 1.121,57 3.853,58 3.853,59 14.808,60 158,62 3.949,63 37.762,65 3.628,66 6.063,67 6.063,68 4.787,69 18.011,70 6}
{0 CHEMBL1910167,13 2,14 26.591,15 1,16 18.692,17 1,18 13.92,19 13.92,20 13.92,21 4,22 13.341,24 1,25 11.142,26 16.744,28 2,29 14.826,33 12.944,34 8.072,35 10.535,36 56.564,37 6.033,38 208,39 52,40 3.97,41 4.654,42 7.174,43 4.152,44 3.965,45 9.24,46 3.094,48 19.497,49 6.073,50 1,52 14.68,53 0.202,54 8.452,55 8.452,56 0.907,57 4.472,58 4.472,59 22.206,60 194,62 4.296,63 44.358,64 3,65 3.791,66 7.725,67 7.725,68 5.097,70 5.545}
{0 CHEMBL1910168,13 2,14 26.44,15 1,16 18.725,17 1,18 13.919,19 13.919,20 13.919,21 4,22 13.346,24 1,25 11.165,26 16.776,28 2,29 14.853,33 12.963,34 8.089,35 10.553,36 53.694,37 5.994,38 200,39 50,40 3.932,41 4.615,42 7.143,43 4.076,44 3.859,45 9.262,46 3.069,48 19.388,49 6.148,50 1,52 14.365,53 0.208,54 9.076,55 9.076,56 0.969,57 4.472,58 4.472,59 22.203,60 166,62 4.209,63 42.142,64 3,65 3.746,66 7.725,67 7.725,68 5.047,70 5.886}
{0 CHEMBL191139,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.515,16 18.313,17 2,18 11.107,19 11.107,20 11.107,21 7,22 13.087,23 4,24 1.5,25 11.028,26 16.48,27 2,28 2.5,29 14.663,30 2,31 1,32 1,33 12.867,34 7.892,35 10.346,36 65.474,37 6.196,38 245,39 60,40 4.111,41 4.796,42 7.307,43 4.64,44 4.472,45 9.059,46 3.299,47 1,48 31.062,49 6.535,50 1.646,51 1,52 21.296,53 0.183,54 10.309,55 10.309,56 0.926,57 4.178,58 4.178,59 18.136,60 202,61 1,62 4.691,63 51.398,64 1,65 3.947,66 6.774,67 6.774,68 5.504,69 42.683,70 8.201}
{0 CHEMBL191803,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.279,16 18.3,17 2,18 10.887,19 10.887,20 10.887,21 7,22 13.095,23 4,24 1.471,25 11.017,26 16.471,27 2,28 2.481,29 14.656,30 2,31 1,32 1,33 12.862,34 7.883,35 10.348,36 62.152,37 6.163,38 237,39 58,40 4.078,41 4.762,42 7.313,43 4.498,44 4.34,45 9.067,46 3.314,47 1,48 26.863,49 6.632,50 1.5,51 1,52 18.281,53 0.188,54 10.689,55 10.689,56 1,57 4.142,58 4.142,59 18.015,60 174,61 1,62 4.571,63 47.12,64 2,65 3.871,66 6.706,67 6.706,68 5.38,69 42.683,70 7.921}
{0 CHEMBL192456,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 24.782,16 18.474,17 2,18 11.148,19 11.148,20 11.148,21 7,22 13.085,23 4,24 1.5,25 11.159,26 16.626,27 2,28 2.5,29 14.793,30 2,31 1,33 12.981,34 8.013,35 10.449,36 68.251,37 6.232,38 254,39 62,40 4.143,41 4.828,42 7.356,43 4.602,44 4.449,45 9.164,46 3.284,48 29.439,49 6.774,50 1.668,51 5,52 20.203,53 0.182,54 11.107,55 11.107,56 0.85,57 4.179,58 4.179,59 18.515,60 176,61 1,62 4.669,63 51.091,64 2,65 3.95,66 6.786,67 6.786,68 5.488,69 42.683,70 7}
{0 CHEMBL1926872,13 2,14 12.533,16 18.57,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.22,24 1.5,25 11.12,26 16.696,28 2.5,29 14.839,33 13.004,34 8.102,35 10.539,36 64.044,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.29,43 4.443,44 4.338,45 9.286,46 3.182,48 22.603,49 6.674,50 1.532,51 6,52 17.992,53 0.191,54 10.573,55 10.573,56 0.74,57 4.178,58 4.178,59 18.616,60 200,62 4.517,63 47.188,65 3.861,66 7.111,67 7.111,68 5.32,69 18.011,70 7.469}
{0 CHEMBL1926873,13 2,14 12.552,16 18.091,17 1,18 10.573,19 10.573,20 10.573,21 4,22 12.998,24 1.5,25 10.789,26 16.275,28 2.5,29 14.475,33 12.696,34 7.706,35 10.111,36 60.729,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.192,43 4.437,44 4.292,45 8.846,46 3.153,48 23.373,49 6.52,50 1.5,51 6,52 16.916,53 0.194,54 10.274,55 10.274,56 0.681,57 4.031,58 4.031,59 17.335,60 176,62 4.501,63 47.83,65 3.846,66 6.674,67 6.674,68 5.263,69 18.011,70 7.301}
{0 CHEMBL1926874,13 2,14 12.546,16 18.326,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.165,24 1.5,25 11.008,26 16.499,28 2.5,29 14.687,33 12.893,34 8.017,35 10.422,36 65.095,37 6.159,38 236,39 60,40 4.111,41 4.796,42 7.295,43 4.432,44 4.323,45 9.182,46 3.161,48 22.532,49 6.522,50 1.549,51 6,52 16.989,53 0.189,54 10.287,55 10.287,56 0.52,57 4.031,58 4.031,59 17.342,60 212,62 4.5,63 47.642,65 3.87,66 6.674,67 6.674,68 5.279,69 18.011,70 7.585}
{0 CHEMBL1926875,13 2,14 12.542,16 18.091,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.056,24 1.5,25 10.789,26 16.275,28 2.5,29 14.475,33 12.696,34 7.706,35 10.111,36 63.129,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.192,43 4.427,44 4.277,45 8.846,46 3.177,48 22.831,49 6.52,50 1.5,51 6,52 16.362,53 0.194,54 10.274,55 10.274,56 0.702,57 4.031,58 4.031,59 17.335,60 176,62 4.51,63 46.858,65 3.836,66 6.674,67 6.674,68 5.225,69 18.011,70 7.721}
{0 CHEMBL1926876,13 2,14 24.493,16 18.187,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.092,24 1.5,25 10.871,26 16.37,28 2.5,29 14.567,33 12.784,34 7.791,35 10.194,36 64.894,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.248,43 4.472,44 4.346,45 8.938,46 3.207,48 23.34,49 6.521,50 1.528,51 6,52 17.099,53 0.19,54 10.278,55 10.278,56 0.841,57 4.031,58 4.031,59 17.345,60 200,62 4.544,63 49.284,64 1,65 3.882,66 6.674,67 6.674,68 5.297,69 18.011,70 7.046}
{0 CHEMBL1926877,13 2,14 24.992,16 18.263,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.133,24 1.5,25 10.929,26 16.442,28 2.5,29 14.635,33 12.848,34 7.849,35 10.258,36 66.728,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.283,43 4.51,44 4.382,45 9.009,46 3.335,48 23.918,49 6.523,50 1.547,51 6,52 16.943,53 0.188,54 10.28,55 10.28,56 0.942,57 4.031,58 4.031,59 17.363,60 212,62 4.575,63 51.597,64 1,65 3.915,66 6.674,67 6.674,68 5.318,69 18.011,70 6.936}
{0 CHEMBL1926878,1 2,6 2,7 1,8 1,9 1,11 1,13 2,14 23.781,16 18.258,17 1,18 10.573,19 10.573,20 10.573,21 5,22 13.258,24 1.759,25 10.97,26 16.453,28 2.721,29 14.663,30 2,31 2,33 12.894,34 7.899,35 10.304,36 75.127,37 6.29,38 269,39 67,40 4.22,41 4.905,42 7.407,43 4.564,44 4.448,45 9.044,46 3.463,48 25.176,49 6.52,50 1.785,51 6,52 18.659,53 0.175,54 10.274,55 10.274,56 0.824,57 4.031,58 4.031,59 17.337,60 303,62 4.639,63 55.5,65 4.02,66 6.674,67 6.674,68 5.368,69 60.694,70 7.959}
{0 CHEMBL1926880,13 2,14 12.551,16 18.105,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.046,24 1.5,25 10.81,26 16.292,28 2.5,29 14.496,33 12.721,34 7.73,35 10.137,36 61.31,37 6.089,38 220,39 55,40 4.025,41 4.71,42 7.21,43 4.505,44 4.321,45 8.883,46 3.153,48 23.562,49 6.52,50 1.548,51 6,52 19.05,53 0.195,54 10.276,55 10.276,56 0.684,57 4.031,58 4.031,59 17.332,60 176,62 4.569,63 47.824,65 3.844,66 6.674,67 6.674,68 5.212,69 18.011,70 7.523}
{0 CHEMBL1926882,13 2,14 12.57,16 18.122,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.059,24 1.5,25 10.829,26 16.31,28 2.5,29 14.515,33 12.74,34 7.753,35 10.154,36 62.649,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.229,43 4.524,44 4.369,45 8.899,46 3.158,48 23.754,49 6.52,50 1.548,51 6,52 18.936,53 0.192,54 10.276,55 10.276,56 0.677,57 4.031,58 4.031,59 17.332,60 188,62 4.575,63 49.182,65 3.868,66 6.674,67 6.674,68 5.271,69 18.011,70 6.412}
{0 CHEMBL1926883,13 2,14 12.561,16 18.122,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.114,24 1.5,25 10.829,26 16.31,28 2.558,29 14.515,33 12.74,34 7.753,35 10.154,36 65.042,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.229,43 4.519,44 4.356,45 8.899,46 3.183,48 23.394,49 6.52,50 1.548,51 6,52 18.38,53 0.192,54 10.276,55 10.276,56 0.707,57 4.031,58 4.031,59 17.332,60 188,62 4.571,63 48.211,65 3.858,66 6.674,67 6.674,68 5.229,69 18.011,70 8.097}
{0 CHEMBL1926884,13 2,14 12.556,16 18.6,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.324,24 1.531,25 11.163,26 16.732,28 2.618,29 14.88,33 13.05,34 8.15,35 10.578,36 69.508,37 6.201,38 246,39 62,40 4.143,41 4.828,42 7.34,43 4.518,44 4.429,45 9.33,46 3.207,48 22.645,49 6.674,50 1.778,51 6,52 18.303,53 0.188,54 10.573,55 10.573,56 0.748,57 4.178,58 4.178,59 18.616,60 224,62 4.559,63 48.432,65 3.892,66 7.111,67 7.111,68 5.351,69 18.011,70 8.523}
{0 CHEMBL1926885,13 2,14 12.575,16 18.139,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.126,24 1.5,25 10.848,26 16.328,28 2.562,29 14.533,33 12.759,34 7.776,35 10.17,36 66.408,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.248,43 4.512,44 4.388,45 8.914,46 3.185,48 23.5,49 6.521,50 1.552,51 6,52 17.209,53 0.19,54 10.277,55 10.277,56 0.693,57 4.031,58 4.031,59 17.335,60 200,62 4.544,63 49.074,65 3.877,66 6.674,67 6.674,68 5.295,69 18.011,70 8.699}
{0 CHEMBL1926886,13 2,14 12.568,16 18.364,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.275,24 1.548,25 11.056,26 16.542,28 2.62,29 14.734,33 12.945,34 8.069,35 10.465,36 70.465,37 6.209,38 248,39 63,40 4.159,41 4.844,42 7.345,43 4.508,44 4.416,45 9.231,46 3.19,48 22.519,49 6.522,50 1.78,51 6,52 17.292,53 0.185,54 10.29,55 10.29,56 0.532,57 4.031,58 4.031,59 17.342,60 236,62 4.543,63 48.887,65 3.901,66 6.674,67 6.674,68 5.31,69 18.011,70 8.523}
{0 CHEMBL1926887,13 2,14 12.565,16 18.139,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.177,24 1.5,25 10.848,26 16.328,28 2.619,29 14.533,33 12.759,34 7.776,35 10.17,36 68.792,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.248,43 4.503,44 4.374,45 8.914,46 3.204,48 22.793,49 6.521,50 1.565,51 6,52 16.571,53 0.19,54 10.277,55 10.277,56 0.715,57 4.031,58 4.031,59 17.335,60 200,62 4.552,63 48.103,65 3.868,66 6.674,67 6.674,68 5.258,69 18.011,70 7.921}
{0 CHEMBL1926888,13 2,14 12.689,16 18.187,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.084,24 1.5,25 10.87,26 16.369,28 2.5,29 14.566,33 12.782,34 7.791,35 10.194,36 61.788,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.233,43 4.519,44 4.366,45 8.94,46 3.146,48 26.832,49 6.532,50 1.552,51 6,52 18.045,53 0.192,54 10.316,55 10.316,56 0.792,57 4.071,58 4.071,59 17.335,60 188,62 4.571,63 49.887,64 1,65 3.876,66 6.674,67 6.674,68 5.418,69 18.011,70 7.963}
{0 CHEMBL1926889,13 2,14 12.741,16 18.187,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.084,24 1.5,25 10.87,26 16.369,28 2.5,29 14.566,33 12.782,34 7.791,35 10.194,36 61.788,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.233,43 4.536,44 4.379,45 8.94,46 3.152,48 27.352,49 6.532,50 1.552,51 6,52 18.453,53 0.192,54 10.316,55 10.316,56 0.979,57 4.084,58 4.084,59 17.335,60 188,62 4.586,63 50.643,65 3.891,66 6.674,67 6.674,68 5.427,69 18.011,70 8.155}
{0 CHEMBL1926890,13 2,14 12.729,16 18.187,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.084,24 1.5,25 10.87,26 16.369,28 2.5,29 14.566,33 12.782,34 7.791,35 10.194,36 61.788,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.233,43 4.535,44 4.377,45 8.94,46 3.165,48 27.393,49 6.532,50 1.552,51 6,52 18.537,53 0.192,54 10.316,55 10.316,56 0.861,57 4.079,58 4.079,59 17.335,60 188,62 4.585,63 50.643,65 3.891,66 6.674,67 6.674,68 5.428,69 18.011,70 8.62}
{0 CHEMBL1926891,13 2,14 12.644,16 18.187,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.084,24 1.5,25 10.87,26 16.369,28 2.5,29 14.566,33 12.782,34 7.791,35 10.194,36 62.172,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.233,43 4.518,44 4.364,45 8.94,46 3.165,48 26.499,49 6.532,50 1.552,51 6,52 18.37,53 0.192,54 10.316,55 10.316,56 0.781,57 4.054,58 4.054,59 17.335,60 188,62 4.569,63 49.739,65 3.877,66 6.674,67 6.674,68 5.395,69 18.011,70 9.155}
{0 CHEMBL1926892,13 2,14 12.576,16 18.084,17 1,18 10.316,19 10.316,20 10.316,21 4,22 13.055,24 1.5,25 10.796,26 16.285,28 2.5,29 14.5,33 12.733,34 7.735,35 10.136,36 62.056,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.229,43 4.516,44 4.359,45 8.887,46 3.173,48 26.526,49 6.399,50 1.549,51 6,52 18.446,53 0.192,54 9.684,55 9.684,56 0.837,57 4.017,58 4.017,59 17.077,60 220,62 4.565,63 49.739,65 3.877,66 6.532,67 6.532,68 5.395,69 18.011,70 7.91}
{0 CHEMBL1926893,13 2,14 12.797,16 18.22,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.142,24 1.5,25 10.913,26 16.405,28 2.5,29 14.604,33 12.824,34 7.835,35 10.239,36 63.738,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.269,43 4.551,44 4.393,45 8.992,46 3.175,48 27.657,49 6.532,50 1.58,51 6,52 19.151,53 0.191,54 10.316,55 10.316,56 0.806,57 4.1,58 4.1,59 17.478,60 213,62 4.597,63 51.501,65 3.908,66 6.688,67 6.688,68 5.432,69 18.011,70 9.699}
{0 CHEMBL1926894,13 2,14 12.773,16 18.126,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.061,24 1.5,25 10.836,26 16.314,28 2.5,29 14.517,33 12.742,34 7.753,35 10.16,36 61.989,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.229,43 4.444,44 4.304,45 8.903,46 3.174,48 23.795,49 6.52,50 1.5,51 6,52 16.597,53 0.192,54 10.274,55 10.274,56 0.825,57 4.1,58 4.1,59 17.478,60 200,62 4.503,63 49.739,65 3.877,66 6.688,67 6.688,68 5.302,69 18.011,70 8.824}
{0 CHEMBL1926895,13 2,14 12.797,16 18.22,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.142,24 1.5,25 10.913,26 16.405,28 2.5,29 14.604,33 12.824,34 7.835,35 10.239,36 63.738,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.269,43 4.551,44 4.393,45 8.992,46 3.175,48 27.657,49 6.532,50 1.58,51 6,52 19.151,53 0.191,54 10.316,55 10.316,56 0.806,57 4.1,58 4.1,59 17.478,60 213,62 4.597,63 51.501,65 3.908,66 6.688,67 6.688,68 5.432,69 18.011,70 7.398}
{0 CHEMBL1926896,13 2,14 12.717,16 18.22,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.142,24 1.5,25 10.913,26 16.405,28 2.5,29 14.604,33 12.824,34 7.835,35 10.239,36 63.719,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.269,43 4.534,44 4.385,45 8.992,46 3.169,48 27.133,49 6.532,50 1.58,51 6,52 18.567,53 0.191,54 10.316,55 10.316,56 0.743,57 4.103,58 4.103,59 17.478,60 213,62 4.584,63 50.58,65 3.899,66 6.688,67 6.688,68 5.434,69 18.011,70 9.523}
{0 CHEMBL1926897,13 2,14 12.693,16 18.126,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.061,24 1.5,25 10.836,26 16.314,28 2.5,29 14.517,33 12.742,34 7.753,35 10.16,36 61.969,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.229,43 4.425,44 4.295,45 8.903,46 3.168,48 23.314,49 6.52,50 1.5,51 6,52 16.09,53 0.192,54 10.274,55 10.274,56 0.759,57 4.103,58 4.103,59 17.478,60 200,62 4.489,63 48.819,65 3.868,66 6.688,67 6.688,68 5.305,69 18.011,70 8.796}
{0 CHEMBL1926898,13 2,14 12.845,16 18.235,17 1,18 10.66,19 10.66,20 10.66,21 4,22 13.204,24 1.5,25 10.932,26 16.421,28 2.58,29 14.621,33 12.841,34 7.856,35 10.255,36 67.46,37 6.168,38 238,39 59,40 4.094,41 4.779,42 7.287,43 4.555,44 4.403,45 9.006,46 3.24,48 27.677,49 6.532,50 1.586,51 6,52 18.857,53 0.188,54 10.316,55 10.316,56 0.844,57 4.111,58 4.111,59 17.494,60 238,62 4.6,63 51.887,65 3.921,66 6.691,67 6.691,68 5.438,69 18.011,70 9.523}
{0 CHEMBL1926899,13 3,14 25.485,16 18.336,17 1,18 10.704,19 10.704,20 10.704,21 4,22 13.255,24 1.615,25 11.029,26 16.523,28 2.636,29 14.724,33 12.943,34 7.955,35 10.355,36 72.049,37 6.256,38 260,39 65,40 4.19,41 4.875,42 7.378,43 4.718,44 4.554,45 9.115,46 3.461,48 32.992,49 6.532,50 1.975,51 6,52 22.203,53 0.182,54 10.316,55 10.316,56 0.892,57 4.133,58 4.133,59 17.539,60 276,61 1,62 4.763,63 58.387,65 4.025,66 6.701,67 6.701,68 5.613,69 36.022,70 10.046}
{0 CHEMBL1926900,13 2,14 12.838,16 18.223,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.149,24 1.566,25 10.923,26 16.409,28 2.571,29 14.61,33 12.832,34 7.835,35 10.25,36 67.641,37 6.196,38 245,39 61,40 4.127,41 4.812,42 7.31,43 4.621,44 4.464,45 8.994,46 3.314,48 29.703,49 6.532,50 1.656,51 6,52 20.326,53 0.184,54 10.316,55 10.316,56 0.733,57 4.1,58 4.1,59 17.478,60 280,62 4.671,63 55.478,65 3.976,66 6.688,67 6.688,68 5.506,69 18.011,70 9.222}
{0 CHEMBL1926901,13 2,14 12.886,16 18.239,17 1,18 10.66,19 10.66,20 10.66,21 4,22 13.21,24 1.572,25 10.941,26 16.426,28 2.652,29 14.627,33 12.849,34 7.856,35 10.265,36 71.365,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.327,43 4.626,44 4.473,45 9.007,46 3.314,48 29.729,49 6.532,50 1.656,51 6,52 20.033,53 0.182,54 10.316,55 10.316,56 0.757,57 4.111,58 4.111,59 17.494,60 290,62 4.674,63 55.864,65 3.988,66 6.691,67 6.691,68 5.512,69 18.011,70 9.097}
{0 CHEMBL1926902,13 2,14 12.758,16 18.223,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.149,24 1.566,25 10.923,26 16.409,28 2.571,29 14.61,33 12.832,34 7.835,35 10.25,36 67.622,37 6.196,38 245,39 61,40 4.127,41 4.812,42 7.31,43 4.605,44 4.456,45 8.994,46 3.314,48 29.177,49 6.532,50 1.656,51 6,52 19.738,53 0.184,54 10.316,55 10.316,56 0.695,57 4.103,58 4.103,59 17.478,60 280,62 4.659,63 54.557,65 3.967,66 6.688,67 6.688,68 5.508,69 18.011,70 8.886}
{0 CHEMBL1926903,13 2,14 24.631,16 18.257,17 1,18 10.573,19 10.573,20 10.573,21 4,22 13.158,24 1.515,25 10.925,26 16.438,28 2.537,29 14.632,33 12.845,34 7.851,35 10.254,36 65.921,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.269,43 4.608,44 4.429,45 9.009,46 3.303,48 28.538,49 6.533,50 1.756,51 6,52 20.777,53 0.191,54 10.318,55 10.318,56 0.827,57 4.071,58 4.071,59 17.342,60 200,62 4.63,63 51.535,64 1,65 3.912,66 6.674,67 6.674,68 5.443,69 18.011,70 6.886}
{0 CHEMBL1926904,13 2,14 23.976,16 18.25,17 1,18 10.66,19 10.66,20 10.66,21 4,22 13.25,24 1.586,25 10.955,26 16.439,28 2.841,29 14.645,33 12.87,34 7.883,35 10.282,36 72.475,37 6.225,38 252,39 63,40 4.159,41 4.844,42 7.343,43 4.589,44 4.444,45 9.034,46 3.334,48 28.527,49 6.532,50 1.975,51 6,52 19.347,53 0.183,54 10.316,55 10.316,56 0.78,57 4.111,58 4.111,59 17.494,60 280,61 1,62 4.644,63 54.347,65 3.972,66 6.691,67 6.691,68 5.474,69 50.908,70 9.009}
{0 CHEMBL1926905,13 2,14 12.813,16 18.196,17 1,18 10.66,19 10.66,20 10.66,21 4,22 13.14,24 1.5,25 10.885,26 16.376,28 2.547,29 14.571,33 12.785,34 7.791,35 10.205,36 64.289,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.233,43 4.481,44 4.305,45 8.947,46 3.239,48 26.726,49 6.531,50 1.552,51 6,52 17.976,53 0.192,54 10.311,55 10.311,56 0.912,57 4.111,58 4.111,59 17.494,60 216,62 4.57,63 49.671,65 3.882,66 6.691,67 6.691,68 5.373,69 18.011,70 8.155}
{0 CHEMBL1927007,13 2,14 12.867,16 18.334,17 1,18 10.644,19 10.644,20 10.644,21 5,22 13.209,24 1.577,25 11.028,26 16.517,28 2.582,29 14.715,33 12.931,34 7.936,35 10.352,36 71.472,37 6.263,38 262,39 65,40 4.19,41 4.875,42 7.386,43 4.661,44 4.508,45 9.093,46 3.445,48 29.764,49 6.534,50 1.968,51 6,52 19.982,53 0.179,54 10.321,55 10.321,56 0.704,57 4.1,58 4.1,59 17.478,60 265,62 4.672,63 57.029,65 4.014,66 6.688,67 6.688,68 5.501,69 18.011,70 5.8}
{0 CHEMBL1927008,13 2,14 12.843,16 18.189,17 1,18 10.66,19 10.66,20 10.66,21 4,22 13.241,24 1.5,25 10.912,26 16.382,28 2.623,29 14.591,33 12.82,34 7.842,35 10.232,36 71.42,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.3,43 4.543,44 4.421,45 8.981,46 3.244,48 25.017,49 6.521,50 1.586,51 6,52 17.479,53 0.186,54 10.277,55 10.277,56 0.846,57 4.111,58 4.111,59 17.494,60 252,62 4.551,63 51.37,65 3.921,66 6.691,67 6.691,68 5.344,69 18.011,70 9.523}
{0 CHEMBL1927009,13 2,14 12.795,16 18.173,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.182,24 1.5,25 10.893,26 16.365,28 2.581,29 14.573,33 12.802,34 7.82,35 10.217,36 67.759,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.283,43 4.539,44 4.411,45 8.967,46 3.197,48 25.021,49 6.521,50 1.579,51 6,52 17.731,53 0.188,54 10.277,55 10.277,56 0.812,57 4.1,58 4.1,59 17.478,60 226,62 4.548,63 50.983,65 3.907,66 6.688,67 6.688,68 5.337,69 18.011,70 9.523}
{0 CHEMBL1927010,13 2,14 12.715,16 18.173,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.182,24 1.5,25 10.893,26 16.365,28 2.581,29 14.573,33 12.802,34 7.82,35 10.217,36 67.739,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.283,43 4.521,44 4.403,45 8.967,46 3.193,48 24.581,49 6.521,50 1.579,51 6,52 17.304,53 0.188,54 10.277,55 10.277,56 0.754,57 4.103,58 4.103,59 17.478,60 226,62 4.534,63 50.063,65 3.898,66 6.688,67 6.688,68 5.34,69 18.011,70 9.155}
{0 CHEMBL193440,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.531,16 18.31,17 2,18 11.107,19 11.107,20 11.107,21 7,22 13.09,23 4,24 1.5,25 11.024,26 16.478,27 2,28 2.5,29 14.663,30 2,31 1,32 1,33 12.87,34 7.892,35 10.345,36 68.016,37 6.229,38 253,39 62,40 4.143,41 4.828,42 7.334,43 4.741,44 4.574,45 9.056,46 3.393,47 1,48 33.775,49 6.526,50 1.691,51 1,52 23.122,53 0.179,54 10.264,55 10.264,56 0.893,57 4.178,58 4.178,59 18.136,60 238,61 1,62 4.744,63 54.921,64 1,65 4.004,66 6.774,67 6.774,68 5.584,69 42.683,70 9.076}
{0 CHEMBL193822,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.38,15 1,16 18.464,17 2,18 10.975,19 10.975,20 10.975,21 8,22 13.342,23 4,24 1.785,25 11.194,26 16.642,27 2,28 2.706,29 14.834,30 1,31 1,32 1,33 13.046,34 8.069,35 10.523,36 74.676,37 6.347,38 285,39 70,40 4.263,41 4.949,42 7.497,43 4.724,44 4.584,45 9.249,46 3.573,47 1,48 32.399,49 6.636,50 1.848,51 1,52 23.08,53 0.172,54 10.707,55 10.707,56 0.806,57 4.15,58 4.15,59 18.114,60 245,61 1,62 4.767,63 55.336,64 1,65 4.045,66 6.726,67 6.726,68 5.563,69 42.683,70 9.097}
{0 CHEMBL193972,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.523,16 18.31,17 2,18 11.107,19 11.107,20 11.107,21 7,22 13.088,23 4,24 1.5,25 11.023,26 16.477,27 2,28 2.5,29 14.662,30 2,31 1,32 1,33 12.868,34 7.892,35 10.343,36 66.683,37 6.213,38 249,39 61,40 4.127,41 4.812,42 7.321,43 4.699,44 4.531,45 9.056,46 3.338,47 1,48 32.704,49 6.526,50 1.68,51 1,52 22.335,53 0.181,54 10.265,55 10.265,56 0.886,57 4.178,58 4.178,59 18.136,60 220,61 1,62 4.733,63 53.16,64 1,65 3.976,66 6.774,67 6.774,68 5.563,69 42.683,70 8.585}
{0 CHEMBL193984,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.314,15 1,16 18.364,17 2,18 10.918,19 10.918,20 10.918,21 7,22 13.216,23 4,24 1.526,25 11.096,26 16.543,27 2,28 2.525,29 14.737,30 1,31 1,32 1,33 12.95,34 7.98,35 10.429,36 66.824,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.393,43 4.596,44 4.454,45 9.163,46 3.387,47 1,48 28.992,49 6.636,50 1.714,51 1,52 20.35,53 0.183,54 10.707,55 10.707,56 0.774,57 4.148,58 4.148,59 18.076,60 236,61 1,62 4.641,63 51.336,64 1,65 3.954,66 6.713,67 6.713,68 5.464,69 42.683,70 9.456}
{0 CHEMBL193988,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.291,15 1,16 18.351,17 2,18 10.936,19 10.936,20 10.936,21 7,22 13.205,23 4,24 1.547,25 11.082,26 16.529,27 2,28 2.539,29 14.722,30 1,31 1,32 1,33 12.935,34 7.962,35 10.417,36 65.895,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.377,43 4.532,44 4.392,45 9.151,46 3.322,47 1,48 27.314,49 6.636,50 1.703,51 1,52 19.655,53 0.185,54 10.707,55 10.707,56 0.758,57 4.148,58 4.148,59 18.067,60 183,61 1,62 4.61,63 48.671,64 1,65 3.91,66 6.717,67 6.717,68 5.409,69 42.683,70 9.051}
{0 CHEMBL194078,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 25.65,16 18.465,17 2,18 11.107,19 11.107,20 11.107,21 7,22 13.084,23 4,24 1.5,25 11.148,26 16.62,27 2,28 2.5,29 14.789,30 2,31 1,33 12.979,34 8.005,35 10.444,36 68.328,37 6.232,38 254,39 62,40 4.143,41 4.828,42 7.356,43 4.639,44 4.481,45 9.161,46 3.289,48 30.729,49 6.738,50 1.584,51 5,52 21.083,53 0.182,54 10.897,55 10.897,56 0.951,57 4.179,58 4.179,59 18.514,60 201,61 1,62 4.676,63 51.091,64 2,65 3.95,66 6.774,67 6.774,68 5.516,69 42.683,70 7.921}
{0 CHEMBL1944776,13 3,14 63.468,16 18.888,18 12.526,19 12.526,20 12.526,21 4,22 13.58,24 1.566,25 11.374,26 16.983,28 2.578,29 15.093,33 13.226,34 8.38,35 10.845,36 69.283,37 6.217,38 250,39 64,40 4.174,41 4.86,42 7.408,43 4.296,44 4.25,45 9.591,46 3.392,48 18.726,49 7.123,50 1.776,51 3,52 14.223,53 0.189,54 11.73,55 11.73,56 1.082,57 4.265,58 4.265,59 19.912,60 217,61 1,62 4.385,63 47.182,64 2,65 3.889,66 7.311,67 7.311,68 5.321,69 86.929,70 5.137}
{0 CHEMBL1944778,13 4,14 64.463,16 18.91,18 12.53,19 12.53,20 12.53,21 4,22 13.601,24 1.765,25 11.41,26 17.007,28 2.699,29 15.121,33 13.259,34 8.412,35 10.872,36 74.009,37 6.275,38 265,39 68,40 4.234,41 4.92,42 7.461,43 4.508,44 4.455,45 9.618,46 3.459,48 22.878,49 7.123,50 1.796,51 3,52 17.045,53 0.183,54 11.73,55 11.73,56 1.035,57 4.267,58 4.267,59 19.932,60 224,61 1,62 4.61,63 52.466,64 2,65 3.975,66 7.311,67 7.311,68 5.518,69 72.043,70 6.092}
{0 CHEMBL194497,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.276,15 2,16 18.351,17 2,18 10.936,19 10.936,20 10.936,21 7,22 13.205,23 4,24 1.547,25 11.082,26 16.529,27 2,28 2.539,29 14.722,30 1,31 1,32 1,33 12.935,34 7.962,35 10.417,36 65.863,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.377,43 4.511,44 4.382,45 9.151,46 3.32,47 1,48 26.568,49 6.636,50 1.703,51 1,52 19.007,53 0.185,54 10.707,55 10.707,56 0.714,57 4.148,58 4.148,59 18.067,60 183,61 1,62 4.578,63 47.751,64 1,65 3.901,66 6.717,67 6.717,68 5.413,69 42.683,70 9.523}
{0 CHEMBL1949696,13 3,14 61.304,16 19.017,17 1,18 12.747,19 12.747,20 12.747,21 4,22 13.753,24 1.5,25 11.515,26 17.11,28 2.5,29 15.218,33 13.347,34 8.56,35 11.001,36 75.577,37 6.297,38 271,39 70,40 4.263,41 4.949,42 7.466,43 4.732,44 4.557,45 9.752,46 3.565,48 33.657,49 7.111,50 1.712,51 4,52 24.876,53 0.181,54 11.657,55 11.657,56 0.565,57 4.365,58 4.365,59 20.39,60 275,62 4.745,63 57.148,64 5,65 4.046,66 7.352,67 7.352,68 5.608,70 8.268}
{0 CHEMBL1951892,13 2,14 36.6,16 18.448,17 3,18 11.657,19 11.657,20 11.657,21 4,22 13.287,24 1.284,25 11.015,26 16.582,28 2.316,29 14.734,33 12.909,34 8.021,35 10.448,36 63.451,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.251,43 4.616,44 4.408,45 9.192,46 3.391,48 31.443,49 6.5,50 1.5,51 6,52 21.711,53 0.193,54 10.182,55 10.182,56 0.863,57 4.18,58 4.18,59 18.545,60 190,62 4.64,63 52.262,64 2,65 3.921,66 7.111,67 7.111,68 5.509,70 6.44}
{0 CHEMBL1951893,13 2,14 36.788,16 18.551,17 2,18 11.657,19 11.657,20 11.657,21 5,22 13.406,24 1.5,25 11.133,26 16.689,28 2.5,29 14.845,33 13.023,34 8.122,35 10.551,36 72.5,37 6.256,38 260,39 65,40 4.19,41 4.875,42 7.386,43 4.732,44 4.544,45 9.286,46 3.546,48 34.077,49 6.503,50 1.526,51 6,52 23.85,53 0.178,54 10.19,55 10.19,56 0.926,57 4.18,58 4.18,59 18.545,60 250,62 4.731,63 58.023,64 2,65 4.043,66 7.111,67 7.111,68 5.568,70 8.301}
{0 CHEMBL1951894,13 2,14 36.784,15 1,16 18.57,17 2,18 11.657,19 11.657,20 11.657,21 5,22 13.447,24 1.523,25 11.162,26 16.713,28 2.519,29 14.872,33 13.055,34 8.153,35 10.579,36 74.373,37 6.282,38 267,39 67,40 4.22,41 4.905,42 7.416,43 4.731,44 4.548,45 9.32,46 3.547,48 34.033,49 6.503,50 1.821,51 6,52 23.853,53 0.177,54 10.191,55 10.191,56 0.781,57 4.18,58 4.18,59 18.545,60 262,62 4.73,63 57.961,64 2,65 4.05,66 7.111,67 7.111,68 5.57,70 8.509}
{0 CHEMBL1951895,13 2,14 48.451,16 18.513,17 2,18 11.657,19 11.657,20 11.657,21 4,22 13.35,24 1.5,25 11.078,26 16.65,28 2.5,29 14.804,33 12.98,34 8.085,35 10.507,36 67.041,37 6.168,38 238,39 60,40 4.111,41 4.796,42 7.303,43 4.654,44 4.468,45 9.257,46 3.402,48 31.892,49 6.502,50 1.5,51 6,52 22.179,53 0.189,54 10.186,55 10.186,56 0.933,57 4.18,58 4.18,59 18.545,60 214,62 4.658,63 53.716,64 3,65 3.955,66 7.111,67 7.111,68 5.533,70 6.64}
{0 CHEMBL1951896,13 2,14 60.641,16 18.814,17 2,18 11.66,19 11.66,20 11.66,21 4,22 13.636,24 1.5,25 11.299,26 16.918,28 2.5,29 15.037,33 13.176,34 8.337,35 10.78,36 69.683,37 6.205,38 247,39 63,40 4.159,41 4.844,42 7.359,43 4.695,44 4.504,45 9.53,46 3.48,48 32.62,49 7.111,50 1.5,51 6,52 23.82,53 0.188,54 11.657,55 11.657,56 0.958,57 4.251,58 4.251,59 18.612,60 226,62 4.691,63 54.819,64 5,65 3.98,66 7.111,67 7.111,68 5.56,70 7.409}
{0 CHEMBL1951897,13 2,14 61.418,16 18.891,17 2,18 12.336,19 12.336,20 12.336,21 4,22 13.66,24 1.5,25 11.363,26 16.983,28 2.5,29 15.092,33 13.222,34 8.392,35 10.823,36 70.981,37 6.229,38 253,39 64,40 4.174,41 4.86,42 7.38,43 4.718,44 4.531,45 9.568,46 3.496,48 33.06,49 7.111,50 1.5,51 6,52 24.122,53 0.186,54 11.657,55 11.657,56 1.156,57 4.3,58 4.3,59 19.442,60 238,62 4.718,63 56.58,64 5,65 4.008,66 7.286,67 7.286,68 5.572,70 7.824}
{0 CHEMBL1951898,13 2,14 60.417,16 19.513,17 2,18 15.254,19 15.254,20 15.254,21 4,22 13.847,24 1.5,25 11.738,26 17.501,28 2.5,29 15.513,33 13.557,34 8.702,35 11.226,36 73.502,37 6.297,38 271,39 69,40 4.248,41 4.934,42 7.468,43 4.691,44 4.533,45 9.929,46 3.486,48 31.823,49 7.111,50 1.645,51 6,52 23.923,53 0.183,54 11.657,55 11.657,56 0.693,57 4.605,58 4.605,59 24.026,60 262,62 4.689,63 54.631,64 5,65 4.001,66 8.294,67 8.294,68 5.578,70 8.796}
{0 CHEMBL1951899,13 2,14 61.257,16 19.017,17 2,18 12.747,19 12.747,20 12.747,21 4,22 13.753,24 1.5,25 11.515,26 17.11,28 2.5,29 15.218,33 13.347,34 8.56,35 11.001,36 75.412,37 6.297,38 271,39 70,40 4.263,41 4.949,42 7.466,43 4.717,44 4.543,45 9.752,46 3.5,48 32.911,49 7.111,50 1.712,51 6,52 24.115,53 0.181,54 11.657,55 11.657,56 0.589,57 4.364,58 4.364,59 20.39,60 275,62 4.715,63 56.393,64 5,65 4.028,66 7.352,67 7.352,68 5.578,70 8.051}
{0 CHEMBL1951900,13 3,14 36.606,16 18.448,17 2,18 11.657,19 11.657,20 11.657,21 4,22 13.287,24 1.284,25 11.015,26 16.582,28 2.316,29 14.734,33 12.909,34 8.021,35 10.448,36 63.665,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.251,43 4.645,44 4.43,45 9.192,46 3.403,48 32.608,49 6.5,50 1.5,51 6,52 22.774,53 0.193,54 10.182,55 10.182,56 0.906,57 4.18,58 4.18,59 18.545,60 190,62 4.668,63 53.018,64 2,65 3.941,66 7.111,67 7.111,68 5.532,70 6.47}
{0 CHEMBL1951901,13 3,14 36.821,16 18.499,17 2,18 11.657,19 11.657,20 11.657,21 5,22 13.391,24 1.5,25 11.095,26 16.642,28 2.5,29 14.804,33 12.99,34 8.089,35 10.521,36 73.688,37 6.267,38 263,39 66,40 4.205,41 4.89,42 7.394,43 4.78,44 4.577,45 9.254,46 3.586,48 36.941,49 6.501,50 1.846,51 6,52 25.893,53 0.176,54 10.184,55 10.184,56 0.914,57 4.18,58 4.18,59 18.545,60 272,62 4.812,63 60.54,64 2,65 4.086,66 7.111,67 7.111,68 5.643,70 6.79}
{0 CHEMBL1951902,13 3,14 48.532,16 18.513,17 2,18 11.657,19 11.657,20 11.657,21 4,22 13.35,24 1.5,25 11.078,26 16.65,28 2.5,29 14.804,33 12.98,34 8.085,35 10.507,36 67.065,37 6.168,38 238,39 60,40 4.111,41 4.796,42 7.303,43 4.682,44 4.489,45 9.257,46 3.413,48 33.078,49 6.502,50 1.5,51 6,52 23.235,53 0.189,54 10.186,55 10.186,56 0.956,57 4.18,58 4.18,59 18.545,60 214,62 4.686,63 54.472,64 2,65 3.974,66 7.111,67 7.111,68 5.555,70 7.081}
{0 CHEMBL1951903,13 3,14 36.61,16 18.448,17 2,18 11.657,19 11.657,20 11.657,21 4,22 13.287,24 1.284,25 11.015,26 16.582,28 2.316,29 14.734,33 12.909,34 8.021,35 10.448,36 63.545,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.251,43 4.629,44 4.418,45 9.192,46 3.392,48 32.081,49 6.5,50 1.5,51 4,52 22.216,53 0.193,54 10.182,55 10.182,56 0.835,57 4.18,58 4.18,59 18.545,60 190,62 4.663,63 53.018,64 2,65 3.941,66 7.111,67 7.111,68 5.526,70 6.9}
{0 CHEMBL1951904,13 3,14 36.825,16 18.499,17 2,18 11.657,19 11.657,20 11.657,21 5,22 13.391,24 1.5,25 11.095,26 16.642,28 2.5,29 14.804,33 12.99,34 8.089,35 10.521,36 73.607,37 6.267,38 263,39 66,40 4.205,41 4.89,42 7.394,43 4.78,44 4.576,45 9.254,46 3.585,48 37.169,49 6.501,50 1.846,51 4,52 25.997,53 0.176,54 10.184,55 10.184,56 0.888,57 4.18,58 4.18,59 18.545,60 272,62 4.821,63 60.54,64 2,65 4.086,66 7.111,67 7.111,68 5.649,70 8.051}
{0 CHEMBL1951905,13 3,14 48.48,16 18.513,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.35,24 1.5,25 11.078,26 16.65,28 2.5,29 14.804,33 12.98,34 8.085,35 10.507,36 67.143,37 6.168,38 238,39 60,40 4.111,41 4.796,42 7.303,43 4.666,44 4.477,45 9.257,46 3.407,48 32.553,49 6.502,50 1.5,51 4,52 22.683,53 0.189,54 10.186,55 10.186,56 0.903,57 4.18,58 4.18,59 18.545,60 214,62 4.685,63 54.472,64 3,65 3.974,66 7.111,67 7.111,68 5.549,70 7.432}
{0 CHEMBL1951906,13 3,14 60.688,16 18.814,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.636,24 1.5,25 11.299,26 16.918,28 2.5,29 15.037,33 13.176,34 8.337,35 10.78,36 69.792,37 6.205,38 247,39 63,40 4.159,41 4.844,42 7.359,43 4.707,44 4.513,45 9.53,46 3.546,48 33.292,49 7.111,50 1.5,51 4,52 24.338,53 0.188,54 11.657,55 11.657,56 0.933,57 4.253,58 4.253,59 18.612,60 226,62 4.717,63 55.574,64 5,65 3.998,66 7.111,67 7.111,68 5.576,70 8.959}
{0 CHEMBL1951907,13 3,14 61.465,16 18.891,17 1,18 12.336,19 12.336,20 12.336,21 4,22 13.66,24 1.5,25 11.363,26 16.983,28 2.5,29 15.092,33 13.222,34 8.392,35 10.823,36 71.066,37 6.229,38 253,39 64,40 4.174,41 4.86,42 7.38,43 4.734,44 4.542,45 9.568,46 3.562,48 34.05,49 7.111,50 1.5,51 4,52 24.841,53 0.186,54 11.657,55 11.657,56 1.133,57 4.302,58 4.302,59 19.442,60 238,62 4.749,63 57.336,64 5,65 4.026,66 7.286,67 7.286,68 5.597,70 8.62}
{0 CHEMBL1951908,13 3,14 60.464,16 19.513,17 1,18 15.254,19 15.254,20 15.254,21 4,22 13.847,24 1.5,25 11.738,26 17.501,28 2.5,29 15.513,33 13.557,34 8.702,35 11.226,36 73.65,37 6.297,38 271,39 69,40 4.248,41 4.934,42 7.468,43 4.703,44 4.541,45 9.929,46 3.553,48 32.536,49 7.111,50 1.645,51 4,52 24.437,53 0.183,54 11.657,55 11.657,56 0.666,57 4.606,58 4.606,59 24.026,60 262,62 4.714,63 55.387,64 5,65 4.019,66 8.294,67 8.294,68 5.593,70 10}
{0 CHEMBL1951909,13 2,14 60.609,15 2,16 18.846,17 2,18 11.66,19 11.66,20 11.66,21 4,22 13.702,24 1.5,25 11.352,26 16.957,28 2.5,29 15.083,33 13.231,34 8.388,35 10.827,36 73.541,37 6.26,38 261,39 67,40 4.22,41 4.905,42 7.421,43 4.69,44 4.536,45 9.585,46 3.483,48 31.406,49 7.111,50 1.767,51 6,52 23.989,53 0.185,54 11.657,55 11.657,56 0.748,57 4.251,58 4.251,59 18.635,60 250,62 4.685,63 54.694,64 5,65 3.994,66 7.111,67 7.111,68 5.587,70 5.432}
{0 CHEMBL1951910,13 3,14 85.618,16 19.094,17 1,18 11.709,19 11.709,20 11.709,21 4,22 13.93,24 1.636,25 11.541,26 17.184,28 2.603,29 15.287,33 13.41,34 8.598,35 11.047,36 78.468,37 6.312,38 275,39 71,40 4.277,41 4.963,42 7.486,43 4.868,44 4.684,45 9.803,46 3.581,48 38.105,49 7.111,50 1.768,51 4,52 29.08,53 0.182,54 11.659,55 11.659,56 0.892,57 4.255,58 4.255,59 18.84,60 275,62 4.86,63 59.892,64 6,65 4.079,66 7.119,67 7.119,68 5.748,70 6.1}
{0 CHEMBL1951911,13 3,14 60.906,16 18.838,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.676,24 1.5,25 11.336,26 16.946,28 2.5,29 15.07,33 13.216,34 8.375,35 10.811,36 72.953,37 6.252,38 259,39 66,40 4.205,41 4.89,42 7.407,43 4.793,44 4.607,45 9.565,46 3.55,48 36.172,49 7.111,50 1.671,51 4,52 26.329,53 0.184,54 11.657,55 11.657,56 0.888,57 4.254,58 4.254,59 18.626,60 250,62 4.783,63 57.79,64 5,65 4.033,66 7.111,67 7.111,68 5.677,70 8.301}
{0 CHEMBL1951912,13 3,14 60.672,15 1,16 18.829,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.669,24 1.5,25 11.324,26 16.937,28 2.5,29 15.06,33 13.204,34 8.363,35 10.802,36 71.697,37 6.232,38 254,39 65,40 4.19,41 4.875,42 7.391,43 4.705,44 4.529,45 9.557,46 3.548,48 32.724,49 7.111,50 1.667,51 4,52 24.422,53 0.187,54 11.657,55 11.657,56 0.845,57 4.254,58 4.254,59 18.624,60 238,62 4.714,63 55.512,64 5,65 4.005,66 7.111,67 7.111,68 5.59,70 9.167}
{0 CHEMBL1951913,13 3,14 60.832,16 18.829,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.669,24 1.5,25 11.324,26 16.937,28 2.5,29 15.06,33 13.204,34 8.363,35 10.802,36 71.643,37 6.232,38 254,39 65,40 4.19,41 4.875,42 7.391,43 4.778,44 4.579,45 9.557,46 3.557,48 36.319,49 7.111,50 1.667,51 4,52 26.253,53 0.187,54 11.657,55 11.657,56 0.921,57 4.254,58 4.254,59 18.624,60 238,62 4.784,63 57.336,64 5,65 4.026,66 7.111,67 7.111,68 5.668,70 9.357}
{0 CHEMBL1951914,13 3,14 60.656,15 2,16 18.846,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.702,24 1.5,25 11.352,26 16.957,28 2.5,29 15.083,33 13.231,34 8.388,35 10.827,36 73.602,37 6.26,38 261,39 67,40 4.22,41 4.905,42 7.421,43 4.702,44 4.544,45 9.585,46 3.549,48 32.112,49 7.111,50 1.767,51 4,52 24.505,53 0.185,54 11.657,55 11.657,56 0.721,57 4.254,58 4.254,59 18.635,60 250,62 4.711,63 55.449,64 5,65 4.012,66 7.111,67 7.111,68 5.603,70 9.373}
{0 CHEMBL1951915,13 3,14 60.76,15 1,16 18.846,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.702,24 1.5,25 11.352,26 16.957,28 2.5,29 15.083,33 13.231,34 8.388,35 10.827,36 73.615,37 6.26,38 261,39 67,40 4.22,41 4.905,42 7.421,43 4.736,44 4.562,45 9.585,46 3.552,48 33.195,49 7.111,50 1.767,51 4,52 25.366,53 0.185,54 11.657,55 11.657,56 0.778,57 4.254,58 4.254,59 18.635,60 250,62 4.751,63 56.37,64 5,65 4.02,66 7.111,67 7.111,68 5.598,70 9.161}
{0 CHEMBL1951916,13 3,14 60.976,16 18.846,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.702,24 1.5,25 11.352,26 16.957,28 2.5,29 15.083,33 13.231,34 8.388,35 10.827,36 73.495,37 6.26,38 261,39 67,40 4.22,41 4.905,42 7.421,43 4.845,44 4.641,45 9.585,46 3.563,48 39.312,49 7.111,50 1.767,51 4,52 28.146,53 0.185,54 11.657,55 11.657,56 0.91,57 4.254,58 4.254,59 18.635,60 250,62 4.847,63 59.097,64 5,65 4.052,66 7.111,67 7.111,68 5.751,70 10}
{0 CHEMBL1951917,13 3,14 60.776,16 18.829,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.669,24 1.5,25 11.324,26 16.937,28 2.5,29 15.06,33 13.204,34 8.363,35 10.802,36 71.71,37 6.232,38 254,39 65,40 4.19,41 4.875,42 7.391,43 4.739,44 4.547,45 9.557,46 3.55,48 33.831,49 7.111,50 1.667,51 4,52 25.278,53 0.187,54 11.657,55 11.657,56 0.901,57 4.254,58 4.254,59 18.624,60 238,62 4.754,63 56.432,64 5,65 4.013,66 7.111,67 7.111,68 5.585,70 9.26}
{0 CHEMBL1951918,13 3,14 60.783,16 19.094,17 1,18 11.709,19 11.709,20 11.709,21 4,22 13.795,24 1.596,25 11.541,26 17.184,28 2.568,29 15.287,33 13.41,34 8.598,35 11.047,36 75.973,37 6.312,38 275,39 71,40 4.277,41 4.963,42 7.486,43 4.77,44 4.629,45 9.803,46 3.559,48 34.011,49 7.111,50 1.728,51 4,52 26.588,53 0.182,54 11.659,55 11.659,56 0.834,57 4.255,58 4.255,59 18.84,60 275,62 4.777,63 57.148,64 5,65 4.046,66 7.119,67 7.119,68 5.713,70 8.456}
{0 CHEMBL195199,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 25.236,16 18.495,17 2,18 11.591,19 11.591,20 11.591,21 7,22 13.064,23 4,24 1.5,25 11.177,26 16.64,27 2,28 2.5,29 14.801,30 2,31 1,33 12.984,34 8.021,35 10.48,36 66.643,37 6.217,38 250,39 61,40 4.127,41 4.812,42 7.335,43 4.587,44 4.433,45 9.193,46 3.28,48 28.939,49 6.774,50 1.67,51 5,52 19.76,53 0.184,54 11.107,55 11.107,56 0.866,57 4.205,58 4.205,59 18.739,60 181,61 1,62 4.641,63 50.091,64 1,65 3.929,66 6.908,67 6.908,68 5.465,69 60.694,70 7.201}
{0 CHEMBL1952100,13 3,14 60.863,16 18.846,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.702,24 1.5,25 11.352,26 16.957,28 2.5,29 15.083,33 13.231,34 8.388,35 10.827,36 73.628,37 6.26,38 261,39 67,40 4.22,41 4.905,42 7.421,43 4.769,44 4.58,45 9.585,46 3.554,48 34.281,49 7.111,50 1.767,51 4,52 26.159,53 0.185,54 11.657,55 11.657,56 0.841,57 4.254,58 4.254,59 18.635,60 250,62 4.789,63 57.29,64 5,65 4.028,66 7.111,67 7.111,68 5.593,70 10}
{0 CHEMBL195433,12 1,13 3,14 24.383,15 1,16 17.758,17 1,18 9.745,19 9.745,20 9.745,21 4,22 12.863,24 1.181,25 10.569,26 15.994,28 2.319,29 14.244,33 12.513,34 7.509,35 9.948,36 56.723,37 6.004,38 202,39 51,40 3.951,41 4.635,42 7.117,43 4.349,44 4.177,45 8.698,46 3.166,48 22.205,49 6.19,50 1.416,51 1,52 16.381,53 0.202,54 9.268,55 9.268,56 0.678,57 3.959,58 3.959,59 16.214,60 182,62 4.416,63 44.699,65 3.792,66 6.404,67 6.404,68 5.252,69 36.022,70 6}
{0 CHEMBL195753,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 34.882,15 1,16 18.423,17 2,18 10.962,19 10.962,20 10.962,21 7,22 13.323,23 4,24 1.69,25 11.141,26 16.601,27 2,28 2.647,29 14.793,30 1,31 1,32 1,33 13.004,34 8.03,35 10.478,36 70.147,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.424,43 4.552,44 4.437,45 9.218,46 3.368,47 1,48 27.211,49 6.636,50 1.817,51 1,52 19.318,53 0.182,54 10.707,55 10.707,56 0.734,57 4.148,58 4.148,59 18.099,60 201,61 1,62 4.614,63 48.966,64 2,65 3.925,66 6.724,67 6.724,68 5.473,69 42.683,70 9.222}
{0 CHEMBL195930,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.503,16 18.39,17 2,18 11.107,19 11.107,20 11.107,21 7,22 13.108,23 4,24 1.477,25 11.084,26 16.545,27 2,28 2.485,29 14.716,30 2,31 1,33 12.907,34 7.938,35 10.389,36 64.115,37 6.184,38 242,39 59,40 4.094,41 4.779,42 7.298,43 4.57,44 4.413,45 9.102,46 3.279,47 1,48 28.436,49 6.706,50 1.5,51 5,52 19.36,53 0.185,54 10.887,55 10.887,56 0.872,57 4.179,58 4.179,59 18.235,60 184,61 1,62 4.611,63 48.881,64 2,65 3.902,66 6.774,67 6.774,68 5.437,69 42.683,70 7.638}
{0 CHEMBL196087,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.502,16 18.39,17 2,18 11.107,19 11.107,20 11.107,21 7,22 13.108,23 4,24 1.477,25 11.084,26 16.545,27 2,28 2.485,29 14.716,30 2,31 1,33 12.907,34 7.938,35 10.389,36 64.115,37 6.184,38 242,39 59,40 4.094,41 4.779,42 7.298,43 4.566,44 4.411,45 9.102,46 3.278,47 1,48 28.401,49 6.706,50 1.5,51 5,52 19.199,53 0.185,54 10.887,55 10.887,56 0.968,57 4.179,58 4.179,59 18.235,60 184,61 1,62 4.622,63 48.881,64 1,65 3.904,66 6.774,67 6.774,68 5.447,69 42.683,70 8.086}
{0 CHEMBL197641,13 2,14 36.566,16 18.814,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.538,24 1.5,25 11.299,26 16.918,28 2.5,29 15.037,33 13.176,34 8.337,35 10.78,36 67.942,37 6.205,38 247,39 63,40 4.159,41 4.844,42 7.359,43 4.568,44 4.427,45 9.53,46 3.405,48 27.97,49 7.111,50 1.5,51 4,52 21.288,53 0.188,54 11.657,55 11.657,56 0.837,57 4.181,58 4.181,59 18.612,60 226,62 4.601,63 51.302,64 2,65 3.952,66 7.111,67 7.111,68 5.445,70 8.638}
{0 CHEMBL197680,13 2,14 48.549,16 18.528,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.447,24 1.5,25 11.096,26 16.665,28 2.5,29 14.819,33 12.995,34 8.1,35 10.52,36 68.995,37 6.188,38 243,39 61,40 4.127,41 4.812,42 7.321,43 4.602,44 4.442,45 9.269,46 3.407,48 28.966,49 6.502,50 1.5,51 4,52 20.965,53 0.187,54 10.188,55 10.188,56 1.003,57 4.18,58 4.18,59 18.545,60 226,62 4.629,63 53.398,64 3,65 3.971,66 7.111,67 7.111,68 5.434,70 8.149}
{0 CHEMBL197714,13 2,14 36.583,16 18.448,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.372,24 1.5,25 11.015,26 16.582,28 2.5,29 14.734,33 12.909,34 8.021,35 10.448,36 63.561,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.251,43 4.575,44 4.377,45 9.192,46 3.402,48 29.602,49 6.5,50 1.5,51 4,52 21.046,53 0.193,54 10.182,55 10.182,56 0.937,57 4.18,58 4.18,59 18.545,60 190,62 4.605,63 51.489,64 2,65 3.929,66 7.111,67 7.111,68 5.412,70 7.553}
{0 CHEMBL197907,13 2,14 36.568,16 18.451,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.374,24 1.5,25 11.022,26 16.584,28 2.5,29 14.736,33 12.91,34 8.021,35 10.452,36 63.672,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.251,43 4.537,44 4.343,45 9.195,46 3.395,48 27.996,49 6.507,50 1.5,51 4,52 20.352,53 0.193,54 10.217,55 10.217,56 0.9,57 4.18,58 4.18,59 18.545,60 190,62 4.59,63 50.586,64 2,65 3.915,66 7.111,67 7.111,68 5.354,70 7.237}
{0 CHEMBL198114,13 2,14 59.878,16 18.628,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.662,24 1.5,25 11.207,26 16.763,28 2.5,29 14.914,33 13.084,34 8.271,35 10.689,36 71.094,37 6.213,38 249,39 64,40 4.174,41 4.86,42 7.365,43 4.649,44 4.469,45 9.449,46 3.586,48 29.973,49 6.503,50 1.5,51 4,52 22.235,53 0.186,54 10.226,55 10.226,56 0.767,57 4.18,58 4.18,59 18.545,60 238,62 4.65,63 55.052,64 3,65 4,66 7.111,67 7.111,68 5.459,69 16.405,70 7.683}
{0 CHEMBL198150,13 2,14 60.513,16 18.814,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.709,24 1.5,25 11.299,26 16.918,28 2.5,29 15.037,33 13.176,34 8.337,35 10.78,36 70.436,37 6.205,38 247,39 63,40 4.159,41 4.844,42 7.359,43 4.657,44 4.476,45 9.53,46 3.55,48 30.477,49 7.111,50 1.5,51 4,52 23.066,53 0.188,54 11.657,55 11.657,56 0.895,57 4.187,58 4.187,59 18.612,60 226,62 4.658,63 54.046,64 3,65 3.988,66 7.111,67 7.111,68 5.468,70 8.77}
{0 CHEMBL198277,13 2,14 36.564,16 18.448,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.372,24 1.5,25 11.015,26 16.582,28 2.5,29 14.734,33 12.909,34 8.021,35 10.448,36 63.741,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.251,43 4.54,44 4.346,45 9.192,46 3.396,48 28.048,49 6.5,50 1.5,51 4,52 20.436,53 0.193,54 10.182,55 10.182,56 0.911,57 4.18,58 4.18,59 18.545,60 190,62 4.587,63 50.586,64 2,65 3.915,66 7.111,67 7.111,68 5.357,70 8.071}
{0 CHEMBL198497,13 2,14 48.077,16 18.474,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.42,24 1.5,25 11.055,26 16.612,28 2.5,29 14.769,33 12.951,34 8.061,35 10.484,36 68.369,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.313,43 4.615,44 4.443,45 9.229,46 3.41,48 29.488,49 6.501,50 1.5,51 4,52 20.905,53 0.187,54 10.184,55 10.184,56 0.834,57 4.18,58 4.18,59 18.545,60 226,62 4.631,63 53.949,64 2,65 3.976,66 7.111,67 7.111,68 5.44,69 18.011,70 7.585}
{0 CHEMBL198758,13 2,14 36.587,16 18.46,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.422,24 1.5,25 11.031,26 16.595,28 2.5,29 14.748,33 12.925,34 8.038,35 10.46,36 67.24,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.269,43 4.555,44 4.376,45 9.203,46 3.404,48 28.092,49 6.501,50 1.5,51 4,52 19.991,53 0.19,54 10.183,55 10.183,56 0.946,57 4.18,58 4.18,59 18.545,60 203,62 4.593,63 50.972,64 2,65 3.929,66 7.111,67 7.111,68 5.375,70 9}
{0 CHEMBL198777,13 2,14 48.14,16 18.513,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.438,24 1.5,25 11.078,26 16.65,28 2.5,29 14.804,33 12.98,34 8.085,35 10.507,36 67.398,37 6.168,38 238,39 60,40 4.111,41 4.796,42 7.303,43 4.591,44 4.421,45 9.257,46 3.407,48 28.998,49 6.502,50 1.5,51 4,52 20.65,53 0.189,54 10.186,55 10.186,56 0.915,57 4.18,58 4.18,59 18.545,60 214,62 4.611,63 52.188,64 2,65 3.95,66 7.111,67 7.111,68 5.429,69 32.897,70 6.585}
{0 CHEMBL198884,13 2,14 62.435,16 18.924,17 1,18 12.506,19 12.506,20 12.506,21 5,22 13.797,24 1.763,25 11.424,26 17.021,28 2.695,29 15.135,33 13.273,34 8.428,35 10.874,36 79.536,37 6.347,38 285,39 72,40 4.29,41 4.977,42 7.493,43 4.752,44 4.572,45 9.608,46 3.587,48 33.434,49 7.111,50 2.019,51 4,52 24.867,53 0.173,54 11.657,55 11.657,56 1.028,57 4.309,58 4.309,59 19.84,60 302,62 4.769,63 60.813,64 3,65 4.113,66 7.307,67 7.307,68 5.554,69 16.405,70 6.131}
{0 CHEMBL199118,13 2,14 49.424,16 18.52,17 1,18 11.657,19 11.657,20 11.657,21 5,22 13.514,24 1.975,25 11.127,26 16.668,28 2.844,29 14.835,33 13.027,34 8.122,35 10.552,36 78.707,37 6.323,38 278,39 70,40 4.263,41 4.949,42 7.448,43 4.761,44 4.591,45 9.288,46 3.587,48 33.659,49 6.501,50 2.019,51 4,52 24.045,53 0.172,54 10.184,55 10.184,56 0.905,57 4.18,58 4.18,59 18.545,60 326,62 4.767,63 61.472,64 2,65 4.117,66 7.111,67 7.111,68 5.557,69 18.011,70 8.229}
{0 CHEMBL199119,13 2,14 49.433,16 18.564,17 1,18 11.657,19 11.657,20 11.657,21 5,22 13.531,24 1.516,25 11.156,26 16.709,28 2.557,29 14.871,33 13.056,34 8.148,35 10.578,36 77.763,37 6.312,38 275,39 69,40 4.248,41 4.934,42 7.44,43 4.722,44 4.548,45 9.316,46 3.587,48 32.967,49 6.501,50 2.019,51 4,52 23.544,53 0.173,54 10.184,55 10.184,56 1.014,57 4.18,58 4.18,59 18.545,60 296,62 4.752,63 59.711,64 2,65 4.091,66 7.111,67 7.111,68 5.537,69 18.011,70 6.886}
{0 CHEMBL199147,13 2,14 36.524,15 2,16 18.467,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.414,24 1.5,25 11.041,26 16.605,28 2.5,29 14.762,33 12.943,34 8.055,35 10.475,36 65.601,37 6.146,38 233,39 59,40 4.094,41 4.779,42 7.286,43 4.496,44 4.343,45 9.227,46 3.395,48 26.231,49 6.502,50 1.5,51 4,52 19.87,53 0.191,54 10.187,55 10.187,56 0.788,57 4.18,58 4.18,59 18.545,60 202,62 4.548,63 49.603,64 2,65 3.914,66 7.111,67 7.111,68 5.38,70 6.108}
{0 CHEMBL199258,13 2,14 36.53,15 1,16 18.448,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.372,24 1.5,25 11.015,26 16.582,28 2.5,29 14.734,33 12.909,34 8.021,35 10.448,36 63.719,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.251,43 4.499,44 4.324,45 9.192,46 3.394,48 26.954,49 6.5,50 1.5,51 4,52 19.774,53 0.193,54 10.182,55 10.182,56 0.841,57 4.18,58 4.18,59 18.545,60 190,62 4.551,63 49.665,64 2,65 3.907,66 7.111,67 7.111,68 5.363,70 6.509}
{0 CHEMBL2011439,16 16.947,18 9.175,19 9.175,20 9.175,21 3,22 12.454,24 -0.211,25 9.823,26 15.215,28 1.069,29 13.5,33 11.807,34 6.763,35 9.213,36 37.789,37 5.58,38 132,39 33,40 3.526,41 4.205,42 6.666,43 3.785,44 3.635,45 7.881,46 2.88,48 10.687,49 5.343,50 0.112,52 8.241,53 0.236,54 6.973,55 6.973,56 1.597,57 3.859,58 3.859,59 15.474,60 90,61 1,62 3.846,63 30.671,65 3.424,66 6.172,67 6.172,68 4.436,69 18.011,70 5.086}
{0 CHEMBL2011440,14 24.241,16 18.269,18 12.554,19 12.554,20 12.554,21 2,22 13.189,24 -1.347,25 10.746,26 16.354,28 0.474,29 14.456,33 12.58,34 7.743,35 10.203,36 33.886,37 5.493,38 121,39 31,40 3.466,41 4.143,42 6.653,43 2.911,44 2.738,45 8.962,46 2.364,48 2.065,49 6.259,50 -0.898,52 2.976,53 0.279,54 9.392,55 9.392,56 1.261,57 4.306,58 4.306,59 20.038,60 54,61 2,62 3.141,63 21.534,64 2,65 3.099,66 7.316,67 7.316,68 3.288,69 16.405,70 4.862}
{0 CHEMBL2011441,14 24.147,16 18.185,18 12.552,19 12.552,20 12.552,21 2,22 13.112,24 -1.617,25 10.657,26 16.262,28 0.472,29 14.357,33 12.476,34 7.662,35 10.12,36 31.505,37 5.425,38 113,39 29,40 3.401,41 4.078,42 6.578,43 2.871,44 2.64,45 8.87,46 2.335,48 2.5,49 6.154,50 -1.027,52 3.54,53 0.284,54 9.063,55 9.063,56 1.37,57 4.305,58 4.305,59 20.035,60 49,61 2,62 3.035,63 21.17,64 2,65 3.07,66 7.316,67 7.316,68 3.245,69 16.405,70 4.595}
{0 CHEMBL2018969,10 1,11 1,12 1,14 37.924,16 18.913,18 12.608,19 12.608,20 12.608,21 5,22 13.712,24 1.673,25 11.397,26 16.995,28 2.629,29 15.093,33 13.212,34 8.385,35 10.858,36 61.948,37 6.125,38 228,39 58,40 4.078,41 4.762,42 7.281,43 4.358,44 4.234,45 9.601,46 3.252,47 1,48 17.625,49 7.053,50 1.72,52 15.948,53 0.201,54 11.652,55 11.652,56 1.112,57 4.347,58 4.347,59 20.175,60 170,61 2,62 4.367,63 42.824,64 1,65 3.775,66 7.322,67 7.322,68 5.083,69 77.099,70 5.2}
{0 CHEMBL202756,12 1,14 27.002,16 18.208,18 10.37,19 10.37,20 10.37,21 6,22 13.348,24 1.766,25 10.968,26 16.417,28 2.718,29 14.64,33 12.882,34 7.874,35 10.295,36 83.23,37 6.372,38 292,39 72,40 4.29,41 4.977,42 7.453,43 4.87,44 4.728,45 9.021,46 3.521,47 1,48 35.546,49 6.218,50 1.832,52 25.491,53 0.164,54 9.301,55 9.301,56 1.073,57 4.076,58 4.076,59 17.278,60 480,62 4.891,63 68.523,64 1,65 4.198,66 6.545,67 6.545,68 5.646,69 18.011,70 7.602}
{0 CHEMBL202814,14 26.695,16 18.207,18 10.374,19 10.374,20 10.374,21 6,22 13.344,24 1.756,25 10.964,26 16.415,28 2.713,29 14.637,33 12.877,34 7.874,35 10.291,36 80.51,37 6.344,38 284,39 70,40 4.263,41 4.949,42 7.43,43 4.719,44 4.591,45 9.021,46 3.511,47 1,48 29.359,49 6.218,50 1.809,52 21.321,53 0.167,54 9.301,55 9.301,56 1.078,57 4.081,58 4.081,59 17.284,60 452,62 4.729,63 64.245,64 2,65 4.14,66 6.546,67 6.546,68 5.468,69 18.011,70 8.658}
{0 CHEMBL20345,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.253,15 2,16 17.985,17 2,18 10.707,19 10.707,20 10.707,21 5,22 12.871,23 4,24 1.225,25 10.775,26 16.199,27 2,28 2.24,29 14.43,30 1,31 1,32 1,33 12.682,34 7.689,35 10.136,36 65.764,37 6.142,38 232,39 58,40 4.078,41 4.762,42 7.29,43 4.631,44 4.474,45 8.866,46 3.333,48 30.485,49 6.322,50 1.5,51 1,52 22.502,53 0.188,54 9.499,55 9.499,56 0.694,57 4.146,58 4.146,59 17.667,60 256,61 1,62 4.648,63 50.671,65 3.934,66 6.636,67 6.636,68 5.497,69 42.683,70 10}
{0 CHEMBL203536,13 1,14 26.768,16 18.222,18 10.398,19 10.398,20 10.398,21 6,22 13.36,24 1.794,25 10.985,26 16.433,28 2.769,29 14.658,33 12.901,34 7.901,35 10.315,36 82.633,37 6.365,38 290,39 72,40 4.29,41 4.977,42 7.455,43 4.768,44 4.632,45 9.051,46 3.535,47 1,48 32.017,49 6.218,50 1.848,52 23.038,53 0.166,54 9.301,55 9.301,56 1.065,57 4.085,58 4.085,59 17.343,60 466,62 4.8,63 66.006,64 2,65 4.164,66 6.551,67 6.551,68 5.545,69 18.011,70 8.708}
{0 CHEMBL2036782,13 2,14 25.325,16 17.804,17 1,18 9.782,19 9.782,20 9.782,21 3,22 12.672,24 0.284,25 10.504,26 16.018,28 1.522,29 14.243,33 12.483,34 7.466,35 9.876,36 47.629,37 5.814,38 167,39 42,40 3.761,41 4.443,42 6.946,43 3.895,44 3.711,45 8.653,46 2.999,48 14.601,49 6.067,50 0.852,52 10.251,53 0.228,54 8.762,55 8.762,56 1.132,57 3.983,58 3.983,59 16.62,60 110,61 3,62 3.948,63 35.79,64 2,65 3.54,66 6.416,67 6.416,68 4.776,69 36.022,70 7.658}
{0 CHEMBL20453,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 2,13 6,14 12.148,15 2,16 18.101,17 2,18 10.708,19 10.708,20 10.708,21 5,22 12.941,23 4,24 1.5,25 10.857,26 16.309,27 1,28 2.5,29 14.533,30 1,31 1,32 1,33 12.774,34 7.82,35 10.228,36 63.949,37 6.159,38 236,39 59,40 4.094,41 4.779,42 7.277,43 4.579,44 4.438,45 8.99,46 3.348,48 28.644,49 6.324,50 1.607,51 1,52 20.435,53 0.188,54 9.508,55 9.508,56 0.738,57 4.147,58 4.147,59 17.669,60 240,61 1,62 4.614,63 49.478,65 3.919,66 6.636,67 6.636,68 5.456,69 85.367,70 9.398}
{0 CHEMBL204743,10 1,12 1,14 26.966,16 18.282,18 10.409,19 10.409,20 10.409,21 7,22 13.475,24 1.851,25 11.058,26 16.498,28 2.844,29 14.727,33 12.975,34 7.972,35 10.397,36 88.619,37 6.447,38 315,39 78,40 4.369,41 5.056,42 7.536,43 4.838,44 4.717,45 9.134,46 3.543,47 2,48 32.166,49 6.218,50 2.005,52 23.138,53 0.159,54 9.301,55 9.301,56 1.044,57 4.088,58 4.088,59 17.371,60 508,62 4.842,63 68.251,64 1,65 4.21,66 6.554,67 6.554,68 5.589,69 18.011,70 8.704}
{0 CHEMBL204821,12 1,13 1,14 26.749,16 18.222,18 10.417,19 10.417,20 10.417,21 6,22 13.359,24 1.785,25 10.984,26 16.432,28 2.751,29 14.656,33 12.899,34 7.901,35 10.314,36 81.333,37 6.351,38 286,39 71,40 4.277,41 4.963,42 7.444,43 4.713,44 4.586,45 9.053,46 3.514,47 1,48 29.544,49 6.218,50 1.847,52 21.328,53 0.168,54 9.301,55 9.301,56 1.081,57 4.096,58 4.096,59 17.36,60 452,62 4.754,63 65.001,64 1,65 4.151,66 6.557,67 6.557,68 5.479,69 18.011,70 8.499}
{0 CHEMBL205021,12 1,14 26.888,16 18.207,18 10.37,19 10.37,20 10.37,21 6,22 13.346,24 1.762,25 10.966,26 16.416,28 2.715,29 14.639,33 12.88,34 7.874,35 10.293,36 81.927,37 6.358,38 288,39 71,40 4.277,41 4.963,42 7.441,43 4.8,44 4.664,45 9.021,46 3.517,47 1,48 32.594,49 6.218,50 1.821,52 23.495,53 0.166,54 9.301,55 9.301,56 1.08,57 4.077,58 4.077,59 17.278,60 466,62 4.821,63 66.762,64 1,65 4.175,66 6.545,67 6.545,68 5.557,69 18.011,70 8.328}
{0 CHEMBL205539,13 2,14 51.254,15 1,16 18.845,17 1,18 13.611,19 13.611,20 13.611,21 4,22 13.489,24 1.464,25 11.288,26 16.918,28 2.5,29 15.014,33 13.139,34 8.233,35 10.688,36 67.143,37 6.172,38 239,39 60,40 4.111,41 4.796,42 7.318,43 4.458,44 4.326,45 9.419,46 3.335,48 22.388,49 6.619,50 1.5,51 6,52 17.668,53 0.192,54 10.487,55 10.487,56 1.2,57 4.374,58 4.374,59 21.57,60 229,62 4.515,63 49.08,64 3,65 3.894,66 7.666,67 7.666,68 5.304,70 8.474}
{0 CHEMBL205706,13 2,14 49.7,16 18.571,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.448,24 1.5,25 11.133,26 16.715,28 2.5,29 14.876,33 13.058,34 8.141,35 10.574,36 71.572,37 6.225,38 252,39 64,40 4.174,41 4.86,42 7.368,43 4.598,44 4.445,45 9.337,46 3.418,48 26.101,49 6.618,50 1.609,51 2,52 19.691,53 0.186,54 10.481,55 10.481,56 1.193,57 4.254,58 4.254,59 18.854,60 272,62 4.618,63 55.432,64 5,65 3.985,66 7.111,67 7.111,68 5.384,70 7.721}
{0 CHEMBL2057533,16 17.921,18 11.783,19 11.783,20 11.783,21 3,22 12.734,24 0.741,25 10.551,26 16.049,28 1.823,29 14.194,33 12.364,34 7.338,35 9.848,36 44.94,37 5.771,38 160,39 39,40 3.689,41 4.369,42 6.821,43 4.385,44 4.147,45 8.531,46 3.374,48 24.78,49 6.03,50 0.844,52 17.169,53 0.217,54 8.392,55 8.392,56 0.98,57 4.286,58 4.286,59 19.783,60 201,62 4.421,63 49.66,65 3.816,66 6.981,67 6.981,68 5.271,70 5.268}
{0 CHEMBL2057534,16 17.563,18 11.147,19 11.147,20 11.147,21 3,22 12.468,24 -0.653,25 10.219,26 15.71,28 0.543,29 13.872,33 12.059,34 7.05,35 9.539,36 31.57,37 5.434,38 114,39 28,40 3.367,41 4.043,42 6.506,43 3.589,44 3.343,45 8.249,46 3.062,48 11.368,49 5.863,50 -0.607,52 7.843,53 0.263,54 7.834,55 7.834,56 0.806,57 4.174,58 4.174,59 18.634,60 100,62 3.691,63 32.807,65 3.424,66 6.793,67 6.793,68 4.506,70 5.036}
{0 CHEMBL2057807,16 17.542,18 10.922,19 10.922,20 10.922,21 3,22 12.465,24 -0.675,25 10.192,26 15.694,28 0.528,29 13.862,33 12.053,34 7.029,35 9.526,36 31.549,37 5.434,38 114,39 28,40 3.367,41 4.043,42 6.506,43 3.585,44 3.341,45 8.241,46 3.085,48 11.286,49 5.933,50 -0.446,52 7.786,53 0.263,54 8.142,55 8.142,56 0.822,57 4.159,58 4.159,59 18.435,60 100,62 3.685,63 32.807,65 3.424,66 6.748,67 6.748,68 4.497,70 4.788}
{0 CHEMBL2057808,16 17.487,18 10.774,19 10.774,20 10.774,21 1,22 12.488,24 0.339,25 10.137,26 15.648,28 1.393,29 13.829,33 12.037,34 6.963,35 9.475,36 39.642,37 5.617,38 137,39 34,40 3.555,41 4.234,42 6.658,43 4.239,44 4.004,45 8.161,46 3.28,48 21.273,49 5.863,50 0.467,52 14.696,53 0.231,54 7.834,55 7.834,56 0.994,57 4.154,58 4.154,59 18.261,60 181,62 4.274,63 46.518,65 3.735,66 6.72,67 6.72,68 5.122,70 4}
{0 CHEMBL2057809,16 17.547,18 10.911,19 10.911,20 10.911,21 1,22 12.527,24 0.723,25 10.221,26 15.707,28 1.795,29 13.888,33 12.098,34 7.029,35 9.54,36 44.849,37 5.733,38 154,39 38,40 3.664,41 4.344,42 6.763,43 4.503,44 4.284,45 8.204,46 3.401,48 27.529,49 5.923,50 0.85,52 19.032,53 0.216,54 8.109,55 8.109,56 0.859,57 4.169,58 4.169,59 18.421,60 228,62 4.523,63 52.257,65 3.848,66 6.744,67 6.744,68 5.407,70 4.262}
{0 CHEMBL2057810,16 17.921,18 11.783,19 11.783,20 11.783,21 3,22 12.734,24 0.741,25 10.551,26 16.049,28 1.823,29 14.194,33 12.364,34 7.338,35 9.848,36 44.94,37 5.771,38 160,39 39,40 3.689,41 4.369,42 6.821,43 4.385,44 4.147,45 8.531,46 3.374,48 24.78,49 6.03,50 0.844,52 17.169,53 0.217,54 8.392,55 8.392,56 0.98,57 4.286,58 4.286,59 19.783,60 201,62 4.421,63 49.66,65 3.816,66 6.981,67 6.981,68 5.271,70 5.187}
{0 CHEMBL2057811,16 17.921,18 11.783,19 11.783,20 11.783,21 3,22 12.675,24 0.702,25 10.551,26 16.049,28 1.724,29 14.194,33 12.364,34 7.338,35 9.848,36 44.875,37 5.771,38 160,39 39,40 3.689,41 4.369,42 6.821,43 4.46,44 4.203,45 8.531,46 3.384,48 26.933,49 6.03,50 0.802,52 18.676,53 0.217,54 8.392,55 8.392,56 1.147,57 4.286,58 4.286,59 19.783,60 201,62 4.514,63 51.183,65 3.839,66 6.981,67 6.981,68 5.401,70 5.108}
{0 CHEMBL2057812,16 17.921,18 11.783,19 11.783,20 11.783,21 3,22 12.734,24 0.741,25 10.551,26 16.049,28 1.823,29 14.194,33 12.364,34 7.338,35 9.848,36 44.94,37 5.771,38 160,39 39,40 3.689,41 4.369,42 6.821,43 4.385,44 4.147,45 8.531,46 3.374,48 24.78,49 6.03,50 0.844,52 17.169,53 0.217,54 8.392,55 8.392,56 0.98,57 4.286,58 4.286,59 19.783,60 201,62 4.421,63 49.66,65 3.816,66 6.981,67 6.981,68 5.271,70 4.996}
{0 CHEMBL2057813,16 17.921,18 11.783,19 11.783,20 11.783,21 3,22 12.734,24 0.741,25 10.551,26 16.049,28 1.823,29 14.194,33 12.364,34 7.338,35 9.848,36 44.94,37 5.771,38 160,39 39,40 3.689,41 4.369,42 6.821,43 4.385,44 4.147,45 8.531,46 3.374,48 24.78,49 6.03,50 0.844,52 17.169,53 0.217,54 8.392,55 8.392,56 0.98,57 4.286,58 4.286,59 19.783,60 201,62 4.421,63 49.66,65 3.816,66 6.981,67 6.981,68 5.271,70 5.036}
{0 CHEMBL2057814,16 17.919,18 11.775,19 11.775,20 11.775,21 3,22 12.73,24 0.826,25 10.554,26 16.048,28 1.879,29 14.195,33 12.367,34 7.338,35 9.839,36 46.122,37 5.796,38 164,39 40,40 3.714,41 4.394,42 6.855,43 4.458,44 4.217,45 8.509,46 3.401,48 26.828,49 6.026,50 0.877,52 18.611,53 0.214,54 8.378,55 8.378,56 1.134,57 4.28,58 4.28,59 19.775,60 212,62 4.506,63 51.421,65 3.85,66 6.979,67 6.979,68 5.357,70 5}
{0 CHEMBL2057815,16 17.919,18 11.774,19 11.774,20 11.774,21 3,22 12.731,24 0.845,25 10.556,26 16.049,28 1.891,29 14.197,33 12.371,34 7.338,35 9.835,36 46.982,37 5.82,38 168,39 41,40 3.738,41 4.419,42 6.864,43 4.527,44 4.281,45 8.506,46 3.419,48 28.867,49 6.025,50 0.902,52 20.047,53 0.211,54 8.374,55 8.374,56 1.277,57 4.277,58 4.277,59 19.774,60 223,62 4.584,63 53.183,65 3.882,66 6.978,67 6.978,68 5.436,70 5.076}
{0 CHEMBL2057816,16 17.919,18 11.775,19 11.775,20 11.775,21 3,22 12.73,24 0.826,25 10.554,26 16.048,28 1.879,29 14.195,33 12.367,34 7.338,35 9.839,36 46.122,37 5.796,38 164,39 40,40 3.714,41 4.394,42 6.855,43 4.458,44 4.217,45 8.509,46 3.401,48 26.828,49 6.026,50 0.877,52 18.611,53 0.214,54 8.378,55 8.378,56 1.134,57 4.28,58 4.28,59 19.775,60 212,62 4.506,63 51.421,65 3.85,66 6.979,67 6.979,68 5.357,70 5.337}
{0 CHEMBL2057817,16 17.919,18 11.774,19 11.774,20 11.774,21 3,22 12.731,24 0.845,25 10.556,26 16.049,28 1.891,29 14.197,33 12.371,34 7.338,35 9.835,36 46.982,37 5.82,38 168,39 41,40 3.738,41 4.419,42 6.864,43 4.527,44 4.281,45 8.506,46 3.419,48 28.867,49 6.025,50 0.902,52 20.047,53 0.211,54 8.374,55 8.374,56 1.277,57 4.277,58 4.277,59 19.774,60 223,62 4.584,63 53.183,65 3.882,66 6.978,67 6.978,68 5.436,70 4.318}
{0 CHEMBL2057818,16 17.919,18 11.775,19 11.775,20 11.775,21 3,22 12.67,24 0.78,25 10.554,26 16.048,28 1.786,29 14.195,33 12.367,34 7.338,35 9.839,36 46.045,37 5.796,38 164,39 40,40 3.714,41 4.394,42 6.855,43 4.538,44 4.276,45 8.509,46 3.411,48 29.332,49 6.026,50 0.852,52 20.362,53 0.214,54 8.378,55 8.378,56 1.284,57 4.28,58 4.28,59 19.775,60 212,62 4.602,63 52.944,65 3.872,66 6.979,67 6.979,68 5.496,70 4.818}
{0 CHEMBL2057819,16 17.919,18 11.774,19 11.774,20 11.774,21 3,22 12.671,24 0.802,25 10.556,26 16.049,28 1.81,29 14.197,33 12.371,34 7.338,35 9.835,36 46.906,37 5.82,38 168,39 41,40 3.738,41 4.419,42 6.864,43 4.611,44 4.344,45 8.506,46 3.428,48 31.723,49 6.025,50 0.885,52 22.043,53 0.211,54 8.374,55 8.374,56 1.412,57 4.277,58 4.277,59 19.774,60 223,62 4.683,63 54.706,65 3.903,66 6.978,67 6.978,68 5.582,70 4.425}
{0 CHEMBL205851,13 2,14 25.289,15 1,16 17.958,17 1,18 10.487,19 10.487,20 10.487,21 4,22 12.935,24 1.162,25 10.693,26 16.177,28 2.257,29 14.409,33 12.66,34 7.653,35 10.056,36 61.74,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.206,43 4.431,44 4.295,45 8.813,46 3.289,48 22.338,49 5.977,50 1.494,51 6,52 16.693,53 0.195,54 8.389,55 8.389,56 1.003,57 4.063,58 4.063,59 17.658,60 235,62 4.485,63 47.529,64 2,65 3.845,66 6.619,67 6.619,68 5.281,69 18.011,70 7.642}
{0 CHEMBL205964,13 2,14 50.039,16 18.676,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.531,24 1.606,25 11.252,26 16.819,28 2.611,29 14.977,33 13.155,34 8.318,35 10.744,36 74.886,37 6.267,38 263,39 68,40 4.234,41 4.92,42 7.426,43 4.654,44 4.49,45 9.515,46 3.567,48 29.07,49 6.618,50 1.756,51 2,52 21.532,53 0.183,54 10.481,55 10.481,56 1.026,57 4.254,58 4.254,59 18.854,60 284,62 4.713,63 58.955,64 4,65 4.044,66 7.111,67 7.111,68 5.478,69 18.011,70 7.94}
{0 CHEMBL20598,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 2,13 5,14 12.171,15 2,16 18.619,17 2,18 12.407,19 12.407,20 12.407,21 5,22 13.155,23 4,24 1.5,25 11.194,26 16.741,27 1,28 2.5,29 14.883,30 1,31 1,32 1,33 13.051,34 8.191,35 10.62,36 65.934,37 6.201,38 246,39 62,40 4.143,41 4.828,42 7.339,43 4.61,44 4.463,45 9.371,46 3.401,48 30.11,49 6.636,50 1.673,51 1,52 21.197,53 0.188,54 10.708,55 10.708,56 0.717,57 4.344,58 4.344,59 19.573,60 237,61 1,62 4.669,63 51.239,65 3.949,66 7.293,67 7.293,68 5.514,69 85.367,70 8.796}
{0 CHEMBL20602,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 37.326,15 2,16 18.645,17 2,18 12.407,19 12.407,20 12.407,21 4,22 13.387,23 2,24 1.5,25 11.196,26 16.756,27 1,28 2.5,29 14.888,30 1,31 1,32 1,33 13.044,34 8.169,35 10.602,36 64.868,37 6.146,38 233,39 59,40 4.094,41 4.779,42 7.288,43 4.567,44 4.422,45 9.348,46 3.468,48 27.913,49 6.728,50 1.597,51 1,52 20.556,53 0.195,54 10.919,55 10.919,56 0.794,57 4.238,58 4.238,59 19.573,60 224,61 1,62 4.565,63 48.819,64 1,65 3.897,66 7.293,67 7.293,68 5.436,69 42.683,70 9.046}
{0 CHEMBL206088,13 2,14 49.262,16 18.568,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.429,24 1.475,25 11.126,26 16.704,28 2.532,29 14.857,33 13.03,34 8.122,35 10.557,36 68.069,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.323,43 4.547,44 4.382,45 9.312,46 3.399,48 25.992,49 6.618,50 1.607,51 2,52 19.633,53 0.19,54 10.481,55 10.481,56 1.034,57 4.254,58 4.254,59 18.854,60 204,62 4.597,63 51.909,64 4,65 3.934,66 7.111,67 7.111,68 5.402,69 32.897,70 7.921}
{0 CHEMBL20622,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.253,15 1,16 18.594,17 2,18 12.407,19 12.407,20 12.407,21 5,22 13.089,23 4,24 1.5,25 11.165,26 16.712,27 2,28 2.5,29 14.85,30 2,31 1,32 1,33 13.014,34 8.129,35 10.585,36 64.874,37 6.188,38 243,39 61,40 4.127,41 4.812,42 7.354,43 4.629,44 4.467,45 9.315,46 3.361,48 30.795,49 6.632,50 1.5,51 3,52 21.599,53 0.187,54 10.689,55 10.689,56 0.925,57 4.282,58 4.282,59 19.573,60 237,61 1,62 4.657,63 50.722,65 3.944,66 7.293,67 7.293,68 5.497,69 42.683,70 9.699}
{0 CHEMBL2064162,16 16.996,18 9.806,19 9.806,20 9.806,21 1,22 12.19,24 -0.445,25 9.736,26 15.202,28 0.728,29 13.427,33 11.68,34 6.605,35 9.102,36 31.482,37 5.38,38 108,39 27,40 3.332,41 4.007,42 6.425,43 3.777,44 3.553,45 7.793,46 3.066,48 13.59,49 5.296,50 -0.328,52 9.34,53 0.26,54 6.767,55 6.767,56 0.806,57 4.006,58 4.006,59 16.64,60 120,62 3.87,63 35.404,65 3.471,66 6.423,67 6.423,68 4.746,70 4.523}
{0 CHEMBL2064163,16 17.029,18 10.061,19 10.061,20 10.061,21 1,22 12.193,24 -0.619,25 9.775,26 15.225,28 0.629,29 13.443,33 11.688,34 6.629,35 9.119,36 31.505,37 5.38,38 108,39 27,40 3.332,41 4.007,42 6.425,43 3.863,44 3.638,45 7.804,46 3.05,48 14.822,49 5.066,50 -0.274,52 10.206,53 0.26,54 5.945,55 5.945,56 0.799,57 4.023,58 4.023,59 16.95,60 120,62 3.947,63 35.404,65 3.471,66 6.477,67 6.477,68 4.836,70 4.523}
{0 CHEMBL2064164,16 16.927,18 9.765,19 9.765,20 9.765,21 1,22 12.138,24 -1.14,25 9.639,26 15.128,28 -0.03,29 13.348,33 11.594,34 6.529,35 9.018,36 26.259,37 5.209,38 91,39 23,40 3.178,41 3.85,42 6.275,43 3.424,44 3.18,45 7.739,46 3.045,48 9.555,49 5.016,50 -0.761,52 6.565,53 0.288,54 5.941,55 5.941,56 0.807,57 3.996,58 3.996,59 16.599,60 81,62 3.509,63 29.665,65 3.302,66 6.417,67 6.417,68 4.34,70 4.523}
{0 CHEMBL2064263,16 17.542,18 10.922,19 10.922,20 10.922,21 3,22 12.465,24 -0.675,25 10.192,26 15.694,28 0.528,29 13.862,33 12.053,34 7.029,35 9.526,36 31.549,37 5.434,38 114,39 28,40 3.367,41 4.043,42 6.506,43 3.585,44 3.341,45 8.241,46 3.085,48 11.286,49 5.933,50 -0.446,52 7.786,53 0.263,54 8.142,55 8.142,56 0.822,57 4.159,58 4.159,59 18.435,60 100,62 3.685,63 32.807,65 3.424,66 6.748,67 6.748,68 4.497,70 4.863}
{0 CHEMBL2064264,16 17.542,18 10.922,19 10.922,20 10.922,21 3,22 12.427,24 -0.622,25 10.192,26 15.694,28 0.448,29 13.862,33 12.053,34 7.029,35 9.526,36 31.519,37 5.434,38 114,39 28,40 3.367,41 4.043,42 6.506,43 3.637,44 3.378,45 8.241,46 3.089,48 11.984,49 5.933,50 -0.445,52 8.271,53 0.263,54 8.142,55 8.142,56 0.932,57 4.159,58 4.159,59 18.435,60 100,62 3.757,63 33.569,65 3.441,66 6.748,67 6.748,68 4.592,70 4.785}
{0 CHEMBL2064265,16 17.563,18 11.147,19 11.147,20 11.147,21 3,22 12.468,24 -0.653,25 10.219,26 15.71,28 0.543,29 13.872,33 12.059,34 7.05,35 9.539,36 31.57,37 5.434,38 114,39 28,40 3.367,41 4.043,42 6.506,43 3.589,44 3.343,45 8.249,46 3.062,48 11.368,49 5.863,50 -0.607,52 7.843,53 0.263,54 7.834,55 7.834,56 0.806,57 4.174,58 4.174,59 18.634,60 100,62 3.691,63 32.807,65 3.424,66 6.793,67 6.793,68 4.506,70 5.036}
{0 CHEMBL2064266,16 17.563,18 11.147,19 11.147,20 11.147,21 3,22 12.429,24 -0.638,25 10.219,26 15.71,28 0.483,29 13.872,33 12.059,34 7.05,35 9.539,36 31.535,37 5.434,38 114,39 28,40 3.367,41 4.043,42 6.506,43 3.637,44 3.378,45 8.249,46 3.075,48 11.984,49 5.863,50 -0.577,52 8.271,53 0.263,54 7.834,55 7.834,56 0.917,57 4.174,58 4.174,59 18.634,60 100,62 3.757,63 33.569,65 3.441,66 6.793,67 6.793,68 4.592,70 4.979}
{0 CHEMBL207004,13 2,14 36.706,16 18.063,17 1,18 10.487,19 10.487,20 10.487,21 4,22 13.034,24 1.492,25 10.778,26 16.278,28 2.5,29 14.506,33 12.75,34 7.745,35 10.142,36 65.008,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.261,43 4.545,44 4.4,45 8.906,46 3.302,48 26.218,49 5.977,50 1.5,51 2,52 18.246,53 0.191,54 8.389,55 8.389,56 1.13,57 4.066,58 4.066,59 17.658,60 246,62 4.562,63 51.711,64 2,65 3.922,66 6.619,67 6.619,68 5.403,69 32.897,70 8.456}
{0 CHEMBL207085,13 2,14 25.143,16 17.77,17 1,18 10.445,19 10.445,20 10.445,21 4,22 12.677,24 1.155,25 10.516,26 15.983,28 2.256,29 14.211,33 12.461,34 7.445,35 9.865,36 55.558,37 5.979,38 197,39 49,40 3.912,41 4.595,42 7.083,43 4.352,44 4.192,45 8.582,46 3.294,48 22.736,49 5.937,50 1.457,51 2,52 15.138,53 0.199,54 8.251,55 8.251,56 1.313,57 4.048,58 4.048,59 17.581,60 188,62 4.429,63 46.631,64 2,65 3.818,66 6.61,67 6.61,68 5.252,70 7.47}
{0 CHEMBL207182,13 2,14 25.301,15 1,16 17.958,17 1,18 10.487,19 10.487,20 10.487,21 4,22 12.935,24 1.162,25 10.693,26 16.177,28 2.257,29 14.409,33 12.66,34 7.653,35 10.056,36 61.852,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.206,43 4.445,44 4.305,45 8.813,46 3.295,48 22.939,49 5.977,50 1.494,51 2,52 17.154,53 0.195,54 8.389,55 8.389,56 0.944,57 4.063,58 4.063,59 17.658,60 235,62 4.5,63 48.285,64 2,65 3.862,66 6.619,67 6.619,68 5.292,70 8.722}
{0 CHEMBL207190,13 2,14 37.392,15 1,16 18.435,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.341,24 1.226,25 11.004,26 16.577,28 2.303,29 14.738,33 12.921,34 8.019,35 10.457,36 64.56,37 6.125,38 228,39 58,40 4.078,41 4.762,42 7.268,43 4.483,44 4.332,45 9.211,46 3.399,48 23.336,49 6.618,50 1.5,51 2,52 18.444,53 0.194,54 10.481,55 10.481,56 0.975,57 4.254,58 4.254,59 18.854,60 248,62 4.519,63 49.387,64 4,65 3.889,66 7.111,67 7.111,68 5.307,70 8.58}
{0 CHEMBL207301,13 2,14 49.175,16 18.516,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.418,24 1.5,25 11.085,26 16.661,28 2.5,29 14.823,33 13.007,34 8.098,35 10.528,36 69.635,37 6.196,38 245,39 62,40 4.143,41 4.828,42 7.336,43 4.564,44 4.416,45 9.287,46 3.406,48 25.158,49 6.618,50 1.608,51 2,52 19.342,53 0.188,54 10.481,55 10.481,56 1.104,57 4.254,58 4.254,59 18.854,60 285,62 4.585,63 53.12,64 5,65 3.954,66 7.111,67 7.111,68 5.36,70 8.246}
{0 CHEMBL207447,13 2,14 62.713,15 1,16 18.883,17 1,18 12.507,19 12.507,20 12.507,21 4,22 13.705,24 1.5,25 11.359,26 16.977,28 2.5,29 15.088,33 13.222,34 8.378,35 10.829,36 70.413,37 6.217,38 250,39 64,40 4.174,41 4.86,42 7.378,43 4.56,44 4.404,45 9.578,46 3.466,48 25.371,49 7.111,50 1.609,51 6,52 20.385,53 0.189,54 11.659,55 11.659,56 1.117,57 4.311,58 4.311,59 19.845,60 260,62 4.577,63 51.188,64 5,65 3.934,66 7.308,67 7.308,68 5.394,69 16.405,70 8.362}
{0 CHEMBL207485,13 2,14 48.769,16 18.501,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.409,24 1.5,25 11.067,26 16.646,28 2.5,29 14.808,33 12.992,34 8.084,35 10.515,36 68.06,37 6.176,38 240,39 61,40 4.127,41 4.812,42 7.319,43 4.552,44 4.399,45 9.275,46 3.406,48 25.158,49 6.618,50 1.606,51 2,52 19.135,53 0.19,54 10.481,55 10.481,56 1.046,57 4.254,58 4.254,59 18.854,60 260,62 4.565,63 51.909,64 4,65 3.934,66 7.111,67 7.111,68 5.356,69 32.897,70 8.144}
{0 CHEMBL207487,13 2,14 60.91,16 18.805,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.687,24 1.5,25 11.291,26 16.914,28 2.5,29 15.04,33 13.186,34 8.336,35 10.786,36 71.334,37 6.213,38 249,39 64,40 4.174,41 4.86,42 7.375,43 4.603,44 4.437,45 9.544,46 3.531,48 26.322,49 7.111,50 1.609,51 2,52 21.197,53 0.189,54 11.657,55 11.657,56 1.018,57 4.254,58 4.254,59 18.854,60 248,62 4.6,63 53.767,64 5,65 3.972,66 7.111,67 7.111,68 5.387,70 8.658}
{0 CHEMBL207630,13 2,14 37.447,16 18.448,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.392,24 1.231,25 11.019,26 16.591,28 2.5,29 14.752,33 12.937,34 8.036,35 10.469,36 67.99,37 6.146,38 233,39 59,40 4.094,41 4.779,42 7.286,43 4.526,44 4.369,45 9.223,46 3.405,48 24.216,49 6.618,50 1.5,51 2,52 18.615,53 0.191,54 10.481,55 10.481,56 1.088,57 4.254,58 4.254,59 18.854,60 272,62 4.549,63 50.694,64 4,65 3.912,66 7.111,67 7.111,68 5.311,70 8.812}
{0 CHEMBL207633,4 1,6 2,7 1,8 1,9 1,11 1,13 2,14 48.531,16 18.501,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.409,23 1,24 1.5,25 11.067,26 16.646,27 1,28 2.5,29 14.808,30 2,31 2,33 12.992,34 8.084,35 10.515,36 67.956,37 6.176,38 240,39 61,40 4.127,41 4.812,42 7.319,43 4.541,44 4.393,45 9.275,46 3.405,48 24.694,49 6.618,50 1.606,51 2,52 19.071,53 0.19,54 10.481,55 10.481,56 1.017,57 4.254,58 4.254,59 18.854,60 260,62 4.558,63 51.358,64 4,65 3.929,66 7.111,67 7.111,68 5.345,69 42.683,70 7.269}
{0 CHEMBL207654,13 2,14 38.201,15 1,16 18.153,17 1,18 10.487,19 10.487,20 10.487,21 4,22 13.056,24 1.258,25 10.839,26 16.352,28 2.383,29 14.564,33 12.793,34 7.786,35 10.191,36 65.397,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.251,43 4.449,44 4.312,45 8.955,46 3.299,48 22.307,49 6.393,50 1.5,51 6,52 17.538,53 0.193,54 9.675,55 9.675,56 1.127,57 4.063,58 4.063,59 17.658,60 232,62 4.506,63 48.625,64 2,65 3.877,66 6.619,67 6.619,68 5.285,70 8.532}
{0 CHEMBL20818,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 25.597,15 1,16 18.712,17 2,18 13.116,19 13.116,20 13.116,21 5,22 13.256,23 4,24 1.5,25 11.259,26 16.81,27 1,28 2.5,29 14.929,30 1,31 1,32 1,33 13.076,34 8.238,35 10.652,36 65.628,37 6.196,38 245,39 61,40 4.127,41 4.812,42 7.327,43 4.657,44 4.485,45 9.389,46 3.449,48 31.63,49 6.636,50 1.673,51 1,52 23.375,53 0.187,54 10.708,55 10.708,56 0.938,57 4.423,58 4.423,59 20.365,60 208,61 1,62 4.695,63 52.438,64 1,65 3.959,66 7.463,67 7.463,68 5.529,69 42.683,70 7.721}
{0 CHEMBL20831,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.013,15 2,16 18.645,17 2,18 12.407,19 12.407,20 12.407,21 4,22 13.128,23 2,24 1.5,25 11.196,26 16.756,27 1,28 2.5,29 14.888,30 1,31 1,32 1,33 13.044,34 8.169,35 10.602,36 62.819,37 6.146,38 233,39 59,40 4.094,41 4.779,42 7.288,43 4.552,44 4.417,45 9.348,46 3.327,48 27.629,49 6.728,50 1.595,51 3,52 19.779,53 0.195,54 10.919,55 10.919,56 0.845,57 4.282,58 4.282,59 19.573,60 224,61 1,62 4.552,63 47.898,65 3.882,66 7.293,67 7.293,68 5.436,69 42.683,70 9.301}
{0 CHEMBL20896,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.263,16 17.917,17 2,18 10.689,19 10.689,20 10.689,21 5,22 12.718,23 4,24 1.178,25 10.696,26 16.122,27 2,28 2.2,29 14.344,30 2,31 1,32 1,33 12.588,34 7.585,35 10.051,36 59.22,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.219,43 4.632,44 4.451,45 8.757,46 3.351,48 31.055,49 6.317,50 1.5,51 1,52 21.568,53 0.19,54 9.477,55 9.477,56 0.867,57 4.141,58 4.141,59 17.624,60 220,61 1,62 4.66,63 50.91,65 3.922,66 6.632,67 6.632,68 5.487,69 42.683,70 10}
{0 CHEMBL209251,13 2,14 60.483,15 2,16 18.872,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.781,24 1.5,25 11.366,26 16.983,28 2.5,29 15.108,33 13.254,34 8.404,35 10.842,36 74.657,37 6.263,38 262,39 67,40 4.22,41 4.905,42 7.425,43 4.652,44 4.508,45 9.602,46 3.554,48 29.107,49 7.111,50 1.948,51 4,52 23.244,53 0.185,54 11.657,55 11.657,56 0.788,57 4.188,58 4.188,59 18.629,60 250,62 4.653,63 53.921,64 3,65 4.002,66 7.111,67 7.111,68 5.493,70 7.678}
{0 CHEMBL209278,13 2,14 60.666,16 18.838,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.774,24 1.5,25 11.336,26 16.946,28 2.621,29 15.07,33 13.216,34 8.375,35 10.811,36 76.04,37 6.252,38 259,39 66,40 4.205,41 4.89,42 7.407,43 4.703,44 4.537,45 9.565,46 3.561,48 30.867,49 7.111,50 1.819,51 4,52 23.371,53 0.184,54 11.657,55 11.657,56 0.896,57 4.188,58 4.188,59 18.626,60 250,62 4.703,63 55.29,64 3,65 4.015,66 7.111,67 7.111,68 5.502,70 7.252}
{0 CHEMBL20988,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.273,15 1,16 18.004,17 2,18 10.707,19 10.707,20 10.707,21 5,22 12.951,23 4,24 1.313,25 10.794,26 16.219,27 2,28 2.5,29 14.45,30 1,31 1,32 1,33 12.701,34 7.714,35 10.152,36 66.595,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.307,43 4.65,44 4.496,45 8.881,46 3.371,48 31.045,49 6.322,50 1.5,51 1,52 21.97,53 0.185,54 9.499,55 9.499,56 0.722,57 4.146,58 4.146,59 17.667,60 280,61 1,62 4.679,63 52.092,65 3.958,66 6.636,67 6.636,68 5.512,69 42.683,70 9.523}
{0 CHEMBL209899,13 2,14 13.208,15 1,16 18.76,17 1,18 11.963,19 11.963,20 11.963,21 4,22 13.336,24 1.5,25 11.251,26 16.866,28 2.5,29 14.988,33 13.133,34 8.293,35 10.747,36 64.68,37 6.18,38 241,39 62,40 4.143,41 4.828,42 7.339,43 4.354,44 4.277,45 9.497,46 3.199,48 19.443,49 7.052,50 1.544,52 15.464,53 0.19,54 11.446,55 11.446,56 0.831,57 4.277,58 4.277,59 19.27,60 238,62 4.313,63 44.972,65 3.863,66 7.183,67 7.183,68 5.179,69 18.011,70 7.143}
{0 CHEMBL210327,13 2,14 49.869,15 1,16 18.505,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.409,24 1.5,25 11.07,26 16.648,28 2.5,29 14.809,33 12.992,34 8.082,35 10.517,36 68.241,37 6.176,38 240,39 61,40 4.127,41 4.812,42 7.319,43 4.539,44 4.387,45 9.276,46 3.397,48 25.086,49 6.618,50 1.597,51 6,52 19.453,53 0.19,54 10.481,55 10.481,56 1.087,57 4.254,58 4.254,59 18.854,60 264,62 4.561,63 50.086,64 4,65 3.908,66 7.111,67 7.111,68 5.375,69 18.011,70 6.137}
{0 CHEMBL2105686,12 1,13 1,14 26.816,16 18.222,18 10.398,19 10.398,20 10.398,21 6,22 13.36,24 1.794,25 10.985,26 16.433,28 2.769,29 14.658,33 12.901,34 7.901,35 10.315,36 82.633,37 6.365,38 290,39 72,40 4.29,41 4.977,42 7.455,43 4.776,44 4.637,45 9.051,46 3.536,47 1,48 32.428,49 6.218,50 1.848,52 23.308,53 0.166,54 9.301,55 9.301,56 1.085,57 4.085,58 4.085,59 17.343,60 466,62 4.817,63 66.762,64 1,65 4.175,66 6.551,67 6.551,68 5.555,69 18.011,70 8.509}
{0 CHEMBL21058,1 4,2 1,3 2,4 2,5 1,6 4,7 2,8 2,9 1,11 2,13 5,14 24.976,15 1,16 18.602,17 2,18 12.405,19 12.405,20 12.405,21 5,22 13.225,23 7,24 1.5,25 11.171,26 16.72,27 1,28 2.5,29 14.858,30 1,31 4,32 2,33 13.02,34 8.16,35 10.597,36 64.215,37 6.172,38 239,39 60,40 4.111,41 4.796,42 7.306,43 4.6,44 4.44,45 9.341,46 3.435,48 29.098,49 6.636,50 1.671,51 1,52 21.715,53 0.189,54 10.708,55 10.708,56 0.857,57 4.374,58 4.374,59 19.564,60 212,61 1,62 4.627,63 50.677,65 3.933,66 7.293,67 7.293,68 5.45,69 79.815,70 6}
{0 CHEMBL21106,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.135,15 2,16 18.619,17 2,18 12.407,19 12.407,20 12.407,21 5,22 13.155,23 4,24 1.5,25 11.194,26 16.741,27 1,28 2.5,29 14.883,30 1,31 1,32 1,33 13.051,34 8.191,35 10.62,36 65.886,37 6.201,38 246,39 62,40 4.143,41 4.828,42 7.339,43 4.569,44 4.436,45 9.371,46 3.353,48 28.063,49 6.636,50 1.673,51 3,52 20.266,53 0.188,54 10.708,55 10.708,56 0.865,57 4.282,58 4.282,59 19.573,60 237,61 1,62 4.595,63 48.898,65 3.922,66 7.293,67 7.293,68 5.438,69 42.683,70 10.222}
{0 CHEMBL2110727,12 1,13 1,14 26.816,16 18.222,18 10.398,19 10.398,20 10.398,21 6,22 13.36,24 1.794,25 10.985,26 16.433,28 2.769,29 14.658,33 12.901,34 7.901,35 10.315,36 82.633,37 6.365,38 290,39 72,40 4.29,41 4.977,42 7.455,43 4.776,44 4.637,45 9.051,46 3.536,47 1,48 32.428,49 6.218,50 1.848,52 23.308,53 0.166,54 9.301,55 9.301,56 1.085,57 4.085,58 4.085,59 17.343,60 466,62 4.817,63 66.762,64 1,65 4.175,66 6.551,67 6.551,68 5.555,69 18.011,70 8.523}
{0 CHEMBL21117,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.248,15 2,16 18.613,17 2,18 12.407,19 12.407,20 12.407,21 5,22 13.146,23 4,24 1.5,25 11.193,26 16.735,27 2,28 2.5,29 14.877,30 1,31 1,32 1,33 13.046,34 8.16,35 10.612,36 66.667,37 6.217,38 250,39 63,40 4.159,41 4.844,42 7.386,43 4.627,44 4.485,45 9.348,46 3.361,48 30.304,49 6.636,50 1.674,51 3,52 21.684,53 0.185,54 10.707,55 10.707,56 0.857,57 4.282,58 4.282,59 19.573,60 250,61 1,62 4.655,63 50.66,65 3.952,66 7.293,67 7.293,68 5.508,69 42.683,70 9.523}
{0 CHEMBL2111747,13 1,14 13.248,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.504,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.259,44 4.085,45 9.353,46 3.101,48 21.072,49 6.784,50 1.258,51 4,52 15.47,53 0.203,54 10.975,55 10.975,56 1.102,57 4.41,58 4.41,59 20.555,60 160,62 4.44,63 46.222,64 1,65 3.808,66 7.472,67 7.472,68 5.14,70 7.959}
{0 CHEMBL211175,13 2,14 60.466,15 3,16 18.922,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.822,24 1.5,25 11.418,26 17.034,28 2.5,29 15.16,33 13.305,34 8.446,35 10.888,36 76.938,37 6.293,38 270,39 69,40 4.248,41 4.934,42 7.458,43 4.65,44 4.522,45 9.65,46 3.555,48 28.449,49 7.111,50 2.03,51 4,52 23.325,53 0.184,54 11.657,55 11.657,56 0.693,57 4.19,58 4.19,59 18.639,60 262,62 4.651,63 53.858,64 3,65 4.009,66 7.111,67 7.111,68 5.503,70 7.602}
{0 CHEMBL2112552,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.215,15 1,16 18.274,17 2,18 10.708,19 10.708,20 10.708,21 6,22 13.145,23 4,24 1.683,25 11.025,26 16.468,27 1,28 2.644,29 14.677,30 1,31 1,32 1,33 12.905,34 7.949,35 10.385,36 68.876,37 6.248,38 258,39 64,40 4.174,41 4.86,42 7.365,43 4.621,44 4.485,45 9.136,46 3.504,47 1,48 28.463,49 6.501,50 1.82,51 1,52 20.788,53 0.181,54 10.171,55 10.171,56 0.794,57 4.148,58 4.148,59 17.67,60 237,61 1,62 4.638,63 51.432,65 3.963,66 6.636,67 6.636,68 5.442,69 59.469,70 9.155}
{0 CHEMBL2112553,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.367,15 1,16 18.29,17 2,18 10.707,19 10.707,20 10.707,21 6,22 13.149,23 4,24 1.689,25 11.051,26 16.482,27 2,28 2.646,29 14.69,30 1,31 1,32 1,33 12.918,34 7.936,35 10.393,36 70.522,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.426,43 4.783,44 4.621,45 9.122,46 3.527,48 34.945,49 6.549,50 1.825,51 1,52 25.407,53 0.177,54 10.394,55 10.394,56 0.813,57 4.146,58 4.146,59 17.669,60 250,61 1,62 4.813,63 56.501,65 4.044,66 6.636,67 6.636,68 5.619,69 42.683,70 9.119}
{0 CHEMBL2112554,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.532,16 18.296,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.03,23 4,24 1.5,25 11.016,26 16.469,27 2,28 2.5,29 14.657,30 2,31 1,32 1,33 12.866,34 7.886,35 10.33,36 66.736,37 6.213,38 249,39 61,40 4.127,41 4.812,42 7.321,43 4.705,44 4.533,45 9.046,46 3.463,48 32.596,49 6.482,50 1.5,51 1,52 23.386,53 0.181,54 10.094,55 10.094,56 0.96,57 4.179,58 4.179,59 18.136,60 228,61 1,62 4.698,63 53.04,65 3.981,66 6.774,67 6.774,68 5.528,69 42.683,70 8.959}
{0 CHEMBL2112555,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.133,15 1,16 18.334,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.132,23 2,24 1.616,25 11.054,26 16.51,27 1,28 2.606,29 14.703,30 1,31 1,32 1,33 12.916,34 7.947,35 10.38,36 66.705,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.332,43 4.719,44 4.562,45 9.122,46 3.457,48 32.242,49 6.549,50 1.757,51 1,52 23.443,53 0.185,54 10.394,55 10.394,56 0.815,57 4.167,58 4.167,59 17.904,60 226,61 1,62 4.726,63 53.739,65 3.98,66 6.728,67 6.728,68 5.555,69 42.683,70 9}
{0 CHEMBL2112556,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.357,15 1,16 18.29,17 2,18 10.707,19 10.707,20 10.707,21 6,22 13.149,23 4,24 1.689,25 11.051,26 16.482,27 2,28 2.646,29 14.69,30 1,31 1,32 1,33 12.918,34 7.936,35 10.393,36 70.522,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.426,43 4.759,44 4.61,45 9.122,46 3.517,48 34.342,49 6.549,50 1.825,51 1,52 24.22,53 0.177,54 10.394,55 10.394,56 0.973,57 4.147,58 4.147,59 17.669,60 250,61 1,62 4.792,63 55.307,64 1,65 4.027,66 6.636,67 6.636,68 5.622,69 42.683,70 9.051}
{0 CHEMBL2112557,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.327,15 1,16 18.266,17 2,18 10.707,19 10.707,20 10.707,21 6,22 13.136,23 4,24 1.684,25 11.024,26 16.46,27 2,28 2.644,29 14.67,30 1,31 1,32 1,33 12.9,34 7.91,35 10.374,36 69.692,37 6.263,38 262,39 65,40 4.19,41 4.875,42 7.41,43 4.675,44 4.532,45 9.107,46 3.507,47 1,48 30.8,49 6.501,50 1.82,51 1,52 22.301,53 0.179,54 10.171,55 10.171,56 0.786,57 4.146,58 4.146,59 17.669,60 250,61 1,62 4.696,63 53.194,65 3.992,66 6.636,67 6.636,68 5.511,69 59.469,70 9.222}
{0 CHEMBL2112558,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.363,15 1,16 18.29,17 2,18 10.707,19 10.707,20 10.707,21 6,22 13.149,23 4,24 1.689,25 11.051,26 16.482,27 2,28 2.646,29 14.69,30 1,31 1,32 1,33 12.918,34 7.936,35 10.393,36 70.522,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.426,43 4.767,44 4.615,45 9.122,46 3.533,47 1,48 34.595,49 6.549,50 1.825,51 1,52 24.183,53 0.177,54 10.394,55 10.394,56 0.841,57 4.147,58 4.147,59 17.669,60 250,61 1,62 4.807,63 55.859,65 4.032,66 6.636,67 6.636,68 5.627,69 59.469,70 9.244}
{0 CHEMBL2112559,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.316,16 18.123,17 2,18 10.689,19 10.689,20 10.689,21 6,22 12.986,23 4,24 1.5,25 10.896,26 16.325,27 2,28 2.5,29 14.542,30 2,31 1,32 1,33 12.778,34 7.784,35 10.247,36 65.821,37 6.205,38 247,39 61,40 4.127,41 4.812,42 7.344,43 4.647,44 4.485,45 8.967,46 3.507,47 1,48 30.708,49 6.318,50 1.5,51 1,52 21.236,53 0.181,54 9.478,55 9.478,56 0.924,57 4.141,58 4.141,59 17.625,60 237,61 1,62 4.672,63 52.398,65 3.969,66 6.632,67 6.632,68 5.486,69 59.469,70 9.42}
{0 CHEMBL2112560,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.204,16 18.132,17 2,18 10.69,19 10.69,20 10.69,21 6,22 12.997,23 4,24 1.5,25 10.898,26 16.334,27 1,28 2.5,29 14.55,30 2,31 1,32 1,33 12.785,34 7.828,35 10.259,36 64.947,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.295,43 4.59,44 4.435,45 9,46 3.504,47 1,48 28.474,49 6.319,50 1.5,51 1,52 19.765,53 0.183,54 9.487,55 9.487,56 0.933,57 4.142,58 4.142,59 17.627,60 224,61 1,62 4.613,63 50.637,65 3.94,66 6.633,67 6.633,68 5.415,69 59.469,70 9.137}
{0 CHEMBL2112951,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.313,15 1,16 18.389,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.206,23 3,24 1.749,25 11.12,26 16.569,27 1,28 2.671,29 14.765,30 1,31 1,32 1,33 12.982,34 8.019,35 10.441,36 70.575,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.397,43 4.795,44 4.65,45 9.187,46 3.478,47 1,48 34.782,49 6.549,50 1.778,51 1,52 23.789,53 0.18,54 10.394,55 10.394,56 0.824,57 4.173,58 4.173,59 17.99,60 262,61 1,62 4.808,63 57.626,65 4.037,66 6.747,67 6.747,68 5.661,69 75.581,70 8.569}
{0 CHEMBL2112952,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.585,15 1,16 18.38,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.161,23 4,24 1.682,25 11.115,26 16.556,27 2,28 2.644,29 14.747,30 1,31 1,32 1,33 12.961,34 7.989,35 10.432,36 72.375,37 6.301,38 272,39 67,40 4.22,41 4.905,42 7.413,43 4.805,44 4.659,45 9.155,46 3.509,47 1,48 35.701,49 6.549,50 1.808,51 1,52 24.468,53 0.175,54 10.394,55 10.394,56 0.81,57 4.182,58 4.182,59 18.151,60 263,61 1,62 4.829,63 56.864,65 4.044,66 6.774,67 6.774,68 5.681,69 42.683,70 8.409}
{0 CHEMBL2113084,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.316,15 1,16 18.443,17 2,18 11.251,19 11.251,20 11.251,21 7,22 13.281,23 4,24 1.591,25 11.161,26 16.615,27 2,28 2.569,29 14.801,30 1,31 1,32 1,33 13.007,34 8.034,35 10.49,36 67.426,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.412,43 4.615,44 4.458,45 9.228,46 3.343,47 1,48 31.052,49 6.636,50 1.703,51 1,52 21.378,53 0.184,54 10.707,55 10.707,56 0.77,57 4.186,58 4.186,59 18.605,60 177,61 1,62 4.671,63 50.58,64 1,65 3.941,66 6.812,67 6.812,68 5.539,69 42.683,70 8.155}
{0 CHEMBL2113086,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.279,15 1,16 18.326,17 2,18 10.887,19 10.887,20 10.887,21 7,22 13.152,23 4,24 1.472,25 11.05,26 16.5,27 2,28 2.481,29 14.69,30 1,31 1,32 1,33 12.899,34 7.923,35 10.383,36 63.919,37 6.192,38 244,39 60,40 4.111,41 4.796,42 7.345,43 4.512,44 4.373,45 9.11,46 3.319,47 1,48 26.983,49 6.636,50 1.686,51 1,52 18.964,53 0.186,54 10.707,55 10.707,56 0.782,57 4.147,58 4.147,59 18.015,60 184,61 1,62 4.58,63 47.813,64 1,65 3.894,66 6.706,67 6.706,68 5.401,69 42.683,70 9.377}
{0 CHEMBL2113088,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.275,15 1,16 18.326,17 2,18 10.887,19 10.887,20 10.887,21 7,22 13.152,23 4,24 1.472,25 11.05,26 16.5,27 2,28 2.481,29 14.69,30 1,31 1,32 1,33 12.899,34 7.923,35 10.383,36 63.919,37 6.192,38 244,39 60,40 4.111,41 4.796,42 7.345,43 4.488,44 4.357,45 9.11,46 3.311,47 1,48 25.887,49 6.636,50 1.686,51 1,52 18.093,53 0.186,54 10.707,55 10.707,56 0.743,57 4.147,58 4.147,59 18.015,60 184,61 1,62 4.557,63 47.057,64 1,65 3.878,66 6.706,67 6.706,68 5.38,69 42.683,70 9}
{0 CHEMBL2113131,13 2,14 48.976,15 1,16 18.664,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.577,24 1.768,25 11.261,26 16.807,28 2.688,29 14.967,33 13.147,34 8.324,35 10.739,36 77.305,37 6.297,38 271,39 70,40 4.263,41 4.949,42 7.449,43 4.737,44 4.57,45 9.506,46 3.559,48 34.139,49 6.509,50 2.032,51 4,52 24.404,53 0.179,54 10.224,55 10.224,56 0.753,57 4.18,58 4.18,59 18.545,60 288,62 4.76,63 59.626,64 3,65 4.072,66 7.111,67 7.111,68 5.612,69 18.011,70 7.051}
{0 CHEMBL2114183,13 2,14 61.283,16 18.792,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.512,24 1.5,25 11.24,26 16.868,28 2.5,29 14.969,33 13.101,34 8.191,35 10.647,36 72.233,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.363,43 4.769,44 4.607,45 9.365,46 3.453,48 33.723,49 6.447,50 1.622,51 4,52 24.53,53 0.18,54 9.928,55 9.928,56 1.395,57 4.421,58 4.421,59 21.324,60 288,62 4.758,63 55.864,64 7,65 4.005,66 7.641,67 7.641,68 5.59,70 8.824}
{0 CHEMBL2114184,13 2,14 39.347,16 18.729,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.378,24 1.5,25 11.164,26 16.794,28 2.5,29 14.885,33 13.007,34 8.1,35 10.571,36 66.372,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.28,43 4.737,44 4.568,45 9.275,46 3.458,48 32.374,49 6.447,50 1.614,51 4,52 23.839,53 0.185,54 9.928,55 9.928,56 1.629,57 4.421,58 4.421,59 21.324,60 242,62 4.718,63 53.949,64 6,65 3.966,66 7.641,67 7.641,68 5.538,70 8.699}
{0 CHEMBL2114185,13 2,14 37.983,16 18.703,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.281,24 1.237,25 11.116,26 16.759,28 2.299,29 14.838,33 12.947,34 8.05,35 10.531,36 55.425,37 5.999,38 201,39 50,40 3.932,41 4.615,42 7.125,43 4.388,44 4.226,45 9.243,46 3.324,48 22.276,49 6.455,50 1.299,51 4,52 16.778,53 0.204,54 9.952,55 9.952,56 1.296,57 4.421,58 4.421,59 21.324,60 144,62 4.386,63 42.904,64 6,65 3.754,66 7.641,67 7.641,68 5.183,70 6}
{0 CHEMBL21147,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.266,15 1,16 18.517,17 2,18 11.657,19 11.657,20 11.657,21 5,22 13.132,23 4,24 1.5,25 11.124,26 16.66,27 2,28 2.5,29 14.822,30 1,31 1,32 1,33 13.007,34 8.107,35 10.566,36 67.438,37 6.229,38 253,39 64,40 4.174,41 4.86,42 7.394,43 4.656,44 4.516,45 9.309,46 3.373,48 31.029,49 6.636,50 1.679,51 1,52 22.455,53 0.183,54 10.707,55 10.707,56 0.694,57 4.171,58 4.171,59 18.617,60 256,61 1,62 4.684,63 52.421,65 3.981,66 7.111,67 7.111,68 5.548,69 42.683,70 9.699}
{0 CHEMBL21167,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 25.016,15 1,16 18.172,17 2,18 11.107,19 11.107,20 11.107,21 5,22 12.923,23 4,24 1.5,25 10.898,26 16.355,27 2,28 2.5,29 14.555,30 2,31 1,32 1,33 12.778,34 7.794,35 10.223,36 65.826,37 6.168,38 238,39 59,40 4.094,41 4.779,42 7.279,43 4.692,44 4.527,45 8.947,46 3.345,48 32.553,49 6.482,50 1.5,51 1,52 22.717,53 0.185,54 10.094,55 10.094,56 0.8,57 4.178,58 4.178,59 18.136,60 253,61 1,62 4.702,63 52.302,65 3.963,66 6.774,67 6.774,68 5.549,69 42.683,70 8.796}
{0 CHEMBL211775,13 1,14 12.834,16 18.647,17 1,18 11.963,19 11.963,20 11.963,21 3,22 13.132,24 0.927,25 11.099,26 16.737,28 2,29 14.842,33 12.968,34 8.148,35 10.617,36 51.266,37 5.958,38 193,39 50,40 3.932,41 4.615,42 7.109,43 4.113,44 4.051,45 9.37,46 3.179,48 13.478,49 7.052,50 1,52 11.48,53 0.212,54 11.446,55 11.446,56 0.913,57 4.277,58 4.277,59 19.27,60 156,61 2,62 4.04,63 37.404,65 3.657,66 7.183,67 7.183,68 4.879,69 36.022,70 6}
{0 CHEMBL211866,13 2,14 60.513,16 18.814,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.709,24 1.5,25 11.299,26 16.918,28 2.5,29 15.037,33 13.176,34 8.337,35 10.78,36 70.436,37 6.205,38 247,39 63,40 4.159,41 4.844,42 7.359,43 4.657,44 4.476,45 9.53,46 3.55,48 30.477,49 7.111,50 1.5,51 4,52 23.066,53 0.188,54 11.657,55 11.657,56 0.895,57 4.187,58 4.187,59 18.612,60 226,62 4.658,63 54.046,64 3,65 3.988,66 7.111,67 7.111,68 5.468,70 9.119}
{0 CHEMBL211903,13 2,14 60.475,15 2,16 18.933,17 1,18 11.663,19 11.663,20 11.663,21 4,22 13.796,24 1.5,25 11.425,26 17.035,28 2.5,29 15.151,33 13.288,34 8.441,35 10.879,36 74.681,37 6.267,38 263,39 67,40 4.22,41 4.905,42 7.428,43 4.651,44 4.512,45 9.633,46 3.552,48 28.646,49 7.111,50 2.012,51 4,52 23.379,53 0.185,54 11.657,55 11.657,56 0.918,57 4.204,58 4.204,59 18.847,60 250,62 4.653,63 53.921,64 3,65 4.002,66 7.112,67 7.112,68 5.497,70 6.252}
{0 CHEMBL212017,13 3,14 12.69,16 18.017,17 1,18 11.059,19 11.059,20 11.059,21 5,22 12.947,24 1.453,25 10.752,26 16.205,28 2.475,29 14.41,33 12.636,34 7.639,35 10.099,36 58.12,37 6.066,38 215,39 53,40 3.989,41 4.673,42 7.209,43 4.495,44 4.304,45 8.811,46 3.342,47 1,48 26.84,49 6.212,50 1.5,51 6,52 18.31,53 0.193,54 9.281,55 9.281,56 1.344,57 4.095,58 4.095,59 17.875,60 165,62 4.525,63 46.665,64 2,65 3.841,66 6.768,67 6.768,68 5.352,69 18.011,70 6.602}
{0 CHEMBL212087,13 3,14 12.559,16 17.918,17 1,18 10.834,19 10.834,20 10.834,21 4,22 12.772,24 0.579,25 10.618,26 16.1,28 1.614,29 14.297,33 12.515,34 7.519,35 9.975,36 47.855,37 5.878,38 178,39 44,40 3.807,41 4.489,42 7.033,43 4.172,44 3.993,45 8.708,46 2.991,47 1,48 18.904,49 6.212,50 1,51 6,52 12.667,53 0.215,54 9.281,55 9.281,56 1.314,57 4.062,58 4.062,59 17.559,60 104,62 4.208,63 39.143,64 2,65 3.651,66 6.726,67 6.726,68 5.033,69 18.011,70 7.301}
{0 CHEMBL212243,13 2,14 60.478,15 2,16 18.886,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.783,24 1.5,25 11.383,26 16.993,28 2.5,29 15.115,33 13.258,34 8.412,35 10.85,36 74.611,37 6.263,38 262,39 67,40 4.22,41 4.905,42 7.425,43 4.652,44 4.509,45 9.607,46 3.552,48 28.959,49 7.111,50 1.964,51 4,52 23.303,53 0.185,54 11.657,55 11.657,56 0.888,57 4.192,58 4.192,59 18.779,60 250,62 4.653,63 53.921,64 3,65 4.002,66 7.111,67 7.111,68 5.493,70 7.495}
{0 CHEMBL212408,13 2,14 60.731,16 18.838,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.747,24 1.5,25 11.336,26 16.946,28 2.5,29 15.07,33 13.216,34 8.375,35 10.811,36 73.613,37 6.252,38 259,39 66,40 4.205,41 4.89,42 7.407,43 4.737,44 4.565,45 9.565,46 3.554,48 32.843,49 7.111,50 1.778,51 4,52 24.777,53 0.184,54 11.657,55 11.657,56 0.857,57 4.188,58 4.188,59 18.626,60 250,62 4.724,63 56.262,64 3,65 4.024,66 7.111,67 7.111,68 5.559,70 7.602}
{0 CHEMBL212437,13 3,14 12.637,16 17.715,17 1,18 9.285,19 9.285,20 9.285,21 5,22 12.804,24 1.389,25 10.526,26 15.95,28 2.421,29 14.199,33 12.465,34 7.445,35 9.905,36 56.101,37 6.023,38 206,39 51,40 3.951,41 4.635,42 7.162,43 4.396,44 4.219,45 8.616,46 3.344,47 1,48 23.856,49 6.189,50 1.5,51 6,52 16.252,53 0.194,54 9.254,55 9.254,56 1.381,57 3.926,58 3.926,59 15.683,60 178,62 4.391,63 44.904,64 2,65 3.807,66 6.212,67 6.212,68 5.25,69 18.011,70 8.301}
{0 CHEMBL212689,13 2,14 60.48,15 2,16 18.846,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.771,24 1.5,25 11.352,26 16.957,28 2.5,29 15.083,33 13.231,34 8.388,35 10.827,36 74.4,37 6.26,38 261,39 67,40 4.22,41 4.905,42 7.421,43 4.653,44 4.506,45 9.585,46 3.553,48 29.273,49 7.111,50 2.029,51 4,52 23.227,53 0.185,54 11.657,55 11.657,56 0.701,57 4.188,58 4.188,59 18.635,60 250,62 4.653,63 53.921,64 3,65 4.002,66 7.111,67 7.111,68 5.489,70 9.495}
{0 CHEMBL212731,13 2,14 60.497,15 1,16 18.829,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.74,24 1.5,25 11.324,26 16.937,28 2.5,29 15.06,33 13.204,34 8.363,35 10.802,36 72.424,37 6.232,38 254,39 65,40 4.19,41 4.875,42 7.391,43 4.655,44 4.491,45 9.557,46 3.552,48 29.891,49 7.111,50 1.757,51 4,52 23.147,53 0.187,54 11.657,55 11.657,56 0.822,57 4.188,58 4.188,59 18.624,60 238,62 4.655,63 53.983,64 3,65 3.995,66 7.111,67 7.111,68 5.478,70 9.658}
{0 CHEMBL213009,13 3,14 12.515,16 17.598,17 1,18 9.282,19 9.282,20 9.282,21 4,22 12.602,24 0.567,25 10.379,26 15.826,28 1.6,29 14.066,33 12.324,34 7.31,35 9.763,36 46.104,37 5.826,38 169,39 42,40 3.761,41 4.443,42 6.976,43 4.131,44 3.953,45 8.494,46 3.013,48 18.818,49 6.177,50 1,51 2,52 12.514,53 0.217,54 9.193,55 9.193,56 1.236,57 3.926,58 3.926,59 15.681,60 120,62 4.19,63 36.83,64 2,65 3.607,66 6.212,67 6.212,68 5.059,69 18.011,70 7.155}
{0 CHEMBL213541,13 3,14 12.63,16 17.715,17 1,18 9.285,19 9.285,20 9.285,21 5,22 12.804,24 1.389,25 10.526,26 15.95,28 2.421,29 14.199,33 12.465,34 7.445,35 9.905,36 56.092,37 6.023,38 206,39 51,40 3.951,41 4.635,42 7.162,43 4.377,44 4.208,45 8.616,46 3.335,48 23.045,49 6.189,50 1.5,51 2,52 15.873,53 0.194,54 9.254,55 9.254,56 1.326,57 3.928,58 3.928,59 15.683,60 178,62 4.37,63 44.353,64 2,65 3.805,66 6.212,67 6.212,68 5.223,69 18.011,70 7.699}
{0 CHEMBL213914,12 1,13 5,14 12.839,16 19.346,17 1,18 16.229,19 16.229,20 16.229,21 9,22 13.538,24 1.5,25 11.808,26 17.346,28 2.5,29 15.372,33 13.429,34 8.625,35 11.209,36 63.935,37 6.248,38 258,39 62,40 4.143,41 4.828,42 7.426,43 4.579,44 4.406,45 9.865,46 3.348,47 1,48 28.396,49 6.859,50 1.563,51 2,52 19.612,53 0.188,54 11.346,55 11.346,56 1.368,57 4.84,58 4.84,59 24.983,60 148,62 4.615,63 46.66,64 1,65 3.886,66 8.186,67 8.186,68 5.402,69 18.011,70 8.222}
{0 CHEMBL214818,12 1,13 5,14 12.781,16 18.38,17 1,18 11.657,19 11.657,20 11.657,21 8,22 13.156,24 1.5,25 11.073,26 16.537,28 2.5,29 14.708,33 12.899,34 7.923,35 10.409,36 59.581,37 6.133,38 230,39 56,40 4.043,41 4.727,42 7.29,43 4.497,44 4.315,45 9.125,46 3.327,47 1,48 27.02,49 6.542,50 1.553,51 6,52 18.61,53 0.192,54 10.34,55 10.34,56 1.283,57 4.233,58 4.233,59 18.871,60 140,62 4.558,63 45.66,64 1,65 3.844,66 6.923,67 6.923,68 5.349,69 18.011,70 8.699}
{0 CHEMBL2164201,13 3,14 26.28,16 18.121,17 1,18 10.66,19 10.66,20 10.66,21 4,22 13.047,24 1.04,25 10.833,26 16.311,28 2.423,29 14.517,33 12.744,34 7.745,35 10.161,36 66.476,37 6.129,38 229,39 57,40 4.06,41 4.745,42 7.235,43 4.616,44 4.433,45 8.912,46 3.266,48 29.906,49 6.476,50 1.413,51 6,52 21.559,53 0.19,54 10.068,55 10.068,56 0.924,57 4.111,58 4.111,59 17.494,60 227,62 4.635,63 51.745,64 1,65 3.918,66 6.691,67 6.691,68 5.479,69 18.011,70 9.097}
{0 CHEMBL2164202,13 2,14 37.916,16 18.2,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.063,24 1.146,25 10.89,26 16.386,28 2.165,29 14.586,33 12.806,34 7.806,35 10.229,36 63.762,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.233,43 4.48,44 4.339,45 9,46 3.231,48 24.445,49 6.482,50 1.411,51 6,52 18.441,53 0.193,54 10.09,55 10.09,56 0.996,57 4.1,58 4.1,59 17.478,60 200,62 4.527,63 48.534,64 4,65 3.857,66 6.688,67 6.688,68 5.345,69 18.011,70 10}
{0 CHEMBL2164203,13 2,14 25.14,16 18.045,17 1,18 10.644,19 10.644,20 10.644,21 3,22 12.913,24 0.927,25 10.727,26 16.226,28 2,29 14.422,33 12.639,34 7.647,35 10.054,36 53.796,37 5.953,38 192,39 48,40 3.892,41 4.575,42 7.064,43 4.169,44 3.982,45 8.823,46 3.147,48 19.484,49 6.466,50 0.999,51 6,52 14.301,53 0.211,54 10.017,55 10.017,56 1.108,57 4.1,58 4.1,59 17.478,60 150,62 4.312,63 43.864,64 1,65 3.733,66 6.688,67 6.688,68 5.083,69 36.022,70 9.523}
{0 CHEMBL2164204,13 2,14 25.536,16 18.132,17 1,18 10.644,19 10.644,20 10.644,21 3,22 12.961,24 0.927,25 10.795,26 16.309,28 2,29 14.501,33 12.712,34 7.714,35 10.127,36 55.817,37 5.989,38 199,39 50,40 3.932,41 4.615,42 7.106,43 4.275,44 4.063,45 8.903,46 3.159,48 22.66,49 6.578,50 1,51 6,52 16.687,53 0.209,54 10.318,55 10.318,56 1.241,57 4.1,58 4.1,59 17.596,60 160,62 4.435,63 45.625,64 3,65 3.765,66 6.688,67 6.688,68 5.228,69 18.011,70 7.315}
{0 CHEMBL2164205,11 1,13 2,14 24.869,16 18.045,17 1,18 10.644,19 10.644,20 10.644,21 3,22 12.913,24 0.927,25 10.727,26 16.226,28 2,29 14.422,33 12.639,34 7.647,35 10.054,36 55.837,37 5.953,38 192,39 48,40 3.892,41 4.575,42 7.064,43 4.089,44 3.93,45 8.823,46 3.126,48 17.156,49 6.466,50 0.999,51 6,52 12.561,53 0.211,54 10.017,55 10.017,56 0.877,57 4.1,58 4.1,59 17.478,60 150,61 2,62 4.21,63 42.557,64 1,65 3.714,66 6.688,67 6.688,68 4.977,69 75.289,70 9.523}
{0 CHEMBL2164206,13 2,14 25.261,16 18.047,17 1,18 10.644,19 10.644,20 10.644,21 3,22 12.917,24 0.927,25 10.734,26 16.229,28 2,29 14.426,33 12.643,34 7.647,35 10.06,36 56.44,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.081,43 4.241,44 4.064,45 8.825,46 3.136,48 20.314,49 6.468,50 1,51 6,52 14.727,53 0.208,54 10.033,55 10.033,56 0.865,57 4.1,58 4.1,59 17.478,60 160,62 4.325,63 44.319,64 1,65 3.745,66 6.688,67 6.688,68 5.121,69 38.636,70 9.523}
{0 CHEMBL2164207,13 2,14 25.167,16 18.047,17 1,18 10.644,19 10.644,20 10.644,21 3,22 12.917,24 0.927,25 10.734,26 16.229,28 2,29 14.426,33 12.643,34 7.647,35 10.06,36 56.623,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.081,43 4.218,44 4.047,45 8.825,46 3.131,48 19.381,49 6.468,50 1,51 6,52 14.566,53 0.208,54 10.033,55 10.033,56 0.778,57 4.076,58 4.076,59 17.478,60 160,62 4.303,63 43.415,64 1,65 3.729,66 6.688,67 6.688,68 5.077,69 38.636,70 10.097}
{0 CHEMBL2164208,13 3,14 37.937,16 18.184,17 1,18 10.704,19 10.704,20 10.704,21 3,22 13.057,24 1.153,25 10.871,26 16.368,28 2.177,29 14.567,33 12.785,34 7.791,35 10.197,36 64.739,37 6.103,38 223,39 56,40 4.043,41 4.727,42 7.212,43 4.462,44 4.282,45 8.969,46 3.25,48 25.603,49 6.468,50 1.484,51 6,52 17.702,53 0.196,54 10.033,55 10.033,56 0.93,57 4.133,58 4.133,59 17.539,60 214,61 1,62 4.538,63 51.205,64 1,65 3.882,66 6.701,67 6.701,68 5.361,69 56.647,70 9.398}
{0 CHEMBL2164209,13 2,14 37.119,16 18.226,17 1,18 11.121,19 11.121,20 11.121,21 3,22 13.103,24 0.927,25 10.87,26 16.394,28 2.041,29 14.576,33 12.776,34 7.771,35 10.197,36 59.384,37 6.019,38 205,39 51,40 3.951,41 4.635,42 7.132,43 4.23,44 4.066,45 8.965,46 3.159,48 19.488,49 6.468,50 1,51 6,52 14.675,53 0.206,54 10.033,55 10.033,56 0.758,57 4.152,58 4.152,59 18.628,60 154,62 4.314,63 43.87,64 1,65 3.741,66 6.835,67 6.835,68 5.1,69 38.636,70 9.398}
{0 CHEMBL2164210,13 2,14 25.224,16 18.066,17 1,18 10.66,19 10.66,20 10.66,21 3,22 12.993,24 1,25 10.756,26 16.249,28 2.118,29 14.446,33 12.664,34 7.673,35 10.078,36 60.066,37 5.999,38 201,39 50,40 3.932,41 4.615,42 7.102,43 4.225,44 4.061,45 8.842,46 3.191,48 19.384,49 6.468,50 1.009,51 6,52 14.267,53 0.205,54 10.033,55 10.033,56 0.837,57 4.087,58 4.087,59 17.494,60 183,62 4.308,63 43.801,64 1,65 3.744,66 6.691,67 6.691,68 5.086,69 38.636,70 10}
{0 CHEMBL2164211,13 2,14 25.634,16 18.05,17 1,18 10.644,19 10.644,20 10.644,21 3,22 12.925,24 1,25 10.74,26 16.232,28 2.118,29 14.432,33 12.652,34 7.647,35 10.069,36 60.753,37 6.033,38 208,39 52,40 3.97,41 4.654,42 7.13,43 4.396,44 4.246,45 8.825,46 3.206,48 22.781,49 6.468,50 1.107,51 6,52 16.481,53 0.199,54 10.033,55 10.033,56 0.805,57 4.1,58 4.1,59 17.478,60 211,62 4.421,63 48.296,64 1,65 3.824,66 6.688,67 6.688,68 5.277,69 38.636,70 9.523}
{0 CHEMBL2164212,6 2,7 1,8 1,9 1,11 1,13 2,14 37.281,16 18.215,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.194,23 1,24 1.533,25 10.913,26 16.41,28 2.541,29 14.619,31 2,33 12.848,34 7.851,35 10.255,36 69.527,37 6.205,38 247,39 62,40 4.143,41 4.828,42 7.318,43 4.575,44 4.423,45 9.023,46 3.303,48 26.677,49 6.469,50 1.72,51 6,52 19.927,53 0.185,54 10.035,55 10.035,56 1.036,57 4.1,58 4.1,59 17.478,60 252,62 4.572,63 53.296,64 1,65 3.956,66 6.688,67 6.688,68 5.376,69 78.705,70 9.301}
{0 CHEMBL2164213,13 2,14 12.65,16 18.091,17 1,18 10.573,19 10.573,20 10.573,21 4,22 12.995,24 1.039,25 10.787,26 16.275,28 2.118,29 14.474,33 12.694,34 7.706,35 10.109,36 58.581,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.168,43 4.36,44 4.199,45 8.858,46 3.135,48 22.078,49 6.52,50 1.5,51 6,52 16.313,53 0.196,54 10.274,55 10.274,56 0.814,57 4.071,58 4.071,59 17.335,60 170,62 4.489,63 47.768,64 1,65 3.835,66 6.674,67 6.674,68 5.208,69 18.011,70 8.921}
{0 CHEMBL2164214,13 3,14 26.427,16 18.199,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.065,24 1.413,25 10.894,26 16.386,28 2.424,29 14.588,33 12.81,34 7.806,35 10.226,36 66.123,37 6.159,38 236,39 59,40 4.094,41 4.779,42 7.279,43 4.715,44 4.541,45 8.976,46 3.255,48 33.829,49 6.49,50 1.564,51 6,52 22.955,53 0.188,54 10.121,55 10.121,56 0.865,57 4.1,58 4.1,59 17.478,60 226,62 4.696,63 53.478,64 1,65 3.943,66 6.688,67 6.688,68 5.625,69 18.011,70 7.507}
{0 CHEMBL2164215,13 3,14 26.223,16 18.103,17 1,18 10.644,19 10.644,20 10.644,21 4,22 12.974,24 1,25 10.813,26 16.293,28 2.118,29 14.498,33 12.725,34 7.722,35 10.145,36 62.914,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.216,43 4.611,44 4.423,45 8.897,46 3.247,48 29.872,49 6.476,50 1.411,51 6,52 21.875,53 0.192,54 10.068,55 10.068,56 0.886,57 4.1,58 4.1,59 17.478,60 200,62 4.631,63 51.358,64 1,65 3.905,66 6.688,67 6.688,68 5.473,69 18.011,70 9.155}
{0 CHEMBL2164216,13 2,14 26.215,16 18.199,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.136,24 1.542,25 10.894,26 16.386,28 2.56,29 14.588,33 12.81,34 7.806,35 10.226,36 65.728,37 6.159,38 236,39 59,40 4.094,41 4.779,42 7.279,43 4.598,44 4.453,45 8.976,46 3.227,48 28.023,49 6.49,50 1.957,51 6,52 19.018,53 0.188,54 10.121,55 10.121,56 0.996,57 4.1,58 4.1,59 17.478,60 226,61 1,62 4.591,63 50.989,64 1,65 3.903,66 6.688,67 6.688,68 5.456,69 36.022,70 7.845}
{0 CHEMBL2164217,13 2,14 26.011,16 18.103,17 1,18 10.644,19 10.644,20 10.644,21 4,22 13.052,24 1.5,25 10.813,26 16.293,28 2.5,29 14.498,33 12.725,34 7.722,35 10.145,36 62.53,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.216,43 4.49,44 4.33,45 8.897,46 3.215,48 24.264,49 6.476,50 1.525,51 6,52 17.88,53 0.192,54 10.068,55 10.068,56 1.031,57 4.1,58 4.1,59 17.478,60 200,61 1,62 4.526,63 48.87,64 1,65 3.863,66 6.688,67 6.688,68 5.291,69 36.022,70 9.959}
{0 CHEMBL2164218,13 2,14 24.86,16 18.02,17 1,18 10.644,19 10.644,20 10.644,21 3,22 12.897,24 0.927,25 10.699,26 16.202,28 2,29 14.4,33 12.617,34 7.624,35 10.032,36 52.12,37 5.927,38 187,39 47,40 3.871,41 4.554,42 7.041,43 4.076,44 3.912,45 8.805,46 3.145,48 16.739,49 6.428,50 0.959,51 6,52 12.352,53 0.214,54 9.861,55 9.861,56 0.901,57 4.1,58 4.1,59 17.478,60 140,62 4.212,63 42.858,64 1,65 3.716,66 6.688,67 6.688,68 4.923,69 18.011,70 9.046}
{0 CHEMBL2164219,13 2,14 25.378,16 18.047,17 1,18 10.644,19 10.644,20 10.644,21 3,22 12.917,24 0.927,25 10.734,26 16.229,28 2,29 14.426,33 12.643,34 7.647,35 10.06,36 55.043,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.081,43 4.261,44 4.079,45 8.825,46 3.153,48 20.824,49 6.468,50 1,51 6,52 15.247,53 0.208,54 10.033,55 10.033,56 0.832,57 4.1,58 4.1,59 17.478,60 160,62 4.359,63 45.074,64 1,65 3.763,66 6.688,67 6.688,68 5.129,69 18.011,70 9.398}
{0 CHEMBL2164220,13 2,14 25.268,16 18.047,17 1,18 10.644,19 10.644,20 10.644,21 3,22 12.967,24 0.948,25 10.734,26 16.229,28 2.043,29 14.426,33 12.643,34 7.647,35 10.06,36 57.774,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.081,43 4.147,44 3.996,45 8.825,46 3.16,48 17.268,49 6.468,50 1,51 6,52 12.698,53 0.208,54 10.033,55 10.033,56 0.872,57 4.1,58 4.1,59 17.478,60 160,62 4.309,63 44.103,64 1,65 3.752,66 6.688,67 6.688,68 4.996,69 18.011,70 9.398}
{0 CHEMBL2178569,4 2,6 2,7 1,8 1,9 1,11 2,13 2,14 11.692,16 18.775,17 1,18 12.787,19 12.787,20 12.787,21 8,22 13.37,23 1,24 1.594,25 11.327,26 16.877,27 2,28 2.612,29 14.997,30 1,31 2,33 13.141,34 8.25,35 10.697,36 64.061,37 6.18,38 241,39 60,40 4.111,41 4.796,42 7.328,43 4.373,44 4.245,45 9.427,46 3.186,48 21.926,49 6.808,50 1.782,51 1,52 16.336,53 0.192,54 11.265,55 11.265,56 1.043,57 4.444,58 4.444,59 20.784,60 180,62 4.483,63 46.108,65 3.86,66 7.39,67 7.39,68 5.204,69 85.367,70 9}
{0 CHEMBL2178576,14 25.059,16 18.743,18 13.546,19 13.546,20 13.546,21 3,22 13.258,24 0.302,25 11.222,26 16.806,28 1.761,29 14.888,33 12.994,34 8.145,35 10.574,36 50.171,37 5.894,38 181,39 45,40 3.829,41 4.511,42 7.052,43 3.93,44 3.727,45 9.304,46 3.024,48 16.617,49 6.859,50 0.707,52 12.988,53 0.226,54 11.227,55 11.227,56 1.145,57 4.479,58 4.479,59 21.375,60 112,62 4.226,63 36.87,64 1,65 3.589,66 7.552,67 7.552,68 4.847,70 8.699}
{0 CHEMBL2178577,13 4,14 60.811,15 2,16 18.846,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.702,24 1.5,25 11.352,26 16.957,28 2.5,29 15.083,33 13.231,34 8.388,35 10.827,36 74.431,37 6.26,38 261,39 67,40 4.22,41 4.905,42 7.421,43 4.729,44 4.566,45 9.585,46 3.55,48 33.191,49 7.111,50 1.767,51 4,52 25.602,53 0.185,54 11.657,55 11.657,56 0.712,57 4.188,58 4.188,59 18.635,60 250,62 4.738,63 56.205,64 3,65 4.03,66 7.111,67 7.111,68 5.623,70 9.77}
{0 CHEMBL2180528,13 3,14 25.607,16 17.809,18 10.228,19 10.228,20 10.228,21 3,22 12.707,24 0.505,25 10.495,26 16.005,28 1.764,29 14.214,33 12.44,34 7.434,35 9.839,36 46.811,37 5.796,38 164,39 41,40 3.738,41 4.419,42 6.917,43 3.988,44 3.819,45 8.595,46 3.027,48 16.419,49 6.146,50 1,52 11.936,53 0.226,54 9.059,55 9.059,56 1.413,57 4.052,58 4.052,59 17.241,60 126,61 2,62 4.145,63 36.677,64 1,65 3.593,66 6.568,67 6.568,68 4.887,69 18.011,70 4.699}
{0 CHEMBL219769,13 1,14 12.553,16 17.728,17 1,18 11.032,19 11.032,20 11.032,21 4,22 12.86,24 1,25 10.502,26 15.93,28 2,29 14.154,33 12.404,34 7.416,35 9.853,36 53.639,37 5.911,38 184,39 46,40 3.85,41 4.533,42 7.015,43 3.874,44 3.756,45 8.574,46 3.047,47 1,48 11.713,49 5.634,50 1.31,51 4,52 8.555,53 0.208,54 7.835,55 7.835,56 0.959,57 4.065,58 4.065,59 17.803,60 152,62 4.029,63 40.267,64 2,65 3.684,66 6.763,67 6.763,68 4.759,69 18.011,70 4.87}
{0 CHEMBL219770,14 12.623,16 17.87,17 2,18 11.03,19 11.03,20 11.03,21 4,22 12.964,24 1,25 10.618,26 16.065,28 2,29 14.28,33 12.519,34 7.529,35 9.966,36 55.292,37 5.953,38 192,39 48,40 3.892,41 4.575,42 7.064,43 3.896,44 3.799,45 8.701,46 3.116,47 1,48 12.282,49 6.1,50 1.213,52 8.47,53 0.206,54 8.904,55 8.904,56 0.842,57 4.06,58 4.06,59 17.794,60 166,62 4.062,63 41.273,64 2,65 3.698,66 6.763,67 6.763,68 4.767,69 18.011,70 4.851}
{0 CHEMBL219781,14 12.636,16 17.679,17 1,18 10.342,19 10.342,20 10.342,21 4,22 12.899,24 1,25 10.469,26 15.902,28 2,29 14.141,33 12.403,34 7.391,35 9.843,36 56.302,37 5.953,38 192,39 48,40 3.892,41 4.575,42 7.05,43 4.225,44 4.092,45 8.564,46 3.154,47 1,48 16.687,49 6.085,50 1.5,52 12.402,53 0.202,54 8.823,55 8.823,56 1.05,57 3.981,58 3.981,59 17.008,60 165,62 4.25,63 43.79,64 2,65 3.758,66 6.541,67 6.541,68 4.989,69 18.011,70 4.77}
{0 CHEMBL220199,12 1,13 2,14 12.808,16 17.741,17 1,18 9.254,19 9.254,20 9.254,21 5,22 12.872,24 1.171,25 10.547,26 15.983,28 2.259,29 14.238,33 12.509,34 7.506,35 9.922,36 57.379,37 6.038,38 209,39 52,40 3.97,41 4.654,42 7.138,43 4.179,44 4.005,45 8.668,46 3.2,48 18.028,49 6.1,50 1.437,51 1,52 13.309,53 0.195,54 8.9,55 8.9,56 1.411,57 3.905,58 3.905,59 15.537,60 192,62 4.173,63 44.79,64 1,65 3.804,66 6.208,67 6.208,68 4.986,69 18.011,70 5.598}
{0 CHEMBL2203612,12 1,13 5,14 12.816,16 18.378,17 1,18 11.654,19 11.654,20 11.654,21 8,22 13.152,24 1.5,25 11.074,26 16.536,28 2.5,29 14.708,33 12.901,34 7.923,35 10.396,36 60.924,37 6.151,38 234,39 57,40 4.06,41 4.745,42 7.311,43 4.531,44 4.373,45 9.107,46 3.311,47 1,48 27.445,49 6.523,50 1.599,51 6,52 19.148,53 0.19,54 10.278,55 10.278,56 1.224,57 4.226,58 4.226,59 18.865,60 148,62 4.584,63 46.114,64 1,65 3.853,66 6.922,67 6.922,68 5.408,69 18.011,70 8.046}
{0 CHEMBL2203613,12 1,13 5,14 12.769,16 18.327,17 1,18 11.635,19 11.635,20 11.635,21 6,22 13.125,24 1.485,25 11.007,26 16.487,28 2.499,29 14.662,33 12.855,34 7.87,35 10.34,36 57.763,37 6.089,38 220,39 54,40 4.007,41 4.691,42 7.251,43 4.554,44 4.358,45 9.067,46 3.295,47 1,48 29.331,49 6.412,50 1.5,51 6,52 20.066,53 0.197,54 9.757,55 9.757,56 1.271,57 4.218,58 4.218,59 18.841,60 140,62 4.602,63 46.421,64 1,65 3.834,66 6.918,67 6.918,68 5.432,69 18.011,70 8.097}
{0 CHEMBL2203614,12 1,13 3,14 12.64,16 18.127,17 1,18 11.591,19 11.591,20 11.591,21 6,22 13.035,24 1,25 10.831,26 16.294,28 2,29 14.477,33 12.683,34 7.698,35 10.171,36 54.192,37 6.014,38 204,39 50,40 3.932,41 4.615,42 7.168,43 4.274,44 4.088,45 8.881,46 3.271,47 1,48 21.647,49 6.212,50 1.429,51 6,52 14.788,53 0.201,54 9.281,55 9.281,56 1.365,57 4.195,58 4.195,59 18.737,60 124,62 4.36,63 42.898,64 1,65 3.766,66 6.908,67 6.908,68 5.152,69 18.011,70 7.699}
{0 CHEMBL2203615,12 1,13 5,14 12.781,16 18.38,17 1,18 11.657,19 11.657,20 11.657,21 8,22 13.156,24 1.5,25 11.073,26 16.537,28 2.5,29 14.708,33 12.899,34 7.923,35 10.409,36 59.581,37 6.133,38 230,39 56,40 4.043,41 4.727,42 7.29,43 4.497,44 4.315,45 9.125,46 3.327,47 1,48 27.02,49 6.542,50 1.553,51 6,52 18.61,53 0.192,54 10.34,55 10.34,56 1.283,57 4.233,58 4.233,59 18.871,60 140,62 4.558,63 45.66,64 1,65 3.844,66 6.923,67 6.923,68 5.349,69 18.011,70 8.699}
{0 CHEMBL2203616,12 1,13 5,14 12.781,16 18.38,17 1,18 11.657,19 11.657,20 11.657,21 8,22 13.156,24 1.5,25 11.073,26 16.537,28 2.5,29 14.708,33 12.899,34 7.923,35 10.409,36 59.581,37 6.133,38 230,39 56,40 4.043,41 4.727,42 7.29,43 4.497,44 4.315,45 9.125,46 3.327,47 1,48 27.02,49 6.542,50 1.553,51 6,52 18.61,53 0.192,54 10.34,55 10.34,56 1.283,57 4.233,58 4.233,59 18.871,60 140,62 4.558,63 45.66,64 1,65 3.844,66 6.923,67 6.923,68 5.349,69 18.011,70 8.222}
{0 CHEMBL2203617,12 1,13 3,14 12.572,16 18.146,17 1,18 11.644,19 11.644,20 11.644,21 6,22 13.05,24 0.709,25 10.857,26 16.308,28 1.886,29 14.487,33 12.686,34 7.698,35 10.217,36 50.995,37 5.974,38 196,39 48,40 3.892,41 4.575,42 7.183,43 4.113,44 3.932,45 8.929,46 3.239,47 1,48 18.483,49 6.212,50 1.333,51 2,52 12.555,53 0.206,54 9.283,55 9.283,56 1.387,57 4.216,58 4.216,59 18.812,60 110,62 4.195,63 39.375,64 1,65 3.692,66 6.919,67 6.919,68 5.002,69 18.011,70 6}
{0 CHEMBL2203618,12 1,13 5,14 12.644,16 18.601,17 1,18 13.257,19 13.257,20 13.257,21 8,22 13.253,24 1.059,25 11.248,26 16.709,28 2.163,29 14.835,33 12.985,34 8.111,35 10.653,36 56.829,37 6.103,38 223,39 54,40 4.007,41 4.691,42 7.27,43 4.234,44 4.057,45 9.355,46 3.286,47 1,48 20.459,49 6.597,50 1.429,51 4,52 14.095,53 0.197,54 10.486,55 10.486,56 1.419,57 4.486,58 4.486,59 21.073,60 124,62 4.322,63 42.137,64 1,65 3.776,66 7.332,67 7.332,68 5.097,69 18.011,70 7.77}
{0 CHEMBL2203619,12 1,13 2,14 12.682,16 18.767,17 1,18 14.044,19 14.044,20 14.044,21 6,22 13.253,24 1,25 11.287,26 16.83,28 2.007,29 14.917,33 13.032,34 8.181,35 10.65,36 56.086,37 6.066,38 215,39 53,40 3.989,41 4.673,42 7.241,43 4.325,44 4.136,45 9.35,46 3.271,47 1,48 23.074,49 6.37,50 1.442,51 6,52 15.705,53 0.199,54 9.656,55 9.656,56 1.251,57 4.513,58 4.513,59 22.178,60 132,62 4.426,63 44.66,64 1,65 3.8,66 7.66,67 7.66,68 5.213,69 18.011,70 8.921}
{0 CHEMBL2203620,12 1,13 5,14 12.833,16 18.378,17 1,18 11.654,19 11.654,20 11.654,21 8,22 13.152,24 1.5,25 11.074,26 16.536,28 2.5,29 14.708,33 12.901,34 7.923,35 10.396,36 64.449,37 6.151,38 234,39 57,40 4.06,41 4.745,42 7.311,43 4.616,44 4.41,45 9.107,46 3.322,47 1,48 29.245,49 6.523,50 1.599,51 6,52 21.982,53 0.19,54 10.278,55 10.278,56 1.271,57 4.225,58 4.225,59 18.865,60 148,62 4.651,63 47.307,64 1,65 3.873,66 6.922,67 6.922,68 5.397,69 18.011,70 7.668}
{0 CHEMBL2203621,12 1,13 5,14 12.816,16 18.378,17 1,18 11.654,19 11.654,20 11.654,21 8,22 13.152,24 1.5,25 11.074,26 16.536,28 2.5,29 14.708,33 12.901,34 7.923,35 10.396,36 60.924,37 6.151,38 234,39 57,40 4.06,41 4.745,42 7.311,43 4.531,44 4.373,45 9.107,46 3.311,47 1,48 27.445,49 6.523,50 1.599,51 6,52 19.148,53 0.19,54 10.278,55 10.278,56 1.224,57 4.226,58 4.226,59 18.865,60 148,62 4.584,63 46.114,64 1,65 3.853,66 6.922,67 6.922,68 5.408,69 18.011,70 7.401}
{0 CHEMBL2205801,14 21.951,16 17.856,18 11.481,19 11.481,20 11.481,21 6,22 12.916,24 -1.273,25 10.514,26 15.992,28 0.645,29 14.141,33 12.309,34 7.368,35 9.776,36 33.166,37 5.46,38 117,39 28,40 3.367,41 4.043,42 6.594,43 1.915,44 1.89,45 8.491,46 2.611,48 1.921,49 6.298,50 -1.044,52 1.761,53 0.272,54 9.442,55 9.442,56 1.008,57 4.231,58 4.231,59 19.02,60 42,62 2.47,63 19.205,65 3.071,66 6.873,67 6.873,68 2.99,70 5}
{0 CHEMBL2205805,16 17.199,18 9.641,19 9.641,20 9.641,21 3,22 12.504,24 -1.5,25 9.996,26 15.416,28 0.5,29 13.646,33 11.897,34 6.88,35 9.332,36 31.348,37 5.425,38 113,39 28,40 3.367,41 4.043,42 6.538,43 2.785,44 2.634,45 8.028,46 2.587,48 3.717,49 6.016,50 -0.858,52 2.966,53 0.263,54 8.629,55 8.629,56 1.061,57 3.966,58 3.966,59 16.108,60 46,62 3.168,63 21.921,65 3.147,66 6.299,67 6.299,68 3.517,70 5.096}
{0 CHEMBL2205807,16 16.667,18 9.065,19 9.065,20 9.065,21 2,22 12.14,24 -2.415,25 9.475,26 14.92,28 -0.5,29 13.188,33 11.475,34 6.475,35 8.87,36 21.859,37 5.069,38 79,39 20,40 3.045,41 3.714,42 6.188,43 2.299,44 2.032,45 7.609,46 2.536,48 3.283,49 5.101,50 -1.899,52 2.289,53 0.317,54 6.268,55 6.268,56 1.714,57 3.849,58 3.849,59 15.129,60 30,62 2.532,63 17.818,65 2.901,66 6.146,67 6.146,68 3.152,70 5.619}
{0 CHEMBL2205808,16 16.836,18 9.288,19 9.288,20 9.288,21 2,22 12.211,24 -1.921,25 9.667,26 15.08,28 -0.405,29 13.338,33 11.612,34 6.629,35 9.014,36 25.145,37 5.187,38 89,39 22,40 3.135,41 3.807,42 6.29,43 2.443,44 2.259,45 7.739,46 2.554,48 3.692,49 5.384,50 -1.5,52 2.676,53 0.297,54 7.064,55 7.064,56 0.759,57 3.889,58 3.889,59 15.596,60 38,62 2.685,63 18.727,65 2.947,66 6.195,67 6.195,68 3.412,70 4.679}
{0 CHEMBL2205809,16 17.503,18 10.912,19 10.912,20 10.912,21 6,22 12.779,24 -1.782,25 10.229,26 15.675,28 0.136,29 13.864,33 12.074,34 7.111,35 9.541,36 27.126,37 5.352,38 105,39 26,40 3.296,41 3.97,42 6.503,43 2.207,44 1.976,45 8.267,46 2.543,48 2.372,49 5.79,50 -1.5,52 1.7,53 0.287,54 7.964,55 7.964,56 1.645,57 4.147,58 4.147,59 18.152,60 34,62 2.563,63 19.818,65 3.054,66 6.71,67 6.71,68 2.894,70 5.711}
{0 CHEMBL2205810,16 17.443,18 10.887,19 10.887,20 10.887,21 6,22 12.696,24 -2.156,25 10.153,26 15.606,28 -0.047,29 13.786,33 11.986,34 7.018,35 9.457,36 25.402,37 5.283,38 98,39 24,40 3.219,41 3.892,42 6.425,43 1.743,44 1.506,45 8.165,46 2.478,48 1.65,49 5.753,50 -1.712,52 1.164,53 0.292,54 7.803,55 7.803,56 1.488,57 4.135,58 4.135,59 18.106,60 30,62 2.245,63 18.057,65 2.979,66 6.704,67 6.704,68 2.506,70 5.679}
{0 CHEMBL223686,12 1,16 18.337,17 1,18 12.628,19 12.628,20 12.628,21 6,22 13.27,24 0.618,25 10.984,26 16.456,28 1.618,29 14.592,33 12.75,34 7.811,35 10.255,36 48.871,37 5.872,38 177,39 43,40 3.784,41 4.466,42 6.987,43 4.176,44 3.992,45 8.972,46 3.097,47 1,48 19.217,49 6.422,50 0.709,51 2,52 12.385,53 0.224,54 9.789,55 9.789,56 1.023,57 4.38,58 4.38,59 20.628,60 127,62 4.327,63 38.927,64 1,65 3.623,66 7.178,67 7.178,68 5.074,69 18.011,70 4.65}
{0 CHEMBL226066,13 2,14 13.155,16 19.619,17 1,18 15.238,19 15.238,20 15.238,21 6,22 13.71,24 1.564,25 11.981,26 17.628,28 2.597,29 15.652,33 13.697,34 8.944,35 11.411,36 67.476,37 6.286,38 268,39 68,40 4.234,41 4.92,42 7.48,43 4.321,44 4.221,45 10.126,46 3.184,48 21.068,49 7.457,50 1.698,52 15.552,53 0.192,54 13.106,55 13.106,56 0.802,57 4.658,58 4.658,59 23.459,60 186,62 4.354,63 45.796,65 3.887,66 7.994,67 7.994,68 5.19,69 18.011,70 6.201}
{0 CHEMBL232409,13 1,16 17.459,17 2,18 9.307,19 9.307,20 9.307,21 4,22 12.6,24 0.947,25 10.295,26 15.708,28 2,29 13.971,33 12.253,34 7.248,35 9.662,36 47.721,37 5.844,38 172,39 43,40 3.784,41 4.466,42 6.956,43 4.087,44 3.884,45 8.376,46 3.049,48 17.064,49 6.138,50 1,51 4,52 13.069,53 0.213,54 9.041,55 9.041,56 1.02,57 3.899,58 3.899,59 15.675,60 134,61 1,62 4.18,63 39.341,65 3.649,66 6.202,67 6.202,68 4.829,69 18.011,70 6.456}
{0 CHEMBL232412,13 1,14 11.928,16 17.395,17 1,18 9.301,19 9.301,20 9.301,21 3,22 12.63,24 0.235,25 10.217,26 15.649,28 1.42,29 13.916,33 12.2,34 7.195,35 9.593,36 45.179,37 5.765,38 159,39 40,40 3.714,41 4.394,42 6.874,43 4.011,44 3.822,45 8.336,46 3.076,48 16.028,49 6.026,50 0.928,52 12.642,53 0.224,54 8.575,55 8.575,56 1.431,57 3.899,58 3.899,59 15.666,60 136,62 4.152,63 36.478,64 1,65 3.578,66 6.2,67 6.2,68 4.781,70 5.886}
{0 CHEMBL233385,16 16.869,18 9.175,19 9.175,20 9.175,21 2,22 12.32,24 -1.165,25 9.718,26 15.132,28 0.5,29 13.41,33 11.708,34 6.698,35 9.104,36 30.653,37 5.371,38 107,39 27,40 3.332,41 4.007,42 6.466,43 3.491,44 3.255,45 7.832,46 2.759,48 9.562,49 5.411,50 -0.756,52 7.653,53 0.269,54 7.152,55 7.152,56 1.446,57 3.859,58 3.859,59 15.473,60 66,62 3.635,63 26.523,65 3.248,66 6.172,67 6.172,68 4.202,69 18.011,70 5.959}
{0 CHEMBL233635,16 17.128,17 1,18 9.273,19 9.273,20 9.273,21 3,22 12.603,24 -0.108,25 10.019,26 15.404,28 1.137,29 13.695,33 12.004,34 6.986,35 9.406,36 41.272,37 5.68,38 146,39 37,40 3.638,41 4.317,42 6.786,43 3.961,44 3.791,45 8.128,46 2.886,48 13.853,49 5.479,50 0.202,52 10.751,53 0.231,54 7.372,55 7.372,56 1.298,57 3.885,58 3.885,59 15.637,60 110,62 4.056,63 34.046,65 3.515,66 6.194,67 6.194,68 4.625,70 4.996}
{0 CHEMBL233638,11 1,13 1,16 17.13,17 1,18 9.308,19 9.308,20 9.308,21 3,22 12.474,24 -0.433,25 10.008,26 15.401,28 0.896,29 13.686,33 11.988,34 6.986,35 9.41,36 37.429,37 5.595,38 134,39 34,40 3.555,41 4.234,42 6.701,43 3.708,44 3.51,45 8.165,46 2.759,48 11.792,49 5.531,50 -0.215,51 2,52 9.66,53 0.245,54 7.501,55 7.501,56 1.124,57 3.897,58 3.897,59 15.683,60 87,61 1,62 3.882,63 29.739,65 3.392,66 6.201,67 6.201,68 4.471,69 42.683,70 6.456}
{0 CHEMBL2338390,13 3,14 13.546,16 18.993,18 11.878,19 11.878,20 11.878,21 6,22 13.49,24 1.535,25 11.505,26 17.1,28 2.536,29 15.22,33 13.359,34 8.498,35 10.949,36 70.675,37 6.304,38 273,39 69,40 4.248,41 4.934,42 7.477,43 4.279,44 4.262,45 9.7,46 3.188,48 18.267,49 7.119,50 1.686,51 6,52 14.425,53 0.184,54 11.708,55 11.708,56 0.742,57 4.269,58 4.269,59 19.431,60 234,61 1,62 4.457,63 46.961,64 3,65 3.895,66 7.143,67 7.143,68 5.336,69 18.011,70 6.824}
{0 CHEMBL2338391,13 6,14 13.939,16 18.706,18 11.659,19 11.659,20 11.659,21 6,22 13.33,24 1.5,25 11.302,26 16.851,28 2.5,29 15.011,33 13.192,34 8.267,35 10.712,36 80.153,37 6.385,38 296,39 74,40 4.317,41 5.004,42 7.527,43 4.709,44 4.605,45 9.453,46 3.541,48 31.389,49 6.722,50 1.559,51 6,52 21.324,53 0.17,54 10.823,55 10.823,56 0.957,57 4.175,58 4.175,59 19.048,60 298,61 1,62 4.743,63 57.347,64 2,65 4.072,66 7.111,67 7.111,68 5.678,69 36.022,70 6.678}
{0 CHEMBL2338392,13 3,14 13.377,16 18.111,18 10.771,19 10.771,20 10.771,21 4,22 13.03,24 1,25 10.827,26 16.308,28 2,29 14.517,33 12.744,34 7.745,35 10.163,36 59.548,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.189,43 4.167,44 4.054,45 8.916,46 3.067,47 1,48 18.853,49 6.161,50 1.209,51 6,52 13.842,53 0.2,54 9.128,55 9.128,56 0.873,57 4.136,58 4.136,59 18.173,60 164,61 1,62 4.371,63 42.705,64 2,65 3.75,66 6.71,67 6.71,68 5.194,69 36.022,70 7.509}
{0 CHEMBL2338393,12 1,13 5,14 13.874,16 18.724,18 11.659,19 11.659,20 11.659,21 6,22 13.433,24 1.559,25 11.326,26 16.871,28 2.555,29 15.034,33 13.218,34 8.295,35 10.74,36 80.404,37 6.395,38 299,39 75,40 4.331,41 5.017,42 7.536,43 4.587,44 4.523,45 9.49,46 3.553,48 25.198,49 6.722,50 1.758,51 6,52 17.526,53 0.17,54 10.827,55 10.827,56 0.954,57 4.175,58 4.175,59 19.049,60 298,61 1,62 4.653,63 55.069,64 2,65 4.042,66 7.111,67 7.111,68 5.533,69 36.022,70 7.301}
{0 CHEMBL233845,16 16.857,18 9.126,19 9.126,20 9.126,21 2,22 12.308,24 -1.5,25 9.689,26 15.119,28 0.169,29 13.395,33 11.689,34 6.698,35 9.079,36 28.109,37 5.293,38 99,39 25,40 3.258,41 3.932,42 6.402,43 3.14,44 2.939,45 7.827,46 2.715,48 5.804,49 5.411,50 -1.198,52 4.508,53 0.284,54 7.151,55 7.151,56 1.55,57 3.852,58 3.852,59 15.407,60 52,62 3.261,63 23,65 3.13,66 6.164,67 6.164,68 3.785,69 32.897,70 5.77}
{0 CHEMBL233846,11 1,14 12.489,16 18.269,17 1,18 11.782,19 11.782,20 11.782,21 4,22 13.168,24 1,25 10.933,26 16.429,28 2.022,29 14.608,33 12.811,34 7.974,35 10.362,36 61.056,37 6.089,38 220,39 56,40 4.043,41 4.727,42 7.228,43 4.418,44 4.264,45 9.115,46 3.101,48 22.957,49 6.408,50 1.5,51 4,52 17.673,53 0.195,54 9.726,55 9.726,56 1.216,57 4.241,58 4.241,59 18.341,60 206,62 4.424,63 47.773,65 3.851,66 6.973,67 6.973,68 5.163,69 78.705,70 7.328}
{0 CHEMBL233847,11 1,14 12.721,16 18.316,17 1,18 11.782,19 11.782,20 11.782,21 4,22 13.193,24 1,25 10.989,26 16.474,28 2.023,29 14.651,33 12.851,34 8.023,35 10.398,36 63.097,37 6.133,38 230,39 58,40 4.078,41 4.762,42 7.265,43 4.495,44 4.33,45 9.145,46 3.279,48 25.732,49 6.512,50 1.5,51 4,52 19.498,53 0.19,54 10.215,55 10.215,56 1.22,57 4.241,58 4.241,59 18.507,60 226,62 4.527,63 51.296,65 3.914,66 6.973,67 6.973,68 5.268,69 78.705,70 7.959}
{0 CHEMBL234017,11 1,14 12.423,16 18.299,17 1,18 11.782,19 11.782,20 11.782,21 4,22 13.221,24 1,25 10.974,26 16.463,28 2.022,29 14.646,33 12.852,34 8.011,35 10.401,36 63.393,37 6.12,38 227,39 58,40 4.078,41 4.762,42 7.263,43 4.398,44 4.251,45 9.158,46 3.096,48 20.35,49 6.434,50 1.5,51 4,52 16.789,53 0.194,54 9.849,55 9.849,56 1.039,57 4.241,58 4.241,59 18.616,60 216,62 4.407,63 46.824,65 3.839,66 6.973,67 6.973,68 5.08,69 78.705,70 6.347}
{0 CHEMBL234204,16 17.161,17 2,18 9.298,19 9.298,20 9.298,21 3,22 12.485,24 -0.129,25 10.039,26 15.436,28 1.053,29 13.724,33 12.028,34 7.034,35 9.423,36 39.784,37 5.659,38 143,39 36,40 3.611,41 4.29,42 6.77,43 3.919,44 3.713,45 8.157,46 2.946,48 14.434,49 5.471,50 0.195,52 11.185,53 0.235,54 7.304,55 7.304,56 1.072,57 3.89,58 3.89,59 15.661,60 105,62 4.017,63 33.813,65 3.487,66 6.199,67 6.199,68 4.652,70 4.523}
{0 CHEMBL234206,14 11.397,16 17.115,17 1,18 9.298,19 9.298,20 9.298,21 3,22 12.526,24 -0.397,25 9.996,26 15.391,28 0.963,29 13.681,33 11.989,34 6.986,35 9.389,36 39.576,37 5.624,38 138,39 35,40 3.584,41 4.263,42 6.739,43 3.802,44 3.604,45 8.124,46 2.91,48 12.6,49 5.424,52 10.335,53 0.24,54 7.19,55 7.19,56 1.204,57 3.891,58 3.891,59 15.66,60 94,62 3.937,63 30.739,65 3.428,66 6.199,67 6.199,68 4.517,70 6.824}
{0 CHEMBL234208,11 1,14 12.574,16 18.299,17 1,18 11.782,19 11.782,20 11.782,21 4,22 13.221,24 1,25 10.974,26 16.463,28 2.022,29 14.646,33 12.852,34 8.011,35 10.401,36 62.915,37 6.12,38 227,39 58,40 4.078,41 4.762,42 7.263,43 4.443,44 4.293,45 9.158,46 3.135,48 23.175,49 6.434,50 1.5,51 4,52 17.882,53 0.194,54 9.849,55 9.849,56 1.189,57 4.241,58 4.241,59 18.616,60 216,62 4.451,63 49.535,65 3.883,66 6.973,67 6.973,68 5.203,69 78.705,70 7}
{0 CHEMBL234461,16 16.925,17 1,18 9.249,19 9.249,20 9.249,21 2,22 12.359,24 -1.124,25 9.784,26 15.192,28 0.361,29 13.474,33 11.775,34 6.783,35 9.171,36 31.281,37 5.389,38 109,39 28,40 3.367,41 4.043,42 6.503,43 3.417,44 3.206,45 7.928,46 2.754,48 9.387,49 5.412,50 -1,52 7.059,53 0.272,54 7.155,55 7.155,56 1.248,57 3.876,58 3.876,59 15.586,60 66,62 3.641,63 26.523,65 3.241,66 6.189,67 6.189,68 4.188,70 6.222}
{0 CHEMBL234634,16 17.018,17 1,18 9.29,19 9.29,20 9.29,21 2,22 12.394,24 -0.62,25 9.871,26 15.286,28 0.689,29 13.567,33 11.865,34 6.88,35 9.248,36 33.444,37 5.476,38 119,39 30,40 3.434,41 4.111,42 6.578,43 3.75,44 3.494,45 8.001,46 2.94,48 13.087,49 5.414,50 -0.402,52 10.581,53 0.259,54 7.161,55 7.161,56 1.278,57 3.885,58 3.885,59 15.645,60 80,62 3.906,63 30.046,65 3.354,66 6.198,67 6.198,68 4.495,70 5.854}
{0 CHEMBL234672,13 1,16 17.115,17 1,18 9.298,19 9.298,20 9.298,21 3,22 12.468,24 -0.389,25 9.996,26 15.391,28 0.933,29 13.681,33 11.989,34 6.986,35 9.389,36 39.017,37 5.624,38 138,39 35,40 3.584,41 4.263,42 6.739,43 3.818,44 3.619,45 8.124,46 2.91,48 12.948,49 5.424,51 4,52 10.788,53 0.24,54 7.19,55 7.19,56 1.152,57 3.89,58 3.89,59 15.66,60 94,62 3.947,63 30.983,65 3.434,66 6.199,67 6.199,68 4.566,70 6.553}
{0 CHEMBL234673,13 1,16 17.115,17 1,18 9.298,19 9.298,20 9.298,21 3,22 12.468,24 -0.389,25 9.996,26 15.391,28 0.933,29 13.681,33 11.989,34 6.986,35 9.389,36 38.752,37 5.624,38 138,39 35,40 3.584,41 4.263,42 6.739,43 3.869,44 3.656,45 8.124,46 2.91,48 13.548,49 5.424,51 4,52 10.748,53 0.24,54 7.19,55 7.19,56 1.155,57 3.89,58 3.89,59 15.66,60 94,62 3.984,63 32.052,65 3.45,66 6.199,67 6.199,68 4.592,69 32.897,70 5.328}
{0 CHEMBL234674,13 1,16 17.167,17 1,18 9.298,19 9.298,20 9.298,21 3,22 12.49,25 10.053,26 15.442,28 1.155,29 13.731,33 12.036,34 7.034,35 9.435,36 41.303,37 5.687,38 147,39 37,40 3.638,41 4.317,42 6.792,43 3.977,44 3.768,45 8.161,46 3.032,48 15.117,49 5.481,50 0.279,51 4,52 11.784,53 0.231,54 7.351,55 7.351,56 1.15,57 3.891,58 3.891,59 15.661,60 122,62 4.078,63 35.574,65 3.538,66 6.199,67 6.199,68 4.7,69 18.011,70 5.509}
{0 CHEMBL234676,1 1,4 1,5 1,7 1,8 1,9 1,11 1,13 1,14 11.106,16 17.343,17 1,18 9.3,19 9.3,20 9.3,21 3,22 12.605,24 -0.09,25 10.161,26 15.601,28 1.113,29 13.872,30 1,31 2,32 2,33 12.158,34 7.159,35 9.549,36 42.381,37 5.707,38 150,39 38,40 3.664,41 4.344,42 6.825,43 3.91,44 3.729,45 8.302,46 2.91,48 13.866,49 5.927,50 0.237,52 11.259,53 0.233,54 8.213,55 8.213,56 1.251,57 3.896,58 3.896,59 15.664,60 110,62 4.009,63 32.955,65 3.496,66 6.2,67 6.2,68 4.627,69 42.683,70 5.071}
{0 CHEMBL234843,13 1,14 11.366,16 17.24,17 1,18 9.299,19 9.299,20 9.299,21 3,22 12.595,24 0.252,25 10.13,26 15.52,28 1.442,29 13.813,33 12.122,34 7.125,35 9.514,36 45.237,37 5.759,38 158,39 40,40 3.714,41 4.394,42 6.868,43 3.992,44 3.802,45 8.256,46 3.025,48 15.682,49 5.547,50 0.468,51 4,52 12.377,53 0.224,54 7.551,55 7.551,56 1.149,57 3.891,58 3.891,59 15.661,60 134,62 4.125,63 35.722,64 1,65 3.555,66 6.199,67 6.199,68 4.799,69 18.011,70 6.398}
{0 CHEMBL234844,13 1,16 17.161,17 1,18 9.298,19 9.298,20 9.298,21 3,22 12.485,24 -0.129,25 10.039,26 15.436,28 1.053,29 13.724,33 12.028,34 7.034,35 9.423,36 39.945,37 5.659,38 143,39 36,40 3.611,41 4.29,42 6.77,43 3.942,44 3.732,45 8.157,46 2.91,48 14.714,49 5.471,50 0.195,52 11.59,53 0.235,54 7.304,55 7.304,56 1.159,57 3.891,58 3.891,59 15.661,60 105,62 4.031,63 33.813,65 3.498,66 6.199,67 6.199,68 4.661,69 32.897,70 5.886}
{0 CHEMBL234894,11 1,16 18.439,17 1,18 13.187,19 13.187,20 13.187,21 4,22 13.062,24 0.952,25 10.96,26 16.523,28 2,29 14.635,33 12.78,34 7.951,35 10.371,36 51.378,37 5.943,38 190,39 48,40 3.892,41 4.575,42 7.088,43 4.139,44 3.95,45 9.091,46 3.072,48 16.812,49 6.198,50 1,51 4,52 14.252,53 0.21,54 9.295,55 9.295,56 1.245,57 4.41,58 4.41,59 20.487,60 150,62 4.26,63 40.375,65 3.697,66 7.471,67 7.471,68 4.801,69 42.683,70 5.319}
{0 CHEMBL234896,11 1,16 17.965,17 1,18 11.689,19 11.689,20 11.689,21 3,22 12.768,25 10.609,26 16.114,28 1.146,29 14.282,33 12.475,34 7.706,35 10.071,36 41.847,37 5.727,38 153,39 39,40 3.689,41 4.369,42 6.87,43 3.961,44 3.775,45 8.823,46 2.91,48 14.652,49 6.198,50 0.254,51 4,52 11.651,53 0.233,54 9.294,55 9.294,56 1.187,57 4.23,58 4.23,59 18.054,60 110,62 4.046,63 34.267,65 3.517,66 6.96,67 6.96,68 4.694,69 75.581,70 6.237}
{0 CHEMBL236421,11 1,14 12.155,15 2,16 18.269,17 1,18 11.782,19 11.782,20 11.782,21 4,22 13.168,24 1,25 10.933,26 16.429,28 2.022,29 14.608,33 12.811,34 7.974,35 10.362,36 61.498,37 6.089,38 220,39 56,40 4.043,41 4.727,42 7.228,43 4.325,44 4.201,45 9.115,46 3.094,48 19.879,49 6.408,50 1.5,51 4,52 16.154,53 0.195,54 9.726,55 9.726,56 1.059,57 4.241,58 4.241,59 18.341,60 206,62 4.355,63 44.125,65 3.801,66 6.973,67 6.973,68 5.084,69 78.705,70 6.495}
{0 CHEMBL236622,11 1,14 12.371,16 18.269,17 1,18 11.782,19 11.782,20 11.782,21 4,22 13.168,24 1,25 10.933,26 16.429,28 2.022,29 14.608,33 12.811,34 7.974,35 10.362,36 61.543,37 6.089,38 220,39 56,40 4.043,41 4.727,42 7.228,43 4.383,44 4.236,45 9.115,46 3.094,48 20.425,49 6.408,50 1.5,51 4,52 16.621,53 0.195,54 9.726,55 9.726,56 1.156,57 4.241,58 4.241,59 18.341,60 206,62 4.396,63 45.966,65 3.821,66 6.973,67 6.973,68 5.076,69 78.705,70 7.244}
{0 CHEMBL237896,11 2,13 1,16 18.074,17 2,18 11.916,19 11.916,20 11.916,21 4,22 12.875,24 0.953,25 10.769,26 16.235,28 2,29 14.418,33 12.628,34 7.82,35 10.212,36 52.48,37 5.953,38 192,39 49,40 3.912,41 4.595,42 7.094,43 4.217,44 4.036,45 8.953,46 3.081,48 19.744,49 6.198,50 1,51 8,52 15.245,53 0.207,54 9.294,55 9.294,56 1.028,57 4.26,58 4.26,59 18.364,60 162,61 1,62 4.363,63 42.767,65 3.739,66 6.998,67 6.998,68 5.058,69 85.367,70 5.959}
{0 CHEMBL238118,11 1,14 12.175,15 1,16 18.092,17 1,18 11.782,19 11.782,20 11.782,21 4,22 13.062,24 1,25 10.793,26 16.264,28 2.022,29 14.458,33 12.679,34 7.863,35 10.243,36 59.332,37 6.047,38 211,39 54,40 4.007,41 4.691,42 7.182,43 4.328,44 4.177,45 8.99,46 3.095,48 20.173,49 6.198,50 1.5,51 4,52 16.095,53 0.197,54 9.294,55 9.294,56 1.059,57 4.24,58 4.24,59 18.149,60 214,62 4.357,63 44.188,65 3.792,66 6.973,67 6.973,68 5.069,69 78.705,70 5.824}
{0 CHEMBL238545,16 16.971,18 9.175,19 9.175,20 9.175,21 2,22 12.51,24 -0.65,25 9.826,26 15.242,28 0.749,29 13.528,33 11.833,34 6.843,35 9.214,36 35.216,37 5.501,38 122,39 31,40 3.466,41 4.143,42 6.597,43 3.533,44 3.409,45 7.958,46 2.858,48 8.322,49 5.48,50 -0.303,52 6.572,53 0.253,54 7.334,55 7.334,56 1.287,57 3.86,58 3.86,59 15.474,60 94,61 2,62 3.619,63 27.614,65 3.295,66 6.172,67 6.172,68 4.364,69 65.794,70 6.155}
{0 CHEMBL238546,16 17.124,18 9.175,19 9.175,20 9.175,21 3,22 12.692,24 0.714,25 10.012,26 15.405,28 1.818,29 13.702,33 12.018,34 7.002,35 9.408,36 45.418,37 5.759,38 158,39 40,40 3.714,41 4.394,42 6.851,43 3.854,44 3.716,45 8.116,46 3.005,48 12.25,49 5.508,50 0.998,52 9.449,53 0.219,54 7.436,55 7.436,56 1.418,57 3.86,58 3.86,59 15.474,60 136,61 2,62 3.985,63 35.137,65 3.556,66 6.172,67 6.172,68 4.65,69 82.457,70 5.538}
{0 CHEMBL238549,14 21.921,16 17.474,18 9.346,19 9.346,20 9.346,21 2,22 12.849,24 -0.301,25 10.223,26 15.701,28 1.079,29 13.94,33 12.196,34 7.213,35 9.586,36 41.157,37 5.652,38 142,39 36,40 3.611,41 4.29,42 6.763,43 3.719,44 3.662,45 8.356,46 2.959,48 7.751,49 6.16,50 0.055,52 6.96,53 0.242,54 9.133,55 9.133,56 1.312,57 3.932,58 3.932,59 15.685,60 98,61 2,62 3.72,63 28.767,64 1,65 3.352,66 6.233,67 6.233,68 4.532,69 65.794,70 5.06}
{0 CHEMBL238738,16 17.166,18 9.941,19 9.941,20 9.941,21 2,22 12.508,24 -0.905,25 9.925,26 15.389,28 0.783,29 13.632,33 11.898,34 6.899,35 9.296,36 34.08,37 5.468,38 118,39 30,40 3.434,41 4.111,42 6.569,43 3.444,44 3.318,45 8.038,46 2.748,48 7.317,49 5.41,50 -0.427,52 5.789,53 0.259,54 7.149,55 7.149,56 1.331,57 3.936,58 3.936,59 16.611,60 80,61 2,62 3.579,63 25.762,65 3.245,66 6.452,67 6.452,68 4.229,69 82.457,70 4.523}
{0 CHEMBL238759,16 17.319,18 10.29,19 10.29,20 10.29,21 2,22 12.654,24 -0.427,25 10.105,26 15.539,28 0.934,29 13.779,33 12.041,34 7.066,35 9.451,36 37.225,37 5.565,38 130,39 33,40 3.526,41 4.205,42 6.671,43 3.698,44 3.586,45 8.2,46 2.923,48 8.317,49 5.412,50 -0.223,52 7.036,53 0.25,54 7.155,55 7.155,56 1.267,57 4.011,58 4.011,59 17.224,60 94,61 2,62 3.743,63 28.472,65 3.325,66 6.527,67 6.527,68 4.433,69 65.794,70 4.523}
{0 CHEMBL238949,14 11.586,16 17.252,18 9.177,19 9.177,20 9.177,21 2,22 12.662,24 -0.314,25 10.046,26 15.497,28 1.082,29 13.756,33 12.033,34 7.034,35 9.419,36 39.417,37 5.595,38 134,39 34,40 3.555,41 4.234,42 6.696,43 3.648,44 3.55,45 8.177,46 2.958,48 8.984,49 6.056,50 0.06,52 7.22,53 0.245,54 8.723,55 8.723,56 1.516,57 3.872,58 3.872,59 15.479,60 92,61 2,62 3.722,63 29.068,64 1,65 3.357,66 6.172,67 6.172,68 4.454,69 65.794,70 5.796}
{0 CHEMBL239144,10 1,13 2,14 12.907,16 18.083,17 1,18 10.616,19 10.616,20 10.616,21 5,22 13.245,24 1.438,25 10.847,26 16.293,28 2.441,29 14.518,33 12.762,34 7.776,35 10.195,36 66.278,37 6.176,38 240,39 60,40 4.111,41 4.796,42 7.284,43 4.61,44 4.48,45 8.945,46 3.398,47 1,48 26.399,49 6.19,50 1.758,52 19.283,53 0.186,54 9.26,55 9.26,56 0.874,57 4.115,58 4.115,59 17.538,60 252,62 4.531,63 54.114,64 1,65 3.96,66 6.605,67 6.605,68 5.38,69 18.011,70 5.793}
{0 CHEMBL239153,1 2,6 2,7 1,8 1,9 1,11 1,14 10.994,16 17.199,18 9.177,19 9.177,20 9.177,21 2,22 12.618,23 1,24 -0.785,25 9.994,26 15.448,28 0.784,29 13.711,30 2,31 2,33 11.993,34 6.991,35 9.379,36 37.587,37 5.557,38 129,39 33,40 3.526,41 4.205,42 6.663,43 3.575,44 3.483,45 8.141,46 2.94,48 7.567,49 5.975,50 -0.309,52 6.207,53 0.25,54 8.46,55 8.46,56 1.276,57 3.868,58 3.868,59 15.478,60 86,61 2,62 3.649,63 27.307,65 3.31,66 6.172,67 6.172,68 4.301,69 125.141,70 4.409}
{0 CHEMBL239154,16 16.915,18 9.175,19 9.175,20 9.175,21 2,22 12.488,24 -1,25 9.773,26 15.188,28 0.675,29 13.476,33 11.784,34 6.783,35 9.172,36 33.774,37 5.46,38 117,39 30,40 3.434,41 4.111,42 6.561,43 3.528,44 3.388,45 7.918,46 2.812,48 7.823,49 5.411,50 -0.437,52 6.059,53 0.259,54 7.152,55 7.152,56 1.329,57 3.86,58 3.86,59 15.474,60 80,61 2,62 3.608,63 27.159,65 3.279,66 6.172,67 6.172,68 4.258,69 65.794,70 6.301}
{0 CHEMBL239783,16 16.928,18 9.176,19 9.176,20 9.176,21 2,22 12.49,24 -0.849,25 9.793,26 15.198,28 0.675,29 13.484,33 11.789,34 6.783,35 9.184,36 33.852,37 5.46,38 117,39 30,40 3.434,41 4.111,42 6.561,43 3.585,44 3.445,45 7.928,46 2.909,48 8.195,49 5.501,50 -0.512,52 6.339,53 0.259,54 7.434,55 7.434,56 1.324,57 3.861,58 3.861,59 15.476,60 74,61 2,62 3.618,63 27.159,65 3.279,66 6.172,67 6.172,68 4.299,69 65.794,70 5.77}
{0 CHEMBL239998,16 17.523,18 10.198,19 10.198,20 10.198,21 4,22 12.83,24 -0.289,25 10.274,26 15.724,28 1.123,29 13.942,33 12.183,34 7.195,35 9.609,36 40.088,37 5.666,38 144,39 36,40 3.611,41 4.29,42 6.777,43 3.779,44 3.657,45 8.33,46 2.998,48 9.109,49 6.169,50 0.078,52 7.227,53 0.235,54 9.168,55 9.168,56 1.231,57 4.031,58 4.031,59 16.983,60 92,61 2,62 3.791,63 30.159,65 3.419,66 6.506,67 6.506,68 4.409,69 82.457,70 5.959}
{0 CHEMBL240018,16 17.245,18 10.026,19 10.026,20 10.026,21 2,22 12.631,24 -0.945,25 10.021,26 15.474,28 0.677,29 13.722,33 11.992,34 7.002,35 9.389,36 35.763,37 5.525,38 125,39 32,40 3.497,41 4.174,42 6.637,43 3.577,44 3.458,45 8.149,46 2.746,48 7.893,49 5.419,50 -0.414,52 6.145,53 0.256,54 7.168,55 7.168,56 1.334,57 3.987,58 3.987,59 16.682,60 87,61 2,62 3.683,63 27.523,65 3.302,66 6.468,67 6.468,68 4.313,69 65.794,70 5.071}
{0 CHEMBL240037,16 17.286,18 9.188,19 9.188,20 9.188,21 3,22 12.64,24 0.027,25 10.087,26 15.536,28 1.315,29 13.799,33 12.081,34 7.066,35 9.476,36 40.667,37 5.659,38 143,39 36,40 3.611,41 4.29,42 6.756,43 3.822,44 3.672,45 8.23,46 2.888,48 10.374,49 6.016,50 0.496,52 8.597,53 0.235,54 8.537,55 8.537,56 1.582,57 3.87,58 3.87,59 15.503,60 102,61 1,62 3.848,63 30.779,64 1,65 3.413,66 6.177,67 6.177,68 4.475,69 18.011,70 4.854}
{0 CHEMBL240260,16 16.915,18 9.175,19 9.175,20 9.175,21 2,22 12.461,24 -1.04,25 9.773,26 15.188,28 0.669,29 13.476,33 11.784,34 6.783,35 9.172,36 33.924,37 5.46,38 117,39 30,40 3.434,41 4.111,42 6.561,43 3.53,44 3.37,45 7.918,46 2.764,48 7.545,49 5.411,50 -0.436,52 6.541,53 0.259,54 7.152,55 7.152,56 1.386,57 3.86,58 3.86,59 15.474,60 80,61 2,62 3.612,63 26.75,65 3.26,66 6.172,67 6.172,68 4.216,69 82.457,70 6.222}
{0 CHEMBL240636,16 16.971,18 9.175,19 9.175,20 9.175,21 2,22 12.579,24 -0.745,25 9.826,26 15.242,28 0.88,29 13.528,33 11.833,34 6.843,35 9.214,36 37.583,37 5.501,38 122,39 31,40 3.466,41 4.143,42 6.597,43 3.505,44 3.377,45 7.958,46 2.832,48 7.42,49 5.48,50 -0.305,52 6.013,53 0.253,54 7.334,55 7.334,56 1.379,57 3.86,58 3.86,59 15.474,60 94,61 2,62 3.612,63 26.642,65 3.278,66 6.172,67 6.172,68 4.228,69 82.457,70 6.319}
{0 CHEMBL240637,16 16.984,18 9.176,19 9.176,20 9.176,21 2,22 12.582,24 -0.808,25 9.846,26 15.252,28 0.824,29 13.535,33 11.837,34 6.843,35 9.227,36 37.647,37 5.501,38 122,39 31,40 3.466,41 4.143,42 6.597,43 3.548,44 3.433,45 7.967,46 2.934,48 7.357,49 5.585,50 -0.309,52 6.003,53 0.253,54 7.683,55 7.683,56 1.374,57 3.861,58 3.861,59 15.476,60 81,61 2,62 3.625,63 26.642,65 3.278,66 6.172,67 6.172,68 4.246,69 82.457,70 5.699}
{0 CHEMBL240638,14 21.6,16 17.199,18 9.177,19 9.177,20 9.177,21 2,22 12.698,24 -0.792,25 9.994,26 15.448,28 1,29 13.711,33 11.993,34 6.991,35 9.379,36 38.081,37 5.557,38 129,39 33,40 3.526,41 4.205,42 6.663,43 3.528,44 3.45,45 8.141,46 2.956,48 7.066,49 5.975,50 -0.309,52 5.823,53 0.25,54 8.46,55 8.46,56 1.29,57 3.865,58 3.865,59 15.478,60 86,61 2,62 3.613,63 26.551,64 1,65 3.281,66 6.172,67 6.172,68 4.297,69 82.457,70 5.77}
{0 CHEMBL240639,16 16.915,18 9.175,19 9.175,20 9.175,21 2,22 12.461,24 -1.04,25 9.773,26 15.188,28 0.669,29 13.476,33 11.784,34 6.783,35 9.172,36 34.001,37 5.46,38 117,39 30,40 3.434,41 4.111,42 6.561,43 3.451,44 3.332,45 7.918,46 2.745,48 7.324,49 5.411,50 -0.436,52 5.716,53 0.259,54 7.152,55 7.152,56 1.288,57 3.861,58 3.861,59 15.474,60 80,61 2,62 3.555,63 25.762,65 3.245,66 6.172,67 6.172,68 4.225,69 82.457,70 6.222}
{0 CHEMBL240640,15 1,16 16.915,18 9.175,19 9.175,20 9.175,21 2,22 12.461,24 -1.04,25 9.773,26 15.188,28 0.669,29 13.476,33 11.784,34 6.783,35 9.172,36 33.978,37 5.46,38 117,39 30,40 3.434,41 4.111,42 6.561,43 3.351,44 3.275,45 7.918,46 2.721,48 7.048,49 5.411,50 -0.436,52 5.392,53 0.259,54 7.152,55 7.152,56 1.171,57 3.867,58 3.867,59 15.474,60 80,61 2,62 3.468,63 24.841,65 3.227,66 6.172,67 6.172,68 4.237,69 82.457,70 5.469}
{0 CHEMBL240641,16 17.254,18 10.065,19 10.065,20 10.065,21 2,22 12.609,24 -0.63,25 10.035,26 15.481,28 0.862,29 13.727,33 11.996,34 7.002,35 9.405,36 36.059,37 5.525,38 125,39 32,40 3.497,41 4.174,42 6.637,43 3.529,44 3.418,45 8.161,46 2.791,48 7.154,49 5.412,50 -0.386,52 6.059,53 0.256,54 7.154,55 7.154,56 1.189,57 3.975,58 3.975,59 16.954,60 87,61 2,62 3.651,63 26.619,65 3.276,66 6.478,67 6.478,68 4.249,69 82.457,70 5.509}
{0 CHEMBL240655,14 22.065,16 17.414,18 9.747,19 9.747,20 9.747,21 2,22 12.738,24 -0.668,25 10.139,26 15.622,28 1,29 13.846,33 12.091,34 7.101,35 9.492,36 38.003,37 5.565,38 130,39 33,40 3.526,41 4.205,42 6.671,43 3.56,44 3.496,45 8.245,46 2.986,48 7.02,49 6.168,50 -0.291,52 6.1,53 0.25,54 9.161,55 9.161,56 1.251,57 3.946,58 3.946,59 16.227,60 86,61 2,62 3.646,63 26.551,64 1,65 3.281,66 6.405,67 6.405,68 4.368,69 82.457,70 5.244}
{0 CHEMBL240838,16 18.031,18 11.707,19 11.707,20 11.707,21 2,22 12.85,24 -0.644,25 10.536,26 16.148,28 0.853,29 14.285,33 12.45,34 7.609,35 10.053,36 39.322,37 5.624,38 138,39 36,40 3.611,41 4.29,42 6.767,43 3.804,44 3.682,45 8.809,46 2.937,48 10.727,49 6.138,50 -0.25,52 7.356,53 0.248,54 9.043,55 9.043,56 0.995,57 4.328,58 4.328,59 18.715,60 102,61 2,62 3.775,63 31.949,65 3.432,66 7.119,67 7.119,68 4.581,69 65.794,70 4.523}
{0 CHEMBL241057,16 16.971,18 9.217,19 9.217,20 9.217,21 2,22 12.579,24 -0.742,25 9.828,26 15.242,28 0.891,29 13.528,33 11.833,34 6.843,35 9.215,36 37.625,37 5.501,38 122,39 31,40 3.466,41 4.143,42 6.597,43 3.488,44 3.394,45 7.958,46 2.889,48 7.397,49 5.413,50 -0.256,52 5.599,53 0.253,54 7.159,55 7.159,56 1.339,57 3.887,58 3.887,59 15.523,60 87,61 2,62 3.562,63 26.148,65 3.27,66 6.18,67 6.18,68 4.288,69 82.457,70 6.222}
{0 CHEMBL241059,16 16.915,18 9.176,19 9.176,20 9.176,21 2,22 12.461,24 -0.842,25 9.773,26 15.188,28 0.654,29 13.476,33 11.784,34 6.783,35 9.172,36 34.003,37 5.46,38 117,39 30,40 3.434,41 4.111,42 6.561,43 3.475,44 3.34,45 7.918,46 2.715,48 7.305,49 5.41,50 -0.611,52 5.925,53 0.259,54 7.148,55 7.148,56 1.154,57 3.86,58 3.86,59 15.471,60 80,61 2,62 3.542,63 25.762,65 3.245,66 6.172,67 6.172,68 4.232,69 82.457,70 4.523}
{0 CHEMBL241097,16 17.245,18 10.026,19 10.026,20 10.026,21 2,22 12.631,24 -0.945,25 10.021,26 15.474,28 0.677,29 13.722,33 11.992,34 7.002,35 9.389,36 35.727,37 5.525,38 125,39 32,40 3.497,41 4.174,42 6.637,43 3.621,44 3.48,45 8.149,46 2.762,48 8.005,49 5.419,50 -0.414,52 6.565,53 0.256,54 7.168,55 7.168,56 1.388,57 3.986,58 3.986,59 16.682,60 87,61 2,62 3.717,63 28.017,65 3.31,66 6.468,67 6.468,68 4.307,69 65.794,70 6.699}
{0 CHEMBL241251,14 11.428,16 17.241,18 9.176,19 9.176,20 9.176,21 2,22 12.659,24 -0.304,25 10.027,26 15.489,28 1.098,29 13.75,33 12.03,34 7.034,35 9.408,36 39.339,37 5.595,38 134,39 34,40 3.555,41 4.234,42 6.696,43 3.589,44 3.475,45 8.169,46 2.926,48 8.064,49 6.021,50 0.052,52 6.439,53 0.245,54 8.542,55 8.542,56 1.519,57 3.864,58 3.864,59 15.475,60 103,61 2,62 3.679,63 29.068,64 1,65 3.357,66 6.172,67 6.172,68 4.338,69 65.794,70 5.886}
{0 CHEMBL241468,16 17.306,18 9.52,19 9.52,20 9.52,21 2,22 12.614,24 -0.188,25 10.095,26 15.546,28 1.115,29 13.8,33 12.073,34 7.096,35 9.454,36 39.19,37 5.631,38 139,39 35,40 3.584,41 4.263,42 6.727,43 3.793,44 3.697,45 8.208,46 3.061,48 10.697,49 5.972,50 0.142,52 7.256,53 0.24,54 8.435,55 8.435,56 1.159,57 3.943,58 3.943,59 15.913,60 110,61 2,62 3.839,63 32.955,65 3.449,66 6.278,67 6.278,68 4.681,69 65.794,70 4.523}
{0 CHEMBL241475,16 17.582,18 10.776,19 10.776,20 10.776,21 2,22 12.864,24 -0.097,25 10.324,26 15.78,28 1.213,29 13.998,33 12.238,34 7.273,35 9.647,36 42.34,37 5.659,38 143,39 36,40 3.611,41 4.29,42 6.77,43 3.825,44 3.707,45 8.404,46 2.981,48 10.597,49 5.66,50 0.375,52 8.277,53 0.242,54 7.4,55 7.4,56 1.28,57 4.089,58 4.089,59 17.915,60 118,61 2,62 3.912,63 30.62,65 3.401,66 6.68,67 6.68,68 4.592,69 65.794,70 7.032}
{0 CHEMBL241476,16 17.6,18 10.897,19 10.897,20 10.897,21 2,22 12.796,24 -0.155,25 10.345,26 15.794,28 1.093,29 14.007,33 12.243,34 7.286,35 9.657,36 40.142,37 5.659,38 143,39 36,40 3.611,41 4.29,42 6.77,43 3.969,44 3.812,45 8.411,46 2.982,48 14.656,49 5.751,50 0.12,52 11.038,53 0.242,54 7.721,55 7.721,56 1.292,57 4.103,58 4.103,59 18.078,60 108,61 2,62 4.071,63 31.995,65 3.429,66 6.705,67 6.705,68 4.809,69 65.794,70 6.398}
{0 CHEMBL241477,13 1,15 1,16 17.354,18 10.294,19 10.294,20 10.294,21 2,22 12.689,24 -0.406,25 10.155,26 15.581,28 0.938,29 13.828,33 12.099,34 7.125,35 9.501,36 40.41,37 5.638,38 140,39 36,40 3.611,41 4.29,42 6.749,43 4.008,44 3.839,45 8.26,46 2.99,48 15.202,49 5.432,50 0.051,52 10.791,53 0.242,54 7.189,55 7.189,56 1.033,57 4.021,58 4.021,59 17.096,60 110,61 2,62 4.119,63 31.887,65 3.444,66 6.525,67 6.525,68 4.901,69 65.794,70 4.523}
{0 CHEMBL241497,10 1,12 1,13 1,14 24.968,16 18.076,18 10.616,19 10.616,20 10.616,21 5,22 13.306,24 1.704,25 10.841,26 16.284,28 2.685,29 14.506,33 12.749,34 7.758,35 10.188,36 67.2,37 6.172,38 239,39 60,40 4.111,41 4.796,42 7.28,43 4.536,44 4.418,45 8.934,46 3.336,47 1,48 23.854,49 6.19,50 1.767,52 17.604,53 0.186,54 9.26,55 9.26,56 1.206,57 4.126,58 4.126,59 17.538,60 258,61 2,62 4.499,63 49.773,64 1,65 3.903,66 6.605,67 6.605,68 5.312,69 83.805,70 7.201}
{0 CHEMBL241502,10 1,12 1,13 1,14 12.683,16 17.98,17 1,18 10.616,19 10.616,20 10.616,21 5,22 13.206,24 1.4,25 10.766,26 16.193,28 2.431,29 14.423,33 12.673,34 7.687,35 10.113,36 62.674,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.231,43 4.568,44 4.409,45 8.856,46 3.383,47 1,48 26.934,49 6.19,50 1.754,52 19.337,53 0.19,54 9.26,55 9.26,56 0.94,57 4.126,58 4.126,59 17.538,60 252,62 4.524,63 51.898,65 3.922,66 6.605,67 6.605,68 5.336,69 18.011,70 6.658}
{0 CHEMBL250689,13 3,14 24.355,15 1,16 17.562,17 1,18 9.273,19 9.273,20 9.273,21 4,22 12.746,24 1.415,25 10.428,26 15.826,28 2.418,29 14.102,33 12.395,34 7.383,35 9.799,36 56.248,37 5.984,38 198,39 50,40 3.932,41 4.615,42 7.098,43 4.374,44 4.209,45 8.534,46 3.17,48 23.685,49 5.98,50 1.42,51 1,52 16.451,53 0.201,54 8.499,55 8.499,56 0.795,57 3.901,58 3.901,59 15.654,60 182,62 4.426,63 44.807,65 3.801,66 6.191,67 6.191,68 5.294,69 36.022,70 6}
{0 CHEMBL255429,13 1,14 13.318,16 18.835,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.236,24 1.5,25 11.35,26 16.912,28 2.5,29 15.006,33 13.124,34 8.261,35 10.689,36 61.269,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.287,43 4.323,44 4.164,45 9.402,46 3.164,47 1,48 22.481,49 6.784,50 1.5,51 8,52 15.32,53 0.193,54 11.158,55 11.158,56 1.185,57 4.41,58 4.41,59 20.558,60 154,62 4.511,63 48.421,64 1,65 3.872,66 7.472,67 7.472,68 5.186,70 9.301}
{0 CHEMBL255430,13 1,14 13.318,16 18.835,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.236,24 1.5,25 11.35,26 16.912,28 2.5,29 15.006,33 13.124,34 8.261,35 10.689,36 61.269,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.287,43 4.298,44 4.146,45 9.402,46 3.163,47 1,48 21.678,49 6.784,50 1.5,51 8,52 14.602,53 0.193,54 11.158,55 11.158,56 1.15,57 4.41,58 4.41,59 20.558,60 154,62 4.509,63 48.421,64 1,65 3.872,66 7.472,67 7.472,68 5.182,70 8.699}
{0 CHEMBL255431,13 1,14 13.034,16 18.766,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.159,24 1.5,25 11.279,26 16.843,28 2.5,29 14.939,33 13.059,34 8.197,35 10.628,36 59.481,37 6.107,38 224,39 55,40 4.025,41 4.71,42 7.248,43 4.245,44 4.098,45 9.336,46 3.164,47 1,48 20.067,49 6.781,50 1.5,51 8,52 13.561,53 0.194,54 11.158,55 11.158,56 1.146,57 4.409,58 4.409,59 20.547,60 159,62 4.429,63 45.904,64 1,65 3.824,66 7.472,67 7.472,68 5.099,70 8.187}
{0 CHEMBL255535,13 5,14 13.587,16 18.408,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.011,24 1.218,25 11.065,26 16.555,28 2.241,29 14.716,33 12.897,34 7.923,35 10.378,36 58.655,37 6.094,38 221,39 54,40 4.007,41 4.691,42 7.212,43 4.586,44 4.383,45 9.108,46 3.297,47 1,48 29.748,49 6.614,50 1.334,51 4,52 19.862,53 0.197,54 10.465,55 10.465,56 1.508,57 4.196,58 4.196,59 18.558,60 130,62 4.654,63 47.188,64 3,65 3.838,66 6.872,67 6.872,68 5.475,70 6.013}
{0 CHEMBL255644,13 1,14 13.121,16 18.835,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.236,24 1.5,25 11.35,26 16.912,28 2.5,29 15.006,33 13.124,34 8.261,35 10.689,36 62.004,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.287,43 4.222,44 4.096,45 9.402,46 3.13,47 1,48 17.644,49 6.784,50 1.5,51 8,52 12.569,53 0.193,54 11.158,55 11.158,56 0.751,57 4.409,58 4.409,59 20.558,60 154,62 4.408,63 45.858,64 1,65 3.827,66 7.472,67 7.472,68 4.999,70 9.097}
{0 CHEMBL255645,13 1,14 24.709,16 18.852,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.326,24 1.5,25 11.377,26 16.932,28 2.5,29 15.031,33 13.154,34 8.289,35 10.717,36 64.206,37 6.172,38 239,39 59,40 4.094,41 4.779,42 7.321,43 4.245,44 4.131,45 9.435,46 3.187,47 1,48 17.804,49 6.794,50 1.5,51 8,52 12.941,53 0.191,54 11.158,55 11.158,56 0.645,57 4.409,58 4.409,59 20.56,60 180,62 4.419,63 46.313,64 1,65 3.839,66 7.472,67 7.472,68 5.05,70 9}
{0 CHEMBL255646,13 1,14 25.393,16 18.886,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.35,24 1.5,25 11.4,26 16.965,28 2.5,29 15.061,33 13.181,34 8.31,35 10.74,36 63.974,37 6.176,38 240,39 59,40 4.094,41 4.779,42 7.324,43 4.322,44 4.173,45 9.458,46 3.181,47 1,48 22.512,49 6.858,50 1.5,51 8,52 15.219,53 0.191,54 11.226,55 11.226,56 1.107,57 4.41,58 4.41,59 20.59,60 153,62 4.524,63 48.12,64 2,65 3.868,66 7.472,67 7.472,68 5.229,70 8.745}
{0 CHEMBL255854,13 4,14 13.375,16 18.379,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.137,24 1.5,25 11.068,26 16.541,28 2.5,29 14.717,33 12.915,34 7.945,35 10.388,36 64.292,37 6.176,38 240,39 59,40 4.094,41 4.779,42 7.29,43 4.529,44 4.394,45 9.124,46 3.309,47 1,48 25.444,49 6.531,50 1.621,51 6,52 17.113,53 0.188,54 10.281,55 10.281,56 1.091,57 4.194,58 4.194,59 18.492,60 186,62 4.578,63 49.887,64 3,65 3.893,66 6.872,67 6.872,68 5.371,69 18.011,70 7.276}
{0 CHEMBL255855,13 4,14 13.429,16 18.438,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.161,24 1.5,25 11.108,26 16.593,28 2.5,29 14.763,33 12.952,34 7.982,35 10.424,36 64.307,37 6.18,38 241,39 59,40 4.094,41 4.779,42 7.294,43 4.559,44 4.42,45 9.16,46 3.309,47 1,48 26.259,49 6.531,50 1.621,51 6,52 17.796,53 0.188,54 10.281,55 10.281,56 1.239,57 4.194,58 4.194,59 18.492,60 159,61 1,62 4.585,63 49.887,64 3,65 3.893,66 6.872,67 6.872,68 5.381,69 18.011,70 6.419}
{0 CHEMBL255856,13 1,14 13.278,16 18.835,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.236,24 1.5,25 11.35,26 16.912,28 2.5,29 15.006,33 13.124,34 8.261,35 10.689,36 61.269,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.287,43 4.302,44 4.148,45 9.402,46 3.154,47 1,48 21.765,49 6.784,50 1.5,51 8,52 14.774,53 0.193,54 11.158,55 11.158,56 1.061,57 4.41,58 4.41,59 20.558,60 154,62 4.486,63 47.665,64 1,65 3.857,66 7.472,67 7.472,68 5.163,70 9.046}
{0 CHEMBL255857,13 1,14 25.425,16 18.846,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.376,24 1.317,25 11.371,26 16.935,28 2.427,29 15.042,33 13.175,34 8.299,35 10.731,36 65.719,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.345,43 4.484,44 4.306,45 9.464,46 3.19,48 25.466,49 6.858,50 1.5,51 8,52 18.599,53 0.19,54 11.226,55 11.226,56 1.038,57 4.41,58 4.41,59 20.588,60 170,62 4.629,63 50.529,64 1,65 3.907,66 7.472,67 7.472,68 5.313,70 8.77}
{0 CHEMBL255858,13 1,14 25.395,16 18.886,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.35,24 1.5,25 11.4,26 16.965,28 2.5,29 15.061,33 13.181,34 8.31,35 10.74,36 63.974,37 6.176,38 240,39 59,40 4.094,41 4.779,42 7.324,43 4.318,44 4.171,45 9.458,46 3.18,47 1,48 21.974,49 6.858,50 1.5,51 8,52 14.989,53 0.191,54 11.226,55 11.226,56 1.053,57 4.41,58 4.41,59 20.59,60 153,62 4.504,63 48.12,64 1,65 3.868,66 7.472,67 7.472,68 5.198,70 7.576}
{0 CHEMBL256584,13 5,14 13.315,16 18.342,17 1,18 11.427,19 11.427,20 11.427,21 6,22 12.991,24 1.334,25 11.02,26 16.498,28 2.366,29 14.669,33 12.862,34 7.886,35 10.341,36 61.044,37 6.125,38 228,39 56,40 4.043,41 4.727,42 7.236,43 4.579,44 4.4,45 9.069,46 3.309,47 1,48 28.765,49 6.531,50 1.427,51 6,52 18.836,53 0.192,54 10.281,55 10.281,56 1.337,57 4.194,58 4.194,59 18.492,60 160,62 4.611,63 49.955,64 3,65 3.885,66 6.872,67 6.872,68 5.453,69 18.011,70 7.509}
{0 CHEMBL256792,13 5,14 13.513,16 18.408,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.013,24 1.281,25 11.066,26 16.555,28 2.295,29 14.718,33 12.899,34 7.923,35 10.38,36 59.854,37 6.111,38 225,39 55,40 4.025,41 4.71,42 7.226,43 4.527,44 4.338,45 9.108,46 3.309,47 1,48 27.985,49 6.609,50 1.337,51 6,52 18.488,53 0.195,54 10.441,55 10.441,56 1.535,57 4.194,58 4.194,59 18.557,60 138,62 4.622,63 48.95,64 3,65 3.87,66 6.872,67 6.872,68 5.428,70 6.509}
{0 CHEMBL257000,12 1,13 3,14 25.276,16 18.852,17 1,18 11.676,19 11.676,20 11.676,21 8,22 13.462,24 1.74,25 11.438,26 16.978,28 2.72,29 15.119,33 13.28,34 8.374,35 10.836,36 76.018,37 6.361,38 289,39 72,40 4.29,41 4.977,42 7.504,43 4.639,44 4.522,45 9.577,46 3.396,47 1,48 27.997,49 6.927,50 1.879,51 6,52 19.362,53 0.176,54 11.657,55 11.657,56 0.893,57 4.241,58 4.241,59 18.919,60 249,62 4.648,63 53.461,64 3,65 4.002,66 7.111,67 7.111,68 5.482,69 18.011,70 9.398}
{0 CHEMBL257081,13 4,14 13.301,16 18.363,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.124,24 1.5,25 11.046,26 16.523,28 2.5,29 14.7,33 12.897,34 7.926,35 10.372,36 62.78,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.272,43 4.517,44 4.367,45 9.108,46 3.31,47 1,48 25.579,49 6.531,50 1.5,51 6,52 17.094,53 0.191,54 10.281,55 10.281,56 1.287,57 4.194,58 4.194,59 18.492,60 187,62 4.568,63 49.432,64 3,65 3.884,66 6.872,67 6.872,68 5.353,69 18.011,70 8.398}
{0 CHEMBL257728,13 4,14 13.327,16 18.366,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.125,24 1.5,25 11.052,26 16.526,28 2.5,29 14.702,33 12.899,34 7.926,35 10.375,36 62.744,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.272,43 4.54,44 4.387,45 9.112,46 3.309,47 1,48 26.182,49 6.531,50 1.621,51 6,52 17.581,53 0.191,54 10.281,55 10.281,56 1.276,57 4.194,58 4.194,59 18.492,60 158,62 4.57,63 49.432,64 3,65 3.884,66 6.872,67 6.872,68 5.348,69 18.011,70 7.538}
{0 CHEMBL261935,13 3,14 61.359,16 18.792,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.516,24 1.614,25 11.24,26 16.868,28 2.614,29 14.969,33 13.101,34 8.191,35 10.647,36 72.907,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.363,43 4.768,44 4.604,45 9.365,46 3.464,48 33.76,49 6.447,50 1.708,51 4,52 24.923,53 0.18,54 9.928,55 9.928,56 1.36,57 4.361,58 4.361,59 21.324,60 288,62 4.756,63 55.858,64 5,65 4.015,66 7.641,67 7.641,68 5.572,70 5.638}
{0 CHEMBL261950,13 1,14 25.313,16 19.084,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.505,24 1.311,25 11.54,26 17.155,28 2.412,29 15.241,33 13.347,34 8.516,35 10.952,36 67.051,37 6.205,38 247,39 62,40 4.143,41 4.828,42 7.372,43 4.373,44 4.268,45 9.692,46 3.199,48 23.751,49 7.111,50 1.5,51 4,52 16.304,53 0.194,54 11.66,55 11.66,56 0.9,57 4.41,58 4.41,59 20.589,60 180,62 4.527,63 47.904,64 1,65 3.872,66 7.472,67 7.472,68 5.385,70 8.42}
{0 CHEMBL262402,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.405,15 1,16 18.775,17 2,18 12.75,19 12.75,20 12.75,21 6,22 13.438,23 2,24 2.015,25 11.391,26 16.9,27 1,28 2.86,29 15.048,30 1,31 1,32 1,33 13.222,34 8.324,35 10.78,36 80.98,37 6.409,38 303,39 76,40 4.344,41 5.03,42 7.541,43 4.863,44 4.722,45 9.513,46 3.591,47 1,48 37.06,49 6.559,50 2.1,51 1,52 25.969,53 0.169,54 10.426,55 10.426,56 0.855,57 4.42,58 4.42,59 20.393,60 356,61 1,62 4.874,63 62.836,65 4.139,66 7.371,67 7.371,68 5.711,69 42.683,70 9.398}
{0 CHEMBL262663,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 2,10 1,11 1,12 1,13 5,14 12.133,15 1,16 18.355,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.184,23 2,24 1.617,25 11.08,26 16.536,27 1,28 2.606,29 14.732,30 1,31 1,32 1,33 12.949,34 7.984,35 10.41,36 68.482,37 6.244,38 257,39 64,40 4.174,41 4.86,42 7.365,43 4.711,44 4.57,45 9.16,46 3.456,47 1,48 32.084,49 6.549,50 1.757,51 1,52 22.285,53 0.184,54 10.394,55 10.394,56 0.789,57 4.167,58 4.167,59 17.904,60 254,61 1,62 4.718,63 53.552,65 3.977,66 6.728,67 6.728,68 5.582,69 85.367,70 9.222}
{0 CHEMBL263529,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.373,15 1,16 18.785,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.377,23 2,24 1.667,25 11.378,26 16.907,27 1,28 2.637,29 15.048,30 1,31 1,32 1,33 13.213,34 8.321,35 10.769,36 73.909,37 6.323,38 278,39 70,40 4.263,41 4.949,42 7.462,43 4.839,44 4.691,45 9.515,46 3.49,47 1,48 36.588,49 6.559,50 1.798,51 1,52 25.04,53 0.18,54 10.426,55 10.426,56 0.783,57 4.42,58 4.42,59 20.393,60 284,61 1,62 4.82,63 60.143,65 4.075,66 7.371,67 7.371,68 5.704,69 42.683,70 9.222}
{0 CHEMBL263555,13 2,14 13.206,16 19.088,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.39,24 1.279,25 11.545,26 17.158,28 2.387,29 15.242,33 13.345,34 8.521,35 10.953,36 61.706,37 6.172,38 239,39 60,40 4.111,41 4.796,42 7.347,43 4.326,44 4.218,45 9.694,46 3.129,48 21.878,49 7.111,50 1.5,51 4,52 15.725,53 0.199,54 11.66,55 11.66,56 0.76,57 4.416,58 4.416,59 20.693,60 172,62 4.472,63 47.001,64 2,65 3.84,66 7.475,67 7.475,68 5.264,70 8.284}
{0 CHEMBL263787,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.325,15 1,16 18.391,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.208,23 3,24 1.757,25 11.124,26 16.572,27 1,28 2.678,29 14.768,30 1,31 1,32 1,33 12.985,34 8.019,35 10.445,36 72.053,37 6.297,38 271,39 67,40 4.22,41 4.905,42 7.409,43 4.813,44 4.669,45 9.189,46 3.477,47 1,48 35.773,49 6.549,50 1.778,51 1,52 24.527,53 0.178,54 10.394,55 10.394,56 0.801,57 4.173,58 4.173,59 17.99,60 292,61 1,62 4.833,63 58.836,65 4.056,66 6.747,67 6.747,68 5.686,69 42.683,70 9.097}
{0 CHEMBL264442,13 3,14 13.278,16 18.458,17 2,18 10.981,19 10.981,20 10.981,21 7,22 13.272,24 1.501,25 11.143,26 16.634,28 2.518,29 14.823,33 13.03,34 8.042,35 10.467,36 71.328,37 6.286,38 268,39 66,40 4.205,41 4.89,42 7.418,43 4.415,44 4.249,45 9.214,46 3.264,48 25.627,49 6.591,50 1.639,51 4,52 17.585,53 0.18,54 10.336,55 10.336,56 0.918,57 4.15,58 4.15,59 18.137,60 231,62 4.565,63 54.609,64 2,65 4.002,66 6.786,67 6.786,68 5.329,70 7.745}
{0 CHEMBL264659,12 1,13 1,14 27.075,16 18.224,18 10.394,19 10.394,20 10.394,21 6,22 13.364,24 1.83,25 10.989,26 16.435,28 2.809,29 14.661,33 12.906,34 7.901,35 10.319,36 85.297,37 6.392,38 298,39 74,40 4.317,41 5.004,42 7.478,43 4.929,44 4.78,45 9.051,46 3.561,47 1,48 38.596,49 6.218,50 1.854,52 27.529,53 0.163,54 9.301,55 9.301,56 1.065,57 4.08,58 4.08,59 17.337,60 494,62 4.955,63 70.285,64 1,65 4.22,66 6.55,67 6.55,68 5.721,69 18.011,70 7.174}
{0 CHEMBL264832,13 2,14 49.294,16 18.516,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.418,24 1.5,25 11.085,26 16.661,28 2.5,29 14.823,33 13.007,34 8.098,35 10.528,36 69.537,37 6.196,38 245,39 62,40 4.143,41 4.828,42 7.336,43 4.576,44 4.422,45 9.287,46 3.409,48 25.623,49 6.618,50 1.608,51 2,52 19.406,53 0.188,54 10.481,55 10.481,56 1.141,57 4.254,58 4.254,59 18.854,60 285,62 4.592,63 53.671,64 4,65 3.96,66 7.111,67 7.111,68 5.37,69 18.011,70 8.151}
{0 CHEMBL265131,13 2,14 60.478,15 2,16 18.92,17 1,18 11.661,19 11.661,20 11.661,21 4,22 13.795,24 1.5,25 11.408,26 17.025,28 2.5,29 15.145,33 13.284,34 8.431,35 10.872,36 74.807,37 6.267,38 263,39 67,40 4.22,41 4.905,42 7.428,43 4.652,44 4.509,45 9.628,46 3.552,48 28.959,49 7.111,50 2.027,51 4,52 23.303,53 0.185,54 11.657,55 11.657,56 0.888,57 4.195,58 4.195,59 18.993,60 250,62 4.653,63 53.921,64 3,65 4.002,66 7.111,67 7.111,68 5.493,70 7.699}
{0 CHEMBL265723,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.317,15 1,16 18.558,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.342,23 3,24 1.778,25 11.265,26 16.733,27 1,28 2.723,29 14.923,30 1,31 1,32 1,33 13.131,34 8.255,35 10.664,36 76.985,37 6.361,38 289,39 73,40 4.304,41 4.99,42 7.493,43 4.799,44 4.668,45 9.429,46 3.478,47 1,48 34.946,49 6.549,50 2.06,51 1,52 24.309,53 0.174,54 10.394,55 10.394,56 0.526,57 4.173,58 4.173,59 17.99,60 327,61 1,62 4.81,63 58.648,65 4.076,66 6.747,67 6.747,68 5.669,69 42.683,70 9.301}
{0 CHEMBL267576,11 16,13 36,14 14.49,16 20.47,18 17.469,19 17.469,20 17.469,21 12,22 14.283,24 2.432,25 12.864,26 18.47,28 3.418,29 16.496,33 14.55,34 9.702,35 12.176,36 175.167,37 7.228,38 688,39 168,40 5.13,41 5.82,42 8.398,43 5.886,44 5.805,45 10.872,46 3.653,48 106.72,49 8.126,50 2.482,52 70.844,53 0.121,54 15.633,55 15.633,56 0.976,57 4.913,58 4.913,59 26.684,60 1072,61 29,62 5.857,63 125.944,64 7,65 4.832,66 8.546,67 8.546,68 6.987,69 682.933,70 5.292}
{0 CHEMBL26790,13 1,14 25.733,16 18.93,17 1,18 14.086,19 14.086,20 14.086,21 7,22 13.372,24 1.884,25 11.471,26 17.001,28 2.81,29 15.096,33 13.221,34 8.37,35 10.805,36 71.964,37 6.286,38 268,39 66,40 4.205,41 4.89,42 7.425,43 4.643,44 4.479,45 9.51,46 3.358,48 28.654,49 6.908,50 1.946,51 4,52 21.007,53 0.179,54 11.591,55 11.591,56 0.964,57 4.517,58 4.517,59 21.633,60 219,62 4.693,63 52.591,64 2,65 3.977,66 7.657,67 7.657,68 5.431,69 18.011,70 4.7}
{0 CHEMBL271075,13 4,14 13.284,16 18.366,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.125,24 1.5,25 11.052,26 16.526,28 2.5,29 14.702,33 12.899,34 7.926,35 10.375,36 62.862,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.272,43 4.525,44 4.371,45 9.112,46 3.309,47 1,48 25.513,49 6.531,50 1.621,51 6,52 17.634,53 0.191,54 10.281,55 10.281,56 1.143,57 4.194,58 4.194,59 18.492,60 158,62 4.562,63 48.529,64 3,65 3.869,66 6.872,67 6.872,68 5.327,69 18.011,70 7.824}
{0 CHEMBL271076,13 4,14 13.31,16 18.418,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.148,24 1.5,25 11.085,26 16.574,28 2.5,29 14.744,33 12.934,34 7.958,35 10.408,36 63.081,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.276,43 4.533,44 4.376,45 9.145,46 3.309,47 1,48 25.607,49 6.531,50 1.621,51 6,52 17.803,53 0.191,54 10.281,55 10.281,56 1.258,57 4.194,58 4.194,59 18.492,60 156,62 4.578,63 48.529,64 3,65 3.869,66 6.872,67 6.872,68 5.33,69 18.011,70 7}
{0 CHEMBL272064,13 4,14 13.378,16 18.493,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.223,24 1.5,25 11.148,26 16.648,28 2.5,29 14.816,33 13.003,34 8.023,35 10.473,36 65.46,37 6.192,38 244,39 60,40 4.111,41 4.796,42 7.314,43 4.567,44 4.412,45 9.217,46 3.309,47 1,48 25.773,49 6.531,50 1.625,51 6,52 18.439,53 0.189,54 10.281,55 10.281,56 1.13,57 4.194,58 4.194,59 18.492,60 159,62 4.595,63 49.387,64 3,65 3.887,66 6.872,67 6.872,68 5.337,69 18.011,70 7.319}
{0 CHEMBL272490,13 4,14 13.216,16 18.342,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.068,24 1.5,25 11.02,26 16.498,28 2.5,29 14.669,33 12.862,34 7.886,35 10.341,36 61.044,37 6.125,38 228,39 56,40 4.043,41 4.727,42 7.236,43 4.49,44 4.333,45 9.069,46 3.309,47 1,48 25.244,49 6.531,50 1.5,51 6,52 16.91,53 0.192,54 10.281,55 10.281,56 1.307,57 4.194,58 4.194,59 18.492,60 160,62 4.544,63 47.671,64 3,65 3.852,66 6.872,67 6.872,68 5.319,69 18.011,70 7.699}
{0 CHEMBL272556,13 5,14 13.203,16 18.342,17 1,18 11.427,19 11.427,20 11.427,21 6,22 12.992,24 1.241,25 11.019,26 16.497,28 2.258,29 14.668,33 12.86,34 7.886,35 10.34,36 59.491,37 6.107,38 224,39 55,40 4.025,41 4.71,42 7.213,43 4.523,44 4.342,45 9.079,46 3.309,47 1,48 27.465,49 6.531,50 1.335,51 6,52 17.902,53 0.195,54 10.281,55 10.281,56 1.361,57 4.194,58 4.194,59 18.492,60 136,62 4.583,63 48.194,64 3,65 3.853,66 6.872,67 6.872,68 5.416,69 18.011,70 7.108}
{0 CHEMBL272581,13 4,14 13.22,16 18.339,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.068,24 1.5,25 11.015,26 16.496,28 2.5,29 14.668,33 12.863,34 7.886,35 10.339,36 62.412,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.251,43 4.52,44 4.371,45 9.066,46 3.311,47 1,48 25.493,49 6.531,50 1.5,51 6,52 17.06,53 0.19,54 10.281,55 10.281,56 1.416,57 4.194,58 4.194,59 18.492,60 183,62 4.545,63 49.432,64 3,65 3.884,66 6.872,67 6.872,68 5.336,69 18.011,70 6.491}
{0 CHEMBL272716,13 4,14 13.268,16 18.363,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.124,24 1.5,25 11.046,26 16.523,28 2.5,29 14.7,33 12.897,34 7.926,35 10.372,36 63.047,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.272,43 4.509,44 4.355,45 9.108,46 3.309,47 1,48 25.367,49 6.531,50 1.5,51 6,52 17.359,53 0.191,54 10.281,55 10.281,56 1.195,57 4.194,58 4.194,59 18.492,60 187,62 4.554,63 48.529,64 3,65 3.869,66 6.872,67 6.872,68 5.322,69 18.011,70 8.398}
{0 CHEMBL275998,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.332,15 1,16 18.237,17 2,18 10.707,19 10.707,20 10.707,21 5,22 12.978,23 4,24 1.425,25 10.984,26 16.426,27 2,28 2.431,29 14.63,30 1,31 1,33 12.854,34 7.877,35 10.309,36 65.959,37 6.205,38 247,39 61,40 4.127,41 4.812,42 7.352,43 4.676,44 4.522,45 9.043,46 3.398,48 32.674,49 6.509,50 1.667,51 5,52 22.075,53 0.184,54 10.226,55 10.226,56 0.792,57 4.146,58 4.146,59 17.669,60 210,61 1,62 4.763,63 52.557,64 4,65 3.949,66 6.636,67 6.636,68 5.636,69 42.683,70 7}
{0 CHEMBL277279,13 1,14 13.303,15 1,16 19.266,17 1,18 14.308,19 14.308,20 14.308,21 6,22 13.613,24 1.698,25 11.701,26 17.314,28 2.65,29 15.379,33 13.468,34 8.694,35 11.145,36 70.346,37 6.297,38 271,39 69,40 4.248,41 4.934,42 7.47,43 4.403,44 4.325,45 9.87,46 3.247,48 20.137,49 7.183,50 1.766,52 16.144,53 0.183,54 11.963,55 11.963,56 0.792,57 4.562,58 4.562,59 22.154,60 230,62 4.359,63 46.972,65 3.924,66 7.716,67 7.716,68 5.211,69 18.011,70 7.523}
{0 CHEMBL277930,13 2,14 13.766,16 18.62,18 12.697,19 12.697,20 12.697,21 8,22 13.219,24 1,25 11.254,26 16.728,28 2,29 14.854,33 13.006,34 8.192,35 10.582,36 60.945,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.27,43 4.538,44 4.332,45 9.301,46 3.257,48 29.306,49 6.986,50 1.439,51 4,52 21.412,53 0.193,54 11.907,55 11.907,56 0.885,57 4.291,58 4.291,59 20.233,60 176,62 4.624,63 48.722,65 3.883,66 7.214,67 7.214,68 5.418,69 18.011,70 6}
{0 CHEMBL278085,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.257,15 1,16 17.954,17 2,18 10.707,19 10.707,20 10.707,21 5,22 12.798,23 4,24 1.178,25 10.74,26 16.164,27 2,28 2.201,29 14.39,30 1,31 1,32 1,33 12.637,34 7.639,35 10.097,36 60.962,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.255,43 4.629,44 4.47,45 8.815,46 3.351,48 30.626,49 6.322,50 1.5,51 1,52 21.652,53 0.189,54 9.499,55 9.499,56 0.719,57 4.146,58 4.146,59 17.667,60 232,61 1,62 4.658,63 50.847,65 3.929,66 6.636,67 6.636,68 5.498,69 42.683,70 9.301}
{0 CHEMBL278117,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 24.873,15 2,16 18.091,17 2,18 10.707,19 10.707,20 10.707,21 5,22 12.975,23 4,24 1.5,25 10.856,26 16.3,27 2,28 2.5,29 14.525,30 1,31 1,32 1,33 12.768,34 7.776,35 10.215,36 67.03,37 6.176,38 240,39 60,40 4.111,41 4.796,42 7.327,43 4.636,44 4.482,45 8.956,46 3.377,48 30.548,49 6.322,50 1.67,51 1,52 22.497,53 0.186,54 9.499,55 9.499,56 0.755,57 4.146,58 4.146,59 17.667,60 253,61 1,62 4.657,63 51.126,65 3.95,66 6.636,67 6.636,68 5.502,69 42.683,70 9.35}
{0 CHEMBL278383,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.218,15 2,16 18.85,17 2,18 13.983,19 13.983,20 13.983,21 6,22 13.224,23 4,24 1.5,25 11.4,26 16.929,27 1,28 2.5,29 15.033,30 1,31 1,32 1,33 13.169,34 8.349,35 10.757,36 70.794,37 6.279,38 266,39 66,40 4.205,41 4.89,42 7.407,43 4.671,44 4.523,45 9.483,46 3.454,48 32.231,49 6.636,50 1.676,51 3,52 23.01,53 0.179,54 10.708,55 10.708,56 0.805,57 4.491,58 4.491,59 21.384,60 232,61 1,62 4.732,63 52.694,64 1,65 3.991,66 7.642,67 7.642,68 5.587,69 42.683,70 8.432}
{0 CHEMBL279992,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.338,15 1,16 18.763,17 2,18 11.657,19 11.657,20 11.657,21 5,22 13.388,23 3,24 1.778,25 11.364,26 16.897,27 1,28 2.723,29 15.048,30 1,31 1,32 1,33 13.22,34 8.323,35 10.763,36 74.78,37 6.34,38 283,39 71,40 4.277,41 4.963,42 7.477,43 4.85,44 4.7,45 9.516,46 3.5,47 1,48 37.397,49 6.747,50 1.985,51 1,52 25.6,53 0.178,54 10.988,55 10.988,56 0.782,57 4.314,58 4.314,59 18.66,60 273,61 1,62 4.845,63 61.904,65 4.1,66 7.111,67 7.111,68 5.72,69 42.683,70 9.523}
{0 CHEMBL280344,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 37.917,15 2,16 18.679,17 2,18 12.407,19 12.407,20 12.407,21 5,22 13.41,23 4,24 1.5,25 11.249,26 16.792,27 2,28 2.5,29 14.925,30 1,31 1,32 1,33 13.084,34 8.202,35 10.643,36 70.452,37 6.236,38 255,39 64,40 4.174,41 4.86,42 7.372,43 4.704,44 4.555,45 9.375,46 3.508,48 32.357,49 6.774,50 1.668,51 1,52 23.605,53 0.183,54 11.112,55 11.112,56 0.775,57 4.238,58 4.238,59 19.573,60 263,61 1,62 4.715,63 53.341,64 1,65 3.995,66 7.293,67 7.293,68 5.565,69 42.683,70 8.959}
{0 CHEMBL281176,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.019,15 2,16 18.044,17 2,18 10.919,19 10.919,20 10.919,21 4,22 12.848,23 2,24 1.218,25 10.78,26 16.236,27 1,28 2.231,29 14.446,30 1,31 1,32 1,33 12.678,34 7.703,35 10.12,36 61.961,37 6.066,38 215,39 54,40 4.007,41 4.691,42 7.182,43 4.558,44 4.405,45 8.866,46 3.252,48 27.801,49 6.459,50 1.5,51 1,52 20.551,53 0.197,54 9.924,55 9.924,56 0.691,57 4.167,58 4.167,59 17.902,60 230,61 1,62 4.545,63 47.91,65 3.862,66 6.728,67 6.728,68 5.424,69 42.683,70 9.097}
{0 CHEMBL281607,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.255,15 2,16 17.985,17 2,18 10.707,19 10.707,20 10.707,21 5,22 12.871,23 4,24 1.225,25 10.775,26 16.199,27 2,28 2.24,29 14.43,30 1,31 1,32 1,33 12.682,34 7.689,35 10.136,36 62.991,37 6.142,38 232,39 58,40 4.078,41 4.762,42 7.29,43 4.628,44 4.477,45 8.866,46 3.353,48 30.41,49 6.322,50 1.5,51 1,52 21.684,53 0.188,54 9.499,55 9.499,56 0.667,57 4.146,58 4.146,59 17.667,60 256,61 1,62 4.657,63 50.785,65 3.937,66 6.636,67 6.636,68 5.504,69 42.683,70 9.097}
{0 CHEMBL282921,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.477,15 1,16 18.662,17 2,18 12.407,19 12.407,20 12.407,21 5,22 13.102,23 4,24 1.5,25 11.223,26 16.77,27 2,28 2.5,29 14.899,30 2,31 1,32 1,33 13.053,34 8.172,35 10.617,36 66.749,37 6.209,38 248,39 62,40 4.143,41 4.828,42 7.34,43 4.694,44 4.533,45 9.342,46 3.348,48 32.544,49 6.774,50 1.5,51 3,52 22.719,53 0.184,54 11.107,55 11.107,56 0.892,57 4.282,58 4.282,59 19.573,60 250,61 1,62 4.705,63 52.484,65 3.973,66 7.293,67 7.293,68 5.555,69 42.683,70 9.523}
{0 CHEMBL283788,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 6,14 24.673,15 2,16 18.239,17 2,18 10.708,19 10.708,20 10.708,21 5,22 13.046,23 4,24 1.5,25 10.977,26 16.436,27 1,28 2.5,29 14.648,30 1,31 1,32 1,33 12.879,34 7.93,35 10.33,36 69.301,37 6.229,38 253,39 63,40 4.159,41 4.844,42 7.345,43 4.679,44 4.54,45 9.091,46 3.418,48 31.737,49 6.445,50 1.679,51 1,52 22.797,53 0.183,54 9.913,55 9.913,56 0.779,57 4.147,58 4.147,59 17.669,60 232,61 1,62 4.731,63 52.694,64 1,65 3.978,66 6.636,67 6.636,68 5.583,69 42.683,70 8.824}
{0 CHEMBL284010,1 3,2 1,3 1,4 2,5 2,6 4,7 2,8 2,9 2,11 2,13 6,14 24.056,15 2,16 18.219,17 2,18 10.708,19 10.708,20 10.708,21 5,22 13.032,23 7,24 1.5,25 10.955,26 16.417,27 3,28 2.5,29 14.629,30 1,31 3,32 2,33 12.861,34 7.912,35 10.313,36 67.674,37 6.209,38 248,39 62,40 4.143,41 4.828,42 7.328,43 4.611,44 4.477,45 9.077,46 3.407,48 29.392,49 6.405,50 1.678,51 1,52 21.206,53 0.185,54 9.746,55 9.746,56 0.707,57 4.147,58 4.147,59 17.669,60 234,61 1,62 4.66,63 50.932,65 3.953,66 6.636,67 6.636,68 5.517,69 85.367,70 7.292}
{0 CHEMBL284380,13 2,14 39.681,16 19.307,17 1,18 14.483,19 14.483,20 14.483,21 7,22 13.651,24 1.5,25 11.722,26 17.323,28 2.5,29 15.358,33 13.418,34 8.609,35 11.096,36 66.108,37 6.213,38 249,39 61,40 4.127,41 4.812,42 7.367,43 4.473,44 4.323,45 9.782,46 3.362,48 22.73,49 7.672,50 1.5,51 1,52 18.487,53 0.189,54 13.653,55 13.653,56 1.262,57 4.578,58 4.578,59 22.557,60 153,62 4.507,63 47.091,64 3,65 3.896,66 7.748,67 7.748,68 5.217,70 5.456}
{0 CHEMBL284487,13 2,14 26.892,16 19.264,17 1,18 14.308,19 14.308,20 14.308,21 7,22 13.595,24 1.5,25 11.67,26 17.278,28 2.5,29 15.311,33 13.37,34 8.568,35 11.046,36 64.915,37 6.18,38 241,39 59,40 4.094,41 4.779,42 7.331,43 4.463,44 4.308,45 9.732,46 3.356,48 22.654,49 7.672,50 1.5,51 1,52 18.308,53 0.191,54 13.653,55 13.653,56 1.427,57 4.548,58 4.548,59 22.382,60 157,62 4.502,63 46.637,64 3,65 3.879,66 7.716,67 7.716,68 5.196,70 5}
{0 CHEMBL287515,13 2,14 26.892,16 19.264,17 1,18 14.308,19 14.308,20 14.308,21 7,22 13.595,24 1.5,25 11.67,26 17.278,28 2.5,29 15.311,33 13.37,34 8.568,35 11.046,36 64.915,37 6.18,38 241,39 59,40 4.094,41 4.779,42 7.331,43 4.463,44 4.308,45 9.732,46 3.356,48 22.654,49 7.672,50 1.5,51 1,52 18.308,53 0.191,54 13.653,55 13.653,56 1.427,57 4.548,58 4.548,59 22.382,60 157,62 4.502,63 46.637,64 3,65 3.879,66 7.716,67 7.716,68 5.196,70 5}
{0 CHEMBL292345,14 13.002,16 18.388,18 12.532,19 12.532,20 12.532,21 5,22 13.163,24 0.881,25 11.007,26 16.514,28 2.021,29 14.659,33 12.827,34 8.034,35 10.385,36 54.048,37 6.004,38 202,39 50,40 3.932,41 4.615,42 7.14,43 4.035,44 3.891,45 9.122,46 3.089,48 15.898,49 6.332,50 1.5,52 10.989,53 0.204,54 9.72,55 9.72,56 1.115,57 4.247,58 4.247,59 19.01,60 147,62 4.206,63 45.029,65 3.794,66 7.193,67 7.193,68 4.855,69 18.011,70 6.076}
{0 CHEMBL292548,13 1,14 13.193,16 18.502,18 12.506,19 12.506,20 12.506,21 6,22 13.254,24 1.5,25 11.076,26 16.624,28 2.5,29 14.766,33 12.936,34 8.05,35 10.492,36 62.646,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.272,43 4.232,44 4.114,45 9.221,46 3.305,48 18.559,49 6.321,50 1.5,51 4,52 13.264,53 0.19,54 9.687,55 9.687,56 0.859,57 4.31,58 4.31,59 19.838,60 196,62 4.319,63 48.699,65 3.888,66 7.307,67 7.307,68 5.062,69 18.011,70 8.854}
{0 CHEMBL292625,13 1,14 13.167,16 18.636,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.079,24 1,25 11.138,26 16.714,28 2,29 14.813,33 12.94,34 8.093,35 10.517,36 52.567,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.127,43 4.098,44 3.912,45 9.243,46 3.101,48 18.033,49 6.784,50 1,51 8,52 13.384,53 0.211,54 10.975,55 10.975,56 1.149,57 4.408,58 4.408,59 20.542,60 160,62 4.248,63 43.006,64 1,65 3.737,66 7.472,67 7.472,68 4.952,69 18.011,70 8.407}
{0 CHEMBL292894,13 1,14 12.881,16 18.703,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.078,24 1.5,25 11.215,26 16.778,28 2.5,29 14.872,33 12.992,34 8.136,35 10.569,36 57.865,37 6.071,38 216,39 53,40 3.989,41 4.673,42 7.207,43 4.244,44 4.088,45 9.27,46 3.166,47 1,48 19.915,49 6.781,50 1.5,51 8,52 13.769,53 0.196,54 11.158,55 11.158,56 1.38,57 4.409,58 4.409,59 20.533,60 164,62 4.427,63 45.654,64 1,65 3.823,66 7.472,67 7.472,68 5.067,70 6.344}
{0 CHEMBL293393,13 1,14 13.24,16 18.515,18 12.506,19 12.506,20 12.506,21 6,22 13.267,24 1.5,25 11.096,26 16.639,28 2.5,29 14.783,33 12.954,34 8.067,35 10.508,36 65.377,37 6.176,38 240,39 60,40 4.111,41 4.796,42 7.303,43 4.274,44 4.173,45 9.234,46 3.305,48 18.539,49 6.321,50 1.5,51 4,52 13.366,53 0.186,54 9.688,55 9.688,56 0.835,57 4.31,58 4.31,59 19.838,60 249,62 4.345,63 50.915,65 3.927,66 7.307,67 7.307,68 5.077,69 18.011,70 8.745}
{0 CHEMBL293882,14 13.041,16 18.263,18 11.901,19 11.901,20 11.901,21 6,22 13.151,24 1.5,25 10.938,26 16.415,28 2.5,29 14.584,33 12.775,34 7.936,35 10.344,36 57.347,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.18,43 4.103,44 3.953,45 9.072,46 3.271,48 16.905,49 6.332,50 1.5,52 11.78,53 0.196,54 9.72,55 9.72,56 1.132,57 4.204,58 4.204,59 18.38,60 156,62 4.238,63 46.029,65 3.838,66 6.993,67 6.993,68 4.906,69 18.011,70 6.42}
{0 CHEMBL293900,12 1,13 1,14 13.379,16 18.857,17 1,18 13.189,19 13.189,20 13.189,21 7,22 13.341,24 1.5,25 11.387,26 16.937,28 2.5,29 15.035,33 13.157,34 8.292,35 10.727,36 64.509,37 6.201,38 246,39 60,40 4.111,41 4.796,42 7.338,43 4.35,44 4.192,45 9.435,46 3.311,47 2,48 22.463,49 6.781,50 1.5,51 8,52 15.457,53 0.186,54 11.158,55 11.158,56 1.261,57 4.409,58 4.409,59 20.623,60 149,62 4.528,63 48.66,64 1,65 3.901,66 7.472,67 7.472,68 5.192,69 16.786,70 6.991}
{0 CHEMBL294271,12 1,13 1,14 13.245,16 18.846,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.368,24 1.134,25 11.361,26 16.926,28 2.237,29 15.024,33 13.146,34 8.284,35 10.72,36 59.026,37 6.12,38 227,39 56,40 4.043,41 4.727,42 7.272,43 4.22,44 4.032,45 9.446,46 3.165,47 1,48 21.887,49 6.784,50 1.273,51 8,52 14.627,53 0.199,54 11.065,55 11.065,56 1.192,57 4.408,58 4.408,59 20.543,60 136,61 1,62 4.4,63 46.421,64 1,65 3.829,66 7.472,67 7.472,68 5.18,69 18.011,70 6.912}
{0 CHEMBL294501,11 1,14 13.093,16 18.143,18 11.044,19 11.044,20 11.044,21 5,22 13.17,24 1.456,25 10.854,26 16.325,28 2.457,29 14.522,33 12.738,34 7.888,35 10.287,36 57.305,37 6.038,38 209,39 53,40 3.989,41 4.673,42 7.166,43 4.159,44 4.051,45 9.043,46 3.222,48 16.622,49 6.321,50 1.5,51 2,52 11.942,53 0.199,54 9.687,55 9.687,56 0.904,57 4.13,58 4.13,59 17.537,60 212,62 4.237,63 45.938,65 3.817,66 6.741,67 6.741,68 4.97,69 60.694,70 8.167}
{0 CHEMBL294788,13 1,14 13.165,16 18.496,18 12.477,19 12.477,20 12.477,21 5,22 13.244,24 1.5,25 11.059,26 16.617,28 2.5,29 14.758,33 12.924,34 8.05,35 10.474,36 58.661,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.217,43 4.244,44 4.106,45 9.217,46 3.25,48 19.447,49 6.321,50 1.5,52 13.627,53 0.198,54 9.687,55 9.687,56 1.097,57 4.305,58 4.305,59 19.738,60 186,62 4.327,63 49.006,65 3.869,66 7.304,67 7.304,68 5.075,69 18.011,70 8.481}
{0 CHEMBL301454,13 1,14 13.338,16 18.777,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.215,24 1.5,25 11.296,26 16.859,28 2.5,29 14.962,33 13.089,34 8.222,35 10.652,36 62.529,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.296,43 4.499,44 4.316,45 9.367,46 3.18,48 27.631,49 6.784,50 1.5,51 8,52 18.921,53 0.19,54 10.975,55 10.975,56 1.285,57 4.409,58 4.409,59 20.555,60 163,62 4.651,63 50.938,64 1,65 3.919,66 7.472,67 7.472,68 5.375,70 7.878}
{0 CHEMBL303503,13 3,14 39.649,16 19.082,17 2,18 13.626,19 13.626,20 13.626,21 7,22 13.708,24 1.607,25 11.562,26 17.162,28 2.613,29 15.261,33 13.384,34 8.469,35 10.927,36 77.407,37 6.358,38 288,39 71,40 4.277,41 4.963,42 7.509,43 4.389,44 4.252,45 9.658,46 3.431,48 21.646,49 6.786,50 1.998,51 4,52 17.268,53 0.178,54 10.981,55 10.981,56 0.945,57 4.385,58 4.385,59 21.632,60 232,62 4.518,63 53.597,64 3,65 4.005,66 7.668,67 7.668,68 5.218,70 7.31}
{0 CHEMBL303964,14 13.04,16 18.285,18 11.903,19 11.903,20 11.903,21 6,22 13.202,24 1.5,25 10.965,26 16.442,28 2.5,29 14.616,33 12.812,34 7.974,35 10.377,36 57.828,37 6.066,38 215,39 54,40 4.007,41 4.691,42 7.212,43 4.115,44 3.968,45 9.113,46 3.194,48 17.041,49 6.333,50 1.5,52 11.877,53 0.197,54 9.723,55 9.723,56 1.103,57 4.208,58 4.208,59 18.382,60 170,62 4.234,63 46.029,65 3.838,66 6.994,67 6.994,68 4.913,69 18.011,70 6.62}
{0 CHEMBL304931,13 1,14 26.121,16 18.88,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.288,24 1.5,25 11.398,26 16.962,28 2.5,29 15.061,33 13.184,34 8.31,35 10.737,36 66.957,37 6.209,38 248,39 61,40 4.127,41 4.812,42 7.351,43 4.453,44 4.299,45 9.454,46 3.335,47 1,48 24.404,49 6.781,50 1.615,51 8,52 16.81,53 0.187,54 11.158,55 11.158,56 1.388,57 4.409,58 4.409,59 20.663,60 173,62 4.609,63 51.637,64 2,65 3.933,66 7.472,67 7.472,68 5.292,70 7}
{0 CHEMBL305026,13 3,14 39.841,16 19.082,17 2,18 13.626,19 13.626,20 13.626,21 7,22 13.708,24 1.607,25 11.562,26 17.162,28 2.613,29 15.261,33 13.384,34 8.469,35 10.927,36 76.688,37 6.358,38 288,39 71,40 4.277,41 4.963,42 7.509,43 4.453,44 4.294,45 9.658,46 3.431,48 25.406,49 6.786,50 1.998,51 4,52 18.905,53 0.178,54 10.981,55 10.981,56 1.059,57 4.385,58 4.385,59 21.632,60 232,62 4.59,63 55.404,64 3,65 4.03,66 7.668,67 7.668,68 5.349,70 6.357}
{0 CHEMBL309447,13 2,14 39.947,16 18.787,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.41,24 1.5,25 11.229,26 16.856,28 2.5,29 14.949,33 13.073,34 8.157,35 10.629,36 67.863,37 6.196,38 245,39 61,40 4.127,41 4.812,42 7.318,43 4.805,44 4.619,45 9.34,46 3.466,48 36.604,49 6.586,50 1.546,51 4,52 26.107,53 0.183,54 10.332,55 10.332,56 1.723,57 4.421,58 4.421,59 21.324,60 240,62 4.844,63 57.023,64 6,65 4.006,66 7.641,67 7.641,68 5.668,70 7.699}
{0 CHEMBL309619,13 2,14 38.912,16 18.706,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.362,24 1.5,25 11.128,26 16.771,28 2.5,29 14.862,33 12.985,34 8.071,35 10.549,36 63.777,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.248,43 4.646,44 4.476,45 9.258,46 3.389,48 29.583,49 6.332,50 1.5,51 4,52 21.895,53 0.189,54 9.392,55 9.392,56 1.624,57 4.421,58 4.421,59 21.324,60 239,62 4.617,63 51.188,64 6,65 3.917,66 7.641,67 7.641,68 5.452,70 8.301}
{0 CHEMBL309657,13 3,14 39.288,16 18.727,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.315,24 1.5,25 11.159,26 16.792,28 2.5,29 14.882,33 13.004,34 8.1,35 10.567,36 64.8,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.266,43 4.764,44 4.581,45 9.274,46 3.412,48 33.957,49 6.441,50 1.5,51 4,52 24.454,53 0.187,54 9.883,55 9.883,56 1.582,57 4.421,58 4.421,59 21.324,60 240,62 4.717,63 55.234,64 6,65 3.977,66 7.641,67 7.641,68 5.589,70 7.824}
{0 CHEMBL309922,13 2,14 38.599,16 18.605,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.313,24 1.5,25 11.03,26 16.665,28 2.5,29 14.754,33 12.879,34 7.978,35 10.461,36 61.709,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.203,43 4.58,44 4.416,45 9.158,46 3.379,48 27.012,49 6.154,50 1.5,51 4,52 19.978,53 0.191,54 9.096,55 9.096,56 1.458,57 4.421,58 4.421,59 21.324,60 238,62 4.566,63 49.978,64 3,65 3.896,66 7.641,67 7.641,68 5.368,69 36.022,70 7}
{0 CHEMBL310106,13 2,14 51.179,16 18.81,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.517,24 1.604,25 11.271,26 16.89,28 2.596,29 14.995,33 13.132,34 8.22,35 10.675,36 73.815,37 6.267,38 263,39 66,40 4.205,41 4.89,42 7.394,43 4.822,44 4.669,45 9.4,46 3.453,48 34.377,49 6.447,50 1.812,51 4,52 25.703,53 0.179,54 9.929,55 9.929,56 1.415,57 4.421,58 4.421,59 21.325,60 268,62 4.8,63 58.029,64 6,65 4.039,66 7.641,67 7.641,68 5.618,69 32.897,70 9.097}
{0 CHEMBL310305,13 1,14 38.912,16 19.249,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.64,24 1.5,25 11.648,26 17.266,28 2.523,29 15.302,33 13.365,34 8.558,35 11.035,36 64.036,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.34,43 4.509,44 4.355,45 9.728,46 3.359,48 23.841,49 7.641,50 1.603,51 4,52 18.828,53 0.192,54 13.441,55 13.441,56 1.233,57 4.585,58 4.585,59 22.431,60 165,62 4.51,63 47.307,64 3,65 3.877,66 7.748,67 7.748,68 5.24,69 18.011,70 7.347}
{0 CHEMBL310369,13 2,14 37.468,16 18.572,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.207,24 1,25 10.967,26 16.621,28 2,29 14.696,33 12.805,34 7.921,35 10.398,36 51.595,37 5.905,38 183,39 46,40 3.85,41 4.533,42 7.031,43 4.369,44 4.203,45 9.105,46 3.193,48 22.474,49 6.154,50 1.259,51 4,52 16.613,53 0.212,54 9.096,55 9.096,56 1.313,57 4.421,58 4.421,59 21.324,60 176,62 4.406,63 41.904,64 4,65 3.71,66 7.641,67 7.641,68 5.208,69 18.011,70 6}
{0 CHEMBL310645,13 2,14 38.191,16 18.698,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.271,24 1.177,25 11.103,26 16.754,28 2.215,29 14.832,33 12.939,34 8.05,35 10.511,36 54.534,37 5.979,38 197,39 49,40 3.912,41 4.595,42 7.106,43 4.435,44 4.265,45 9.227,46 3.294,48 24.053,49 6.438,50 1.312,51 4,52 17.638,53 0.207,54 9.863,55 9.863,56 1.487,57 4.421,58 4.421,59 21.324,60 168,62 4.484,63 45.427,64 6,65 3.778,66 7.641,67 7.641,68 5.268,70 7.398}
{0 CHEMBL310780,13 2,14 26.349,16 18.605,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.31,24 1.5,25 11.029,26 16.664,28 2.5,29 14.752,33 12.877,34 7.978,35 10.461,36 59.354,37 6.066,38 215,39 54,40 4.007,41 4.691,42 7.188,43 4.64,44 4.462,45 9.16,46 3.409,48 29.11,49 6.177,50 1.5,52 22.14,53 0.193,54 9.196,55 9.196,56 1.332,57 4.421,58 4.421,59 21.325,60 235,62 4.631,63 50.893,64 3,65 3.911,66 7.641,67 7.641,68 5.393,70 8.301}
{0 CHEMBL311052,13 2,14 39.472,16 19.028,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.575,24 1.5,25 11.431,26 17.089,28 2.5,29 15.17,33 13.277,34 8.42,35 10.888,36 72.572,37 6.275,38 265,39 67,40 4.22,41 4.905,42 7.416,43 4.773,44 4.616,45 9.614,46 3.453,48 33.754,49 7.111,50 1.622,51 4,52 24.737,53 0.179,54 11.657,55 11.657,56 1.196,57 4.421,58 4.421,59 21.324,60 277,62 4.762,63 56.285,64 6,65 4.025,66 7.641,67 7.641,68 5.595,70 8.222}
{0 CHEMBL311248,13 2,14 61.569,16 18.794,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.515,24 1.614,25 11.244,26 16.87,28 2.614,29 14.97,33 13.1,34 8.191,35 10.648,36 71.048,37 6.225,38 252,39 63,40 4.159,41 4.844,42 7.351,43 4.739,44 4.576,45 9.368,46 3.471,48 32.703,49 6.455,50 1.696,51 4,52 23.948,53 0.182,54 9.965,55 9.965,56 1.25,57 4.421,58 4.421,59 21.324,60 264,62 4.762,63 54.648,64 5,65 3.988,66 7.641,67 7.641,68 5.556,70 8.699}
{0 CHEMBL311261,13 2,14 39.502,16 18.743,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.415,24 1.5,25 11.187,26 16.813,28 2.5,29 14.91,33 13.038,34 8.132,35 10.596,36 67.923,37 6.192,38 244,39 61,40 4.127,41 4.812,42 7.314,43 4.775,44 4.604,45 9.307,46 3.453,48 34.021,49 6.447,50 1.5,51 4,52 24.733,53 0.183,54 9.928,55 9.928,56 1.612,57 4.421,58 4.421,59 21.324,60 270,62 4.763,63 56.472,64 6,65 4.005,66 7.641,67 7.641,68 5.589,70 8.523}
{0 CHEMBL311532,13 2,14 39.172,16 18.729,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.371,24 1.5,25 11.163,26 16.794,28 2.5,29 14.883,33 13.004,34 8.1,35 10.569,36 63.371,37 6.129,38 229,39 57,40 4.06,41 4.745,42 7.252,43 4.674,44 4.493,45 9.276,46 3.407,48 31.144,49 6.449,50 1.5,51 4,52 22.971,53 0.189,54 9.92,55 9.92,56 1.55,57 4.421,58 4.421,59 21.324,60 218,62 4.682,63 51.188,64 6,65 3.917,66 7.641,67 7.641,68 5.489,70 8}
{0 CHEMBL311549,13 2,14 61.316,16 18.808,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.553,24 1.703,25 11.266,26 16.888,28 2.722,29 14.994,33 13.131,34 8.22,35 10.672,36 74.287,37 6.267,38 263,39 66,40 4.205,41 4.89,42 7.394,43 4.784,44 4.633,45 9.397,46 3.46,48 32.681,49 6.447,50 1.814,51 4,52 24.781,53 0.179,54 9.928,55 9.928,56 1.34,57 4.421,58 4.421,59 21.325,60 301,62 4.76,63 55.961,64 7,65 4.011,66 7.641,67 7.641,68 5.561,70 8.699}
{0 CHEMBL311795,13 2,14 13.173,16 19.073,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.382,24 1.272,25 11.523,26 17.144,28 2.386,29 15.228,33 13.332,34 8.501,35 10.94,36 60.867,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.33,43 4.261,44 4.138,45 9.684,46 3.126,48 21.008,49 7.111,50 1.49,51 4,52 14.965,53 0.202,54 11.659,55 11.659,56 0.742,57 4.416,58 4.416,59 20.69,60 170,62 4.389,63 45.239,64 2,65 3.806,66 7.475,67 7.475,68 5.232,70 8.538}
{0 CHEMBL312231,13 1,14 25.967,16 18.545,18 13.441,19 13.441,20 13.441,21 3,22 13.239,24 1.207,25 10.923,26 16.585,28 2.262,29 14.651,33 12.75,34 7.861,35 10.359,36 48.87,37 5.861,38 175,39 44,40 3.807,41 4.489,42 6.98,43 4.264,44 4.101,45 9.054,46 3.238,48 19.525,49 6.176,50 1.5,52 15.188,53 0.214,54 9.19,55 9.19,56 1.516,57 4.421,58 4.421,59 21.325,60 159,62 4.309,63 41.086,64 3,65 3.701,66 7.641,67 7.641,68 5.018,69 18.011,70 5}
{0 CHEMBL312344,13 3,14 13.266,16 19.114,17 2,18 13.208,19 13.208,20 13.208,21 5,22 13.438,24 1.5,25 11.587,26 17.19,28 2.5,29 15.28,33 13.391,34 8.573,35 11.002,36 66.906,37 6.252,38 259,39 65,40 4.19,41 4.875,42 7.425,43 4.452,44 4.32,45 9.748,46 3.204,48 26.721,49 7.111,50 1.501,51 4,52 18.603,53 0.19,54 11.66,55 11.66,56 0.755,57 4.416,58 4.416,59 20.695,60 181,62 4.647,63 49.762,64 2,65 3.913,66 7.475,67 7.475,68 5.454,70 8.796}
{0 CHEMBL312701,13 2,14 26.264,16 18.653,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.323,24 1.5,25 11.073,26 16.712,28 2.5,29 14.795,33 12.91,34 8.015,35 10.492,36 55.693,37 6.014,38 204,39 51,40 3.951,41 4.635,42 7.146,43 4.474,44 4.306,45 9.197,46 3.354,48 23.692,49 6.178,50 1.5,52 18.504,53 0.201,54 9.197,55 9.197,56 1.369,57 4.421,58 4.421,59 21.325,60 178,62 4.477,63 45.608,64 3,65 3.815,66 7.641,67 7.641,68 5.2,70 7.523}
{0 CHEMBL312808,13 1,14 26.399,16 19.203,17 1,18 14.308,19 14.308,20 14.308,21 6,22 13.583,24 1.5,25 11.591,26 17.218,28 2.5,29 15.252,33 13.314,34 8.516,35 10.981,36 61.31,37 6.151,38 234,39 58,40 4.078,41 4.762,42 7.303,43 4.518,44 4.354,45 9.674,46 3.368,48 24.638,49 7.641,50 1.601,52 19.119,53 0.193,54 13.441,55 13.441,56 1.314,57 4.557,58 4.557,59 22.192,60 170,62 4.517,63 47.614,64 3,65 3.873,66 7.716,67 7.716,68 5.248,69 18.011,70 7.301}
{0 CHEMBL312945,13 3,14 39.337,16 18.731,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.317,24 1.5,25 11.17,26 16.796,28 2.5,29 14.886,33 13.007,34 8.1,35 10.574,36 64.841,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.266,43 4.798,44 4.591,45 9.278,46 3.395,48 37.838,49 6.466,50 1.5,51 4,52 26.717,53 0.187,54 10.026,55 10.026,56 1.446,57 4.421,58 4.421,59 21.324,60 196,62 4.843,63 55.234,64 6,65 3.977,66 7.641,67 7.641,68 5.726,70 7.456}
{0 CHEMBL313071,13 1,14 74.405,16 19.516,17 1,18 15.079,19 15.079,20 15.079,21 6,22 14.005,24 1.769,25 11.902,26 17.532,28 2.736,29 15.566,33 13.623,34 8.83,35 11.317,36 75.622,37 6.326,38 279,39 70,40 4.263,41 4.949,42 7.504,43 4.609,44 4.467,45 10.018,46 3.466,48 24.082,49 7.642,50 1.84,52 20.589,53 0.184,54 13.442,55 13.442,56 1.012,57 4.683,58 4.683,59 23.373,60 234,62 4.589,63 51.176,64 5,65 3.967,66 7.898,67 7.898,68 5.314,70 7.222}
{0 CHEMBL313072,13 1,14 74.929,16 19.517,17 1,18 15.079,19 15.079,20 15.079,21 6,22 14.005,24 1.75,25 11.906,26 17.533,28 2.721,29 15.567,33 13.624,34 8.83,35 11.319,36 75.751,37 6.326,38 279,39 70,40 4.263,41 4.949,42 7.504,43 4.615,44 4.472,45 10.019,46 3.466,48 24.637,49 7.644,50 1.84,52 21.471,53 0.184,54 13.457,55 13.457,56 1.002,57 4.683,58 4.683,59 23.373,60 204,62 4.596,63 51.176,64 5,65 3.967,66 7.898,67 7.898,68 5.358,70 6.824}
{0 CHEMBL313216,13 2,14 39.507,16 18.745,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.416,24 1.5,25 11.192,26 16.816,28 2.5,29 14.911,33 13.04,34 8.132,35 10.599,36 68.088,37 6.192,38 244,39 61,40 4.127,41 4.812,42 7.314,43 4.796,44 4.629,45 9.31,46 3.452,48 34.015,49 6.447,50 1.604,51 4,52 25.467,53 0.183,54 9.928,55 9.928,56 1.531,57 4.421,58 4.421,59 21.325,60 254,62 4.776,63 55.569,64 6,65 3.992,66 7.641,67 7.641,68 5.588,70 8.398}
{0 CHEMBL313950,13 2,14 26.156,15 2,16 18.704,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.385,24 1.5,25 11.126,26 16.769,28 2.5,29 14.858,33 12.977,34 8.072,35 10.547,36 58.146,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.189,43 4.416,44 4.293,45 9.262,46 3.354,48 22.025,49 6.219,50 1.5,52 17.966,53 0.199,54 9.304,55 9.304,56 1.008,57 4.421,58 4.421,59 21.325,60 188,62 4.432,63 44.625,64 3,65 3.813,66 7.641,67 7.641,68 5.223,70 6.244}
{0 CHEMBL314077,13 1,14 39.104,16 19.287,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.717,24 1.486,25 11.694,26 17.312,28 2.523,29 15.357,33 13.429,34 8.612,35 11.086,36 68.512,37 6.229,38 253,39 63,40 4.159,41 4.844,42 7.387,43 4.542,44 4.381,45 9.794,46 3.367,47 1,48 24.415,49 7.644,50 1.751,52 20.116,53 0.191,54 13.456,55 13.456,56 0.976,57 4.578,58 4.578,59 22.431,60 175,62 4.536,63 48.818,64 4,65 3.896,66 7.748,67 7.748,68 5.288,70 6.469}
{0 CHEMBL314124,13 1,14 25.55,16 18.856,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.324,24 1.5,25 11.377,26 16.918,28 2.521,29 15.007,33 13.128,34 8.281,35 10.734,36 67.329,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.322,43 4.494,44 4.343,45 9.437,46 3.294,48 23.707,49 6.243,50 1.743,52 18.493,53 0.189,54 9.385,55 9.385,56 1.064,57 4.578,58 4.578,59 22.431,60 196,62 4.494,63 48.921,64 3,65 3.902,66 7.748,67 7.748,68 5.23,70 6.108}
{0 CHEMBL314342,13 1,14 25.782,16 18.856,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.324,24 1.5,25 11.377,26 16.918,28 2.521,29 15.007,33 13.128,34 8.281,35 10.734,36 67.253,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.322,43 4.555,44 4.384,45 9.437,46 3.328,48 26.073,49 6.243,50 1.743,52 19.82,53 0.189,54 9.385,55 9.385,56 0.888,57 4.578,58 4.578,59 22.431,60 196,62 4.549,63 50.228,64 1,65 3.924,66 7.748,67 7.748,68 5.289,70 6.194}
{0 CHEMBL314486,13 1,14 25.737,16 19.071,17 1,18 14.308,19 14.308,20 14.308,21 6,22 13.57,24 1.5,25 11.511,26 17.109,28 2.5,29 15.167,33 13.251,34 8.468,35 10.912,36 64.844,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.299,43 4.472,44 4.307,45 9.618,46 3.372,48 22.105,49 7.293,50 1.692,52 18.444,53 0.193,54 12.406,55 12.406,56 1.004,57 4.548,58 4.548,59 22.154,60 170,62 4.452,63 47.353,64 1,65 3.876,66 7.716,67 7.716,68 5.143,69 16.405,70 5.796}
{0 CHEMBL314551,13 1,14 40.102,16 19.333,17 1,18 14.483,19 14.483,20 14.483,21 8,22 13.821,24 1.852,25 11.756,26 17.365,28 2.793,29 15.417,33 13.497,34 8.669,35 11.14,36 76.142,37 6.34,38 283,39 70,40 4.263,41 4.949,42 7.502,43 4.664,44 4.505,45 9.842,46 3.419,48 26.134,49 7.644,50 1.951,52 21.827,53 0.179,54 13.459,55 13.459,56 1.09,57 4.578,58 4.578,59 22.431,60 220,62 4.638,63 53.574,64 3,65 4.011,66 7.748,67 7.748,68 5.355,70 6.921}
{0 CHEMBL315084,13 1,14 40.45,16 19.376,17 1,18 14.483,19 14.483,20 14.483,21 8,22 13.838,24 1.87,25 11.801,26 17.403,28 2.759,29 15.45,33 13.523,34 8.697,35 11.169,36 76.221,37 6.344,38 284,39 70,40 4.263,41 4.949,42 7.505,43 4.679,44 4.519,45 9.867,46 3.412,48 27.309,49 7.712,50 1.915,52 22.503,53 0.179,54 13.832,55 13.832,56 1.071,57 4.578,58 4.578,59 22.805,60 215,62 4.661,63 53.574,64 3,65 4.011,66 7.748,67 7.748,68 5.372,70 7.046}
{0 CHEMBL315159,13 3,14 13.788,16 18.262,17 1,18 11.06,19 11.06,20 11.06,21 7,22 13.144,24 1.5,25 10.973,26 16.432,28 2.5,29 14.616,33 12.82,34 7.83,35 10.284,36 62.704,37 6.151,38 234,39 57,40 4.06,41 4.745,42 7.268,43 4.496,44 4.346,45 8.99,46 3.389,48 24.793,49 6.547,50 1.5,51 1,52 17.794,53 0.187,54 10.38,55 10.38,56 1.379,57 4.199,58 4.199,59 18.502,60 190,62 4.524,63 47.648,64 1,65 3.896,66 6.768,67 6.768,68 5.241,70 7.721}
{0 CHEMBL315293,13 1,14 39.725,16 19.292,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.692,24 1.5,25 11.7,26 17.313,28 2.531,29 15.354,33 13.421,34 8.609,35 11.08,36 69.02,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.392,43 4.671,44 4.496,45 9.776,46 3.383,48 28.721,49 7.667,50 1.722,52 23.296,53 0.188,54 13.614,55 13.614,56 1.138,57 4.578,58 4.578,59 22.468,60 185,62 4.675,63 51.33,64 3,65 3.95,66 7.748,67 7.748,68 5.397,70 6.886}
{0 CHEMBL315707,13 1,14 12.71,16 18.794,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.233,24 1.483,25 11.306,26 16.847,28 2.5,29 14.925,33 13.036,34 8.205,35 10.662,36 61.673,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.235,43 4.411,44 4.24,45 9.351,46 3.25,48 21.84,49 6.208,50 1.5,52 16.783,53 0.194,54 9.259,55 9.259,56 0.907,57 4.578,58 4.578,59 22.431,60 167,62 4.381,63 46.461,65 3.856,66 7.748,67 7.748,68 5.103,70 8.398}
{0 CHEMBL316073,13 3,14 13.242,16 17.995,17 1,18 10.632,19 10.632,20 10.632,21 5,22 12.885,24 1.465,25 10.733,26 16.188,28 2.479,29 14.397,33 12.625,34 7.624,35 10.074,36 56.649,37 6.028,38 207,39 51,40 3.951,41 4.635,42 7.141,43 4.358,44 4.205,45 8.792,46 3.113,48 21.191,49 6.302,50 1.5,51 1,52 15.592,53 0.198,54 9.376,55 9.376,56 1.22,57 4.141,58 4.141,59 17.646,60 163,62 4.394,63 43.745,64 1,65 3.796,66 6.62,67 6.62,68 5.101,70 6.125}
{0 CHEMBL316189,13 2,14 26.425,16 18.704,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.385,24 1.5,25 11.126,26 16.769,28 2.5,29 14.858,33 12.977,34 8.072,35 10.547,36 57.404,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.189,43 4.577,44 4.397,45 9.262,46 3.381,48 27.461,49 6.219,50 1.5,52 20.758,53 0.199,54 9.304,55 9.304,56 1.498,57 4.421,58 4.421,59 21.325,60 188,62 4.557,63 48.273,64 3,65 3.862,66 7.641,67 7.641,68 5.35,70 7.222}
{0 CHEMBL316280,13 2,14 26.379,16 18.663,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.333,24 1.5,25 11.088,26 16.724,28 2.5,29 14.809,33 12.926,34 8.032,35 10.504,36 57.132,37 6.038,38 209,39 52,40 3.97,41 4.654,42 7.166,43 4.515,44 4.355,45 9.209,46 3.355,48 25.546,49 6.184,50 1.5,52 19.384,53 0.198,54 9.227,55 9.227,56 1.306,57 4.421,58 4.421,59 21.325,60 188,62 4.512,63 46.966,64 3,65 3.839,66 7.641,67 7.641,68 5.316,70 6}
{0 CHEMBL316475,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.151,16 17.929,17 2,18 10.69,19 10.69,20 10.69,21 5,22 12.732,23 4,24 1.174,25 10.697,26 16.133,27 1,28 2.197,29 14.354,30 2,31 1,32 1,33 12.596,34 7.639,35 10.066,36 58.33,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.163,43 4.574,44 4.4,45 8.798,46 3.341,48 28.932,49 6.319,50 1.5,51 1,52 20.14,53 0.193,54 9.486,55 9.486,56 0.874,57 4.142,58 4.142,59 17.626,60 208,61 1,62 4.6,63 49.148,65 3.891,66 6.633,67 6.633,68 5.416,69 42.683,70 10}
{0 CHEMBL316589,16 17.6,18 11.16,19 11.16,20 11.16,21 6,22 12.739,24 -2.121,25 10.262,26 15.744,28 -0.056,29 13.902,33 12.08,34 7.111,35 9.552,36 25.441,37 5.293,38 99,39 24,40 3.219,41 3.892,42 6.435,43 1.524,44 1.165,45 8.26,46 2.512,48 2.403,49 6.009,50 -1.841,52 1.619,53 0.292,54 8.433,55 8.433,56 1.116,57 4.176,58 4.176,59 18.526,60 24,62 2.229,63 18.057,65 2.979,66 6.79,67 6.79,68 2.683,70 4.19}
{0 CHEMBL317476,13 1,14 13.183,16 18.787,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.245,24 1,25 11.309,26 16.875,28 2,29 14.981,33 13.111,34 8.327,35 10.744,36 58.311,37 6.084,38 219,39 56,40 4.043,41 4.727,42 7.255,43 4.133,44 4.006,45 9.489,46 3.101,48 18.801,49 6.784,50 1.267,51 4,52 13.333,53 0.202,54 10.975,55 10.975,56 0.54,57 4.408,58 4.408,59 20.542,60 181,62 4.284,63 44.438,64 1,65 3.803,66 7.472,67 7.472,68 5.107,70 7.26}
{0 CHEMBL317710,11 1,13 3,16 18.188,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.788,24 1.209,25 10.871,26 16.336,28 2.227,29 14.503,33 12.697,34 7.87,35 10.298,36 57.004,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.168,43 4.632,44 4.435,45 9.009,46 3.319,48 31.263,49 6.559,50 1.386,51 5,52 21.557,53 0.192,54 10.451,55 10.451,56 1.115,57 4.242,58 4.242,59 18.633,60 198,62 4.644,63 51.217,65 3.918,66 6.972,67 6.972,68 5.494,69 42.683,70 9.262}
{0 CHEMBL317860,12 1,13 3,14 39.556,16 18.396,17 1,18 10.703,19 10.703,20 10.703,21 7,22 13.307,24 1.831,25 11.1,26 16.577,28 2.791,29 14.773,33 12.99,34 7.995,35 10.451,36 78.445,37 6.347,38 285,39 70,40 4.263,41 4.949,42 7.452,43 4.745,44 4.618,45 9.177,46 3.434,47 1,48 31.083,49 6.518,50 2.035,51 4,52 21.939,53 0.17,54 10.226,55 10.226,56 1.345,57 4.158,58 4.158,59 17.77,60 322,61 1,62 4.725,63 58.313,64 5,65 4.071,66 6.677,67 6.677,68 5.574,69 34.796,70 7.886}
{0 CHEMBL317908,11 1,13 3,16 18.188,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.788,24 1.209,25 10.871,26 16.336,28 2.227,29 14.503,33 12.697,34 7.87,35 10.298,36 57.004,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.168,43 4.616,44 4.423,45 9.009,46 3.294,48 30.717,49 6.559,50 1.386,51 5,52 20.96,53 0.192,54 10.451,55 10.451,56 1.003,57 4.242,58 4.242,59 18.633,60 198,62 4.631,63 50.461,65 3.903,66 6.972,67 6.972,68 5.485,69 42.683,70 7.921}
{0 CHEMBL318210,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 2,13 4,14 12.036,16 18.419,17 2,18 11.778,19 11.778,20 11.778,21 4,22 12.928,23 2,24 1.21,25 11.044,26 16.55,27 1,28 2.228,29 14.697,30 2,31 1,33 12.866,34 8.034,35 10.44,36 57.184,37 6.047,38 211,39 53,40 3.989,41 4.673,42 7.175,43 4.582,44 4.424,45 9.179,46 3.309,48 28.762,49 6.727,50 1.5,51 5,52 19.979,53 0.199,54 10.909,55 10.909,56 0.94,57 4.243,58 4.243,59 18.743,60 198,61 1,62 4.577,63 48.603,65 3.863,66 6.972,67 6.972,68 5.456,69 85.367,70 8.699}
{0 CHEMBL318406,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.029,16 17.98,17 2,18 10.909,19 10.909,20 10.909,21 4,22 12.691,23 2,24 1.167,25 10.701,26 16.162,27 1,28 2.188,29 14.362,30 2,31 1,32 1,33 12.585,34 7.6,35 10.034,36 55.358,37 5.999,38 201,39 50,40 3.932,41 4.615,42 7.102,43 4.558,44 4.381,45 8.757,46 3.309,48 28.458,49 6.453,50 1.5,51 1,52 19.654,53 0.201,54 9.896,55 9.896,56 0.879,57 4.163,58 4.163,59 17.874,60 196,61 1,62 4.558,63 48.148,65 3.849,66 6.727,67 6.727,68 5.413,69 42.683,70 9.155}
{0 CHEMBL318681,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.069,16 18.063,17 2,18 11.148,19 11.148,20 11.148,21 5,22 12.759,23 2,24 1.17,25 10.793,26 16.24,27 1,28 2.191,29 14.435,30 2,31 1,32 1,33 12.653,34 7.708,35 10.144,36 57.203,37 6.047,38 211,39 52,40 3.97,41 4.654,42 7.152,43 4.53,44 4.359,45 8.868,46 3.317,48 27.508,49 6.489,50 1.5,51 1,52 19.176,53 0.195,54 10.126,55 10.126,56 0.875,57 4.198,58 4.198,59 18.218,60 196,61 1,62 4.536,63 47.387,65 3.859,66 6.787,67 6.787,68 5.37,69 42.683,70 8.523}
{0 CHEMBL318909,1 2,4 1,6 2,7 1,8 1,9 1,11 2,13 3,14 11.241,16 18.298,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.969,23 2,24 1.386,25 10.978,26 16.453,27 1,28 2.386,29 14.627,31 2,33 12.825,34 7.982,35 10.4,36 62.932,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.261,43 4.668,44 4.488,45 9.128,46 3.342,48 32.172,49 6.559,50 1.475,51 5,52 22.197,53 0.187,54 10.451,55 10.451,56 0.874,57 4.242,58 4.242,59 18.633,60 206,62 4.677,63 53.126,65 3.964,66 6.972,67 6.972,68 5.537,69 85.367,70 8.523}
{0 CHEMBL319233,12 1,13 2,14 39.981,16 18.905,17 1,18 13.323,19 13.323,20 13.323,21 7,22 13.514,24 2.024,25 11.465,26 17.007,28 2.904,29 15.13,33 13.279,34 8.389,35 10.842,36 82.507,37 6.409,38 303,39 75,40 4.331,41 5.017,42 7.534,43 4.834,44 4.706,45 9.566,46 3.473,47 1,48 34.345,49 6.65,50 2.088,51 4,52 24.589,53 0.168,54 10.59,55 10.59,56 1.23,57 4.463,58 4.463,59 20.871,60 350,61 1,62 4.826,63 60.932,64 5,65 4.111,66 7.492,67 7.492,68 5.661,69 34.796,70 7.114}
{0 CHEMBL319593,11 1,13 3,16 18.341,17 2,18 11.778,19 11.778,20 11.778,21 6,22 13.047,24 1.397,25 11.031,26 16.497,28 2.416,29 14.672,33 12.871,34 8.023,35 10.444,36 66.331,37 6.213,38 249,39 62,40 4.143,41 4.828,42 7.326,43 4.687,44 4.504,45 9.167,46 3.45,47 1,48 32.532,49 6.559,50 1.5,51 5,52 21.905,53 0.179,54 10.451,55 10.451,56 0.905,57 4.242,58 4.242,59 18.633,60 244,62 4.693,63 54.717,64 2,65 3.998,66 6.972,67 6.972,68 5.552,69 59.224,70 9.699}
{0 CHEMBL319622,12 1,13 2,14 34.868,16 18.285,17 1,18 11.116,19 11.116,20 11.116,21 6,22 13.328,24 1.707,25 10.999,26 16.471,28 2.773,29 14.672,33 12.893,34 7.91,35 10.337,36 73.145,37 6.271,38 264,39 65,40 4.19,41 4.875,42 7.376,43 4.794,44 4.633,45 9.064,46 3.427,47 1,48 35.073,49 6.447,50 2.018,51 4,52 23.936,53 0.176,54 9.928,55 9.928,56 1.291,57 4.15,58 4.15,59 18.111,60 288,62 4.795,63 55.552,64 5,65 4.01,66 6.761,67 6.761,68 5.618,70 7.319}
{0 CHEMBL319689,4 1,6 2,7 1,8 1,9 1,11 2,13 3,14 11.058,16 18.294,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.968,23 1,24 1.386,25 10.971,26 16.45,27 1,28 2.386,29 14.625,30 1,31 2,32 2,33 12.823,34 7.982,35 10.395,36 62.854,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.261,43 4.664,44 4.478,45 9.125,46 3.355,48 32.181,49 6.559,50 1.5,51 5,52 22.192,53 0.187,54 10.451,55 10.451,56 0.876,57 4.242,58 4.242,59 18.633,60 232,62 4.673,63 53.126,65 3.964,66 6.972,67 6.972,68 5.537,69 85.367,70 8}
{0 CHEMBL319697,13 2,14 38.909,16 18.95,17 1,18 14.483,19 14.483,20 14.483,21 7,22 13.392,24 1.691,25 11.487,26 17.014,28 2.657,29 15.104,33 13.224,34 8.371,35 10.841,36 71.123,37 6.271,38 264,39 65,40 4.19,41 4.875,42 7.405,43 4.506,44 4.387,45 9.539,46 3.388,48 23.553,49 6.666,50 1.77,52 17.525,53 0.181,54 10.646,55 10.646,56 0.908,57 4.604,58 4.604,59 22.431,60 217,61 1,62 4.506,63 50.421,64 2,65 3.955,66 7.748,67 7.748,68 5.283,69 18.011,70 6.699}
{0 CHEMBL320149,1 1,4 1,5 1,6 1,7 1,8 1,9 1,11 2,13 3,14 10.793,16 18.242,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.94,23 2,24 1.387,25 10.942,26 16.402,27 2,28 2.387,29 14.582,30 1,31 1,32 1,33 12.789,34 7.955,35 10.368,36 65.299,37 6.168,38 238,39 60,40 4.111,41 4.796,42 7.284,43 4.714,44 4.522,45 9.091,46 3.444,48 34.112,49 6.559,50 1.5,51 5,52 23.427,53 0.183,54 10.451,55 10.451,56 0.822,57 4.242,58 4.242,59 18.633,60 278,62 4.724,63 56.648,65 4.02,66 6.972,67 6.972,68 5.582,69 85.367,70 8.699}
{0 CHEMBL320365,13 2,14 34.816,16 18.045,17 1,18 9.928,19 9.928,20 9.928,21 5,22 13.176,24 1.632,25 10.806,26 16.264,28 2.596,29 14.497,33 12.749,34 7.745,35 10.157,36 72.834,37 6.248,38 258,39 64,40 4.174,41 4.86,42 7.345,43 4.683,44 4.536,45 8.887,46 3.464,47 1,48 30.098,49 6.21,50 1.708,51 4,52 20.912,53 0.175,54 9.336,55 9.336,56 1.225,57 3.934,58 3.934,59 16.57,60 288,62 4.651,63 54.79,64 5,65 4,66 6.447,67 6.447,68 5.467,70 7.638}
{0 CHEMBL320386,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.221,16 18.05,17 2,18 11.114,19 11.114,20 11.114,21 5,22 12.743,23 3,24 1.171,25 10.789,26 16.228,27 1,28 2.192,29 14.425,30 2,31 1,32 1,33 12.645,34 7.659,35 10.12,36 57.734,37 6.066,38 215,39 53,40 3.989,41 4.673,42 7.209,43 4.588,44 4.416,45 8.823,46 3.32,48 29.105,49 6.484,50 1.5,51 1,52 20.221,53 0.193,54 10.1,55 10.1,56 0.878,57 4.184,58 4.184,59 18.134,60 208,61 1,62 4.596,63 49.148,65 3.891,66 6.776,67 6.776,68 5.426,69 42.683,70 10}
{0 CHEMBL321267,13 4,16 17.594,17 2,18 10.452,19 10.452,20 10.452,21 5,22 12.509,24 1.167,25 10.447,26 15.827,28 2.187,29 14.079,33 12.354,34 7.334,35 9.811,36 55.23,37 6.004,38 202,39 50,40 3.932,41 4.615,42 7.094,43 4.608,44 4.392,45 8.486,46 3.319,48 30.902,49 5.578,50 1.386,51 1,52 21.237,53 0.193,54 7.611,55 7.611,56 1.126,57 4.09,58 4.09,59 17.306,60 196,62 4.627,63 50.762,65 3.905,66 6.559,67 6.559,68 5.453,70 8.187}
{0 CHEMBL321539,12 1,13 2,14 12.991,16 18.177,17 1,18 11.116,19 11.116,20 11.116,21 6,22 13.158,24 1.544,25 10.902,26 16.359,28 2.539,29 14.557,33 12.777,34 7.789,35 10.233,36 67.152,37 6.196,38 245,39 60,40 4.111,41 4.796,42 7.294,43 4.784,44 4.612,45 8.94,46 3.427,47 1,48 34.962,49 6.447,50 1.707,51 4,52 23.906,53 0.18,54 9.928,55 9.928,56 1.602,57 4.15,58 4.15,59 18.111,60 242,62 4.784,63 54.398,64 4,65 3.981,66 6.761,67 6.761,68 5.606,70 6.609}
{0 CHEMBL322232,11 1,13 4,14 13.889,16 18.514,17 2,18 11.778,19 11.778,20 11.778,21 6,22 13.111,24 1.5,25 11.18,26 16.654,28 2.5,29 14.813,33 12.996,34 8.136,35 10.56,36 74.852,37 6.308,38 274,39 68,40 4.234,41 4.92,42 7.422,43 5.037,44 4.879,45 9.27,46 3.583,48 44.366,49 6.795,50 1.728,51 5,52 31.167,53 0.17,54 11.199,55 11.199,56 1.204,57 4.243,58 4.243,59 18.819,60 318,62 4.981,63 62.41,64 1,65 4.128,66 6.972,67 6.972,68 5.843,69 42.683,70 7.62}
{0 CHEMBL322251,13 2,14 25.282,16 19.114,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.481,24 1.309,25 11.565,26 17.186,28 2.409,29 15.273,33 13.378,34 8.54,35 10.98,36 63.366,37 6.184,38 242,39 61,40 4.127,41 4.812,42 7.366,43 4.299,44 4.176,45 9.727,46 3.166,48 21.933,49 7.111,50 1.493,51 4,52 15.656,53 0.2,54 11.659,55 11.659,56 0.793,57 4.416,58 4.416,59 20.698,60 180,62 4.436,63 46.449,64 1,65 3.835,66 7.475,67 7.475,68 5.287,70 8.155}
{0 CHEMBL322422,11 1,13 3,16 18.431,17 2,18 11.778,19 11.778,20 11.778,21 6,22 13.133,24 1.5,25 11.108,26 16.583,28 2.5,29 14.753,33 12.946,34 8.091,35 10.515,36 68.231,37 6.244,38 257,39 64,40 4.174,41 4.86,42 7.362,43 4.71,44 4.527,45 9.243,46 3.51,47 1,48 33.195,49 6.559,50 1.5,51 5,52 22.356,53 0.177,54 10.451,55 10.451,56 1.005,57 4.242,58 4.242,59 18.633,60 236,62 4.714,63 56.478,64 3,65 4.022,66 6.972,67 6.972,68 5.571,69 42.683,70 9.699}
{0 CHEMBL322439,13 2,14 56.751,16 17.981,17 1,18 9.928,19 9.928,20 9.928,21 4,22 13.155,24 1.5,25 10.728,26 16.204,28 2.5,29 14.439,33 12.692,34 7.692,35 10.09,36 67.832,37 6.159,38 236,39 59,40 4.094,41 4.779,42 7.259,43 4.524,44 4.406,45 8.844,46 3.359,47 1,48 25.373,49 6.176,50 1.705,51 4,52 17.397,53 0.185,54 9.209,55 9.209,56 0.997,57 3.93,58 3.93,59 16.57,60 249,62 4.529,63 48.421,64 7,65 3.874,66 6.447,67 6.447,68 5.391,70 7.824}
{0 CHEMBL322603,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 2,13 4,14 12.494,16 18.462,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.965,23 4,24 1.387,25 11.106,26 16.594,27 2,28 2.391,29 14.742,30 2,31 1,33 12.914,34 8.072,35 10.489,36 62.971,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.269,43 4.717,44 4.556,45 9.21,46 3.334,48 33.124,49 6.774,50 1.5,51 5,52 23.007,53 0.187,54 11.107,55 11.107,56 0.919,57 4.243,58 4.243,59 18.807,60 234,61 1,62 4.725,63 53.126,65 3.964,66 6.972,67 6.972,68 5.583,69 85.367,70 9.301}
{0 CHEMBL322693,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 11.984,15 1,16 18.096,17 2,18 10.909,19 10.909,20 10.909,21 4,22 12.794,23 2,24 1,25 10.796,26 16.272,27 1,28 2.01,29 14.463,30 2,31 1,32 1,33 12.674,34 7.703,35 10.121,36 53.484,37 5.979,38 197,39 49,40 3.912,41 4.595,42 7.099,43 4.375,44 4.226,45 8.864,46 3.055,48 22.957,49 6.453,50 1.5,51 1,52 16.273,53 0.208,54 9.897,55 9.897,56 0.74,57 4.163,58 4.163,59 17.874,60 166,61 1,62 4.389,63 42.802,65 3.756,66 6.727,67 6.727,68 5.239,69 42.683,70 7.444}
{0 CHEMBL322817,13 3,14 13.153,16 18.257,17 2,18 10.981,19 10.981,20 10.981,21 4,22 12.966,24 1,25 10.909,26 16.422,28 2,29 14.6,33 12.797,34 7.808,35 10.224,36 54.124,37 6.004,38 202,39 50,40 3.932,41 4.615,42 7.143,43 4.169,44 3.949,45 8.978,46 3.108,48 20.698,49 6.591,50 1.161,51 4,52 15.221,53 0.209,54 10.335,55 10.335,56 1.169,57 4.15,58 4.15,59 18.137,60 154,62 4.365,63 44.768,64 1,65 3.768,66 6.786,67 6.786,68 5.081,70 7.638}
{0 CHEMBL323172,13 1,14 13.208,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.504,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.236,44 4.068,45 9.353,46 3.088,48 20.356,49 6.784,50 1.258,51 4,52 14.906,53 0.203,54 10.975,55 10.975,56 1.023,57 4.409,58 4.409,59 20.555,60 160,62 4.413,63 45.466,64 1,65 3.791,66 7.472,67 7.472,68 5.116,70 8.959}
{0 CHEMBL323370,11 1,13 3,16 18.188,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.788,24 1.209,25 10.871,26 16.336,28 2.227,29 14.503,33 12.697,34 7.87,35 10.298,36 57.004,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.168,43 4.609,44 4.419,45 9.009,46 3.318,48 30.194,49 6.559,50 1.386,51 5,52 20.647,53 0.192,54 10.451,55 10.451,56 1.078,57 4.242,58 4.242,59 18.633,60 198,62 4.621,63 50.461,65 3.903,66 6.972,67 6.972,68 5.472,69 42.683,70 8.155}
{0 CHEMBL323454,11 1,13 2,14 13.184,16 18.74,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.143,24 1,25 11.234,26 16.82,28 2,29 14.919,33 13.042,34 8.181,35 10.604,36 54.509,37 6.019,38 205,39 51,40 3.951,41 4.635,42 7.175,43 4.164,44 3.989,45 9.337,46 3.101,48 19.16,49 6.784,50 1,51 4,52 14.52,53 0.21,54 10.975,55 10.975,56 1.247,57 4.409,58 4.409,59 20.554,60 160,62 4.306,63 44.216,64 1,65 3.771,66 7.472,67 7.472,68 5.043,69 42.683,70 6.721}
{0 CHEMBL324284,13 2,14 61.717,16 19.15,17 1,18 13.634,19 13.634,20 13.634,21 4,22 13.654,24 1.689,25 11.545,26 17.191,28 2.66,29 15.252,33 13.34,34 8.504,35 10.959,36 75.096,37 6.282,38 267,39 67,40 4.22,41 4.905,42 7.424,43 4.832,44 4.658,45 9.674,46 3.471,48 37.225,49 7.454,50 1.728,51 4,52 27.15,53 0.179,54 13.046,55 13.046,56 1.281,57 4.486,58 4.486,59 21.681,60 301,62 4.839,63 57.62,64 5,65 4.042,66 7.664,67 7.664,68 5.662,70 5.42}
{0 CHEMBL324643,13 1,14 13.273,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.216,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.386,44 4.194,45 9.353,46 3.177,48 24.843,49 6.784,50 1.277,51 4,52 18.023,53 0.201,54 10.975,55 10.975,56 1.174,57 4.41,58 4.41,59 20.555,60 161,62 4.54,63 47.984,64 1,65 3.841,66 7.472,67 7.472,68 5.291,70 8.484}
{0 CHEMBL325276,13 2,14 13.088,16 19.073,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.382,24 1.272,25 11.523,26 17.144,28 2.386,29 15.228,33 13.332,34 8.501,35 10.94,36 61.263,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.33,43 4.248,44 4.13,45 9.684,46 3.153,48 20.135,49 7.111,50 1.49,51 4,52 14.938,53 0.202,54 11.659,55 11.659,56 0.733,57 4.416,58 4.416,59 20.69,60 170,62 4.374,63 45.091,64 1,65 3.81,66 7.475,67 7.475,68 5.185,69 32.897,70 8.301}
{0 CHEMBL325357,10 1,12 1,13 2,14 34.767,16 18.145,17 1,18 10.343,19 10.343,20 10.343,21 6,22 13.243,24 1.704,25 10.873,26 16.344,28 2.656,29 14.558,33 12.791,34 7.799,35 10.218,36 70.232,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.323,43 4.664,44 4.515,45 8.947,46 3.387,47 1,48 29.777,49 6.447,50 1.729,51 4,52 20.474,53 0.179,54 9.928,55 9.928,56 1.233,57 4.057,58 4.057,59 17.134,60 262,62 4.649,63 52.029,64 4,65 3.954,66 6.543,67 6.543,68 5.473,70 7.824}
{0 CHEMBL325556,13 1,14 13.224,16 18.696,17 2,18 13.207,19 13.207,20 13.207,21 4,22 13.122,24 1,25 11.202,26 16.778,28 2,29 14.881,33 13.009,34 8.152,35 10.577,36 54.203,37 6.014,38 204,39 51,40 3.951,41 4.635,42 7.171,43 4.293,44 4.029,45 9.31,46 3.101,48 22.222,49 6.784,50 1.266,51 4,52 18.861,53 0.21,54 10.975,55 10.975,56 1.18,57 4.414,58 4.414,59 20.632,60 164,62 4.42,63 46.074,64 1,65 3.775,66 7.475,67 7.475,68 5.109,70 8.097}
{0 CHEMBL325957,13 3,14 13.135,16 18.234,17 2,18 10.981,19 10.981,20 10.981,21 4,22 12.9,24 1,25 10.879,26 16.393,28 2,29 14.566,33 12.757,34 7.763,35 10.188,36 52.24,37 5.969,38 195,39 48,40 3.892,41 4.575,42 7.102,43 4.079,44 3.872,45 8.933,46 3.107,48 19.456,49 6.591,50 1.149,51 4,52 13.009,53 0.211,54 10.332,55 10.332,56 1.24,57 4.15,58 4.15,59 18.136,60 133,62 4.31,63 43.415,64 1,65 3.744,66 6.786,67 6.786,68 5.073,70 6.561}
{0 CHEMBL326020,9 1,13 2,14 13.1,16 18.803,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.185,24 1,25 11.302,26 16.885,28 2,29 14.985,33 13.107,34 8.239,35 10.665,36 56.022,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.217,43 4.34,44 4.091,45 9.402,46 3.144,48 22.289,49 6.784,50 1.274,51 4,52 18.771,53 0.208,54 10.975,55 10.975,56 0.929,57 4.416,58 4.416,59 20.688,60 164,62 4.449,63 46.529,64 1,65 3.79,66 7.475,67 7.475,68 5.114,69 42.683,70 7.921}
{0 CHEMBL326111,11 1,12 1,13 1,14 27.151,16 18.934,17 1,18 13.461,19 13.461,20 13.461,21 5,22 13.554,24 1.5,25 11.379,26 16.995,28 2.5,29 15.078,33 13.188,34 8.373,35 10.826,36 68.64,37 6.236,38 255,39 64,40 4.174,41 4.86,42 7.37,43 4.732,44 4.564,45 9.541,46 3.482,48 30.435,49 6.972,50 1.5,51 4,52 24.19,53 0.18,54 11.778,55 11.778,56 1.328,57 4.415,58 4.415,59 21.408,60 288,62 4.718,63 56.143,64 3,65 4.024,66 7.645,67 7.645,68 5.499,69 42.683,70 8.398}
{0 CHEMBL326487,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.208,16 18.132,17 2,18 10.69,19 10.69,20 10.69,21 6,22 12.997,23 4,24 1.5,25 10.898,26 16.334,27 1,28 2.5,29 14.55,30 2,31 1,32 1,33 12.785,34 7.828,35 10.259,36 64.947,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.295,43 4.609,44 4.443,45 9,46 3.5,48 28.759,49 6.319,50 1.5,51 1,52 20.855,53 0.183,54 9.487,55 9.487,56 0.913,57 4.142,58 4.142,59 17.627,60 224,61 1,62 4.62,63 51.279,65 3.952,66 6.633,67 6.633,68 5.405,69 42.683,70 9.638}
{0 CHEMBL327186,13 5,14 25.898,16 18.143,17 1,18 10.632,19 10.632,20 10.632,21 5,22 12.77,24 1,25 10.864,26 16.327,28 2.007,29 14.526,33 12.745,34 7.748,35 10.192,36 61.327,37 6.107,38 224,39 55,40 4.025,41 4.71,42 7.201,43 4.581,44 4.384,45 8.934,46 3.259,48 30.838,49 6.464,50 1.272,51 5,52 20.308,53 0.191,54 10.011,55 10.011,56 1.465,57 4.141,58 4.141,59 17.65,60 152,62 4.699,63 50.37,64 4,65 3.903,66 6.62,67 6.62,68 5.567,70 7.824}
{0 CHEMBL327241,13 3,14 48.938,16 18.483,17 1,18 11.06,19 11.06,20 11.06,21 7,22 13.413,24 1.909,25 11.184,26 16.659,28 2.819,29 14.849,33 13.059,34 8.072,35 10.501,36 81.205,37 6.375,38 293,39 72,40 4.29,41 4.977,42 7.491,43 4.796,44 4.659,45 9.231,46 3.437,48 33.59,49 6.547,50 2.036,51 5,52 23.91,53 0.169,54 10.38,55 10.38,56 1.281,57 4.199,58 4.199,59 18.502,60 328,62 4.794,63 58,64 5,65 4.079,66 6.768,67 6.768,68 5.592,70 9.097}
{0 CHEMBL327354,13 3,14 13.134,16 17.964,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.813,24 1.454,25 10.697,26 16.152,28 2.468,29 14.355,33 12.578,34 7.57,35 10.032,36 54.689,37 5.994,38 200,39 49,40 3.912,41 4.595,42 7.101,43 4.288,44 4.144,45 8.737,46 3.08,48 20.076,49 6.3,50 1.5,51 1,52 14.242,53 0.199,54 9.367,55 9.367,56 1.233,57 4.14,58 4.14,59 17.644,60 154,62 4.342,63 42.131,64 1,65 3.76,66 6.62,67 6.62,68 5.072,70 6.585}
{0 CHEMBL327392,13 3,14 25.903,16 18.232,17 1,18 10.973,19 10.973,20 10.973,21 5,22 13.037,24 1.5,25 10.93,26 16.402,28 2.5,29 14.587,33 12.792,34 7.801,35 10.243,36 61.893,37 6.111,38 225,39 55,40 4.025,41 4.71,42 7.223,43 4.454,44 4.322,45 8.964,46 3.153,48 23.319,49 6.537,50 1.5,51 1,52 16.935,53 0.191,54 10.32,55 10.32,56 1.182,57 4.187,58 4.187,59 18.374,60 190,62 4.497,63 46.557,64 2,65 3.858,66 6.749,67 6.749,68 5.231,70 7.495}
{0 CHEMBL327478,13 3,16 17.883,17 2,18 10.854,19 10.854,20 10.854,21 5,22 12.777,24 1.433,25 10.65,26 16.079,28 2.445,29 14.292,33 12.527,34 7.526,35 9.986,36 53.559,37 5.989,38 199,39 49,40 3.912,41 4.595,42 7.096,43 4.4,44 4.217,45 8.689,46 3.079,48 23.358,49 6.143,50 1.5,51 1,52 16.737,53 0.199,54 9.056,55 9.056,56 1.049,57 4.134,58 4.134,59 18.006,60 154,62 4.43,63 44.052,65 3.792,66 6.693,67 6.693,68 5.134,70 6}
{0 CHEMBL327484,13 2,14 26.182,16 18.635,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.276,24 1.5,25 11.041,26 16.688,28 2.5,29 14.765,33 12.874,34 7.978,35 10.462,36 53.868,37 5.979,38 197,39 49,40 3.912,41 4.595,42 7.106,43 4.423,44 4.246,45 9.158,46 3.35,48 23.429,49 6.155,50 1.5,52 17.729,53 0.203,54 9.1,55 9.1,56 1.54,57 4.421,58 4.421,59 21.324,60 168,62 4.437,63 44.75,64 3,65 3.796,66 7.641,67 7.641,68 5.185,70 6.921}
{0 CHEMBL327540,13 3,16 17.767,17 2,18 10.481,19 10.481,20 10.481,21 5,22 12.741,24 1.433,25 10.578,26 15.982,28 2.444,29 14.214,33 12.468,34 7.466,35 9.926,36 53.135,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.091,43 4.415,44 4.226,45 8.628,46 3.079,48 24.876,49 6.143,50 1.5,51 1,52 17.195,53 0.199,54 9.055,55 9.055,56 1.084,57 4.1,58 4.1,59 17.382,60 154,62 4.465,63 44.955,65 3.807,66 6.566,67 6.566,68 5.216,70 6.409}
{0 CHEMBL327703,13 1,14 25.653,16 19.126,17 2,18 15.079,19 15.079,20 15.079,21 6,22 13.601,24 1.541,25 11.588,26 17.155,28 2.537,29 15.207,33 13.288,34 8.498,35 10.986,36 64.78,37 6.176,38 240,39 60,40 4.111,41 4.796,42 7.332,43 4.544,44 4.362,45 9.674,46 3.437,48 25.609,49 7.071,50 1.637,52 19.403,53 0.192,54 11.558,55 11.558,56 0.743,57 4.683,58 4.683,59 23.373,60 177,62 4.532,63 49.228,64 1,65 3.907,66 7.898,67 7.898,68 5.258,70 6}
{0 CHEMBL327800,13 3,14 13.474,16 18.12,17 1,18 10.782,19 10.782,20 10.782,21 5,22 12.934,24 1.455,25 10.835,26 16.298,28 2.469,29 14.489,33 12.7,34 7.708,35 10.154,36 57.789,37 6.057,38 213,39 52,40 3.97,41 4.654,42 7.166,43 4.408,44 4.262,45 8.868,46 3.097,48 23.453,49 6.48,50 1.5,51 1,52 16.762,53 0.195,54 10.065,55 10.065,56 1.076,57 4.162,58 4.162,59 18.031,60 172,62 4.451,63 45.103,64 1,65 3.821,66 6.68,67 6.68,68 5.218,70 6.854}
{0 CHEMBL327801,13 3,14 12.878,16 17.938,17 2,18 10.452,19 10.452,20 10.452,21 5,22 12.826,24 1.5,25 10.715,26 16.143,28 2.5,29 14.366,33 12.611,34 7.609,35 10.055,36 62.313,37 6.12,38 227,39 56,40 4.043,41 4.727,42 7.217,43 4.637,44 4.462,45 8.76,46 3.343,48 30.114,49 6.441,50 1.5,51 5,52 20.806,53 0.186,54 9.882,55 9.882,56 1.417,57 4.091,58 4.091,59 17.308,60 216,62 4.64,63 51.393,64 3,65 3.927,66 6.56,67 6.56,68 5.444,70 8.046}
{0 CHEMBL327846,13 3,14 13.174,16 17.964,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.813,24 1.454,25 10.697,26 16.152,28 2.468,29 14.355,33 12.578,34 7.57,35 10.032,36 54.689,37 5.994,38 200,39 49,40 3.912,41 4.595,42 7.101,43 4.319,44 4.167,45 8.737,46 3.097,48 20.993,49 6.3,50 1.5,51 1,52 14.982,53 0.199,54 9.367,55 9.367,56 1.427,57 4.14,58 4.14,59 17.644,60 154,62 4.372,63 42.887,64 1,65 3.777,66 6.62,67 6.62,68 5.09,70 7.174}
{0 CHEMBL327880,13 1,14 25.082,16 18.487,18 13.441,19 13.441,20 13.441,21 2,22 13.06,24 -1.194,25 10.806,26 16.507,28 0.706,29 14.545,33 12.609,34 7.751,35 10.243,36 32.803,37 5.485,38 120,39 30,40 3.434,41 4.111,42 6.624,43 3.444,44 3.27,45 8.947,46 2.78,48 9.156,49 6.144,50 -1.026,52 6.825,53 0.266,54 9.036,55 9.036,56 1.849,57 4.421,58 4.421,59 21.324,60 58,62 3.708,63 28.176,64 3,65 3.326,66 7.641,67 7.641,68 4.256,70 5.398}
{0 CHEMBL327898,13 4,14 12.63,16 17.944,17 2,18 10.452,19 10.452,20 10.452,21 5,22 12.726,24 1.316,25 10.722,26 16.147,28 2.324,29 14.366,33 12.607,34 7.609,35 10.057,36 59.854,37 6.084,38 219,39 54,40 4.007,41 4.691,42 7.179,43 4.574,44 4.361,45 8.777,46 3.259,48 31.418,49 6.464,50 1.5,51 5,52 20.912,53 0.19,54 10.01,55 10.01,56 1.256,57 4.091,58 4.091,59 17.308,60 164,62 4.696,63 50.154,64 3,65 3.898,66 6.56,67 6.56,68 5.535,70 7.337}
{0 CHEMBL328024,13 1,14 40.186,16 19.333,17 1,18 14.483,19 14.483,20 14.483,21 8,22 13.821,24 1.852,25 11.756,26 17.365,28 2.793,29 15.417,33 13.497,34 8.669,35 11.14,36 76.142,37 6.34,38 283,39 70,40 4.263,41 4.949,42 7.502,43 4.686,44 4.521,45 9.842,46 3.421,48 27.035,49 7.644,50 1.951,52 22.43,53 0.179,54 13.459,55 13.459,56 1.131,57 4.578,58 4.578,59 22.431,60 220,62 4.657,63 54.33,64 3,65 4.024,66 7.748,67 7.748,68 5.365,70 7.222}
{0 CHEMBL328025,13 1,14 40.534,16 19.376,17 1,18 14.483,19 14.483,20 14.483,21 8,22 13.838,24 1.87,25 11.801,26 17.403,28 2.759,29 15.45,33 13.523,34 8.697,35 11.169,36 76.221,37 6.344,38 284,39 70,40 4.263,41 4.949,42 7.505,43 4.7,44 4.535,45 9.867,46 3.415,48 28.196,49 7.712,50 1.915,52 23.108,53 0.179,54 13.832,55 13.832,56 1.112,57 4.578,58 4.578,59 22.805,60 215,62 4.68,63 54.33,64 3,65 4.024,66 7.748,67 7.748,68 5.381,70 6.444}
{0 CHEMBL328088,13 3,14 26.285,16 18.635,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.209,24 1.11,25 11.041,26 16.688,28 2.126,29 14.765,33 12.874,34 7.978,35 10.462,36 53.911,37 5.979,38 197,39 49,40 3.912,41 4.595,42 7.106,43 4.554,44 4.349,45 9.158,46 3.359,48 28.465,49 6.155,50 1.411,52 21.08,53 0.203,54 9.1,55 9.1,56 1.425,57 4.421,58 4.421,59 21.324,60 168,62 4.551,63 47.035,64 3,65 3.831,66 7.641,67 7.641,68 5.403,70 6}
{0 CHEMBL328260,13 4,14 48.343,16 18.252,17 1,18 10.631,19 10.631,20 10.631,21 5,22 13.095,24 1.5,25 10.967,26 16.443,28 2.5,29 14.649,33 12.873,34 7.874,35 10.304,36 72.92,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.359,43 4.739,44 4.584,45 9.038,46 3.429,48 33.333,49 6.447,50 1.686,51 5,52 22.834,53 0.178,54 9.928,55 9.928,56 1.303,57 4.14,58 4.14,59 17.644,60 275,62 4.741,63 55.523,64 5,65 4.009,66 6.62,67 6.62,68 5.597,70 9.097}
{0 CHEMBL328297,13 3,14 48.328,16 18.349,17 1,18 10.734,19 10.734,20 10.734,21 5,22 13.246,24 1.739,25 11.048,26 16.533,28 2.773,29 14.731,33 12.948,34 7.953,35 10.38,36 74.907,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.394,43 4.695,44 4.56,45 9.121,46 3.429,48 29.931,49 6.459,50 1.948,51 5,52 21.583,53 0.177,54 9.941,55 9.941,56 1.221,57 4.155,58 4.155,59 17.943,60 288,62 4.702,63 54.097,64 5,65 3.996,66 6.666,67 6.666,68 5.495,70 9.097}
{0 CHEMBL328339,13 1,14 39.401,16 19.297,17 1,18 14.483,19 14.483,20 14.483,21 8,22 13.708,24 1.5,25 11.711,26 17.321,28 2.523,29 15.365,33 13.435,34 8.618,35 11.096,36 71.003,37 6.271,38 264,39 65,40 4.19,41 4.875,42 7.422,43 4.568,44 4.427,45 9.791,46 3.39,48 25.463,49 7.641,50 1.735,52 20.567,53 0.183,54 13.441,55 13.441,56 1.072,57 4.578,58 4.578,59 22.431,60 185,62 4.558,63 49.762,64 4,65 3.944,66 7.748,67 7.748,68 5.347,70 6.699}
{0 CHEMBL328373,12 1,13 3,14 12.941,16 17.965,17 1,18 10.632,19 10.632,20 10.632,21 5,22 12.81,24 1,25 10.695,26 16.152,28 2.118,29 14.354,33 12.575,34 7.57,35 10.031,36 53.215,37 5.974,38 196,39 48,40 3.892,41 4.575,42 7.074,43 4.206,44 4.078,45 8.751,46 3.054,48 18.441,49 6.301,50 1.409,51 1,52 13.401,53 0.202,54 9.371,55 9.371,56 0.982,57 4.141,58 4.141,59 17.65,60 145,62 4.277,63 40.58,64 1,65 3.728,66 6.62,67 6.62,68 5.012,70 7.26}
{0 CHEMBL328438,13 1,14 52.076,16 19.485,17 1,18 15.079,19 15.079,20 15.079,21 6,22 13.898,24 1.6,25 11.86,26 17.49,28 2.59,29 15.51,33 13.553,34 8.772,35 11.27,36 67.201,37 6.229,38 253,39 63,40 4.159,41 4.844,42 7.402,43 4.551,44 4.383,45 9.958,46 3.464,48 24.846,49 7.642,50 1.635,52 20.27,53 0.191,54 13.441,55 13.441,56 1.188,57 4.683,58 4.683,59 23.373,60 172,62 4.551,63 49.165,64 4,65 3.921,66 7.898,67 7.898,68 5.271,70 5.886}
{0 CHEMBL328445,13 3,14 34.847,16 18.076,17 2,18 10.452,19 10.452,20 10.452,21 5,22 13.064,24 1.616,25 10.839,26 16.284,28 2.626,29 14.507,33 12.751,34 7.753,35 10.183,36 69.953,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.319,43 4.683,44 4.522,45 8.908,46 3.428,48 31.741,49 6.447,50 1.733,51 5,52 21.827,53 0.179,54 9.928,55 9.928,56 1.156,57 4.091,58 4.091,59 17.309,60 262,62 4.693,63 53.546,64 4,65 3.977,66 6.56,67 6.56,68 5.508,70 10}
{0 CHEMBL328888,12 1,13 2,14 26.066,16 18.635,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.274,24 1.107,25 11.04,26 16.688,28 2.181,29 14.764,33 12.872,34 7.978,35 10.461,36 52.354,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.079,43 4.358,44 4.147,45 9.167,46 3.325,48 21.449,49 6.158,50 1.456,52 17.645,53 0.206,54 9.107,55 9.107,56 1.556,57 4.421,58 4.421,59 21.324,60 158,62 4.394,63 43.637,64 3,65 3.77,66 7.641,67 7.641,68 5.066,70 6.398}
{0 CHEMBL328898,13 1,14 52.342,16 19.502,17 1,18 15.079,19 15.079,20 15.079,21 8,22 13.94,24 1.62,25 11.891,26 17.512,28 2.593,29 15.54,33 13.592,34 8.805,35 11.303,36 72.553,37 6.308,38 274,39 68,40 4.234,41 4.92,42 7.476,43 4.576,44 4.44,45 9.993,46 3.464,48 25.544,49 7.641,50 1.746,52 20.717,53 0.183,54 13.441,55 13.441,56 1.035,57 4.683,58 4.683,59 23.373,60 186,62 4.563,63 50.216,64 5,65 3.96,66 7.898,67 7.898,68 5.365,70 7.097}
{0 CHEMBL328908,12 1,13 1,14 51.768,16 19.455,17 1,18 15.079,19 15.079,20 15.079,21 6,22 13.859,24 1.456,25 11.824,26 17.456,28 2.5,29 15.473,33 13.512,34 8.738,35 11.239,36 63.648,37 6.18,38 241,39 60,40 4.111,41 4.796,42 7.347,43 4.44,44 4.238,45 9.927,46 3.463,48 22.641,49 7.641,50 1.5,52 19.421,53 0.195,54 13.441,55 13.441,56 1.211,57 4.683,58 4.683,59 23.373,60 158,62 4.464,63 47.193,64 4,65 3.88,66 7.898,67 7.898,68 5.149,70 6.959}
{0 CHEMBL329107,13 4,14 13.134,16 17.955,17 1,18 10.626,19 10.626,20 10.626,21 4,22 12.685,24 1,25 10.674,26 16.142,28 2,29 14.342,33 12.561,34 7.57,35 10.004,36 50.739,37 5.932,38 188,39 46,40 3.85,41 4.533,42 7.036,43 4.377,44 4.201,45 8.731,46 3.089,48 23.377,49 6.292,50 1.057,51 1,52 16.217,53 0.208,54 9.306,55 9.306,56 1.615,57 4.138,58 4.138,59 17.616,60 145,62 4.427,63 44.171,64 1,65 3.768,66 6.619,67 6.619,68 5.208,70 7.244}
{0 CHEMBL329131,13 3,14 26.723,16 18.756,17 1,18 13.653,19 13.653,20 13.653,21 5,22 13.339,24 1.5,25 11.202,26 16.809,28 2.5,29 14.886,33 12.992,34 8.1,35 10.595,36 56.241,37 6.047,38 211,39 52,40 3.97,41 4.654,42 7.179,43 4.374,44 4.222,45 9.288,46 3.347,48 21.7,49 6.538,50 1.5,51 1,52 16.832,53 0.198,54 10.33,55 10.33,56 1.494,57 4.459,58 4.459,59 21.727,60 163,62 4.441,63 43.989,64 3,65 3.807,66 7.672,67 7.672,68 5.161,70 6.818}
{0 CHEMBL329140,13 3,14 26.856,16 18.394,17 1,18 11.06,19 11.06,20 11.06,21 7,22 13.252,24 1.836,25 11.098,26 16.565,28 2.753,29 14.751,33 12.958,34 7.97,35 10.409,36 73.559,37 6.293,38 270,39 66,40 4.205,41 4.89,42 7.405,43 4.755,44 4.607,45 9.125,46 3.399,48 32.05,49 6.547,50 1.907,51 5,52 22.845,53 0.174,54 10.38,55 10.38,56 1.521,57 4.199,58 4.199,59 18.502,60 279,62 4.745,63 55.847,64 4,65 4.034,66 6.768,67 6.768,68 5.534,70 8.398}
{0 CHEMBL329146,13 1,14 38.953,16 19.277,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.684,24 1.443,25 11.677,26 17.299,28 2.459,29 15.34,33 13.407,34 8.592,35 11.067,36 66.475,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.356,43 4.554,44 4.372,45 9.771,46 3.355,48 23.274,49 7.642,50 1.498,52 20.406,53 0.193,54 13.442,55 13.442,56 1.1,57 4.578,58 4.578,59 22.431,60 165,62 4.531,63 48.455,64 3,65 3.897,66 7.748,67 7.748,68 5.204,70 5.398}
{0 CHEMBL329190,13 2,14 26.607,16 18.738,17 1,18 13.441,19 13.441,20 13.441,21 6,22 13.474,24 1.5,25 11.184,26 16.806,28 2.5,29 14.897,33 13.02,34 8.116,35 10.591,36 61.856,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.268,43 4.615,44 4.449,45 9.293,46 3.452,48 27.37,49 6.29,50 1.507,52 20.893,53 0.189,54 9.579,55 9.579,56 1.529,57 4.421,58 4.421,59 21.325,60 208,62 4.585,63 49.512,64 3,65 3.913,66 7.641,67 7.641,68 5.343,70 6.143}
{0 CHEMBL329382,13 3,14 12.191,16 17.92,17 2,18 10.504,19 10.504,20 10.504,21 5,22 12.877,24 1.5,25 10.701,26 16.13,28 2.5,29 14.355,33 12.599,34 7.6,35 10.044,36 58.878,37 6.066,38 215,39 53,40 3.989,41 4.673,42 7.172,43 4.487,44 4.328,45 8.76,46 3.154,48 25.699,49 6.143,50 1.5,51 1,52 18.104,53 0.193,54 9.055,55 9.055,56 1.001,57 4.11,58 4.11,59 17.437,60 181,62 4.517,63 46.864,64 1,65 3.854,66 6.573,67 6.573,68 5.299,70 6}
{0 CHEMBL329417,13 4,14 26.327,16 18.137,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.865,24 1.427,25 10.859,26 16.325,28 2.439,29 14.527,33 12.75,34 7.748,35 10.191,36 65.34,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.262,43 4.695,44 4.528,45 8.908,46 3.344,48 31.786,49 6.441,50 1.5,51 5,52 21.854,53 0.184,54 9.882,55 9.882,56 1.574,57 4.14,58 4.14,59 17.644,60 228,62 4.69,63 53.37,64 4,65 3.961,66 6.62,67 6.62,68 5.539,70 8.398}
{0 CHEMBL329555,13 3,14 12.975,16 17.965,17 1,18 10.632,19 10.632,20 10.632,21 5,22 12.81,24 1,25 10.695,26 16.152,28 2.118,29 14.354,33 12.575,34 7.57,35 10.031,36 53.215,37 5.974,38 196,39 48,40 3.892,41 4.575,42 7.074,43 4.221,44 4.087,45 8.751,46 3.041,48 18.667,49 6.301,50 1.409,51 1,52 13.491,53 0.202,54 9.371,55 9.371,56 0.915,57 4.141,58 4.141,59 17.65,60 145,62 4.278,63 40.58,64 1,65 3.728,66 6.62,67 6.62,68 5.018,70 7.481}
{0 CHEMBL329813,13 3,14 13.31,16 18.092,17 1,18 10.733,19 10.733,20 10.733,21 5,22 12.918,24 1.455,25 10.802,26 16.271,28 2.469,29 14.464,33 12.677,34 7.676,35 10.131,36 56.679,37 6.033,38 208,39 51,40 3.951,41 4.635,42 7.146,43 4.357,44 4.208,45 8.848,46 3.097,48 21.137,49 6.458,50 1.5,51 1,52 15.454,53 0.198,54 9.927,55 9.927,56 1.129,57 4.155,58 4.155,59 17.942,60 163,62 4.402,63 43.745,64 1,65 3.796,66 6.666,67 6.666,68 5.1,70 7.284}
{0 CHEMBL329893,13 4,14 48.148,16 18.252,17 1,18 10.632,19 10.632,20 10.632,21 5,22 13.096,24 1.5,25 10.966,26 16.443,28 2.5,29 14.648,33 12.871,34 7.874,35 10.303,36 71.324,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.339,43 4.69,44 4.541,45 9.048,46 3.427,48 31.321,49 6.447,50 1.683,51 5,52 21.531,53 0.18,54 9.928,55 9.928,56 1.338,57 4.141,58 4.141,59 17.65,60 262,62 4.696,63 53.762,64 5,65 3.981,66 6.62,67 6.62,68 5.541,70 9.699}
{0 CHEMBL330065,13 3,16 17.962,17 2,18 10.512,19 10.512,20 10.512,21 6,22 12.948,24 1.5,25 10.755,26 16.17,28 2.5,29 14.394,33 12.637,34 7.636,35 10.094,36 60.837,37 6.125,38 228,39 56,40 4.043,41 4.727,42 7.225,43 4.598,44 4.409,45 8.8,46 3.504,48 28.389,49 6.147,50 1.5,51 1,52 20.674,53 0.186,54 9.087,55 9.087,56 1.041,57 4.113,58 4.113,59 17.458,60 190,62 4.61,63 49.603,65 3.92,66 6.574,67 6.574,68 5.331,70 6.658}
{0 CHEMBL330285,13 3,14 13.333,16 18.014,17 1,18 10.632,19 10.632,20 10.632,21 5,22 12.9,24 1.467,25 10.754,26 16.208,28 2.48,29 14.417,33 12.646,34 7.65,35 10.091,36 57.789,37 6.052,38 212,39 52,40 3.97,41 4.654,42 7.162,43 4.364,44 4.235,45 8.809,46 3.134,48 20.988,49 6.302,50 1.5,51 1,52 15.213,53 0.195,54 9.379,55 9.379,56 1.152,57 4.141,58 4.141,59 17.647,60 178,62 4.402,63 45.103,64 1,65 3.821,66 6.62,67 6.62,68 5.157,70 6}
{0 CHEMBL330486,13 2,14 26.468,16 18.738,17 1,18 13.441,19 13.441,20 13.441,21 6,22 13.415,24 1.5,25 11.182,26 16.806,28 2.5,29 14.897,33 13.018,34 8.116,35 10.595,36 61.178,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.245,43 4.505,44 4.366,45 9.304,46 3.374,48 24.404,49 6.295,50 1.5,52 18.911,53 0.192,54 9.592,55 9.592,56 1.174,57 4.421,58 4.421,59 21.325,60 198,62 4.5,63 46.659,64 4,65 3.858,66 7.641,67 7.641,68 5.299,70 6.523}
{0 CHEMBL330528,13 2,14 39.681,16 19.307,17 1,18 14.483,19 14.483,20 14.483,21 7,22 13.651,24 1.5,25 11.722,26 17.323,28 2.5,29 15.358,33 13.418,34 8.609,35 11.096,36 66.108,37 6.213,38 249,39 61,40 4.127,41 4.812,42 7.367,43 4.473,44 4.323,45 9.782,46 3.362,48 22.73,49 7.672,50 1.5,51 1,52 18.487,53 0.189,54 13.653,55 13.653,56 1.262,57 4.578,58 4.578,59 22.557,60 153,62 4.507,63 47.091,64 3,65 3.896,66 7.748,67 7.748,68 5.217,70 6.921}
{0 CHEMBL330570,13 1,14 40.211,16 19.331,17 1,18 14.483,19 14.483,20 14.483,21 7,22 13.8,24 1.769,25 11.753,26 17.364,28 2.701,29 15.417,33 13.498,34 8.669,35 11.138,36 78.767,37 6.368,38 291,39 72,40 4.29,41 4.977,42 7.523,43 4.706,44 4.559,45 9.839,46 3.502,48 26.376,49 7.642,50 1.89,52 22.799,53 0.175,54 13.442,55 13.442,56 1.148,57 4.578,58 4.578,59 22.431,60 276,62 4.692,63 57.091,64 3,65 4.068,66 7.748,67 7.748,68 5.383,70 7.398}
{0 CHEMBL330734,13 1,14 52.663,16 19.498,17 1,18 15.079,19 15.079,20 15.079,21 6,22 13.927,24 1.622,25 11.883,26 17.506,28 2.596,29 15.531,33 13.58,34 8.797,35 11.289,36 70.557,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.447,43 4.679,44 4.508,45 9.981,46 3.464,48 28.795,49 7.667,50 1.731,52 23.476,53 0.187,54 13.614,55 13.614,56 1.087,57 4.683,58 4.683,59 23.373,60 182,62 4.679,63 51.784,64 4,65 3.966,66 7.898,67 7.898,68 5.415,70 6.796}
{0 CHEMBL331007,13 1,14 38.987,16 18.914,17 1,18 13.201,19 13.201,20 13.201,21 4,22 13.462,24 1.5,25 11.347,26 16.97,28 2.5,29 15.043,33 13.143,34 8.345,35 10.781,36 65.839,37 6.155,38 235,39 59,40 4.094,41 4.779,42 7.291,43 4.731,44 4.55,45 9.496,46 3.435,48 33.2,49 7.285,50 1.5,51 4,52 24.502,53 0.187,54 12.381,55 12.381,56 1.327,57 4.443,58 4.443,59 20.579,60 240,62 4.712,63 53.705,64 4,65 3.967,66 7.476,67 7.476,68 5.544,70 4.62}
{0 CHEMBL331140,13 1,14 13.273,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.216,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.386,44 4.194,45 9.353,46 3.177,48 24.843,49 6.784,50 1.277,51 4,52 18.023,53 0.201,54 10.975,55 10.975,56 1.174,57 4.41,58 4.41,59 20.555,60 161,62 4.54,63 47.984,64 1,65 3.841,66 7.472,67 7.472,68 5.291,70 7.319}
{0 CHEMBL331754,13 3,14 61.875,16 18.817,17 1,18 13.614,19 13.614,20 13.614,21 4,22 13.524,24 1.643,25 11.274,26 16.89,28 2.636,29 14.989,33 13.119,34 8.215,35 10.666,36 73.958,37 6.26,38 261,39 65,40 4.19,41 4.875,42 7.38,43 4.844,44 4.672,45 9.381,46 3.465,48 37.398,49 6.447,50 1.708,51 4,52 27.222,53 0.178,54 9.928,55 9.928,56 1.347,57 4.375,58 4.375,59 21.599,60 301,62 4.848,63 57.62,64 5,65 4.042,66 7.667,67 7.667,68 5.674,70 5.143}
{0 CHEMBL332458,13 4,14 60.247,16 18.74,17 1,18 13.086,19 13.086,20 13.086,21 3,22 13.429,24 1.5,25 11.161,26 16.82,28 2.5,29 14.924,33 13.056,34 8.148,35 10.593,36 67.257,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.279,43 4.72,44 4.538,45 9.331,46 3.39,48 33.445,49 6.447,50 1.5,51 4,52 24.097,53 0.191,54 9.928,55 9.928,56 1.432,57 4.329,58 4.329,59 20.646,60 249,62 4.706,63 53.62,64 5,65 3.95,66 7.59,67 7.59,68 5.577,70 4.824}
{0 CHEMBL332908,13 3,14 58.757,16 18.372,17 1,18 11.38,19 11.38,20 11.38,21 3,22 13.33,24 1.5,25 10.922,26 16.517,28 2.5,29 14.679,33 12.862,34 7.962,35 10.389,36 64.313,37 6.089,38 220,39 56,40 4.043,41 4.727,42 7.216,43 4.589,44 4.411,45 9.148,46 3.364,48 29.483,49 6.447,50 1.5,51 4,52 21.387,53 0.195,54 9.928,55 9.928,56 1.166,57 4.164,58 4.164,59 18.29,60 226,62 4.61,63 50.097,64 5,65 3.889,66 7.06,67 7.06,68 5.463,70 5.222}
{0 CHEMBL33330,13 2,14 52.619,16 19.51,17 1,18 15.079,19 15.079,20 15.079,21 7,22 13.895,24 1.5,25 11.901,26 17.514,28 2.5,29 15.535,33 13.577,34 8.797,35 11.303,36 67.585,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.424,43 4.482,44 4.337,45 9.985,46 3.46,48 22.803,49 7.672,50 1.619,51 1,52 18.659,53 0.188,54 13.653,55 13.653,56 1.163,57 4.683,58 4.683,59 23.373,60 159,62 4.512,63 47.546,64 4,65 3.914,66 7.898,67 7.898,68 5.238,70 5}
{0 CHEMBL33335,13 2,14 52.619,16 19.51,17 1,18 15.079,19 15.079,20 15.079,21 7,22 13.895,24 1.5,25 11.901,26 17.514,28 2.5,29 15.535,33 13.577,34 8.797,35 11.303,36 67.585,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.424,43 4.482,44 4.337,45 9.985,46 3.46,48 22.803,49 7.672,50 1.619,51 1,52 18.659,53 0.188,54 13.653,55 13.653,56 1.163,57 4.683,58 4.683,59 23.373,60 159,62 4.512,63 47.546,64 4,65 3.914,66 7.898,67 7.898,68 5.238,70 5}
{0 CHEMBL333619,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.321,16 18.123,17 2,18 10.689,19 10.689,20 10.689,21 6,22 12.986,23 4,24 1.5,25 10.896,26 16.325,27 2,28 2.5,29 14.542,30 2,31 1,32 1,33 12.778,34 7.784,35 10.247,36 65.821,37 6.205,38 247,39 61,40 4.127,41 4.812,42 7.344,43 4.665,44 4.492,45 8.967,46 3.504,48 31.049,49 6.318,50 1.5,51 1,52 22.396,53 0.181,54 9.478,55 9.478,56 0.903,57 4.141,58 4.141,59 17.625,60 237,61 1,62 4.678,63 53.04,65 3.981,66 6.632,67 6.632,68 5.477,69 42.683,70 9.638}
{0 CHEMBL334470,13 2,14 24.601,16 19.087,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.46,24 1.383,25 11.546,26 17.16,28 2.442,29 15.248,33 13.356,34 8.523,35 10.962,36 63.554,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.362,43 4.225,44 4.136,45 9.709,46 3.171,48 18.03,49 7.111,50 1.5,51 4,52 14.096,53 0.2,54 11.659,55 11.659,56 0.642,57 4.416,58 4.416,59 20.69,60 180,62 4.345,63 44.642,64 1,65 3.804,66 7.475,67 7.475,68 5.152,70 8.569}
{0 CHEMBL335120,13 1,14 13.304,16 18.781,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.268,24 1.04,25 11.299,26 16.865,28 2.132,29 14.969,33 13.097,34 8.236,35 10.657,36 62.121,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.261,43 4.403,44 4.222,45 9.388,46 3.195,48 24.298,49 6.794,50 1.372,51 4,52 17.495,53 0.199,54 11.022,55 11.022,56 1.021,57 4.41,58 4.41,59 20.557,60 170,62 4.517,63 48.234,64 2,65 3.842,66 7.472,67 7.472,68 5.279,70 8.678}
{0 CHEMBL335365,13 1,14 13.185,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.866,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.313,44 4.139,45 9.353,46 3.152,48 20.613,49 6.784,50 1.277,51 4,52 16.419,53 0.201,54 10.975,55 10.975,56 0.969,57 4.409,58 4.409,59 20.555,60 161,62 4.469,63 46.41,64 1,65 3.803,66 7.472,67 7.472,68 5.122,70 9.523}
{0 CHEMBL335562,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.3,15 1,16 18.193,17 2,18 10.707,19 10.707,20 10.707,21 5,22 12.895,23 4,24 1.423,25 10.932,26 16.378,27 2,28 2.429,29 14.577,30 1,31 1,33 12.797,34 7.813,35 10.258,36 62.724,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.302,43 4.564,44 4.415,45 8.983,46 3.382,48 28.728,49 6.499,50 1.5,51 5,52 19.699,53 0.188,54 10.178,55 10.178,56 0.75,57 4.146,58 4.146,59 17.669,60 186,61 1,62 4.674,63 50.342,64 1,65 3.91,66 6.636,67 6.636,68 5.476,69 42.683,70 7.959}
{0 CHEMBL335794,13 1,14 13.076,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.957,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.291,44 4.128,45 9.353,46 3.151,48 20.393,49 6.784,50 1.277,51 4,52 15.646,53 0.201,54 10.975,55 10.975,56 0.852,57 4.409,58 4.409,59 20.555,60 161,62 4.44,63 45.421,64 1,65 3.794,66 7.472,67 7.472,68 5.124,70 9.398}
{0 CHEMBL336246,9 1,13 1,14 13.263,16 18.781,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.268,24 1.04,25 11.299,26 16.865,28 2.132,29 14.969,33 13.097,34 8.236,35 10.657,36 62.128,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.261,43 4.379,44 4.208,45 9.388,46 3.172,48 23.946,49 6.794,50 1.372,51 4,52 17.409,53 0.199,54 11.022,55 11.022,56 0.968,57 4.41,58 4.41,59 20.557,60 170,62 4.521,63 47.682,64 1,65 3.839,66 7.472,67 7.472,68 5.291,69 42.683,70 8.155}
{0 CHEMBL336672,13 1,14 25.321,16 18.817,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.333,24 1.038,25 11.324,26 16.9,28 2.132,29 15.001,33 13.126,34 8.258,35 10.681,36 62.75,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.265,43 4.381,44 4.202,45 9.412,46 3.188,48 24.372,49 6.858,50 1.313,51 4,52 17.637,53 0.199,54 11.226,55 11.226,56 1.09,57 4.41,58 4.41,59 20.588,60 170,62 4.532,63 47.682,64 1,65 3.837,66 7.472,67 7.472,68 5.302,70 7.398}
{0 CHEMBL337340,13 1,14 13.084,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.215,24 1,25 11.268,26 16.842,28 2,29 14.941,33 13.064,34 8.207,35 10.625,36 58.902,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.21,43 4.2,44 4.043,45 9.353,46 3.081,48 18.693,49 6.784,50 1.258,51 4,52 14.176,53 0.203,54 10.975,55 10.975,56 0.921,57 4.409,58 4.409,59 20.555,60 160,62 4.37,63 44.563,64 1,65 3.778,66 7.472,67 7.472,68 5.035,69 32.897,70 8.469}
{0 CHEMBL337364,13 1,14 13.319,16 18.882,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.349,24 1.241,25 11.395,26 16.97,28 2.35,29 15.074,33 13.2,34 8.407,35 10.814,36 64.445,37 6.142,38 232,39 59,40 4.094,41 4.779,42 7.311,43 4.6,44 4.383,45 9.563,46 3.19,48 32.233,49 6.784,50 1.444,51 4,52 23.038,53 0.198,54 10.975,55 10.975,56 1.183,57 4.41,58 4.41,59 20.555,60 163,62 4.714,63 51.506,64 1,65 3.905,66 7.472,67 7.472,68 5.537,70 8.046}
{0 CHEMBL337776,13 1,14 24.857,16 18.781,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.308,24 1.04,25 11.299,26 16.865,28 2.132,29 14.969,33 13.097,34 8.236,35 10.657,36 62.893,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.261,43 4.334,44 4.174,45 9.388,46 3.195,48 20.775,49 6.794,50 1.387,51 4,52 16.778,53 0.199,54 11.022,55 11.022,56 0.844,57 4.409,58 4.409,59 20.557,60 170,62 4.479,63 46.864,64 1,65 3.815,66 7.472,67 7.472,68 5.166,70 9.155}
{0 CHEMBL337820,13 2,14 13.252,16 19.297,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.583,24 1.494,25 11.724,26 17.363,28 2.5,29 15.44,33 13.535,34 8.726,35 11.174,36 67.193,37 6.263,38 262,39 67,40 4.22,41 4.905,42 7.46,43 4.318,44 4.231,45 9.924,46 3.205,48 21.352,49 7.133,50 1.5,51 4,52 15.761,53 0.195,54 11.805,55 11.805,56 0.592,57 4.416,58 4.416,59 20.696,60 212,62 4.416,63 46.813,64 2,65 3.864,66 7.475,67 7.475,68 5.28,70 8}
{0 CHEMBL341758,13 2,14 13.235,16 18.769,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.236,24 1.256,25 11.281,26 16.853,28 2.365,29 14.956,33 13.086,34 8.227,35 10.642,36 63.407,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.27,43 4.554,44 4.374,45 9.373,46 3.169,48 27.674,49 6.784,50 1.499,51 4,52 19.89,53 0.196,54 10.975,55 10.975,56 1.223,57 4.409,58 4.409,59 20.555,60 165,62 4.596,63 49.995,64 2,65 3.874,66 7.472,67 7.472,68 5.39,70 8.092}
{0 CHEMBL341928,13 1,14 24.95,16 18.776,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.27,24 1.261,25 11.289,26 16.861,28 2.372,29 14.966,33 13.098,34 8.236,35 10.65,36 65.37,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.288,43 4.48,44 4.345,45 9.381,46 3.192,48 24.366,49 6.784,50 1.5,51 4,52 17.736,53 0.194,54 10.975,55 10.975,56 1.054,57 4.41,58 4.41,59 20.555,60 192,61 1,62 4.578,63 50.444,64 1,65 3.892,66 7.472,67 7.472,68 5.349,69 18.011,70 7.481}
{0 CHEMBL341945,13 1,14 25.292,16 18.945,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.462,24 1.291,25 11.467,26 17.035,28 2.388,29 15.141,33 13.268,34 8.46,35 10.875,36 66.094,37 6.196,38 245,39 62,40 4.143,41 4.828,42 7.365,43 4.233,44 4.159,45 9.624,46 3.131,48 19.63,49 6.858,50 1.5,51 4,52 13.112,53 0.194,54 11.226,55 11.226,56 0.668,57 4.41,58 4.41,59 20.588,60 201,62 4.419,63 46.597,64 1,65 3.849,66 7.472,67 7.472,68 5.235,70 8.119}
{0 CHEMBL342137,13 2,14 13.284,16 19.087,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.425,24 1.369,25 11.546,26 17.16,28 2.434,29 15.248,33 13.356,34 8.523,35 10.962,36 62.754,37 6.18,38 241,39 61,40 4.127,41 4.812,42 7.362,43 4.323,44 4.197,45 9.709,46 3.175,48 21.936,49 7.111,50 1.499,51 4,52 15.685,53 0.2,54 11.659,55 11.659,56 0.75,57 4.416,58 4.416,59 20.69,60 180,62 4.419,63 47.001,64 2,65 3.84,66 7.475,67 7.475,68 5.264,70 8}
{0 CHEMBL342452,11 1,13 1,14 13.208,16 18.76,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.21,24 1,25 11.263,26 16.84,28 2,29 14.938,33 13.061,34 8.207,35 10.621,36 57.828,37 6.043,38 210,39 52,40 3.97,41 4.654,42 7.195,43 4.168,44 4.009,45 9.352,46 3.101,48 18.369,49 6.784,50 1.234,51 4,52 13.742,53 0.206,54 10.975,55 10.975,56 1.079,57 4.409,58 4.409,59 20.555,60 160,62 4.32,63 44.461,64 1,65 3.778,66 7.472,67 7.472,68 5.001,69 42.806,70 7.108}
{0 CHEMBL342706,13 1,14 36.585,16 18.913,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.585,24 1.377,25 11.447,26 17.005,28 2.444,29 15.114,33 13.245,34 8.442,35 10.857,36 69.689,37 6.209,38 248,39 63,40 4.159,41 4.844,42 7.373,43 4.476,44 4.309,45 9.604,46 3.278,48 26.533,49 6.797,50 1.5,51 4,52 19.182,53 0.191,54 11.044,55 11.044,56 0.747,57 4.41,58 4.41,59 20.559,60 210,62 4.62,63 51.796,64 3,65 3.919,66 7.472,67 7.472,68 5.409,69 16.405,70 6.502}
{0 CHEMBL342842,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.3,15 1,16 18.193,17 2,18 10.707,19 10.707,20 10.707,21 5,22 12.895,23 4,24 1.423,25 10.932,26 16.378,27 2,28 2.429,29 14.577,30 1,31 1,33 12.797,34 7.813,35 10.258,36 62.724,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.302,43 4.553,44 4.408,45 8.983,46 3.386,48 28.494,49 6.499,50 1.5,51 5,52 19.141,53 0.188,54 10.178,55 10.178,56 0.784,57 4.146,58 4.146,59 17.669,60 186,61 1,62 4.686,63 50.342,64 2,65 3.91,66 6.636,67 6.636,68 5.504,69 42.683,70 7.481}
{0 CHEMBL343160,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.534,16 18.266,17 2,18 11.107,19 11.107,20 11.107,21 5,22 12.839,23 4,24 1.431,25 10.971,26 16.428,27 2,28 2.437,29 14.606,30 2,31 1,33 12.806,34 7.83,35 10.265,36 62.891,37 6.146,38 233,39 57,40 4.06,41 4.745,42 7.252,43 4.656,44 4.48,45 8.974,46 3.394,48 32.203,49 6.5,50 1.5,51 5,52 21.519,53 0.187,54 10.18,55 10.18,56 0.968,57 4.179,58 4.179,59 18.137,60 186,61 1,62 4.766,63 52.921,64 1,65 3.948,66 6.774,67 6.774,68 5.578,69 42.683,70 7}
{0 CHEMBL343366,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.274,15 1,16 18.19,17 2,18 10.707,19 10.707,20 10.707,21 5,22 12.892,23 4,24 1.207,25 10.925,26 16.375,27 2,28 2.234,29 14.574,30 1,31 1,33 12.793,34 7.813,35 10.252,36 61.346,37 6.138,38 231,39 57,40 4.06,41 4.745,42 7.288,43 4.52,44 4.379,45 8.981,46 3.322,48 27.253,49 6.493,50 1.5,51 5,52 18.605,53 0.19,54 10.136,55 10.136,56 0.826,57 4.146,58 4.146,59 17.669,60 188,61 1,62 4.621,63 48.58,64 3,65 3.879,66 6.636,67 6.636,68 5.438,69 42.683,70 7}
{0 CHEMBL343520,13 1,14 13.352,16 18.79,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.278,24 1.04,25 11.311,26 16.875,28 2.132,29 14.98,33 13.11,34 8.25,35 10.667,36 63.464,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.279,43 4.391,44 4.233,45 9.397,46 3.165,48 23.487,49 6.795,50 1.387,51 4,52 16.989,53 0.196,54 11.032,55 11.032,56 0.998,57 4.41,58 4.41,59 20.558,60 196,62 4.544,63 48.688,64 4,65 3.851,66 7.472,67 7.472,68 5.306,70 8.276}
{0 CHEMBL343745,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.313,15 1,16 18.663,17 2,18 11.708,19 11.708,20 11.708,21 5,22 13.204,23 4,24 1.6,25 11.265,26 16.798,27 2,28 2.571,29 14.95,30 1,31 1,33 13.122,34 8.22,35 10.673,36 69.333,37 6.267,38 263,39 66,40 4.205,41 4.89,42 7.435,43 4.646,44 4.544,45 9.417,46 3.404,48 30.646,49 6.636,50 1.68,51 5,52 22.47,53 0.182,54 10.707,55 10.707,56 0.692,57 4.179,58 4.179,59 18.825,60 197,61 1,62 4.767,63 51.915,64 3,65 3.963,66 7.119,67 7.119,68 5.671,69 42.683,70 6.347}
{0 CHEMBL343826,13 1,14 25.312,16 18.817,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.333,24 1.038,25 11.324,26 16.9,28 2.132,29 15.001,33 13.126,34 8.258,35 10.681,36 62.769,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.265,43 4.353,44 4.19,45 9.412,46 3.188,48 23.81,49 6.858,50 1.313,51 4,52 16.323,53 0.199,54 11.226,55 11.226,56 1.053,57 4.41,58 4.41,59 20.588,60 170,62 4.517,63 47.188,64 1,65 3.832,66 7.472,67 7.472,68 5.305,70 8.252}
{0 CHEMBL344261,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.297,15 2,16 18.217,17 2,18 10.707,19 10.707,20 10.707,21 5,22 12.962,23 4,24 1.455,25 10.961,26 16.407,27 2,28 2.458,29 14.611,30 1,31 1,33 12.835,34 7.856,35 10.291,36 64.622,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.335,43 4.573,44 4.443,45 9.026,46 3.397,48 28.972,49 6.501,50 1.5,51 5,52 20.147,53 0.186,54 10.183,55 10.183,56 0.69,57 4.146,58 4.146,59 17.669,60 213,61 1,62 4.701,63 50.279,64 3,65 3.918,66 6.636,67 6.636,68 5.547,69 42.683,70 7.481}
{0 CHEMBL344435,13 2,14 13.239,16 18.794,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.272,24 1.264,25 11.314,26 16.882,28 2.375,29 14.99,33 13.123,34 8.278,35 10.688,36 65.222,37 6.168,38 238,39 59,40 4.094,41 4.779,42 7.313,43 4.518,44 4.345,45 9.425,46 3.173,48 26.463,49 6.784,50 1.5,51 4,52 19.188,53 0.191,54 10.975,55 10.975,56 1.185,57 4.409,58 4.409,59 20.555,60 164,62 4.581,63 49.234,64 2,65 3.884,66 7.472,67 7.472,68 5.347,70 7.959}
{0 CHEMBL344607,13 2,14 13.62,16 19.143,17 2,18 13.208,19 13.208,20 13.208,21 5,22 13.537,24 1.5,25 11.618,26 17.222,28 2.5,29 15.316,33 13.43,34 8.585,35 11.026,36 71.719,37 6.312,38 275,39 69,40 4.248,41 4.934,42 7.484,43 4.466,44 4.349,45 9.766,46 3.26,48 25.334,49 7.111,50 1.652,51 4,52 18.358,53 0.184,54 11.659,55 11.659,56 0.805,57 4.416,58 4.416,59 20.691,60 242,62 4.596,63 52.762,64 2,65 3.971,66 7.475,67 7.475,68 5.408,70 7.921}
{0 CHEMBL344641,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.311,15 1,16 18.66,17 2,18 11.66,19 11.66,20 11.66,21 5,22 13.202,23 4,24 1.5,25 11.259,26 16.796,27 2,28 2.5,29 14.948,30 1,31 1,33 13.121,34 8.22,35 10.67,36 69.251,37 6.267,38 263,39 66,40 4.205,41 4.89,42 7.435,43 4.648,44 4.544,45 9.415,46 3.407,48 30.547,49 6.636,50 1.681,51 5,52 21.906,53 0.182,54 10.707,55 10.707,56 0.697,57 4.172,58 4.172,59 18.626,60 220,61 1,62 4.743,63 51.915,64 3,65 3.963,66 7.111,67 7.111,68 5.628,69 42.683,70 7}
{0 CHEMBL348667,13 2,14 13.182,16 18.812,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.244,24 1.129,25 11.314,26 16.895,28 2.386,29 14.996,33 13.12,34 8.253,35 10.675,36 59.959,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.236,43 4.247,44 4.084,45 9.411,46 3.125,48 21.029,49 6.784,50 1.278,51 4,52 13.952,53 0.205,54 10.975,55 10.975,56 0.904,57 4.416,58 4.416,59 20.688,60 186,62 4.38,63 44.91,64 2,65 3.78,66 7.475,67 7.475,68 5.146,70 7.699}
{0 CHEMBL349008,13 1,14 13.185,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.866,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.313,44 4.139,45 9.353,46 3.152,48 20.613,49 6.784,50 1.277,51 4,52 16.419,53 0.201,54 10.975,55 10.975,56 0.969,57 4.409,58 4.409,59 20.555,60 161,62 4.469,63 46.41,64 1,65 3.803,66 7.472,67 7.472,68 5.122,70 9.523}
{0 CHEMBL349974,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.366,15 2,16 18.8,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.411,23 2,24 1.798,25 11.399,26 16.921,27 1,28 2.753,29 15.062,30 1,31 1,32 1,33 13.228,34 8.333,35 10.784,36 75.542,37 6.34,38 283,39 71,40 4.277,41 4.963,42 7.477,43 4.813,44 4.679,45 9.529,46 3.482,47 1,48 35.209,49 6.559,50 1.99,51 1,52 24.419,53 0.178,54 10.426,55 10.426,56 0.741,57 4.42,58 4.42,59 20.393,60 318,61 1,62 4.804,63 58.773,65 4.062,66 7.371,67 7.371,68 5.679,69 42.683,70 9.155}
{0 CHEMBL350027,13 4,16 18.613,17 1,18 13.142,19 13.142,20 13.142,21 7,22 12.96,24 1.426,25 11.243,26 16.709,28 2.434,29 14.823,33 12.962,34 8.146,35 10.603,36 57.454,37 6.075,38 217,39 53,40 3.989,41 4.673,42 7.206,43 4.41,44 4.211,45 9.295,46 3.179,48 25.15,49 6.855,50 1.435,51 3,52 17.389,53 0.196,54 11.432,55 11.432,56 1.272,57 4.457,58 4.457,59 20.525,60 154,62 4.467,63 45.171,65 3.83,66 7.309,67 7.309,68 5.264,70 7.367}
{0 CHEMBL350563,13 1,14 13.076,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.957,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.291,44 4.128,45 9.353,46 3.151,48 20.393,49 6.784,50 1.277,51 4,52 15.646,53 0.201,54 10.975,55 10.975,56 0.852,57 4.409,58 4.409,59 20.555,60 161,62 4.44,63 45.421,64 1,65 3.794,66 7.472,67 7.472,68 5.124,70 9.398}
{0 CHEMBL350763,13 5,16 18.099,17 1,18 11.586,19 11.586,20 11.586,21 7,22 12.837,24 1.5,25 10.852,26 16.277,28 2.5,29 14.474,33 12.695,34 7.703,35 10.197,36 62.554,37 6.129,38 229,39 56,40 4.043,41 4.727,42 7.229,43 4.563,44 4.37,45 8.883,46 3.329,48 29.249,49 6.221,50 1.5,51 3,52 20.418,53 0.186,54 9.324,55 9.324,56 1.126,57 4.272,58 4.272,59 18.972,60 220,62 4.618,63 49.932,65 3.924,66 6.886,67 6.886,68 5.392,70 7.959}
{0 CHEMBL351625,13 1,14 13.193,16 18.762,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.217,24 1.037,25 11.269,26 16.843,28 2.131,29 14.942,33 13.066,34 8.207,35 10.627,36 60.216,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.225,43 4.346,44 4.165,45 9.353,46 3.149,48 23.441,49 6.784,50 1.277,51 4,52 16.889,53 0.201,54 10.975,55 10.975,56 1.014,57 4.409,58 4.409,59 20.555,60 161,62 4.49,63 46.472,64 2,65 3.808,66 7.472,67 7.472,68 5.248,70 8.658}
{0 CHEMBL352511,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.151,15 1,16 18.368,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.196,23 2,24 1.617,25 11.094,26 16.55,27 1,28 2.606,29 14.747,30 1,31 1,32 1,33 12.965,34 8.003,35 10.422,36 69.81,37 6.263,38 262,39 65,40 4.19,41 4.875,42 7.381,43 4.737,44 4.596,45 9.171,46 3.456,47 1,48 33.164,49 6.549,50 1.757,51 1,52 22.945,53 0.182,54 10.394,55 10.394,56 0.798,57 4.167,58 4.167,59 17.904,60 282,61 1,62 4.738,63 55.313,65 4.002,66 6.728,67 6.728,68 5.613,69 42.683,70 8.886}
{0 CHEMBL352514,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.329,16 18.359,17 2,18 11.114,19 11.114,20 11.114,21 6,22 13.11,23 3,24 1.5,25 11.087,26 16.53,27 1,28 2.5,29 14.716,30 2,31 1,32 1,33 12.924,34 7.951,35 10.41,36 67.255,37 6.244,38 257,39 63,40 4.159,41 4.844,42 7.387,43 4.732,44 4.569,45 9.128,46 3.503,47 1,48 33.182,49 6.549,50 1.698,51 1,52 22.775,53 0.18,54 10.394,55 10.394,56 1.005,57 4.184,58 4.184,59 18.135,60 226,61 1,62 4.745,63 54.16,65 3.995,66 6.776,67 6.776,68 5.571,69 42.683,70 8.796}
{0 CHEMBL352981,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.622,16 18.439,17 2,18 11.2,19 11.2,20 11.2,21 6,22 13.133,23 4,24 1.5,25 11.142,26 16.596,27 2,28 2.5,29 14.771,30 2,31 1,32 1,33 12.968,34 8.003,35 10.443,36 72.113,37 6.293,38 270,39 66,40 4.205,41 4.89,42 7.398,43 4.862,44 4.698,45 9.154,46 3.518,47 1,48 37.807,49 6.774,50 1.703,51 1,52 25.644,53 0.174,54 11.107,55 11.107,56 0.993,57 4.18,58 4.18,59 18.229,60 255,61 1,62 4.893,63 59.444,65 4.076,66 6.796,67 6.796,68 5.708,69 42.683,70 9.222}
{0 CHEMBL353330,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.588,15 1,16 18.38,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.161,23 4,24 1.682,25 11.115,26 16.556,27 2,28 2.644,29 14.747,30 1,31 1,32 1,33 12.961,34 7.989,35 10.432,36 72.375,37 6.301,38 272,39 67,40 4.22,41 4.905,42 7.413,43 4.824,44 4.672,45 9.155,46 3.513,47 1,48 36.491,49 6.549,50 1.808,51 1,52 25.343,53 0.175,54 10.394,55 10.394,56 0.808,57 4.182,58 4.182,59 18.151,60 263,61 1,62 4.842,63 57.62,65 4.057,66 6.774,67 6.774,68 5.684,69 42.683,70 8.796}
{0 CHEMBL353331,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.594,16 18.356,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.106,23 4,24 1.5,25 11.085,26 16.528,27 2,28 2.5,29 14.716,30 2,31 1,32 1,33 12.926,34 7.951,35 10.399,36 70.655,37 6.275,38 265,39 65,40 4.19,41 4.875,42 7.382,43 4.826,44 4.657,45 9.115,46 3.512,47 1,48 36.965,49 6.549,50 1.711,51 1,52 25.26,53 0.176,54 10.394,55 10.394,56 0.973,57 4.179,58 4.179,59 18.137,60 250,61 1,62 4.843,63 57.683,65 4.05,66 6.774,67 6.774,68 5.676,69 42.683,70 8.699}
{0 CHEMBL353827,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.557,16 18.312,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.029,23 4,24 1.5,25 11.031,26 16.48,27 2,28 2.5,29 14.665,30 2,31 1,32 1,33 12.872,34 7.892,35 10.339,36 67.799,37 6.229,38 253,39 62,40 4.143,41 4.828,42 7.334,43 4.725,44 4.559,45 9.051,46 3.493,47 1,48 33.279,49 6.517,50 1.576,51 1,52 22.858,53 0.179,54 10.25,55 10.25,56 0.929,57 4.179,58 4.179,59 18.137,60 229,61 1,62 4.748,63 54.16,65 3.999,66 6.774,67 6.774,68 5.57,69 59.346,70 8.319}
{0 CHEMBL354413,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 38.759,15 1,16 19.08,17 2,18 13.61,19 13.61,20 13.61,21 7,22 13.744,23 4,24 2.09,25 11.606,26 17.165,27 2,28 2.989,29 15.274,30 1,31 1,32 1,33 13.411,34 8.502,35 10.969,36 89.642,37 6.512,38 336,39 83,40 4.431,41 5.118,42 7.643,43 4.946,44 4.801,45 9.683,46 3.626,47 1,48 40.364,49 6.774,50 2.232,51 1,52 28.843,53 0.16,54 11.112,55 11.112,56 0.959,57 4.373,58 4.373,59 21.567,60 372,61 1,62 4.974,63 67.7,64 1,65 4.233,66 7.666,67 7.666,68 5.781,69 42.683,70 9.097}
{0 CHEMBL355749,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.656,16 19.095,17 2,18 14.073,19 14.073,20 14.073,21 6,22 13.405,23 4,24 1.5,25 11.587,26 17.155,27 2,28 2.5,29 15.237,30 2,31 1,32 1,33 13.346,34 8.451,35 10.925,36 74.78,37 6.351,38 286,39 70,40 4.263,41 4.949,42 7.48,43 4.906,44 4.716,45 9.628,46 3.52,47 1,48 42.302,49 6.774,50 1.703,51 1,52 28.459,53 0.174,54 11.107,55 11.107,56 0.93,57 4.575,58 4.575,59 22.521,60 223,61 1,62 4.998,63 61.205,65 4.102,66 7.749,67 7.749,68 5.83,69 42.683,70 8.161}
{0 CHEMBL355809,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.378,15 1,16 18.747,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.35,23 2,24 1.667,25 11.349,26 16.867,27 1,28 2.637,29 15.008,30 1,31 1,32 1,33 13.174,34 8.284,35 10.738,36 74.594,37 6.326,38 279,39 70,40 4.263,41 4.949,42 7.456,43 4.835,44 4.69,45 9.475,46 3.484,47 1,48 36.448,49 6.559,50 1.798,51 1,52 25.047,53 0.177,54 10.426,55 10.426,56 0.854,57 4.42,58 4.42,59 20.393,60 353,61 1,62 4.839,63 60.597,65 4.082,66 7.371,67 7.371,68 5.703,69 42.683,70 9.097}
{0 CHEMBL357557,13 2,14 13.185,16 18.933,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.335,24 1.274,25 11.449,26 17.022,28 2.386,29 15.127,33 13.253,34 8.445,35 10.863,36 61.916,37 6.159,38 236,39 60,40 4.111,41 4.796,42 7.335,43 4.259,44 4.141,45 9.615,46 3.124,48 20.992,49 6.784,50 1.5,51 4,52 14.273,53 0.199,54 10.975,55 10.975,56 0.525,57 4.416,58 4.416,59 20.688,60 191,62 4.38,63 45.694,64 2,65 3.816,66 7.475,67 7.475,68 5.228,70 7.959}
{0 CHEMBL359687,13 4,14 39.257,16 18.92,17 1,18 13.441,19 13.441,20 13.441,21 5,22 13.47,24 1.5,25 11.374,26 16.985,28 2.5,29 15.071,33 13.185,34 8.275,35 10.762,36 67.936,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.352,43 4.63,44 4.461,45 9.47,46 3.476,48 28.882,49 6.921,50 1.617,51 4,52 21.582,53 0.184,54 11.559,55 11.559,56 1.468,57 4.421,58 4.421,59 21.324,60 213,62 4.645,63 52.188,64 6,65 3.956,66 7.641,67 7.641,68 5.424,70 6.456}
{0 CHEMBL359752,13 3,14 38.994,16 18.803,17 1,18 13.441,19 13.441,20 13.441,21 5,22 13.423,24 1.5,25 11.257,26 16.873,28 2.5,29 14.966,33 13.089,34 8.179,35 10.663,36 66.176,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.311,43 4.604,44 4.436,45 9.371,46 3.435,48 28.067,49 6.542,50 1.5,51 4,52 21.068,53 0.186,54 10.331,55 10.331,56 1.409,57 4.421,58 4.421,59 21.324,60 215,62 4.592,63 50.427,64 6,65 3.927,66 7.641,67 7.641,68 5.399,70 7.496}
{0 CHEMBL359986,11 1,13 5,14 35.8,16 17.997,18 11.529,19 11.529,20 11.529,21 3,22 12.815,24 0.481,25 10.676,26 16.165,28 1.653,29 14.351,33 12.559,34 7.639,35 10.097,36 48.912,37 5.844,38 172,39 43,40 3.784,41 4.466,42 6.965,43 3.692,44 3.636,45 8.856,46 3,48 10.43,49 6.155,50 0.822,52 8.013,53 0.224,54 8.829,55 8.829,56 1.295,57 4.29,58 4.29,59 19.031,60 150,61 1,62 3.695,63 34.318,64 2,65 3.567,66 6.904,67 6.904,68 4.578,69 42.683,70 5.06}
{0 CHEMBL360044,13 2,14 34.48,16 17.9,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.949,24 1.5,25 10.62,26 16.107,28 2.5,29 14.328,33 12.568,34 7.554,35 9.968,36 58.137,37 6.019,38 205,39 51,40 3.951,41 4.635,42 7.128,43 4.364,44 4.181,45 8.701,46 3.295,48 24.129,49 6.342,50 1.5,51 4,52 16.671,53 0.198,54 9.443,55 9.443,56 0.938,57 4.01,58 4.01,59 16.911,60 184,62 4.429,63 44.802,64 2,65 3.802,66 6.499,67 6.499,68 5.222,70 6.824}
{0 CHEMBL360106,13 2,14 34.804,16 17.947,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.962,24 1.5,25 10.672,26 16.147,28 2.5,29 14.362,33 12.597,34 7.603,35 10,36 59.12,37 6.043,38 210,39 52,40 3.97,41 4.654,42 7.149,43 4.443,44 4.255,45 8.728,46 3.295,48 26.103,49 6.449,50 1.5,51 4,52 18.036,53 0.195,54 9.921,55 9.921,56 0.933,57 4.01,58 4.01,59 16.911,60 188,62 4.51,63 46.563,64 2,65 3.836,66 6.499,67 6.499,68 5.295,70 6.959}
{0 CHEMBL360120,13 2,14 12.854,16 17.898,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.878,24 1.25,25 10.619,26 16.105,28 2.288,29 14.325,33 12.564,34 7.542,35 9.97,36 56.3,37 5.999,38 201,39 50,40 3.932,41 4.615,42 7.112,43 4.405,44 4.197,45 8.705,46 3.265,48 24.713,49 6.343,50 1.5,51 4,52 17.883,53 0.201,54 9.449,55 9.449,56 0.938,57 4.01,58 4.01,59 16.917,60 166,62 4.438,63 45.364,64 1,65 3.804,66 6.499,67 6.499,68 5.197,70 6.108}
{0 CHEMBL360522,13 3,14 39.043,16 18.909,17 1,18 13.441,19 13.441,20 13.441,21 5,22 13.449,24 1.5,25 11.363,26 16.977,28 2.5,29 15.064,33 13.177,34 8.35,35 10.816,36 62.623,37 6.125,38 228,39 58,40 4.078,41 4.762,42 7.279,43 4.638,44 4.443,45 9.551,46 3.41,48 31.734,49 6.714,50 1.5,51 3,52 22.756,53 0.197,54 10.895,55 10.895,56 1.345,57 4.421,58 4.421,59 21.324,60 177,62 4.692,63 49.949,64 6,65 3.888,66 7.641,67 7.641,68 5.529,70 7.796}
{0 CHEMBL360524,13 2,14 12.794,16 18.4,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.056,24 1.5,25 10.951,26 16.531,28 2.5,29 14.68,33 12.852,34 7.951,35 10.399,36 58.477,37 6.061,38 214,39 54,40 4.007,41 4.691,42 7.195,43 4.374,44 4.2,45 9.137,46 3.286,48 24.311,49 6.499,50 1.5,51 4,52 16.955,53 0.197,54 10.177,55 10.177,56 0.842,57 4.172,58 4.172,59 18.545,60 174,62 4.435,63 45.222,64 1,65 3.826,66 7.111,67 7.111,68 5.243,70 6.432}
{0 CHEMBL360667,13 2,14 39.369,16 19.233,17 1,18 13.634,19 13.634,20 13.634,21 5,22 13.596,24 1.5,25 11.637,26 17.271,28 2.5,29 15.325,33 13.4,34 8.623,35 11.086,36 64.761,37 6.172,38 239,39 61,40 4.127,41 4.812,42 7.344,43 4.726,44 4.525,45 9.813,46 3.433,48 35.069,49 7.454,50 1.5,51 3,52 24.996,53 0.196,54 13.046,55 13.046,56 1.299,57 4.506,58 4.506,59 21.681,60 188,62 4.783,63 51.711,64 6,65 3.918,66 7.664,67 7.664,68 5.624,70 7.959}
{0 CHEMBL361414,13 2,14 35.017,16 18.006,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.982,24 1.5,25 10.696,26 16.195,28 2.5,29 14.398,33 12.62,34 7.606,35 10.029,36 57.239,37 6.004,38 202,39 50,40 3.932,41 4.615,42 7.117,43 4.302,44 4.13,45 8.762,46 3.233,48 22.517,49 6.499,50 1.5,51 4,52 15.776,53 0.201,54 10.083,55 10.083,56 1.063,57 4.04,58 4.04,59 17.344,60 146,62 4.397,63 43.04,64 2,65 3.767,66 6.537,67 6.537,68 5.217,70 5.292}
{0 CHEMBL361444,13 3,14 12.722,16 17.738,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.577,24 1,25 10.475,26 15.941,28 2,29 14.161,33 12.403,34 7.376,35 9.814,36 52.081,37 5.922,38 186,39 46,40 3.85,41 4.533,42 7.022,43 4.419,44 4.189,45 8.517,46 3.216,48 26.686,49 6.342,50 1.242,51 4,52 18.128,53 0.204,54 9.442,55 9.442,56 1.334,57 4.009,58 4.009,59 16.911,60 152,62 4.463,63 45.177,64 1,65 3.784,66 6.499,67 6.499,68 5.328,69 18.011,70 5.745}
{0 CHEMBL361585,13 2,14 39.646,16 19.164,17 1,18 13.634,19 13.634,20 13.634,21 6,22 13.568,24 1.5,25 11.566,26 17.199,28 2.5,29 15.253,33 13.332,34 8.499,35 10.97,36 67.926,37 6.229,38 253,39 63,40 4.159,41 4.844,42 7.382,43 4.756,44 4.567,45 9.673,46 3.445,48 34.76,49 7.454,50 1.713,51 3,52 25.413,53 0.185,54 13.046,55 13.046,56 1.444,57 4.506,58 4.506,59 21.681,60 214,62 4.804,63 53.495,64 4,65 3.977,66 7.664,67 7.664,68 5.589,70 8}
{0 CHEMBL362168,13 3,14 13.065,16 17.984,17 1,18 10.252,19 10.252,20 10.252,21 4,22 12.792,24 1.265,25 10.659,26 16.164,28 2.298,29 14.358,33 12.572,34 7.545,35 9.987,36 54.117,37 5.969,38 195,39 48,40 3.892,41 4.575,42 7.076,43 4.384,44 4.167,45 8.705,46 3.3,48 25.607,49 6.499,50 1.5,51 4,52 17.699,53 0.202,54 10.177,55 10.177,56 1.539,57 4.068,58 4.068,59 17.61,60 150,62 4.475,63 45.41,64 1,65 3.801,66 6.608,67 6.608,68 5.259,70 5.167}
{0 CHEMBL362388,12 1,13 2,14 12.534,16 17.855,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.728,24 1,25 10.548,26 16.04,28 2.118,29 14.239,33 12.459,34 7.438,35 9.877,36 49.607,37 5.883,38 179,39 44,40 3.807,41 4.489,42 6.98,43 4.153,44 3.946,45 8.6,46 3.139,48 20.172,49 6.499,50 1.171,51 4,52 13.93,53 0.21,54 10.028,55 10.028,56 0.997,57 4.021,58 4.021,59 17.309,60 116,62 4.273,63 39.58,64 1,65 3.679,66 6.527,67 6.527,68 5.026,70 5.102}
{0 CHEMBL362637,13 2,14 26.361,16 19.045,17 1,18 13.634,19 13.634,20 13.634,21 5,22 13.392,24 1.122,25 11.404,26 17.065,28 2.125,29 15.101,33 13.162,34 8.353,35 10.832,36 52.077,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.127,43 4.493,44 4.313,45 9.538,46 3.23,48 25.597,49 7.454,50 1.371,51 3,52 18.852,53 0.211,54 13.046,55 13.046,56 1.417,57 4.506,58 4.506,59 21.681,60 123,62 4.494,63 42.756,64 3,65 3.743,66 7.664,67 7.664,68 5.281,69 18.011,70 5.699}
{0 CHEMBL363564,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.273,16 18.203,17 2,18 10.689,19 10.689,20 10.689,21 7,22 13.064,23 4,24 1.443,25 10.949,26 16.392,27 2,28 2.456,29 14.594,30 2,31 1,32 1,33 12.815,34 7.828,35 10.298,36 62.027,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.309,43 4.517,44 4.354,45 9.021,46 3.318,47 1,48 27.661,49 6.372,50 1.5,51 1,52 18.879,53 0.188,54 9.883,55 9.883,56 0.922,57 4.141,58 4.141,59 17.625,60 172,61 1,62 4.587,63 47.12,64 3,65 3.87,66 6.632,67 6.632,68 5.399,69 42.683,70 6.699}
{0 CHEMBL363840,13 3,14 12.954,15 1,16 17.829,17 1,18 10.009,19 10.009,20 10.009,21 5,22 12.948,24 1.42,25 10.653,26 16.062,28 2.431,29 14.31,33 12.578,34 7.573,35 10.007,36 61.981,37 6.107,38 224,39 56,40 4.043,41 4.727,42 7.216,43 4.41,44 4.259,45 8.737,46 3.198,47 1,48 24.633,49 6.19,50 1.5,51 1,52 16.793,53 0.189,54 9.271,55 9.271,56 0.838,57 3.988,58 3.988,59 16.722,60 213,62 4.473,63 46.853,64 3,65 3.851,66 6.465,67 6.465,68 5.34,69 36.022,70 6}
{0 CHEMBL363999,9 1,11 1,13 5,14 35.651,16 17.978,18 11.529,19 11.529,20 11.529,21 3,22 12.798,24 -0.211,25 10.654,26 16.144,28 1.166,29 14.329,33 12.536,34 7.612,35 10.08,36 47.635,37 5.814,38 167,39 42,40 3.761,41 4.443,42 6.94,43 3.629,44 3.584,45 8.84,46 2.996,48 9.586,49 6.155,50 0.8,52 7.494,53 0.228,54 8.829,55 8.829,56 1.295,57 4.29,58 4.29,59 19.031,60 132,61 1,62 3.644,63 32.557,64 2,65 3.529,66 6.904,67 6.904,68 4.519,69 85.367,70 5}
{0 CHEMBL364070,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.508,16 18.39,17 2,18 11.107,19 11.107,20 11.107,21 7,22 13.108,23 4,24 1.477,25 11.084,26 16.545,27 2,28 2.485,29 14.716,30 2,31 1,33 12.907,34 7.938,35 10.389,36 64.115,37 6.184,38 242,39 59,40 4.094,41 4.779,42 7.298,43 4.582,44 4.422,45 9.102,46 3.283,47 1,48 29.018,49 6.706,50 1.5,51 5,52 19.806,53 0.185,54 10.887,55 10.887,56 0.904,57 4.179,58 4.179,59 18.235,60 184,61 1,62 4.632,63 49.637,64 1,65 3.917,66 6.774,67 6.774,68 5.456,69 42.683,70 8.602}
{0 CHEMBL366260,11 1,13 5,14 35.8,16 17.997,18 11.529,19 11.529,20 11.529,21 3,22 12.815,24 0.481,25 10.676,26 16.165,28 1.653,29 14.351,33 12.559,34 7.639,35 10.097,36 48.912,37 5.844,38 172,39 43,40 3.784,41 4.466,42 6.965,43 3.692,44 3.636,45 8.856,46 3,48 10.43,49 6.155,50 0.822,52 8.013,53 0.224,54 8.829,55 8.829,56 1.295,57 4.29,58 4.29,59 19.031,60 150,61 1,62 3.695,63 34.318,64 2,65 3.567,66 6.904,67 6.904,68 4.578,69 42.683,70 5.056}
{0 CHEMBL366328,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.343,15 1,16 18.566,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.343,23 3,24 1.778,25 11.277,26 16.739,27 1,28 2.723,29 14.926,30 1,31 1,32 1,33 13.132,34 8.255,35 10.671,36 76.124,37 6.347,38 285,39 72,40 4.29,41 4.977,42 7.482,43 4.837,44 4.693,45 9.435,46 3.522,47 1,48 36.14,49 6.549,50 2.06,51 1,52 24.98,53 0.176,54 10.394,55 10.394,56 0.766,57 4.173,58 4.173,59 17.99,60 300,61 1,62 4.854,63 62.359,65 4.107,66 6.747,67 6.747,68 5.684,69 42.683,70 8.796}
{0 CHEMBL366400,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.146,15 1,16 18.372,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.245,23 2,24 1.757,25 11.1,26 16.553,27 1,28 2.693,29 14.749,30 1,31 1,32 1,33 12.966,34 8.003,35 10.426,36 72.398,37 6.263,38 262,39 65,40 4.19,41 4.875,42 7.381,43 4.726,44 4.587,45 9.174,46 3.457,47 1,48 32.346,49 6.549,50 1.784,51 1,52 22.581,53 0.182,54 10.394,55 10.394,56 0.829,57 4.167,58 4.167,59 17.904,60 250,61 1,62 4.731,63 54.342,65 3.993,66 6.728,67 6.728,68 5.584,69 42.683,70 8.77}
{0 CHEMBL366439,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.593,16 18.519,17 2,18 11.107,19 11.107,20 11.107,21 8,22 13.304,23 4,24 1.735,25 11.223,26 16.68,27 2,28 2.714,29 14.856,30 2,31 1,32 1,33 13.053,34 8.082,35 10.522,36 74.805,37 6.34,38 283,39 69,40 4.248,41 4.934,42 7.456,43 4.775,44 4.62,45 9.238,46 3.508,47 1,48 33.984,49 6.699,50 1.894,51 1,52 23.726,53 0.171,54 10.872,55 10.872,56 0.929,57 4.179,58 4.179,59 18.307,60 230,61 1,62 4.767,63 57.16,65 4.069,66 6.774,67 6.774,68 5.579,69 59.346,70 8.125}
{0 CHEMBL366450,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.582,16 18.416,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.132,23 4,24 1.5,25 11.125,26 16.581,27 2,28 2.5,29 14.761,30 2,31 1,32 1,33 12.961,34 7.989,35 10.434,36 69.62,37 6.263,38 262,39 64,40 4.174,41 4.86,42 7.373,43 4.797,44 4.619,45 9.151,46 3.49,47 1,48 36.897,49 6.586,50 1.594,51 1,52 25.207,53 0.178,54 10.53,55 10.53,56 0.987,57 4.179,58 4.179,59 18.137,60 226,61 1,62 4.834,63 55.921,65 4.023,66 6.774,67 6.774,68 5.673,69 42.683,70 7.658}
{0 CHEMBL366492,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.167,15 1,16 18.465,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.324,23 2,24 1.757,25 11.182,26 16.643,27 1,28 2.693,29 14.836,30 1,31 1,32 1,33 13.048,34 8.089,35 10.503,36 75.524,37 6.312,38 275,39 68,40 4.234,41 4.92,42 7.431,43 4.759,44 4.626,45 9.257,46 3.458,47 1,48 33.448,49 6.549,50 1.974,51 1,52 23.243,53 0.178,54 10.395,55 10.395,56 0.794,57 4.167,58 4.167,59 17.904,60 268,61 1,62 4.758,63 56.557,65 4.028,66 6.728,67 6.728,68 5.627,69 42.683,70 9.097}
{0 CHEMBL366494,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.596,15 1,16 18.782,17 2,18 11.657,19 11.657,20 11.657,21 6,22 13.405,23 4,24 1.808,25 11.394,26 16.916,27 2,28 2.771,29 15.068,30 1,31 1,32 1,33 13.242,34 8.34,35 10.788,36 78.846,37 6.399,38 300,39 75,40 4.331,41 5.017,42 7.533,43 4.846,44 4.717,45 9.53,46 3.518,47 1,48 36.741,49 6.774,50 1.986,51 1,52 25.645,53 0.17,54 11.112,55 11.112,56 0.742,57 4.182,58 4.182,59 18.696,60 299,61 1,62 4.863,63 59.194,65 4.102,66 7.111,67 7.111,68 5.717,69 42.683,70 8.824}
{0 CHEMBL366536,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.635,16 18.359,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.111,23 4,24 1.5,25 11.092,26 16.531,27 2,28 2.5,29 14.72,30 2,31 1,32 1,33 12.932,34 7.951,35 10.406,36 73.224,37 6.304,38 273,39 67,40 4.22,41 4.905,42 7.407,43 4.948,44 4.77,45 9.116,46 3.528,47 1,48 42.276,49 6.552,50 1.717,51 1,52 28.871,53 0.172,54 10.415,55 10.415,56 1,57 4.179,58 4.179,59 18.137,60 252,61 1,62 4.943,63 61.205,65 4.102,66 6.774,67 6.774,68 5.802,69 42.683,70 8.523}
{0 CHEMBL366600,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.596,15 1,16 18.401,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.213,23 4,24 1.682,25 11.139,26 16.58,27 2,28 2.644,29 14.776,30 1,31 1,32 1,33 12.994,34 8.025,35 10.46,36 74.544,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.442,43 4.838,44 4.688,45 9.192,46 3.514,47 1,48 36.746,49 6.549,50 1.808,51 1,52 25.867,53 0.174,54 10.394,55 10.394,56 0.785,57 4.182,58 4.182,59 18.151,60 292,61 1,62 4.852,63 58.478,65 4.071,66 6.774,67 6.774,68 5.688,69 42.683,70 9.046}
{0 CHEMBL366610,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.297,15 1,16 18.763,17 2,18 11.657,19 11.657,20 11.657,21 5,22 13.388,23 3,24 1.778,25 11.364,26 16.897,27 1,28 2.723,29 15.048,30 1,31 1,32 1,33 13.22,34 8.323,35 10.763,36 74.114,37 6.34,38 283,39 71,40 4.277,41 4.963,42 7.477,43 4.774,44 4.649,45 9.516,46 3.479,47 1,48 33.858,49 6.747,50 1.985,51 1,52 23.645,53 0.178,54 10.988,55 10.988,56 0.759,57 4.173,58 4.173,59 18.66,60 273,61 1,62 4.788,63 56.433,65 4.042,66 7.111,67 7.111,68 5.647,69 42.683,70 9.301}
{0 CHEMBL366611,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.347,15 1,16 18.551,17 2,18 10.988,19 10.988,20 10.988,21 7,22 13.388,23 3,24 1.899,25 11.259,26 16.719,27 1,28 2.767,29 14.903,30 1,31 1,32 1,33 13.105,34 8.141,35 10.571,36 75.705,37 6.361,38 289,39 71,40 4.277,41 4.963,42 7.482,43 4.839,44 4.7,45 9.309,46 3.485,47 1,48 35.641,49 6.559,50 2.061,51 1,52 24.961,53 0.173,54 10.431,55 10.431,56 0.831,57 4.173,58 4.173,59 17.99,60 244,61 1,62 4.84,63 59.62,65 4.091,66 6.747,67 6.747,68 5.667,69 42.683,70 9.398}
{0 CHEMBL366626,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,13 5,14 12.615,16 18.354,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.107,23 4,24 1.5,25 11.081,26 16.526,27 2,28 2.5,29 14.715,30 2,31 1,32 1,33 12.927,34 7.951,35 10.397,36 72.047,37 6.29,38 269,39 66,40 4.205,41 4.89,42 7.394,43 4.883,44 4.714,45 9.112,46 3.53,47 1,48 39.294,49 6.551,50 1.711,51 1,52 26.609,53 0.174,54 10.406,55 10.406,56 1,57 4.179,58 4.179,59 18.137,60 253,61 1,62 4.909,63 59.444,65 4.076,66 6.774,67 6.774,68 5.746,69 42.683,70 8.638}
{0 CHEMBL366742,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.338,15 1,16 18.763,17 2,18 11.657,19 11.657,20 11.657,21 5,22 13.388,23 3,24 1.778,25 11.364,26 16.897,27 1,28 2.723,29 15.048,30 1,31 1,32 1,33 13.22,34 8.323,35 10.763,36 74.78,37 6.34,38 283,39 71,40 4.277,41 4.963,42 7.477,43 4.85,44 4.7,45 9.516,46 3.5,47 1,48 37.397,49 6.747,50 1.985,51 1,52 25.6,53 0.178,54 10.988,55 10.988,56 0.782,57 4.314,58 4.314,59 18.66,60 273,61 1,62 4.845,63 61.904,65 4.1,66 7.111,67 7.111,68 5.72,69 42.683,70 9.097}
{0 CHEMBL366770,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.347,15 1,16 18.551,17 2,18 10.988,19 10.988,20 10.988,21 7,22 13.388,23 3,24 1.899,25 11.259,26 16.719,27 1,28 2.767,29 14.903,30 1,31 1,32 1,33 13.105,34 8.141,35 10.571,36 75.705,37 6.361,38 289,39 71,40 4.277,41 4.963,42 7.482,43 4.839,44 4.7,45 9.309,46 3.485,47 1,48 35.641,49 6.559,50 2.061,51 1,52 24.961,53 0.173,54 10.431,55 10.431,56 0.831,57 4.173,58 4.173,59 17.99,60 244,61 1,62 4.84,63 59.62,65 4.091,66 6.747,67 6.747,68 5.667,69 42.683,70 9.699}
{0 CHEMBL366868,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.327,15 1,16 18.443,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.24,23 3,24 1.649,25 11.157,26 16.623,27 1,28 2.628,29 14.818,30 1,31 1,32 1,33 13.033,34 8.067,35 10.485,36 72.587,37 6.308,38 274,39 68,40 4.234,41 4.92,42 7.427,43 4.826,44 4.677,45 9.239,46 3.485,47 1,48 36.359,49 6.549,50 1.778,51 1,52 24.95,53 0.178,54 10.394,55 10.394,56 0.817,57 4.173,58 4.173,59 17.99,60 284,61 1,62 4.827,63 60.143,65 4.075,66 6.747,67 6.747,68 5.692,69 42.683,70 9.523}
{0 CHEMBL366871,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.333,15 1,16 18.481,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.287,23 3,24 1.778,25 11.199,26 16.659,27 1,28 2.723,29 14.851,30 1,31 1,32 1,33 13.063,34 8.104,35 10.517,36 73.962,37 6.33,38 280,39 69,40 4.248,41 4.934,42 7.446,43 4.815,44 4.68,45 9.269,46 3.478,47 1,48 35.475,49 6.549,50 2.057,51 1,52 24.321,53 0.176,54 10.395,55 10.395,56 0.802,57 4.173,58 4.173,59 17.99,60 281,61 1,62 4.835,63 59.29,65 4.063,66 6.747,67 6.747,68 5.688,69 42.683,70 8.585}
{0 CHEMBL366873,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.38,15 1,16 18.781,17 2,18 12.75,19 12.75,20 12.75,21 6,22 13.396,23 2,24 1.798,25 11.393,26 16.906,27 1,28 2.753,29 15.052,30 1,31 1,32 1,33 13.224,34 8.35,35 10.793,36 77.031,37 6.368,38 291,39 73,40 4.304,41 4.99,42 7.505,43 4.826,44 4.685,45 9.541,46 3.589,47 1,48 35.652,49 6.559,50 2.097,51 1,52 24.7,53 0.174,54 10.426,55 10.426,56 0.778,57 4.42,58 4.42,59 20.393,60 311,61 1,62 4.815,63 59.836,65 4.09,66 7.371,67 7.371,68 5.679,69 42.683,70 9.398}
{0 CHEMBL367102,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.325,15 1,16 18.391,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.208,23 3,24 1.757,25 11.124,26 16.572,27 1,28 2.678,29 14.768,30 1,31 1,32 1,33 12.985,34 8.019,35 10.445,36 72.053,37 6.297,38 271,39 67,40 4.22,41 4.905,42 7.409,43 4.813,44 4.669,45 9.189,46 3.477,47 1,48 35.773,49 6.549,50 1.778,51 1,52 24.527,53 0.178,54 10.394,55 10.394,56 0.801,57 4.173,58 4.173,59 17.99,60 292,61 1,62 4.833,63 58.836,65 4.056,66 6.747,67 6.747,68 5.686,69 42.683,70 9.046}
{0 CHEMBL367169,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.35,15 1,16 18.745,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.387,23 2,24 1.667,25 11.344,26 16.864,27 1,28 2.753,29 15.004,30 1,31 1,32 1,33 13.17,34 8.284,35 10.733,36 74.666,37 6.297,38 271,39 68,40 4.234,41 4.92,42 7.433,43 4.783,44 4.644,45 9.474,46 3.483,47 1,48 34.068,49 6.559,50 1.798,51 1,52 23.687,53 0.181,54 10.426,55 10.426,56 0.79,57 4.42,58 4.42,59 20.393,60 295,61 1,62 4.775,63 56.103,65 4.021,66 7.371,67 7.371,68 5.634,69 42.683,70 8.886}
{0 CHEMBL367246,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.303,15 1,16 18.386,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.252,23 3,24 1.649,25 11.114,26 16.567,27 1,28 2.723,29 14.763,30 1,31 1,32 1,33 12.98,34 8.019,35 10.437,36 73.273,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.397,43 4.769,44 4.629,45 9.185,46 3.479,47 1,48 33.873,49 6.549,50 1.778,51 1,52 23.608,53 0.18,54 10.394,55 10.394,56 0.828,57 4.173,58 4.173,59 17.99,60 295,61 1,62 4.783,63 56.103,65 4.021,66 6.747,67 6.747,68 5.622,69 42.683,70 8.886}
{0 CHEMBL367383,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.162,15 1,16 18.37,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.199,23 2,24 1.617,25 11.099,26 16.552,27 1,28 2.606,29 14.75,30 1,31 1,32 1,33 12.968,34 8.003,35 10.426,36 71.13,37 6.279,38 266,39 66,40 4.205,41 4.89,42 7.393,43 4.757,44 4.615,45 9.173,46 3.457,47 1,48 33.624,49 6.549,50 1.757,51 1,52 23.27,53 0.18,54 10.394,55 10.394,56 0.812,57 4.167,58 4.167,59 17.904,60 310,61 1,62 4.761,63 57.075,65 4.029,66 6.728,67 6.728,68 5.624,69 42.683,70 9}
{0 CHEMBL367416,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.356,15 1,16 18.483,17 2,18 10.988,19 10.988,20 10.988,21 6,22 13.332,23 3,24 1.778,25 11.209,26 16.663,27 1,28 2.723,29 14.858,30 1,31 1,32 1,33 13.073,34 8.104,35 10.53,36 78.346,37 6.385,38 296,39 73,40 4.304,41 4.99,42 7.501,43 4.847,44 4.704,45 9.269,46 3.577,47 1,48 36.614,49 6.549,50 2.06,51 1,52 25.657,53 0.169,54 10.394,55 10.394,56 0.841,57 4.173,58 4.173,59 17.99,60 329,61 1,62 4.858,63 62.381,65 4.132,66 6.747,67 6.747,68 5.687,69 42.683,70 9.301}
{0 CHEMBL367421,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.615,16 18.359,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.109,23 4,24 1.5,25 11.091,26 16.53,27 2,28 2.5,29 14.719,30 2,31 1,32 1,33 12.93,34 7.951,35 10.404,36 72.09,37 6.29,38 269,39 66,40 4.205,41 4.89,42 7.394,43 4.893,44 4.716,45 9.116,46 3.519,47 1,48 40.218,49 6.552,50 1.714,51 1,52 27.425,53 0.174,54 10.415,55 10.415,56 1.007,57 4.179,58 4.179,59 18.137,60 251,61 1,62 4.901,63 59.444,65 4.076,66 6.774,67 6.774,68 5.757,69 42.683,70 8.337}
{0 CHEMBL367446,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.544,16 18.332,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.153,23 4,24 1.5,25 11.057,26 16.51,27 2,28 2.5,29 14.704,30 2,31 1,32 1,33 12.918,34 7.945,35 10.374,36 72.104,37 6.26,38 261,39 64,40 4.174,41 4.86,42 7.37,43 4.71,44 4.554,45 9.099,46 3.477,47 1,48 32.362,49 6.482,50 1.5,51 1,52 22.357,53 0.178,54 10.094,55 10.094,56 0.923,57 4.179,58 4.179,59 18.136,60 280,61 1,62 4.714,63 53.643,65 3.998,66 6.774,67 6.774,68 5.548,69 59.346,70 8.125}
{0 CHEMBL367461,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 36.008,15 1,16 19.022,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.684,23 2,24 1.798,25 11.547,26 17.12,27 1,28 2.753,29 15.235,30 1,31 1,32 1,33 13.372,34 8.525,35 10.985,36 77.981,37 6.354,38 287,39 73,40 4.304,41 4.99,42 7.51,43 4.827,44 4.686,45 9.733,46 3.539,47 1,48 35.559,49 7.111,50 2.086,51 1,52 25.016,53 0.179,54 11.657,55 11.657,56 0.765,57 4.42,58 4.42,59 20.393,60 273,61 1,62 4.812,63 59.177,64 1,65 4.075,66 7.371,67 7.371,68 5.682,69 42.683,70 8.796}
{0 CHEMBL367489,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.586,15 2,16 18.401,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.213,23 4,24 1.682,25 11.139,26 16.58,27 2,28 2.644,29 14.776,30 1,31 1,32 1,33 12.994,34 8.025,35 10.46,36 74.514,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.442,43 4.823,44 4.68,45 9.192,46 3.514,47 1,48 36.291,49 6.549,50 1.808,51 1,52 25.359,53 0.174,54 10.394,55 10.394,56 0.739,57 4.182,58 4.182,59 18.151,60 292,61 1,62 4.841,63 57.558,65 4.063,66 6.774,67 6.774,68 5.69,69 42.683,70 8.959}
{0 CHEMBL367529,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.128,15 2,16 18.41,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.207,23 2,24 1.757,25 11.117,26 16.585,27 1,28 2.693,29 14.775,30 1,31 1,32 1,33 12.985,34 8.015,35 10.444,36 68.813,37 6.248,38 258,39 64,40 4.174,41 4.86,42 7.368,43 4.701,44 4.571,45 9.195,46 3.456,47 1,48 31.477,49 6.55,50 1.916,51 1,52 22.393,53 0.184,54 10.398,55 10.398,56 0.887,57 4.167,58 4.167,59 17.904,60 219,61 1,62 4.71,63 53.035,65 3.972,66 6.728,67 6.728,68 5.582,69 42.683,70 8.658}
{0 CHEMBL367560,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.307,15 1,16 18.401,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.225,23 3,24 1.778,25 11.136,26 16.584,27 1,28 2.723,29 14.784,30 1,31 1,32 1,33 13.005,34 8.042,35 10.461,36 73.98,37 6.319,38 277,39 69,40 4.248,41 4.934,42 7.435,43 4.781,44 4.651,45 9.211,46 3.477,47 1,48 34.191,49 6.549,50 1.996,51 1,52 24.039,53 0.176,54 10.394,55 10.394,56 0.628,57 4.173,58 4.173,59 17.99,60 312,61 1,62 4.79,63 56.95,65 4.043,66 6.747,67 6.747,68 5.664,69 42.683,70 9.222}
{0 CHEMBL367586,13 2,14 12.734,16 17.738,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.691,24 1.248,25 10.475,26 15.941,28 2.287,29 14.161,33 12.403,34 7.376,35 9.814,36 52.167,37 5.922,38 186,39 46,40 3.85,41 4.533,42 7.022,43 4.345,44 4.133,45 8.517,46 3.255,48 24.097,49 6.342,50 1.5,51 4,52 16.788,53 0.204,54 9.442,55 9.442,56 1.176,57 4.01,58 4.01,59 16.911,60 152,62 4.407,63 43.648,64 1,65 3.766,66 6.499,67 6.499,68 5.183,70 6.103}
{0 CHEMBL367697,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.332,15 1,16 18.389,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.209,23 3,24 1.649,25 11.12,26 16.57,27 1,28 2.628,29 14.767,30 1,31 1,32 1,33 12.986,34 8.019,35 10.443,36 73.245,37 6.312,38 275,39 68,40 4.234,41 4.92,42 7.421,43 4.822,44 4.676,45 9.186,46 3.48,47 1,48 36.221,49 6.549,50 1.778,51 1,52 24.956,53 0.176,54 10.394,55 10.394,56 0.894,57 4.173,58 4.173,59 17.99,60 353,61 1,62 4.846,63 60.597,65 4.082,66 6.747,67 6.747,68 5.692,69 42.683,70 8.921}
{0 CHEMBL367700,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.321,15 1,16 18.388,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.207,23 3,24 1.649,25 11.119,26 16.569,27 1,28 2.628,29 14.766,30 1,31 1,32 1,33 12.983,34 8.019,35 10.441,36 72.102,37 6.297,38 271,39 67,40 4.22,41 4.905,42 7.409,43 4.801,44 4.658,45 9.186,46 3.478,47 1,48 35.181,49 6.549,50 1.778,51 1,52 24.304,53 0.178,54 10.394,55 10.394,56 0.81,57 4.173,58 4.173,59 17.99,60 324,61 1,62 4.812,63 58.836,65 4.056,66 6.747,67 6.747,68 5.664,69 42.683,70 9.222}
{0 CHEMBL367787,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.569,16 18.309,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.03,23 4,24 1.5,25 11.026,26 16.478,27 2,28 2.5,29 14.664,30 2,31 1,32 1,33 12.873,34 7.892,35 10.337,36 69.184,37 6.244,38 257,39 63,40 4.159,41 4.844,42 7.347,43 4.76,44 4.601,45 9.048,46 3.509,47 1,48 33.864,49 6.509,50 1.682,51 1,52 23.089,53 0.177,54 10.207,55 10.207,56 0.937,57 4.179,58 4.179,59 18.137,60 252,61 1,62 4.775,63 55.921,65 4.026,66 6.774,67 6.774,68 5.598,69 59.346,70 8.921}
{0 CHEMBL367837,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.644,16 18.441,17 2,18 11.213,19 11.213,20 11.213,21 6,22 13.136,23 4,24 1.5,25 11.147,26 16.598,27 2,28 2.5,29 14.773,30 2,31 1,32 1,33 12.972,34 8.003,35 10.447,36 73.51,37 6.308,38 274,39 67,40 4.22,41 4.905,42 7.41,43 4.925,44 4.752,45 9.155,46 3.522,47 1,48 41.071,49 6.774,50 1.703,51 1,52 27.816,53 0.172,54 11.107,55 11.107,56 1.027,57 4.18,58 4.18,59 18.242,60 257,61 1,62 4.948,63 61.205,65 4.102,66 6.798,67 6.798,68 5.787,69 42.683,70 9.222}
{0 CHEMBL367838,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.599,15 1,16 18.378,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.162,23 4,24 1.682,25 11.111,26 16.554,27 2,28 2.644,29 14.747,30 1,31 1,32 1,33 12.962,34 7.989,35 10.43,36 73.742,37 6.315,38 276,39 68,40 4.234,41 4.92,42 7.425,43 4.833,44 4.684,45 9.152,46 3.524,47 1,48 36.963,49 6.548,50 1.808,51 1,52 25.467,53 0.173,54 10.387,55 10.387,56 0.828,57 4.182,58 4.182,59 18.151,60 288,61 1,62 4.86,63 59.381,65 4.083,66 6.774,67 6.774,68 5.707,69 42.683,70 8.658}
{0 CHEMBL367863,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.585,16 18.542,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.257,23 4,24 1.705,25 11.254,26 16.707,27 2,28 2.695,29 14.886,30 2,31 1,32 1,33 13.086,34 8.202,35 10.641,36 75.551,37 6.34,38 283,39 71,40 4.277,41 4.963,42 7.468,43 4.82,44 4.698,45 9.381,46 3.515,47 1,48 35.13,49 6.638,50 1.945,51 1,52 25.522,53 0.172,54 10.748,55 10.748,56 0.507,57 4.179,58 4.179,59 18.137,60 254,61 1,62 4.835,63 57.495,65 4.07,66 6.774,67 6.774,68 5.712,69 42.683,70 8.319}
{0 CHEMBL367894,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.586,16 18.342,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.104,23 4,24 1.5,25 11.072,26 16.518,27 2,28 2.5,29 14.71,30 2,31 1,32 1,33 12.923,34 7.945,35 10.392,36 70.662,37 6.275,38 265,39 65,40 4.19,41 4.875,42 7.382,43 4.831,44 4.651,45 9.11,46 3.528,47 1,48 38.37,49 6.482,50 1.701,51 1,52 26.103,53 0.176,54 10.095,55 10.095,56 0.974,57 4.179,58 4.179,59 18.136,60 246,61 1,62 4.866,63 57.683,65 4.05,66 6.774,67 6.774,68 5.717,69 42.683,70 7.119}
{0 CHEMBL367897,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.315,15 1,16 18.389,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.206,23 3,24 1.749,25 11.12,26 16.569,27 1,28 2.671,29 14.765,30 1,31 1,32 1,33 12.982,34 8.019,35 10.441,36 70.555,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.397,43 4.793,44 4.649,45 9.187,46 3.477,47 1,48 34.696,49 6.549,50 1.778,51 1,52 23.687,53 0.18,54 10.394,55 10.394,56 0.82,57 4.173,58 4.173,59 17.99,60 262,61 1,62 4.808,63 57.626,65 4.034,66 6.747,67 6.747,68 5.657,69 60.694,70 9.301}
{0 CHEMBL367901,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.149,15 1,16 19.05,17 2,18 11.964,19 11.964,20 11.964,21 5,22 13.584,23 2,24 1.971,25 11.589,26 17.162,27 1,28 2.874,29 15.289,30 1,31 1,32 1,33 13.436,34 8.578,35 11.031,36 79.658,37 6.418,38 306,39 78,40 4.369,41 5.056,42 7.577,43 4.759,44 4.663,45 9.789,46 3.458,47 1,48 32.466,49 7.052,50 1.988,51 1,52 23.427,53 0.175,54 11.446,55 11.446,56 0.749,57 4.279,58 4.279,59 19.271,60 212,61 1,62 4.76,63 56.245,65 4.062,66 7.183,67 7.183,68 5.669,69 42.683,70 8.495}
{0 CHEMBL367916,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 38.459,15 1,16 19.264,17 2,18 13.61,19 13.61,20 13.61,21 6,22 13.818,23 2,24 2.091,25 11.731,26 17.327,27 1,28 2.989,29 15.411,30 1,31 1,32 1,33 13.522,34 8.662,35 11.136,36 86.263,37 6.472,38 323,39 81,40 4.407,41 5.094,42 7.622,43 4.892,44 4.752,45 9.859,46 3.597,47 1,48 37.627,49 7.371,50 2.233,51 1,52 26.877,53 0.167,54 12.75,55 12.75,56 0.936,57 4.42,58 4.42,59 21.567,60 346,61 1,62 4.9,63 64.938,64 1,65 4.18,66 7.666,67 7.666,68 5.727,69 42.683,70 8.959}
{0 CHEMBL367987,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.197,15 1,16 18.467,17 2,18 10.919,19 10.919,20 10.919,21 6,22 13.324,23 2,24 1.757,25 11.191,26 16.648,27 1,28 2.693,29 14.843,30 1,31 1,32 1,33 13.059,34 8.089,35 10.517,36 77.4,37 6.368,38 291,39 72,40 4.29,41 4.977,42 7.486,43 4.805,44 4.663,45 9.257,46 3.564,47 1,48 35.038,49 6.549,50 1.974,51 1,52 24.613,53 0.171,54 10.394,55 10.394,56 0.843,57 4.167,58 4.167,59 17.904,60 314,61 1,62 4.809,63 60.62,65 4.107,66 6.728,67 6.728,68 5.648,69 42.683,70 9.523}
{0 CHEMBL367988,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.413,15 1,16 18.773,17 2,18 12.75,19 12.75,20 12.75,21 6,22 13.439,23 2,24 2.08,25 11.388,26 16.899,27 1,28 2.914,29 15.047,30 1,31 1,32 1,33 13.222,34 8.324,35 10.779,36 82.404,37 6.422,38 307,39 77,40 4.357,41 5.043,42 7.551,43 4.902,44 4.757,45 9.511,46 3.592,47 1,48 38.858,49 6.559,50 2.101,51 1,52 27.152,53 0.167,54 10.426,55 10.426,56 0.87,57 4.42,58 4.42,59 20.393,60 386,61 1,62 4.906,63 64.597,65 4.163,66 7.371,67 7.371,68 5.753,69 42.683,70 8.959}
{0 CHEMBL368000,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.366,15 1,16 18.425,17 2,18 10.988,19 10.988,20 10.988,21 6,22 13.311,23 3,24 2.059,25 11.169,26 16.613,27 1,28 2.914,29 14.817,30 1,31 1,32 1,33 13.043,34 8.071,35 10.498,36 81.067,37 6.409,38 303,39 75,40 4.331,41 5.017,42 7.519,43 4.89,44 4.744,45 9.234,46 3.583,47 1,48 38.662,49 6.549,50 2.083,51 1,52 27.074,53 0.166,54 10.394,55 10.394,56 0.909,57 4.173,58 4.173,59 17.99,60 386,61 1,62 4.913,63 64.597,65 4.163,66 6.747,67 6.747,68 5.742,69 42.683,70 9.301}
{0 CHEMBL368098,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.126,15 3,16 18.433,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.257,23 2,24 1.757,25 11.146,26 16.612,27 1,28 2.693,29 14.805,30 1,31 1,32 1,33 13.018,34 8.05,35 10.476,36 70.737,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.399,43 4.7,44 4.579,45 9.232,46 3.456,47 1,48 31.23,49 6.55,50 1.936,51 1,52 22.411,53 0.182,54 10.398,55 10.398,56 0.748,57 4.167,58 4.167,59 17.904,60 248,61 1,62 4.709,63 52.972,65 3.98,66 6.728,67 6.728,68 5.588,69 42.683,70 8.301}
{0 CHEMBL368182,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.308,15 1,16 19.059,17 2,18 11.964,19 11.964,20 11.964,21 5,22 13.59,23 3,24 1.985,25 11.601,26 17.171,27 1,28 2.874,29 15.299,30 1,31 1,32 1,33 13.446,34 8.587,35 11.039,36 80.57,37 6.435,38 311,39 79,40 4.382,41 5.069,42 7.59,43 4.803,44 4.704,45 9.796,46 3.479,47 1,48 34.071,49 7.052,50 2.065,51 1,52 24.459,53 0.173,54 11.446,55 11.446,56 0.747,57 4.279,58 4.279,59 19.271,60 234,61 1,62 4.812,63 58.006,65 4.088,66 7.183,67 7.183,68 5.707,69 42.683,70 8.796}
{0 CHEMBL368183,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.597,16 18.418,17 2,18 11.108,19 11.108,20 11.108,21 6,22 13.12,23 4,24 1.5,25 11.117,26 16.576,27 2,28 2.5,29 14.752,30 2,31 1,32 1,33 12.951,34 7.978,35 10.425,36 71.022,37 6.275,38 265,39 65,40 4.19,41 4.875,42 7.382,43 4.812,44 4.653,45 9.139,46 3.515,47 1,48 35.254,49 6.763,50 1.703,51 1,52 24.085,53 0.176,54 11.033,55 11.033,56 0.941,57 4.179,58 4.179,59 18.137,60 253,61 1,62 4.827,63 57.683,65 4.05,66 6.774,67 6.774,68 5.631,69 42.683,70 9}
{0 CHEMBL368204,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.378,15 1,16 18.755,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.364,23 2,24 1.798,25 11.362,26 16.877,27 1,28 2.753,29 15.021,30 1,31 1,32 1,33 13.19,34 8.302,35 10.751,36 75.358,37 6.333,38 281,39 71,40 4.277,41 4.963,42 7.47,43 4.832,44 4.69,45 9.495,46 3.485,47 1,48 35.882,49 6.559,50 1.996,51 1,52 24.73,53 0.178,54 10.426,55 10.426,56 0.764,57 4.42,58 4.42,59 20.393,60 312,61 1,62 4.826,63 60.597,65 4.082,66 7.371,67 7.371,68 5.686,69 42.683,70 9.155}
{0 CHEMBL368265,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.61,16 18.442,17 2,18 11.223,19 11.223,20 11.223,21 6,22 13.132,23 4,24 1.5,25 11.147,26 16.598,27 2,28 2.5,29 14.771,30 2,31 1,32 1,33 12.968,34 8.003,35 10.445,36 70.794,37 6.279,38 266,39 65,40 4.19,41 4.875,42 7.386,43 4.838,44 4.664,45 9.157,46 3.51,47 1,48 37.634,49 6.774,50 1.703,51 1,52 25.709,53 0.176,54 11.107,55 11.107,56 0.986,57 4.18,58 4.18,59 18.252,60 229,61 1,62 4.876,63 57.683,65 4.05,66 6.801,67 6.801,68 5.692,69 42.683,70 8.523}
{0 CHEMBL368309,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.341,15 1,16 18.389,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.211,23 3,24 1.649,25 11.122,26 16.571,27 1,28 2.638,29 14.769,30 1,31 1,32 1,33 12.988,34 8.019,35 10.445,36 74.621,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.433,43 4.856,44 4.705,45 9.186,46 3.499,47 1,48 37.709,49 6.549,50 1.778,51 1,52 25.942,53 0.174,54 10.394,55 10.394,56 0.885,57 4.173,58 4.173,59 17.99,60 382,61 1,62 4.877,63 62.359,65 4.107,66 6.747,67 6.747,68 5.729,69 42.683,70 9}
{0 CHEMBL368329,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.655,15 1,16 18.508,17 2,18 11.112,19 11.112,20 11.112,21 7,22 13.349,23 4,24 1.808,25 11.244,26 16.687,27 2,28 2.771,29 14.883,30 1,31 1,32 1,33 13.099,34 8.125,35 10.562,36 83.176,37 6.441,38 313,39 77,40 4.357,41 5.043,42 7.555,43 4.915,44 4.769,45 9.286,46 3.617,47 1,48 39.503,49 6.549,50 2.099,51 1,52 27.682,53 0.163,54 10.394,55 10.394,56 0.822,57 4.182,58 4.182,59 18.151,60 359,61 1,62 4.928,63 65.143,65 4.187,66 6.774,67 6.774,68 5.754,69 42.683,70 9.523}
{0 CHEMBL368332,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.584,15 3,16 18.429,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.265,23 4,24 1.808,25 11.177,26 16.611,27 2,28 2.771,29 14.809,30 1,31 1,32 1,33 13.029,34 8.059,35 10.497,36 75.965,37 6.351,38 286,39 71,40 4.277,41 4.963,42 7.471,43 4.822,44 4.687,45 9.235,46 3.514,47 1,48 36.136,49 6.549,50 2.09,51 1,52 25.387,53 0.173,54 10.395,55 10.395,56 0.611,57 4.182,58 4.182,59 18.151,60 248,61 1,62 4.84,63 57.495,65 4.07,66 6.774,67 6.774,68 5.691,69 42.683,70 9.046}
{0 CHEMBL368333,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.126,15 3,16 18.385,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.238,23 2,24 1.757,25 11.12,26 16.568,27 1,28 2.693,29 14.767,30 1,31 1,32 1,33 12.986,34 8.021,35 10.449,36 70.325,37 6.271,38 264,39 66,40 4.205,41 4.89,42 7.396,43 4.701,44 4.572,45 9.204,46 3.456,47 1,48 31.685,49 6.549,50 1.974,51 1,52 22.346,53 0.182,54 10.394,55 10.394,56 0.627,57 4.167,58 4.167,59 17.904,60 214,61 1,62 4.709,63 52.972,65 3.98,66 6.728,67 6.728,68 5.578,69 42.683,70 8.585}
{0 CHEMBL368375,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 2,10 1,11 1,12 1,13 5,14 12.292,15 1,16 18.373,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.193,23 3,24 1.649,25 11.1,26 16.553,27 1,28 2.628,29 14.749,30 1,31 1,32 1,33 12.965,34 8.001,35 10.425,36 69.444,37 6.263,38 262,39 65,40 4.19,41 4.875,42 7.381,43 4.757,44 4.615,45 9.173,46 3.476,47 1,48 33.647,49 6.549,50 1.778,51 1,52 23.319,53 0.182,54 10.394,55 10.394,56 0.787,57 4.173,58 4.173,59 17.99,60 266,61 1,62 4.772,63 55.313,65 4.005,66 6.747,67 6.747,68 5.624,69 85.367,70 8.854}
{0 CHEMBL368459,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.602,15 1,16 18.413,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.27,23 4,24 1.682,25 11.153,26 16.593,27 2,28 2.771,29 14.79,30 1,31 1,32 1,33 13.008,34 8.042,35 10.472,36 77.991,37 6.344,38 284,39 70,40 4.263,41 4.949,42 7.458,43 4.842,44 4.698,45 9.203,46 3.517,47 1,48 36.758,49 6.549,50 1.808,51 1,52 25.628,53 0.172,54 10.394,55 10.394,56 0.808,57 4.182,58 4.182,59 18.151,60 322,61 1,62 4.858,63 58.864,65 4.082,66 6.774,67 6.774,68 5.693,69 42.683,70 8.77}
{0 CHEMBL368467,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 38.412,15 1,16 19.066,17 2,18 13.61,19 13.61,20 13.61,21 6,22 13.732,23 3,24 2.058,25 11.581,26 17.15,27 1,28 2.984,29 15.257,30 1,31 1,32 1,33 13.393,34 8.488,35 10.948,36 84.917,37 6.46,38 319,39 79,40 4.382,41 5.069,42 7.592,43 4.88,44 4.739,45 9.672,46 3.589,47 1,48 37.45,49 6.747,50 2.114,51 1,52 26.806,53 0.166,54 10.988,55 10.988,56 0.98,57 4.373,58 4.373,59 21.567,60 346,61 1,62 4.907,63 64.938,64 1,65 4.18,66 7.666,67 7.666,68 5.716,69 42.683,70 9.222}
{0 CHEMBL368517,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 25.137,16 18.383,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.17,23 4,24 1.705,25 11.124,26 16.559,27 2,28 2.695,29 14.753,30 2,31 1,32 1,33 12.969,34 7.989,35 10.439,36 77.272,37 6.344,38 284,39 70,40 4.263,41 4.949,42 7.448,43 4.935,44 4.788,45 9.155,46 3.516,47 1,48 39.82,49 6.56,50 1.939,51 1,52 27.674,53 0.17,54 10.449,55 10.449,56 0.789,57 4.179,58 4.179,59 18.137,60 256,61 1,62 4.917,63 61.353,64 1,65 4.112,66 6.774,67 6.774,68 5.774,69 42.683,70 8.046}
{0 CHEMBL368637,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.452,15 1,16 19.16,17 2,18 14.952,19 14.952,20 14.952,21 5,22 13.38,23 2,24 1.621,25 11.559,26 17.182,27 1,28 2.61,29 15.233,30 1,31 2,32 1,33 13.319,34 8.444,35 10.906,36 68.942,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.402,43 4.779,44 4.629,45 9.61,46 3.464,47 1,48 34.539,49 6.555,50 1.757,51 1,52 24.043,53 0.184,54 10.404,55 10.404,56 1.004,57 4.61,58 4.61,59 22.867,60 238,61 1,62 4.771,63 54.859,65 3.994,66 8.038,67 8.038,68 5.634,69 42.683,70 8.26}
{0 CHEMBL368757,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.606,16 18.448,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.196,23 4,24 1.5,25 11.162,26 16.618,27 2,28 2.5,29 14.803,30 2,31 1,32 1,33 13.008,34 8.042,35 10.473,36 72.552,37 6.308,38 274,39 67,40 4.22,41 4.905,42 7.42,43 4.84,44 4.667,45 9.199,46 3.5,47 1,48 37.981,49 6.586,50 1.71,51 1,52 25.618,53 0.175,54 10.531,55 10.531,56 0.97,57 4.179,58 4.179,59 18.137,60 283,61 1,62 4.867,63 58.688,65 4.065,66 6.774,67 6.774,68 5.719,69 75.581,70 6.914}
{0 CHEMBL368823,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.356,15 1,16 18.745,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.346,23 2,24 1.667,25 11.344,26 16.864,27 1,28 2.637,29 15.004,30 1,31 1,32 1,33 13.17,34 8.284,35 10.733,36 72.108,37 6.297,38 271,39 68,40 4.234,41 4.92,42 7.433,43 4.795,44 4.654,45 9.474,46 3.481,47 1,48 34.934,49 6.559,50 1.798,51 1,52 24.064,53 0.181,54 10.426,55 10.426,56 0.759,57 4.42,58 4.42,59 20.393,60 295,61 1,62 4.783,63 57.075,65 4.029,66 7.371,67 7.371,68 5.665,69 42.683,70 8.824}
{0 CHEMBL368979,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.389,15 1,16 18.874,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.467,23 2,24 1.798,25 11.475,26 16.995,27 1,28 2.753,29 15.135,30 1,31 1,32 1,33 13.297,34 8.47,35 10.912,36 77.468,37 6.361,38 289,39 74,40 4.317,41 5.004,42 7.515,43 4.849,44 4.707,45 9.667,46 3.523,47 1,48 36.371,49 6.559,50 2.097,51 1,52 25.073,53 0.177,54 10.426,55 10.426,56 0.736,57 4.42,58 4.42,59 20.393,60 300,61 1,62 4.847,63 62.359,65 4.107,66 7.371,67 7.371,68 5.696,69 42.683,70 8.699}
{0 CHEMBL369040,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 38.412,15 1,16 19.066,17 2,18 13.61,19 13.61,20 13.61,21 6,22 13.732,23 3,24 2.058,25 11.581,26 17.15,27 1,28 2.984,29 15.257,30 1,31 1,32 1,33 13.393,34 8.488,35 10.948,36 84.917,37 6.46,38 319,39 79,40 4.382,41 5.069,42 7.592,43 4.88,44 4.739,45 9.672,46 3.589,47 1,48 37.45,49 6.747,50 2.114,51 1,52 26.806,53 0.166,54 10.988,55 10.988,56 0.98,57 4.373,58 4.373,59 21.567,60 346,61 1,62 4.907,63 64.938,64 1,65 4.18,66 7.666,67 7.666,68 5.716,69 42.683,70 8.959}
{0 CHEMBL369059,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.334,15 1,16 18.437,17 2,18 10.988,19 10.988,20 10.988,21 6,22 13.262,23 3,24 1.778,25 11.176,26 16.623,27 1,28 2.723,29 14.824,30 1,31 1,32 1,33 13.045,34 8.104,35 10.517,36 75.692,37 6.354,38 287,39 71,40 4.277,41 4.963,42 7.471,43 4.813,44 4.671,45 9.272,46 3.58,47 1,48 35.439,49 6.549,50 2.06,51 1,52 24.615,53 0.173,54 10.394,55 10.394,56 0.815,57 4.173,58 4.173,59 17.99,60 311,61 1,62 4.823,63 59.836,65 4.09,66 6.747,67 6.747,68 5.668,69 42.683,70 9.523}
{0 CHEMBL369151,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.139,15 1,16 18.334,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.06,23 2,24 1.434,25 11.054,26 16.51,27 1,28 2.435,29 14.703,30 1,31 1,32 1,33 12.916,34 7.947,35 10.38,36 66.729,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.332,43 4.767,44 4.603,45 9.122,46 3.456,47 1,48 35,49 6.549,50 1.617,51 1,52 23.838,53 0.185,54 10.394,55 10.394,56 0.798,57 4.167,58 4.167,59 17.904,60 226,61 1,62 4.757,63 55.381,65 3.995,66 6.728,67 6.728,68 5.664,69 42.683,70 8.638}
{0 CHEMBL369189,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,13 5,14 12.634,16 18.356,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.11,23 4,24 1.5,25 11.086,26 16.528,27 2,28 2.5,29 14.718,30 2,31 1,32 1,33 12.93,34 7.951,35 10.402,36 73.488,37 6.304,38 273,39 67,40 4.22,41 4.905,42 7.407,43 4.942,44 4.769,45 9.113,46 3.536,47 1,48 41.674,49 6.551,50 1.711,51 1,52 28.254,53 0.172,54 10.409,55 10.409,56 1.033,57 4.179,58 4.179,59 18.137,60 254,61 1,62 4.945,63 61.205,65 4.102,66 6.774,67 6.774,68 5.799,69 42.683,70 8.046}
{0 CHEMBL369235,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.387,15 1,16 18.816,17 2,18 12.75,19 12.75,20 12.75,21 7,22 13.486,23 2,24 2.056,25 11.423,26 16.938,27 1,28 2.881,29 15.079,30 1,31 1,32 1,33 13.245,34 8.35,35 10.805,36 76.968,37 6.372,38 292,39 73,40 4.304,41 4.99,42 7.512,43 4.836,44 4.698,45 9.542,46 3.499,47 1,48 35.645,49 6.559,50 2.113,51 1,52 24.796,53 0.174,54 10.426,55 10.426,56 0.795,57 4.42,58 4.42,59 20.393,60 275,61 1,62 4.825,63 59.62,65 4.091,66 7.371,67 7.371,68 5.678,69 42.683,70 9.699}
{0 CHEMBL369277,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.332,15 1,16 18.389,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.209,23 3,24 1.649,25 11.12,26 16.57,27 1,28 2.628,29 14.767,30 1,31 1,32 1,33 12.986,34 8.019,35 10.443,36 73.245,37 6.312,38 275,39 68,40 4.234,41 4.92,42 7.421,43 4.822,44 4.676,45 9.186,46 3.48,47 1,48 36.221,49 6.549,50 1.778,51 1,52 24.956,53 0.176,54 10.394,55 10.394,56 0.894,57 4.173,58 4.173,59 17.99,60 353,61 1,62 4.846,63 60.597,65 4.082,66 6.747,67 6.747,68 5.692,69 42.683,70 8.959}
{0 CHEMBL369278,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.173,15 1,16 18.371,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.201,23 2,24 1.617,25 11.101,26 16.553,27 1,28 2.606,29 14.751,30 1,31 1,32 1,33 12.97,34 8.003,35 10.429,36 72.302,37 6.293,38 270,39 67,40 4.22,41 4.905,42 7.405,43 4.779,44 4.634,45 9.173,46 3.46,47 1,48 34.674,49 6.549,50 1.757,51 1,52 23.925,53 0.178,54 10.394,55 10.394,56 0.897,57 4.167,58 4.167,59 17.904,60 338,61 1,62 4.796,63 58.836,65 4.056,66 6.728,67 6.728,68 5.653,69 42.683,70 9.097}
{0 CHEMBL369311,13 2,14 36.535,16 18.428,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.329,24 1.5,25 10.988,26 16.557,28 2.5,29 14.704,33 12.874,34 7.984,35 10.42,36 61.783,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.215,43 4.502,44 4.304,45 9.155,46 3.393,48 27.625,49 6.499,50 1.5,51 4,52 19.677,53 0.194,54 10.177,55 10.177,56 0.95,57 4.18,58 4.18,59 18.545,60 181,62 4.553,63 49.728,64 2,65 3.899,66 7.111,67 7.111,68 5.346,70 7.432}
{0 CHEMBL369352,13 3,14 36.419,16 18.559,17 1,18 11.657,19 11.657,20 11.657,21 5,22 13.395,24 1.5,25 11.129,26 16.682,28 2.5,29 14.823,33 12.986,34 8.118,35 10.553,36 64.683,37 6.159,38 236,39 59,40 4.094,41 4.779,42 7.294,43 4.53,44 4.336,45 9.291,46 3.535,48 27.999,49 6.769,50 1.5,51 4,52 19.953,53 0.188,54 11.061,55 11.061,56 0.932,57 4.229,58 4.229,59 18.555,60 188,62 4.583,63 49.972,64 2,65 3.925,66 7.111,67 7.111,68 5.359,69 31.291,70 7.481}
{0 CHEMBL369398,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 6,14 12.148,15 1,16 18.383,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.217,23 2,24 1.757,25 11.117,26 16.568,27 1,28 2.693,29 14.768,30 1,31 1,32 1,33 12.99,34 8.026,35 10.447,36 73.031,37 6.301,38 272,39 68,40 4.234,41 4.92,42 7.42,43 4.735,44 4.607,45 9.199,46 3.456,47 1,48 32.617,49 6.549,50 1.973,51 1,52 23.008,53 0.178,54 10.394,55 10.394,56 0.63,57 4.167,58 4.167,59 17.904,60 298,61 1,62 4.737,63 55.188,65 4.015,66 6.728,67 6.728,68 5.624,69 42.683,70 9.301}
{0 CHEMBL369478,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.297,15 1,16 18.763,17 2,18 11.657,19 11.657,20 11.657,21 5,22 13.388,23 3,24 1.778,25 11.364,26 16.897,27 1,28 2.723,29 15.048,30 1,31 1,32 1,33 13.22,34 8.323,35 10.763,36 74.114,37 6.34,38 283,39 71,40 4.277,41 4.963,42 7.477,43 4.774,44 4.649,45 9.516,46 3.479,47 1,48 33.858,49 6.747,50 1.985,51 1,52 23.645,53 0.178,54 10.988,55 10.988,56 0.759,57 4.173,58 4.173,59 18.66,60 273,61 1,62 4.788,63 56.433,65 4.042,66 7.111,67 7.111,68 5.647,69 42.683,70 9.301}
{0 CHEMBL369494,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.349,15 1,16 18.736,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.336,23 2,24 1.667,25 11.332,26 16.854,27 1,28 2.637,29 14.993,30 1,31 1,32 1,33 13.158,34 8.271,35 10.724,36 70.745,37 6.279,38 266,39 67,40 4.22,41 4.905,42 7.418,43 4.79,44 4.644,45 9.466,46 3.483,47 1,48 34.468,49 6.559,50 1.798,51 1,52 23.724,53 0.183,54 10.426,55 10.426,56 0.785,57 4.42,58 4.42,59 20.393,60 266,61 1,62 4.783,63 56.62,65 4.021,66 7.371,67 7.371,68 5.647,69 42.683,70 9.222}
{0 CHEMBL369593,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.359,15 1,16 18.428,17 2,18 10.988,19 10.988,20 10.988,21 6,22 13.31,23 3,24 2.014,25 11.173,26 16.615,27 1,28 2.86,29 14.818,30 1,31 1,32 1,33 13.042,34 8.071,35 10.5,36 79.635,37 6.395,38 299,39 74,40 4.317,41 5.004,42 7.508,43 4.851,44 4.708,45 9.236,46 3.582,47 1,48 36.87,49 6.549,50 2.061,51 1,52 25.893,53 0.168,54 10.394,55 10.394,56 0.895,57 4.173,58 4.173,59 17.99,60 356,61 1,62 4.881,63 62.836,65 4.139,66 6.747,67 6.747,68 5.7,69 42.683,70 9.301}
{0 CHEMBL369632,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.609,15 1,16 18.413,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.224,23 4,24 1.682,25 11.153,26 16.593,27 2,28 2.644,29 14.79,30 1,31 1,32 1,33 13.008,34 8.042,35 10.472,36 75.537,37 6.344,38 284,39 70,40 4.263,41 4.949,42 7.458,43 4.854,44 4.708,45 9.203,46 3.514,47 1,48 37.571,49 6.549,50 1.808,51 1,52 25.982,53 0.172,54 10.394,55 10.394,56 0.777,57 4.182,58 4.182,59 18.151,60 322,61 1,62 4.865,63 59.836,65 4.09,66 6.774,67 6.774,68 5.723,69 42.683,70 8.959}
{0 CHEMBL369659,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.305,15 1,16 18.566,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.343,23 3,24 1.778,25 11.277,26 16.739,27 1,28 2.723,29 14.926,30 1,31 1,32 1,33 13.132,34 8.255,35 10.671,36 75.3,37 6.347,38 285,39 72,40 4.29,41 4.977,42 7.482,43 4.78,44 4.656,45 9.435,46 3.477,47 1,48 33.897,49 6.549,50 2.06,51 1,52 24.07,53 0.176,54 10.394,55 10.394,56 0.585,57 4.173,58 4.173,59 17.99,60 300,61 1,62 4.789,63 56.887,65 4.049,66 6.747,67 6.747,68 5.669,69 42.683,70 9.222}
{0 CHEMBL369812,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.359,15 1,16 18.428,17 2,18 10.988,19 10.988,20 10.988,21 6,22 13.31,23 3,24 2.014,25 11.173,26 16.615,27 1,28 2.86,29 14.818,30 1,31 1,32 1,33 13.042,34 8.071,35 10.5,36 79.635,37 6.395,38 299,39 74,40 4.317,41 5.004,42 7.508,43 4.851,44 4.708,45 9.236,46 3.582,47 1,48 36.87,49 6.549,50 2.061,51 1,52 25.893,53 0.168,54 10.394,55 10.394,56 0.895,57 4.173,58 4.173,59 17.99,60 356,61 1,62 4.881,63 62.836,65 4.139,66 6.747,67 6.747,68 5.7,69 42.683,70 9.398}
{0 CHEMBL369822,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.138,15 1,16 18.355,17 2,18 10.919,19 10.919,20 10.919,21 5,22 13.184,23 2,24 1.617,25 11.08,26 16.536,27 1,28 2.606,29 14.732,30 1,31 1,32 1,33 12.949,34 7.984,35 10.41,36 68.802,37 6.244,38 257,39 64,40 4.174,41 4.86,42 7.365,43 4.719,44 4.573,45 9.16,46 3.456,47 1,48 32.292,49 6.549,50 1.757,51 1,52 22.802,53 0.184,54 10.394,55 10.394,56 0.807,57 4.167,58 4.167,59 17.904,60 254,61 1,62 4.724,63 53.955,65 3.981,66 6.728,67 6.728,68 5.574,69 42.683,70 8.886}
{0 CHEMBL369947,13 2,14 36.565,16 18.448,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.372,24 1.5,25 11.015,26 16.582,28 2.5,29 14.734,33 12.909,34 8.021,35 10.448,36 63.59,37 6.116,38 226,39 57,40 4.06,41 4.745,42 7.251,43 4.544,44 4.353,45 9.192,46 3.396,48 28.419,49 6.5,50 1.5,51 4,52 20.017,53 0.193,54 10.182,55 10.182,56 0.927,57 4.18,58 4.18,59 18.545,60 190,62 4.582,63 50.733,64 2,65 3.917,66 7.111,67 7.111,68 5.396,69 32.897,70 6.699}
{0 CHEMBL370552,13 2,14 49.202,16 18.815,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.577,24 1.5,25 11.308,26 16.927,28 2.5,29 15.054,33 13.203,34 8.354,35 10.796,36 74.272,37 6.263,38 262,39 67,40 4.22,41 4.905,42 7.415,43 4.69,44 4.509,45 9.551,46 3.586,48 32.751,49 7.058,50 1.718,51 4,52 23.005,53 0.182,54 11.368,55 11.368,56 1.186,57 4.297,58 4.297,59 18.545,60 262,62 4.748,63 59.234,64 2,65 4.058,66 7.111,67 7.111,68 5.542,69 18.011,70 7.658}
{0 CHEMBL370826,13 2,14 48.067,15 1,16 18.495,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.461,24 1.5,25 11.086,26 16.638,28 2.5,29 14.799,33 12.985,34 8.095,35 10.514,36 70.29,37 6.209,38 248,39 63,40 4.159,41 4.844,42 7.345,43 4.613,44 4.459,45 9.266,46 3.411,48 28.924,49 6.509,50 1.768,51 4,52 20.988,53 0.185,54 10.223,55 10.223,56 0.766,57 4.18,58 4.18,59 18.545,60 238,62 4.628,63 53.887,64 2,65 3.983,66 7.111,67 7.111,68 5.451,69 18.011,70 8.102}
{0 CHEMBL370998,13 2,14 36.558,15 1,16 18.47,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.415,24 1.5,25 11.048,26 16.608,28 2.5,29 14.764,33 12.944,34 8.055,35 10.479,36 65.664,37 6.146,38 233,39 59,40 4.094,41 4.779,42 7.286,43 4.538,44 4.363,45 9.229,46 3.396,48 27.465,49 6.509,50 1.5,51 4,52 20.518,53 0.191,54 10.222,55 10.222,56 0.814,57 4.18,58 4.18,59 18.545,60 202,62 4.584,63 50.523,64 2,65 3.923,66 7.111,67 7.111,68 5.369,70 7.721}
{0 CHEMBL371177,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.304,15 1,16 18.443,17 2,18 11.251,19 11.251,20 11.251,21 7,22 13.281,23 4,24 1.591,25 11.161,26 16.615,27 2,28 2.569,29 14.801,30 1,31 1,32 1,33 13.007,34 8.034,35 10.49,36 67.789,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.412,43 4.552,44 4.41,45 9.228,46 3.324,47 1,48 27.585,49 6.636,50 1.703,51 1,52 20.326,53 0.184,54 10.707,55 10.707,56 0.712,57 4.16,58 4.16,59 18.605,60 177,61 1,62 4.64,63 49.529,64 1,65 3.927,66 6.812,67 6.812,68 5.416,69 42.683,70 9.301}
{0 CHEMBL371691,13 2,14 36.61,16 18.46,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.382,24 1.5,25 11.031,26 16.595,28 2.5,29 14.748,33 12.925,34 8.038,35 10.46,36 64.921,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.269,43 4.574,44 4.395,45 9.203,46 3.396,48 28.929,49 6.501,50 1.5,51 4,52 20.759,53 0.19,54 10.183,55 10.183,56 0.892,57 4.18,58 4.18,59 18.545,60 203,62 4.592,63 51.944,64 2,65 3.938,66 7.111,67 7.111,68 5.419,70 8.201}
{0 CHEMBL371865,13 2,14 36.597,16 18.512,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.432,24 1.5,25 11.078,26 16.649,28 2.5,29 14.802,33 12.977,34 8.078,35 10.508,36 65.954,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.29,43 4.574,44 4.383,45 9.259,46 3.397,48 28.323,49 6.515,50 1.5,51 4,52 21.032,53 0.191,54 10.242,55 10.242,56 0.874,57 4.18,58 4.18,59 18.545,60 202,62 4.622,63 51.444,64 2,65 3.932,66 7.111,67 7.111,68 5.364,70 7.108}
{0 CHEMBL372134,13 2,14 36.625,16 18.46,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.382,24 1.5,25 11.031,26 16.595,28 2.5,29 14.748,33 12.925,34 8.038,35 10.46,36 67.487,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.269,43 4.624,44 4.417,45 9.203,46 3.4,48 30.088,49 6.501,50 1.5,51 4,52 22.508,53 0.19,54 10.183,55 10.183,56 0.957,57 4.18,58 4.18,59 18.545,60 203,62 4.637,63 53.137,64 2,65 3.956,66 7.111,67 7.111,68 5.412,70 7.921}
{0 CHEMBL372297,13 2,14 36.772,16 18.551,17 1,18 11.657,19 11.657,20 11.657,21 5,22 13.49,24 1.5,25 11.133,26 16.689,28 2.5,29 14.845,33 13.023,34 8.122,35 10.551,36 72.629,37 6.256,38 260,39 65,40 4.19,41 4.875,42 7.386,43 4.694,44 4.517,45 9.286,46 3.586,48 31.682,49 6.503,50 1.701,51 4,52 22.729,53 0.178,54 10.19,55 10.19,56 0.957,57 4.18,58 4.18,59 18.545,60 250,62 4.691,63 57.251,64 2,65 4.05,66 7.111,67 7.111,68 5.468,70 7.071}
{0 CHEMBL372640,13 2,14 36.559,15 1,16 18.47,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.415,24 1.5,25 11.048,26 16.608,28 2.5,29 14.764,33 12.944,34 8.055,35 10.479,36 65.492,37 6.146,38 233,39 59,40 4.094,41 4.779,42 7.286,43 4.541,44 4.371,45 9.229,46 3.397,48 27.896,49 6.509,50 1.5,51 4,52 20.096,53 0.191,54 10.222,55 10.222,56 0.816,57 4.18,58 4.18,59 18.545,60 202,62 4.579,63 50.671,64 2,65 3.924,66 7.111,67 7.111,68 5.408,69 32.897,70 6.979}
{0 CHEMBL372733,13 2,14 62.393,16 18.738,17 1,18 11.657,19 11.657,20 11.657,21 5,22 13.753,24 2.018,25 11.326,26 16.869,28 2.879,29 15.017,33 13.186,34 8.359,35 10.786,36 81.272,37 6.354,38 287,39 73,40 4.304,41 4.99,42 7.497,43 4.79,44 4.614,45 9.531,46 3.601,48 34.117,49 6.776,50 2.039,51 4,52 25.349,53 0.171,54 11.206,55 11.206,56 0.877,57 4.18,58 4.18,59 18.545,60 324,62 4.785,63 62.574,64 3,65 4.138,66 7.111,67 7.111,68 5.573,69 16.405,70 7.959}
{0 CHEMBL372852,13 2,14 36.594,16 18.467,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.414,24 1.5,25 11.041,26 16.605,28 2.5,29 14.762,33 12.943,34 8.055,35 10.475,36 65.661,37 6.146,38 233,39 59,40 4.094,41 4.779,42 7.286,43 4.578,44 4.386,45 9.227,46 3.399,48 28.367,49 6.502,50 1.5,51 4,52 21.121,53 0.191,54 10.187,55 10.187,56 0.884,57 4.18,58 4.18,59 18.545,60 202,62 4.619,63 51.444,64 2,65 3.932,66 7.111,67 7.111,68 5.368,70 6.119}
{0 CHEMBL373214,13 2,14 59.863,15 1,16 18.646,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.694,24 1.5,25 11.234,26 16.785,28 2.5,29 14.939,33 13.114,34 8.298,35 10.713,36 73.019,37 6.24,38 256,39 66,40 4.205,41 4.89,42 7.396,43 4.647,44 4.485,45 9.479,46 3.586,48 29.39,49 6.511,50 1.77,51 4,52 22.318,53 0.184,54 10.247,55 10.247,56 0.726,57 4.18,58 4.18,59 18.545,60 250,62 4.648,63 54.989,64 3,65 4.007,66 7.111,67 7.111,68 5.469,69 16.405,70 8.041}
{0 CHEMBL375591,13 2,15 2,16 18.145,17 2,18 11.815,19 11.815,20 11.815,21 5,22 12.943,24 1.148,25 10.853,26 16.306,28 2.158,29 14.485,33 12.688,34 7.714,35 10.141,36 55.734,37 6.033,38 208,39 51,40 3.951,41 4.635,42 7.146,43 4.202,44 4.101,45 8.854,46 3.018,47 1,48 17.476,49 6.142,50 1.5,52 12.042,53 0.198,54 9.051,55 9.051,56 0.837,57 4.208,58 4.208,59 19.184,60 161,62 4.284,63 40.807,64 3,65 3.731,66 6.962,67 6.962,68 4.993,70 4.05}
{0 CHEMBL375781,16 17.504,18 10.958,19 10.958,20 10.958,21 6,22 12.779,24 -1.676,25 10.232,26 15.675,28 0.08,29 13.864,33 12.074,34 7.111,35 9.542,36 27.166,37 5.352,38 105,39 26,40 3.296,41 3.97,42 6.503,43 2.21,44 1.822,45 8.267,46 2.653,48 4.431,49 5.76,50 -1.5,52 3.027,53 0.287,54 7.824,55 7.824,56 1.139,57 4.151,58 4.151,59 18.161,60 30,62 2.814,63 19.818,65 3.054,66 6.719,67 6.719,68 3.349,70 4.35}
{0 CHEMBL377026,13 2,14 36.656,16 18.063,17 1,18 10.487,19 10.487,20 10.487,21 4,22 13.034,24 1.492,25 10.778,26 16.278,28 2.5,29 14.506,33 12.75,34 7.745,35 10.142,36 65.335,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.261,43 4.516,44 4.373,45 8.906,46 3.301,48 24.753,49 5.977,50 1.5,51 2,52 17.848,53 0.191,54 8.389,55 8.389,56 1.024,57 4.063,58 4.063,59 17.658,60 246,62 4.546,63 50.807,64 2,65 3.908,66 6.619,67 6.619,68 5.342,69 32.897,70 8.539}
{0 CHEMBL377551,13 2,14 60.608,16 19.094,17 1,18 11.709,19 11.709,20 11.709,21 4,22 13.858,24 1.604,25 11.541,26 17.184,28 2.573,29 15.287,33 13.41,34 8.598,35 11.047,36 76.574,37 6.312,38 275,39 71,40 4.277,41 4.963,42 7.486,43 4.715,44 4.584,45 9.803,46 3.562,48 30.698,49 7.111,50 2.004,51 4,52 24.933,53 0.182,54 11.659,55 11.659,56 0.838,57 4.21,58 4.21,59 18.84,60 275,62 4.714,63 55.62,64 3,65 4.036,66 7.119,67 7.119,68 5.589,70 7.699}
{0 CHEMBL377914,13 3,14 24.918,15 1,16 17.507,17 1,18 9.281,19 9.281,20 9.281,21 4,22 12.67,24 1,25 10.356,26 15.768,28 2,29 14.042,33 12.333,34 7.31,35 9.75,36 54.035,37 5.948,38 191,39 48,40 3.892,41 4.575,42 7.096,43 4.366,44 4.188,45 8.471,46 3.262,48 23.525,49 5.967,50 1.429,51 6,52 16.352,53 0.202,54 8.397,55 8.397,56 1.001,57 3.925,58 3.925,59 15.68,60 181,62 4.377,63 43.046,65 3.766,66 6.212,67 6.212,68 5.238,69 36.022,70 9.155}
{0 CHEMBL378035,13 2,14 60.701,16 18.835,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.746,24 1.5,25 11.331,26 16.944,28 2.5,29 15.069,33 13.215,34 8.375,35 10.808,36 73.558,37 6.252,38 259,39 66,40 4.205,41 4.89,42 7.407,43 4.72,44 4.553,45 9.563,46 3.554,48 31.774,49 7.111,50 1.5,51 4,52 24.147,53 0.184,54 11.657,55 11.657,56 0.866,57 4.187,58 4.187,59 18.613,60 250,62 4.693,63 56.262,64 3,65 4.024,66 7.111,67 7.111,68 5.533,70 6.879}
{0 CHEMBL379082,13 2,14 60.6,16 18.829,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.74,24 1.5,25 11.324,26 16.937,28 2.5,29 15.06,33 13.204,34 8.363,35 10.802,36 72.438,37 6.232,38 254,39 65,40 4.19,41 4.875,42 7.391,43 4.687,44 4.509,45 9.557,46 3.554,48 30.73,49 7.111,50 1.757,51 4,52 23.721,53 0.187,54 11.657,55 11.657,56 0.87,57 4.188,58 4.188,59 18.624,60 238,62 4.691,63 54.904,64 3,65 4.003,66 7.111,67 7.111,68 5.475,70 9}
{0 CHEMBL380005,13 2,14 60.499,15 1,16 18.827,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.739,24 1.5,25 11.319,26 16.935,28 2.5,29 15.058,33 13.203,34 8.363,35 10.8,36 72.468,37 6.232,38 254,39 65,40 4.19,41 4.875,42 7.391,43 4.655,44 4.493,45 9.555,46 3.552,48 29.733,49 7.111,50 1.5,51 4,52 23.164,53 0.187,54 11.657,55 11.657,56 0.833,57 4.187,58 4.187,59 18.613,60 238,62 4.655,63 53.983,64 3,65 3.995,66 7.111,67 7.111,68 5.483,70 7.337}
{0 CHEMBL380083,13 2,14 60.48,15 2,16 18.846,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.771,24 1.5,25 11.352,26 16.957,28 2.5,29 15.083,33 13.231,34 8.388,35 10.827,36 74.4,37 6.26,38 261,39 67,40 4.22,41 4.905,42 7.421,43 4.653,44 4.506,45 9.585,46 3.553,48 29.273,49 7.111,50 2.029,51 4,52 23.227,53 0.185,54 11.657,55 11.657,56 0.701,57 4.188,58 4.188,59 18.635,60 250,62 4.653,63 53.921,64 3,65 4.002,66 7.111,67 7.111,68 5.489,70 7.398}
{0 CHEMBL380447,12 1,14 26.744,16 18.207,18 10.374,19 10.374,20 10.374,21 6,22 13.344,24 1.756,25 10.964,26 16.415,28 2.713,29 14.637,33 12.877,34 7.874,35 10.291,36 80.51,37 6.344,38 284,39 70,40 4.263,41 4.949,42 7.43,43 4.727,44 4.597,45 9.021,46 3.511,47 1,48 29.783,49 6.218,50 1.809,52 21.587,53 0.167,54 9.301,55 9.301,56 1.097,57 4.081,58 4.081,59 17.284,60 452,62 4.748,63 65.001,64 1,65 4.151,66 6.546,67 6.546,68 5.478,69 18.011,70 8.812}
{0 CHEMBL382079,13 2,14 36.747,16 18.62,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.498,24 1.5,25 11.194,26 16.758,28 2.5,29 14.91,33 13.083,34 8.271,35 10.682,36 73.66,37 6.229,38 253,39 65,40 4.19,41 4.875,42 7.377,43 4.661,44 4.48,45 9.444,46 3.537,48 32.002,49 6.501,50 1.5,51 4,52 22.449,53 0.183,54 10.184,55 10.184,56 0.961,57 4.18,58 4.18,59 18.545,60 250,62 4.733,63 58.234,64 2,65 4.037,66 7.111,67 7.111,68 5.533,69 20.625,70 6.699}
{0 CHEMBL382252,13 2,14 48.971,16 18.505,17 1,18 11.659,19 11.659,20 11.659,21 4,22 13.41,24 1.475,25 11.074,26 16.649,28 2.53,29 14.81,33 12.993,34 8.084,35 10.519,36 68.135,37 6.176,38 240,39 61,40 4.127,41 4.812,42 7.319,43 4.561,44 4.407,45 9.278,46 3.404,48 25.411,49 6.618,50 1.607,51 2,52 19.347,53 0.19,54 10.481,55 10.481,56 1.045,57 4.254,58 4.254,59 18.854,60 232,62 4.588,63 51.909,64 4,65 3.934,66 7.111,67 7.111,68 5.389,69 32.897,70 8.626}
{0 CHEMBL382435,13 2,14 60.584,15 1,16 18.846,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.771,24 1.5,25 11.352,26 16.957,28 2.5,29 15.083,33 13.231,34 8.388,35 10.827,36 74.412,37 6.26,38 261,39 67,40 4.22,41 4.905,42 7.421,43 4.685,44 4.523,45 9.585,46 3.555,48 30.09,49 7.111,50 2.029,51 4,52 23.803,53 0.185,54 11.657,55 11.657,56 0.754,57 4.188,58 4.188,59 18.635,60 250,62 4.689,63 54.841,64 3,65 4.01,66 7.111,67 7.111,68 5.485,70 8.959}
{0 CHEMBL382436,13 3,14 60.903,16 18.875,17 1,18 11.66,19 11.66,20 11.66,21 4,22 13.768,24 1.5,25 11.371,26 16.985,28 2.5,29 15.111,33 13.257,34 8.409,35 10.844,36 75.64,37 6.279,38 266,39 68,40 4.234,41 4.92,42 7.437,43 4.837,44 4.651,45 9.602,46 3.571,48 36.947,49 7.111,50 1.843,51 4,52 27.373,53 0.183,54 11.657,55 11.657,56 0.866,57 4.188,58 4.188,59 18.632,60 262,62 4.814,63 59.33,64 3,65 4.069,66 7.111,67 7.111,68 5.653,70 6.959}
{0 CHEMBL385235,11 10,13 20,14 14.432,16 20.733,18 20.039,19 20.039,20 20.039,21 10,22 14.257,24 2.251,25 12.951,26 18.64,28 3.251,29 16.574,33 14.541,34 9.74,35 12.273,36 122.136,37 6.897,38 494,39 121,40 4.804,41 5.493,42 8.096,43 5.505,44 5.394,45 10.92,46 3.606,48 73.01,49 8.126,50 2.333,52 49.562,53 0.148,54 15.635,55 15.635,56 0.995,57 5.183,58 5.183,59 30.601,60 427,61 10,62 5.483,63 86.33,64 4,65 4.467,66 9.244,67 9.244,68 6.564,69 426.833,70 4.523}
{0 CHEMBL391128,14 11.683,16 17.243,18 9.406,19 9.406,20 9.406,21 2,22 12.659,24 -0.256,25 10.031,26 15.49,28 1.106,29 13.75,33 12.03,34 7.034,35 9.409,36 39.367,37 5.595,38 134,39 34,40 3.555,41 4.234,42 6.696,43 3.606,44 3.548,45 8.169,46 2.929,48 8.145,49 5.889,50 0.061,52 6.457,53 0.245,54 8.098,55 8.098,56 1.486,57 3.949,58 3.949,59 15.772,60 102,61 2,62 3.673,63 28.574,64 1,65 3.35,66 6.247,67 6.247,68 4.497,69 65.794,70 4.523}
{0 CHEMBL391329,16 16.915,18 9.175,19 9.175,20 9.175,21 2,22 12.461,24 -1.04,25 9.773,26 15.188,28 0.669,29 13.476,33 11.784,34 6.783,35 9.172,36 33.798,37 5.46,38 117,39 30,40 3.434,41 4.111,42 6.561,43 3.463,44 3.343,45 7.918,46 2.777,48 8.605,49 5.411,50 -0.436,52 6.015,53 0.259,54 7.152,55 7.152,56 1.245,57 3.872,58 3.872,59 15.474,60 80,61 2,62 3.535,63 25.909,65 3.247,66 6.172,67 6.172,68 4.344,69 115.355,70 4.523}
{0 CHEMBL391378,16 17.041,17 1,18 9.297,19 9.297,20 9.297,21 3,22 12.418,24 -0.443,25 9.915,26 15.309,28 0.883,29 13.592,33 11.892,34 6.88,35 9.302,36 35.546,37 5.541,38 127,39 32,40 3.497,41 4.174,42 6.637,43 3.674,44 3.436,45 8.042,46 2.759,48 11.907,49 5.417,50 -0.258,52 9.478,53 0.248,54 7.171,55 7.171,56 1.275,57 3.889,58 3.889,59 15.66,60 80,62 3.862,63 29.284,65 3.37,66 6.199,67 6.199,68 4.404,70 5.886}
{0 CHEMBL391379,16 17.04,17 1,18 9.297,19 9.297,20 9.297,21 3,22 12.418,24 -0.423,25 9.92,26 15.31,28 0.911,29 13.594,33 11.898,34 6.88,35 9.305,36 37.145,37 5.572,38 131,39 33,40 3.526,41 4.205,42 6.678,43 3.72,44 3.514,45 8.015,46 2.91,48 12.017,49 5.416,50 -0.147,52 9.913,53 0.243,54 7.169,55 7.169,56 0.979,57 3.887,58 3.887,59 15.658,60 87,62 3.888,63 29.739,65 3.385,66 6.199,67 6.199,68 4.469,70 6}
{0 CHEMBL391886,11 1,16 18.074,17 3,18 11.916,19 11.916,20 11.916,21 4,22 12.875,24 0.953,25 10.769,26 16.235,28 2,29 14.418,33 12.628,34 7.82,35 10.212,36 52.295,37 5.953,38 192,39 49,40 3.912,41 4.595,42 7.094,43 4.242,44 4.055,45 8.953,46 3.082,48 19.784,49 6.198,50 1,51 4,52 15.018,53 0.207,54 9.294,55 9.294,56 0.988,57 4.26,58 4.26,59 18.364,60 162,61 1,62 4.367,63 43.319,65 3.737,66 6.998,67 6.998,68 5.048,69 42.683,70 6.678}
{0 CHEMBL392536,11 1,13 2,14 12.934,16 18.462,17 1,18 11.782,19 11.782,20 11.782,21 4,22 13.268,24 1.5,25 11.112,26 16.613,28 2.5,29 14.781,33 12.972,34 8.127,35 10.508,36 67.483,37 6.192,38 244,39 62,40 4.143,41 4.828,42 7.332,43 4.593,44 4.407,45 9.263,46 3.283,48 30.654,49 6.739,50 1.733,51 4,52 22.76,53 0.188,54 10.934,55 10.934,56 1.134,57 4.241,58 4.241,59 18.95,60 249,62 4.648,63 54.819,65 3.973,66 6.973,67 6.973,68 5.435,69 78.705,70 7.456}
{0 CHEMBL392658,16 17.04,17 1,18 9.297,19 9.297,20 9.297,21 3,22 12.418,24 -0.423,25 9.92,26 15.31,28 0.911,29 13.594,33 11.898,34 6.88,35 9.305,36 36.979,37 5.572,38 131,39 33,40 3.526,41 4.205,42 6.678,43 3.762,44 3.542,45 8.015,46 2.91,48 12.494,49 5.416,50 -0.147,52 9.92,53 0.243,54 7.169,55 7.169,56 1.164,57 3.887,58 3.887,59 15.658,60 87,61 1,62 3.913,63 30.29,65 3.395,66 6.199,67 6.199,68 4.507,69 18.011,70 4.523}
{0 CHEMBL392659,11 1,13 1,16 17.115,17 1,18 9.298,19 9.298,20 9.298,21 3,22 12.468,24 -0.389,25 9.996,26 15.391,28 0.933,29 13.681,33 11.989,34 6.986,35 9.389,36 38.761,37 5.624,38 138,39 35,40 3.584,41 4.263,42 6.739,43 3.843,44 3.639,45 8.124,46 2.91,48 13.253,49 5.424,51 4,52 10.784,53 0.24,54 7.19,55 7.19,56 1.149,57 3.89,58 3.89,59 15.66,60 94,62 3.965,63 31.5,65 3.442,66 6.199,67 6.199,68 4.58,69 42.683,70 7.31}
{0 CHEMBL392868,11 1,13 1,16 17.126,17 1,18 9.305,19 9.305,20 9.305,21 3,22 12.47,24 -0.405,25 10.012,26 15.4,28 0.911,29 13.687,33 11.993,34 6.986,35 9.399,36 38.668,37 5.624,38 138,39 35,40 3.584,41 4.263,42 6.739,43 3.851,44 3.652,45 8.132,46 2.931,48 13.246,49 5.488,50 -0.146,52 10.906,53 0.24,54 7.381,55 7.381,56 1.138,57 3.893,58 3.893,59 15.673,60 94,61 1,62 3.968,63 31.5,65 3.442,66 6.2,67 6.2,68 4.601,69 42.683,70 6.824}
{0 CHEMBL393002,11 1,14 12.562,16 18.299,17 1,18 11.782,19 11.782,20 11.782,21 4,22 13.221,24 1,25 10.974,26 16.463,28 2.022,29 14.646,33 12.852,34 8.011,35 10.401,36 63.01,37 6.12,38 227,39 58,40 4.078,41 4.762,42 7.263,43 4.44,44 4.282,45 9.158,46 3.101,48 23.199,49 6.434,50 1.5,51 4,52 18.378,53 0.194,54 9.849,55 9.849,56 1.189,57 4.241,58 4.241,59 18.616,60 216,62 4.441,63 49.125,65 3.872,66 6.973,67 6.973,68 5.165,69 78.705,70 6.77}
{0 CHEMBL393004,11 1,16 19.103,17 1,18 15.005,19 15.005,20 15.005,21 3,22 13.123,24 0.03,25 11.279,26 17.066,28 1.201,29 15.056,33 13.083,34 8.252,35 10.784,36 45.404,37 5.838,38 171,39 44,40 3.807,41 4.489,42 7.013,43 3.918,44 3.787,45 9.472,46 2.91,48 13.273,49 6.199,50 0.333,51 4,52 11.382,53 0.229,54 9.297,55 9.297,56 1.319,57 4.618,58 4.618,59 23.297,60 126,62 4.019,63 33.074,65 3.524,66 8.202,67 8.202,68 4.668,69 42.683,70 6.237}
{0 CHEMBL393068,16 17.322,18 9.176,19 9.176,20 9.176,21 3,22 12.73,24 0.107,25 10.134,26 15.564,28 1.347,29 13.822,33 12.1,34 7.096,35 9.501,36 42.739,37 5.714,38 151,39 38,40 3.664,41 4.344,42 6.815,43 3.7,44 3.572,45 8.219,46 2.994,48 9.793,49 6.142,50 0.891,52 7.858,53 0.227,54 9.053,55 9.053,56 1.249,57 3.879,58 3.879,59 15.476,60 109,61 2,62 3.821,63 32.921,65 3.499,66 6.172,67 6.172,68 4.472,69 82.457,70 5.77}
{0 CHEMBL393069,15 2,16 17.209,18 9.188,19 9.188,20 9.188,21 2,22 12.606,24 -0.621,25 9.997,26 15.453,28 0.794,29 13.711,33 11.988,34 6.986,35 9.383,36 35.972,37 5.525,38 125,39 32,40 3.497,41 4.174,42 6.637,43 3.438,44 3.36,45 8.149,46 2.754,48 6.599,49 6.049,50 -0.41,52 5.979,53 0.256,54 8.682,55 8.682,56 1.105,57 3.876,58 3.876,59 15.517,60 80,61 2,62 3.567,63 25.273,65 3.25,66 6.178,67 6.178,68 4.261,69 82.457,70 5.432}
{0 CHEMBL393274,16 17.245,18 10.026,19 10.026,20 10.026,21 2,22 12.631,24 -0.945,25 10.021,26 15.474,28 0.677,29 13.722,33 11.992,34 7.002,35 9.389,36 35.763,37 5.525,38 125,39 32,40 3.497,41 4.174,42 6.637,43 3.577,44 3.458,45 8.149,46 2.746,48 7.893,49 5.419,50 -0.414,52 6.145,53 0.256,54 7.168,55 7.168,56 1.334,57 3.987,58 3.987,59 16.682,60 87,61 2,62 3.683,63 27.523,65 3.302,66 6.468,67 6.468,68 4.313,69 65.794,70 6.854}
{0 CHEMBL394115,13 1,16 17.167,17 1,18 9.298,19 9.298,20 9.298,21 3,22 12.49,25 10.053,26 15.442,28 1.155,29 13.731,33 12.036,34 7.034,35 9.435,36 41.428,37 5.687,38 147,39 37,40 3.638,41 4.317,42 6.792,43 3.954,44 3.753,45 8.161,46 3.031,48 14.821,49 5.481,50 0.279,51 4,52 11.815,53 0.231,54 7.351,55 7.351,56 1.166,57 3.891,58 3.891,59 15.661,60 122,62 4.061,63 35.023,65 3.529,66 6.199,67 6.199,68 4.689,70 6.347}
{0 CHEMBL394256,13 1,14 11.22,16 17.21,17 1,18 9.299,19 9.299,20 9.299,21 3,22 12.576,24 0.05,25 10.103,26 15.489,28 1.241,29 13.781,33 12.09,34 7.096,35 9.489,36 43.594,37 5.727,38 153,39 39,40 3.689,41 4.369,42 6.841,43 3.967,44 3.775,45 8.23,46 3.035,48 14.43,49 5.525,50 0.327,51 4,52 11.496,53 0.228,54 7.486,55 7.486,56 1.026,57 3.891,58 3.891,59 15.661,60 118,62 4.073,63 35.267,65 3.543,66 6.199,67 6.199,68 4.685,69 18.011,70 6.409}
{0 CHEMBL394684,15 1,16 17.318,18 10.264,19 10.264,20 10.264,21 2,22 12.662,24 -0.127,25 10.11,26 15.541,28 1.078,29 13.784,33 12.051,34 7.066,35 9.453,36 39.48,37 5.624,38 138,39 35,40 3.584,41 4.263,42 6.72,43 4,44 3.856,45 8.192,46 3.051,48 14.912,49 5.426,50 0.122,52 10.663,53 0.24,54 7.18,55 7.18,56 1.135,57 4.012,58 4.012,59 17.023,60 110,61 2,62 4.085,63 31.887,65 3.444,66 6.518,67 6.518,68 4.873,69 65.794,70 5.377}
{0 CHEMBL394685,16 17.03,18 9.175,19 9.175,20 9.175,21 3,22 12.555,24 -0.217,25 9.902,26 15.304,28 1.09,29 13.593,33 11.901,34 6.88,35 9.301,36 38.587,37 5.602,38 135,39 34,40 3.555,41 4.234,42 6.688,43 3.681,44 3.561,45 8.033,46 2.762,48 8.319,49 5.412,50 0.154,52 6.753,53 0.238,54 7.152,55 7.152,56 1.476,57 3.86,58 3.86,59 15.475,60 94,61 1,62 3.716,63 29.017,65 3.368,66 6.172,67 6.172,68 4.331,69 35.899,70 6.125}
{0 CHEMBL395607,14 21.284,16 17.187,18 9.175,19 9.175,20 9.175,21 2,22 12.696,24 -0.648,25 9.974,26 15.44,28 1,29 13.705,33 11.989,34 6.991,35 9.368,36 37.999,37 5.557,38 129,39 33,40 3.526,41 4.205,42 6.663,43 3.491,44 3.383,45 8.132,46 2.86,48 7.297,49 5.929,50 -0.291,52 5.828,53 0.25,54 8.226,55 8.226,56 1.302,57 3.862,58 3.862,59 15.475,60 88,61 2,62 3.612,63 26.551,64 1,65 3.281,66 6.172,67 6.172,68 4.254,69 82.457,70 6.046}
{0 CHEMBL395843,14 21.791,16 17.189,18 9.348,19 9.348,20 9.348,21 2,22 12.696,24 -0.664,25 9.978,26 15.44,28 1,29 13.706,33 11.989,34 6.991,35 9.369,36 38.026,37 5.557,38 129,39 33,40 3.526,41 4.205,42 6.663,43 3.478,44 3.428,45 8.132,46 2.914,48 7.229,49 5.804,50 -0.25,52 5.837,53 0.25,54 7.789,55 7.789,56 1.279,57 3.928,58 3.928,59 15.69,60 94,61 2,62 3.542,63 26.057,64 1,65 3.273,66 6.229,67 6.229,68 4.391,69 82.457,70 5.921}
{0 CHEMBL395844,15 1,16 17.166,18 9.941,19 9.941,20 9.941,21 2,22 12.508,24 -0.905,25 9.925,26 15.389,28 0.783,29 13.632,33 11.898,34 6.899,35 9.296,36 34.053,37 5.468,38 118,39 30,40 3.434,41 4.111,42 6.569,43 3.351,44 3.268,45 8.038,46 2.721,48 6.861,49 5.41,50 -0.427,52 5.412,53 0.259,54 7.149,55 7.149,56 1.267,57 3.95,58 3.95,59 16.611,60 80,61 2,62 3.466,63 24.841,65 3.227,66 6.452,67 6.452,68 4.243,69 82.457,70 4.523}
{0 CHEMBL397295,16 16.823,18 9.175,19 9.175,20 9.175,21 2,22 12.349,24 -1.08,25 9.676,26 15.087,28 0.669,29 13.368,33 11.671,34 6.653,35 9.067,36 32.015,37 5.398,38 110,39 28,40 3.367,41 4.043,42 6.488,43 3.447,44 3.297,45 7.781,46 2.747,48 7.552,49 5.34,50 -0.814,52 5.889,53 0.263,54 6.966,55 6.966,56 1.376,57 3.859,58 3.859,59 15.474,60 68,61 2,62 3.574,63 25.398,65 3.22,66 6.172,67 6.172,68 4.209,69 82.457,70 5.721}
{0 CHEMBL397296,15 1,16 16.915,18 9.175,19 9.175,20 9.175,21 2,22 12.461,24 -1.04,25 9.773,26 15.188,28 0.669,29 13.476,33 11.784,34 6.783,35 9.172,36 33.939,37 5.46,38 117,39 30,40 3.434,41 4.111,42 6.561,43 3.443,44 3.325,45 7.918,46 2.752,48 7.265,49 5.411,50 -0.436,52 5.911,53 0.259,54 7.152,55 7.152,56 1.204,57 3.86,58 3.86,59 15.474,60 80,61 2,62 3.573,63 25.336,65 3.235,66 6.172,67 6.172,68 4.224,69 82.457,70 6.097}
{0 CHEMBL397647,13 1,14 12.37,16 18.298,18 12.506,19 12.506,20 12.506,21 3,22 12.914,24 0.065,25 10.803,26 16.399,28 1.356,29 14.521,33 12.669,34 7.803,35 10.261,36 45.404,37 5.778,38 161,39 41,40 3.738,41 4.419,42 6.927,43 3.646,44 3.497,45 9,46 2.91,48 10.356,49 6.148,50 0.259,51 4,52 7.672,53 0.231,54 9,55 9,56 0.711,57 4.31,58 4.31,59 19.838,60 101,62 3.834,63 35.154,65 3.538,66 7.307,67 7.307,68 4.483,69 18.011,70 6}
{0 CHEMBL39879,16 16.409,18 9.027,19 9.027,20 9.027,21 2,22 11.795,24 -3,25 9.19,26 14.63,28 -0.587,29 12.868,33 11.131,34 6.071,35 8.555,36 18.698,37 4.875,38 65,39 16,40 2.833,41 3.497,42 5.958,43 0.851,44 0.59,45 7.183,46 2.17,48 0.964,49 4.532,50 -3,52 0.637,53 0.331,54 4.789,55 4.789,56 1.367,57 3.809,58 3.809,59 15.063,60 18,62 1.778,63 14.296,65 2.717,66 6.135,67 6.135,68 1.861,70 4.4}
{0 CHEMBL401929,13 1,14 13.49,16 18.857,17 1,18 13.189,19 13.189,20 13.189,21 7,22 13.341,24 1.5,25 11.388,26 16.937,28 2.5,29 15.036,33 13.159,34 8.292,35 10.723,36 65.874,37 6.217,38 250,39 61,40 4.127,41 4.812,42 7.358,43 4.391,44 4.235,45 9.426,46 3.4,47 1,48 22.895,49 6.781,50 1.683,51 8,52 15.978,53 0.183,54 11.158,55 11.158,56 1.238,57 4.409,58 4.409,59 20.619,60 172,62 4.529,63 49.66,64 1,65 3.923,66 7.472,67 7.472,68 5.192,70 8.886}
{0 CHEMBL402242,13 4,14 13.339,16 18.376,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.136,24 1.5,25 11.062,26 16.538,28 2.5,29 14.715,33 12.914,34 7.945,35 10.385,36 64.294,37 6.176,38 240,39 59,40 4.094,41 4.779,42 7.29,43 4.521,44 4.377,45 9.121,46 3.309,47 1,48 25.916,49 6.531,50 1.5,51 6,52 17.315,53 0.188,54 10.281,55 10.281,56 1.147,57 4.194,58 4.194,59 18.492,60 214,62 4.567,63 49.887,64 3,65 3.893,66 6.872,67 6.872,68 5.361,69 18.011,70 7.569}
{0 CHEMBL402701,13 3,14 61.359,16 18.792,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.516,24 1.614,25 11.24,26 16.868,28 2.614,29 14.969,33 13.101,34 8.191,35 10.647,36 72.907,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.363,43 4.768,44 4.604,45 9.365,46 3.464,48 33.76,49 6.447,50 1.708,51 4,52 24.923,53 0.18,54 9.928,55 9.928,56 1.36,57 4.361,58 4.361,59 21.324,60 288,62 4.756,63 55.858,64 5,65 4.015,66 7.641,67 7.641,68 5.572,70 5.076}
{0 CHEMBL402776,13 5,14 12.857,16 18.312,17 1,18 11.427,19 11.427,20 11.427,21 5,22 12.959,24 1.169,25 10.977,26 16.463,28 2.221,29 14.63,33 12.817,34 7.851,35 10.295,36 55.306,37 6.023,38 206,39 51,40 3.951,41 4.635,42 7.14,43 4.392,44 4.207,45 9.039,46 3.307,47 1,48 24.47,49 6.531,50 1.335,51 6,52 15.696,53 0.206,54 10.281,55 10.281,56 1.288,57 4.194,58 4.194,59 18.492,60 120,62 4.501,63 45.432,64 3,65 3.775,66 6.872,67 6.872,68 5.327,69 18.011,70 7.018}
{0 CHEMBL404056,13 4,14 13.403,16 18.501,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.224,24 1.5,25 11.157,26 16.653,28 2.5,29 14.82,33 13.005,34 8.03,35 10.477,36 65.173,37 6.192,38 244,39 60,40 4.111,41 4.796,42 7.314,43 4.573,44 4.418,45 9.22,46 3.309,47 1,48 25.854,49 6.531,50 1.624,51 6,52 18.603,53 0.189,54 10.281,55 10.281,56 1.162,57 4.194,58 4.194,59 18.492,60 159,62 4.611,63 49.387,64 3,65 3.887,66 6.872,67 6.872,68 5.34,69 18.011,70 6.268}
{0 CHEMBL405634,13 4,14 13.368,16 18.418,17 1,18 11.427,19 11.427,20 11.427,21 6,22 13.148,24 1.5,25 11.085,26 16.574,28 2.5,29 14.744,33 12.934,34 7.958,35 10.408,36 62.806,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.276,43 4.567,44 4.406,45 9.145,46 3.309,47 1,48 27.293,49 6.531,50 1.621,51 6,52 18.321,53 0.191,54 10.281,55 10.281,56 1.347,57 4.194,58 4.194,59 18.492,60 156,62 4.592,63 49.432,64 3,65 3.884,66 6.872,67 6.872,68 5.386,69 18.011,70 6.567}
{0 CHEMBL406552,13 4,14 26.601,16 18.398,17 1,18 11.06,19 11.06,20 11.06,21 7,22 13.188,24 1.5,25 11.103,26 16.567,28 2.5,29 14.751,33 12.955,34 7.97,35 10.411,36 71.05,37 6.263,38 262,39 64,40 4.174,41 4.86,42 7.373,43 4.699,44 4.52,45 9.137,46 3.393,48 34.332,49 6.547,50 1.834,51 5,52 23.483,53 0.178,54 10.38,55 10.38,56 1.374,57 4.199,58 4.199,59 18.502,60 202,62 4.796,63 54.609,64 4,65 4.007,66 6.768,67 6.768,68 5.618,70 7.658}
{0 CHEMBL408438,13 1,14 39.055,16 19.239,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.606,24 1.5,25 11.63,26 17.252,28 2.5,29 15.284,33 13.342,34 8.537,35 11.017,36 63.766,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.307,43 4.491,44 4.315,45 9.705,46 3.373,48 24.569,49 7.641,50 1.5,52 19.341,53 0.193,54 13.441,55 13.441,56 1.297,57 4.578,58 4.578,59 22.431,60 158,62 4.499,63 47.853,64 3,65 3.887,66 7.748,67 7.748,68 5.238,70 7.312}
{0 CHEMBL408800,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 2,10 1,11 1,12 1,13 5,14 12.292,15 1,16 18.373,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.193,23 3,24 1.649,25 11.1,26 16.553,27 1,28 2.628,29 14.749,30 1,31 1,32 1,33 12.965,34 8.001,35 10.425,36 69.444,37 6.263,38 262,39 65,40 4.19,41 4.875,42 7.381,43 4.757,44 4.615,45 9.173,46 3.476,47 1,48 33.647,49 6.549,50 1.778,51 1,52 23.319,53 0.182,54 10.394,55 10.394,56 0.787,57 4.173,58 4.173,59 17.99,60 266,61 1,62 4.772,63 55.313,65 4.005,66 6.747,67 6.747,68 5.624,69 85.367,70 9.222}
{0 CHEMBL411640,13 4,14 12.805,16 18.298,17 1,18 11.427,19 11.427,20 11.427,21 5,22 12.937,24 1.159,25 10.958,26 16.447,28 2.213,29 14.61,33 12.793,34 7.823,35 10.275,36 54.733,37 6.014,38 204,39 50,40 3.932,41 4.615,42 7.12,43 4.391,44 4.215,45 9.009,46 3.307,47 1,48 23.976,49 6.531,50 1.334,51 6,52 15.448,53 0.205,54 10.281,55 10.281,56 1.408,57 4.194,58 4.194,59 18.492,60 149,62 4.473,63 45.432,64 3,65 3.775,66 6.872,67 6.872,68 5.301,69 18.011,70 6.567}
{0 CHEMBL41275,13 1,14 13.248,16 18.502,18 12.506,19 12.506,20 12.506,21 6,22 13.254,24 1.5,25 11.076,26 16.624,28 2.5,29 14.766,33 12.936,34 8.05,35 10.492,36 62.481,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.272,43 4.317,44 4.17,45 9.221,46 3.31,48 20.871,49 6.321,50 1.5,51 4,52 14.624,53 0.19,54 9.687,55 9.687,56 0.834,57 4.31,58 4.31,59 19.838,60 196,62 4.386,63 50.006,65 3.91,66 7.307,67 7.307,68 5.116,69 18.011,70 8.888}
{0 CHEMBL413058,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 26.051,16 18.579,17 2,18 11.658,19 11.658,20 11.658,21 6,22 13.241,23 4,24 1.5,25 11.255,26 16.725,27 2,28 2.5,29 14.887,30 2,31 1,32 1,33 13.07,34 8.104,35 10.545,36 73.883,37 6.312,38 275,39 67,40 4.22,41 4.905,42 7.424,43 4.836,44 4.666,45 9.263,46 3.511,47 1,48 37.561,49 6.774,50 1.703,51 1,52 25.72,53 0.175,54 11.107,55 11.107,56 0.966,57 4.239,58 4.239,59 19.094,60 226,61 1,62 4.868,63 57.376,65 4.053,66 6.93,67 6.93,68 5.69,69 42.683,70 7.638}
{0 CHEMBL413501,12 1,13 5,14 12.816,16 18.378,17 1,18 11.654,19 11.654,20 11.654,21 8,22 13.152,24 1.5,25 11.074,26 16.536,28 2.5,29 14.708,33 12.901,34 7.923,35 10.396,36 60.924,37 6.151,38 234,39 57,40 4.06,41 4.745,42 7.311,43 4.531,44 4.373,45 9.107,46 3.311,47 1,48 27.445,49 6.523,50 1.599,51 6,52 19.148,53 0.19,54 10.278,55 10.278,56 1.224,57 4.226,58 4.226,59 18.865,60 148,62 4.584,63 46.114,64 1,65 3.853,66 6.922,67 6.922,68 5.408,69 18.011,70 7.409}
{0 CHEMBL413972,13 3,14 13.255,16 18.344,17 2,18 10.981,19 10.981,20 10.981,21 5,22 13.166,24 1.5,25 11.03,26 16.521,28 2.516,29 14.712,33 12.924,34 7.932,35 10.35,36 65.896,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.335,43 4.377,44 4.188,45 9.098,46 3.242,48 25.32,49 6.591,50 1.634,51 4,52 17.61,53 0.187,54 10.336,55 10.336,56 1.074,57 4.15,58 4.15,59 18.137,60 217,62 4.551,63 53.557,64 1,65 3.964,66 6.786,67 6.786,68 5.283,70 7.347}
{0 CHEMBL414222,13 3,16 17.541,17 1,18 10.244,19 10.244,20 10.244,21 4,22 12.363,24 0.024,25 10.297,26 15.738,28 1.079,29 13.95,33 12.185,34 7.182,35 9.63,36 39.852,37 5.687,38 147,39 36,40 3.611,41 4.29,42 6.783,43 3.702,44 3.494,45 8.326,46 2.91,48 12.604,49 6.142,50 0.865,51 1,52 8.707,53 0.229,54 9.054,55 9.054,56 0.94,57 4.036,58 4.036,59 17.049,60 84,62 3.864,63 33.91,65 3.529,66 6.515,67 6.515,68 4.542,69 18.011,70 6.009}
{0 CHEMBL415879,16 17.38,18 10.861,19 10.861,20 10.861,21 6,22 12.606,24 -2.676,25 10.071,26 15.533,28 -0.284,29 13.701,33 11.891,34 6.917,35 9.366,36 23.896,37 5.209,38 91,39 22,40 3.135,41 3.807,42 6.34,43 0.851,44 0.59,45 8.051,46 2.213,48 1.057,49 5.71,50 -2.121,52 0.705,53 0.297,54 7.604,55 7.604,56 1.309,57 4.121,58 4.121,59 18.059,60 20,62 1.778,63 16.296,65 2.898,66 6.699,67 6.699,68 1.861,70 4.288}
{0 CHEMBL416512,13 1,14 13.354,16 18.725,17 2,18 13.189,19 13.189,20 13.189,21 5,22 13.196,24 1.5,25 11.251,26 16.812,28 2.5,29 14.92,33 13.056,34 8.187,35 10.619,36 63.679,37 6.168,38 238,39 59,40 4.094,41 4.779,42 7.306,43 4.616,44 4.428,45 9.334,46 3.216,48 31.085,49 6.784,50 1.5,51 8,52 21.281,53 0.188,54 10.975,55 10.975,56 1.273,57 4.409,58 4.409,59 20.55,60 172,62 4.721,63 52.7,64 1,65 3.949,66 7.472,67 7.472,68 5.487,70 7.125}
{0 CHEMBL417825,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 2,13 6,14 12.172,15 2,16 18.129,17 2,18 10.708,19 10.708,20 10.708,21 5,22 12.953,23 4,24 1.5,25 10.887,26 16.335,27 1,28 2.5,29 14.556,30 1,31 1,32 1,33 12.795,34 7.849,35 10.248,36 65.337,37 6.18,38 241,39 60,40 4.111,41 4.796,42 7.295,43 4.618,44 4.473,45 9.007,46 3.398,48 30.119,49 6.324,50 1.663,51 1,52 21.411,53 0.186,54 9.508,55 9.508,56 0.682,57 4.147,58 4.147,59 17.669,60 237,61 1,62 4.671,63 51.239,65 3.949,66 6.636,67 6.636,68 5.528,69 85.367,70 8.319}
{0 CHEMBL418120,13 1,14 25.474,16 18.89,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.443,24 1.5,25 11.413,26 16.98,28 2.655,29 15.087,33 13.217,34 8.339,35 10.763,36 70.819,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.386,43 4.563,44 4.408,45 9.489,46 3.192,48 27.985,49 6.858,50 1.69,51 8,52 19.046,53 0.185,54 11.226,55 11.226,56 1.068,57 4.41,58 4.41,59 20.588,60 180,62 4.706,63 51.881,64 1,65 3.944,66 7.472,67 7.472,68 5.437,70 5.523}
{0 CHEMBL418954,13 1,14 51.766,16 19.455,17 1,18 15.079,19 15.079,20 15.079,21 6,22 13.859,24 1.456,25 11.824,26 17.456,28 2.5,29 15.473,33 13.512,34 8.738,35 11.239,36 63.648,37 6.18,38 241,39 60,40 4.111,41 4.796,42 7.347,43 4.444,44 4.239,45 9.927,46 3.463,48 22.787,49 7.641,50 1.5,52 19.258,53 0.195,54 13.441,55 13.441,56 1.191,57 4.683,58 4.683,59 23.373,60 158,62 4.465,63 47.193,64 4,65 3.88,66 7.898,67 7.898,68 5.144,70 7.301}
{0 CHEMBL419172,13 2,14 38.876,16 18.992,17 1,18 14.483,19 14.483,20 14.483,21 7,22 13.409,24 1.573,25 11.522,26 17.053,28 2.561,29 15.138,33 13.252,34 8.4,35 10.868,36 69.781,37 6.26,38 261,39 64,40 4.174,41 4.86,42 7.397,43 4.484,44 4.368,45 9.566,46 3.369,48 22.527,49 6.779,50 1.769,52 16.781,53 0.183,54 11.052,55 11.052,56 0.87,57 4.604,58 4.604,59 22.431,60 191,61 1,62 4.465,63 48.659,64 2,65 3.925,66 7.748,67 7.748,68 5.229,69 18.011,70 6.218}
{0 CHEMBL419895,11 1,13 3,16 18.188,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.788,24 1.209,25 10.871,26 16.336,28 2.227,29 14.503,33 12.697,34 7.87,35 10.298,36 57.004,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.168,43 4.608,44 4.417,45 9.009,46 3.304,48 30.393,49 6.559,50 1.386,51 5,52 20.558,53 0.192,54 10.451,55 10.451,56 1.066,57 4.242,58 4.242,59 18.633,60 198,62 4.629,63 50.461,65 3.903,66 6.972,67 6.972,68 5.486,69 42.683,70 8.222}
{0 CHEMBL420057,13 1,14 26.473,16 19.233,17 1,18 14.308,19 14.308,20 14.308,21 6,22 13.631,24 1.5,25 11.623,26 17.253,28 2.5,29 15.293,33 13.359,34 8.551,35 11.015,36 66.78,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.34,43 4.567,44 4.393,45 9.715,46 3.374,48 24.681,49 7.641,50 1.697,52 20.348,53 0.192,54 13.441,55 13.441,56 1.213,57 4.548,58 4.548,59 22.192,60 180,62 4.561,63 49.114,64 3,65 3.903,66 7.716,67 7.716,68 5.241,70 6}
{0 CHEMBL420242,13 2,14 26.286,16 18.702,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.343,24 1.5,25 11.117,26 16.759,28 2.5,29 14.839,33 12.949,34 8.05,35 10.527,36 55.9,37 6.019,38 205,39 51,40 3.951,41 4.635,42 7.151,43 4.479,44 4.304,45 9.232,46 3.35,48 23.749,49 6.453,50 1.5,52 18.547,53 0.201,54 9.955,55 9.955,56 1.468,57 4.421,58 4.421,59 21.33,60 178,62 4.487,63 45.608,64 3,65 3.815,66 7.642,67 7.642,68 5.199,70 5.523}
{0 CHEMBL420465,11 1,13 3,16 18.277,17 2,18 11.778,19 11.778,20 11.778,21 6,22 13.018,24 1.5,25 10.989,26 16.44,28 2.5,29 14.623,33 12.833,34 7.987,35 10.411,36 67.681,37 6.225,38 252,39 63,40 4.159,41 4.844,42 7.335,43 4.709,44 4.522,45 9.131,46 3.513,47 1,48 33.585,49 6.559,50 1.5,51 5,52 22.733,53 0.177,54 10.451,55 10.451,56 0.886,57 4.242,58 4.242,59 18.633,60 266,62 4.725,63 56.478,64 2,65 4.025,66 6.972,67 6.972,68 5.574,69 59.224,70 9}
{0 CHEMBL421168,13 1,14 26.936,16 19.249,17 1,18 14.308,19 14.308,20 14.308,21 6,22 13.638,24 1.5,25 11.646,26 17.268,28 2.5,29 15.307,33 13.373,34 8.568,35 11.028,36 67.77,37 6.205,38 247,39 61,40 4.127,41 4.812,42 7.357,43 4.664,44 4.483,45 9.726,46 3.376,48 28.644,49 7.667,50 1.698,52 23.108,53 0.189,54 13.614,55 13.614,56 1.215,57 4.548,58 4.548,59 22.293,60 190,62 4.67,63 50.875,64 3,65 3.934,66 7.716,67 7.716,68 5.38,70 5}
{0 CHEMBL421342,13 2,14 61.283,16 18.792,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.512,24 1.5,25 11.24,26 16.868,28 2.5,29 14.969,33 13.101,34 8.191,35 10.647,36 72.233,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.363,43 4.769,44 4.607,45 9.365,46 3.453,48 33.723,49 6.447,50 1.622,51 4,52 24.53,53 0.18,54 9.928,55 9.928,56 1.395,57 4.421,58 4.421,59 21.324,60 288,62 4.758,63 55.864,64 7,65 4.005,66 7.641,67 7.641,68 5.59,70 8.824}
{0 CHEMBL421356,13 1,14 52.144,16 19.486,17 1,18 15.079,19 15.079,20 15.079,21 6,22 13.922,24 1.62,25 11.864,26 17.494,28 2.593,29 15.52,33 13.569,34 8.783,35 11.279,36 69.604,37 6.256,38 260,39 65,40 4.19,41 4.875,42 7.432,43 4.583,44 4.42,45 9.972,46 3.464,48 24.805,49 7.641,50 1.731,52 20.784,53 0.189,54 13.441,55 13.441,56 1.084,57 4.683,58 4.683,59 23.373,60 179,62 4.57,63 50.023,64 4,65 3.937,66 7.898,67 7.898,68 5.281,70 7}
{0 CHEMBL421527,13 2,14 38.239,16 18.723,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.345,24 1.258,25 11.152,26 16.785,28 2.318,29 14.869,33 12.983,34 8.179,35 10.639,36 56.839,37 5.999,38 201,39 52,40 3.97,41 4.654,42 7.151,43 4.554,44 4.359,45 9.374,46 3.367,48 29.017,49 6.446,50 1.5,51 4,52 20.829,53 0.206,54 10.157,55 10.157,56 1.19,57 4.421,58 4.421,59 21.324,60 179,62 4.571,63 47.188,64 4,65 3.816,66 7.641,67 7.641,68 5.449,69 18.011,70 6}
{0 CHEMBL421598,11 1,13 1,14 26.025,16 18.849,17 1,18 13.442,19 13.442,20 13.442,21 4,22 13.401,24 1.217,25 11.261,26 16.897,28 2.286,29 14.966,33 13.062,34 8.267,35 10.72,36 57.841,37 6.061,38 214,39 54,40 4.007,41 4.691,42 7.195,43 4.596,44 4.407,45 9.437,46 3.389,48 27.743,49 6.972,50 1.401,51 4,52 21.858,53 0.196,54 11.778,55 11.778,56 1.322,57 4.408,58 4.408,59 21.333,60 210,62 4.593,63 49.375,64 3,65 3.884,66 7.642,67 7.642,68 5.362,69 42.683,70 8.187}
{0 CHEMBL422326,13 2,14 13.18,16 18.803,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.185,24 1,25 11.302,26 16.885,28 2,29 14.985,33 13.107,34 8.239,35 10.665,36 55.969,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.217,43 4.336,44 4.085,45 9.402,46 3.122,48 22.128,49 6.784,50 1.274,51 4,52 18.521,53 0.208,54 10.975,55 10.975,56 0.923,57 4.416,58 4.416,59 20.688,60 164,62 4.443,63 46.324,64 2,65 3.776,66 7.475,67 7.475,68 5.114,70 7.959}
{0 CHEMBL423000,13 1,14 12.98,15 1,16 19.068,17 1,18 13.19,19 13.19,20 13.19,21 4,22 13.412,24 1.213,25 11.528,26 17.129,28 2.352,29 15.206,33 13.305,34 8.488,35 10.926,36 64.916,37 6.172,38 239,39 60,40 4.111,41 4.796,42 7.336,43 4.329,44 4.196,45 9.656,46 3.177,48 21.423,49 7.336,50 1.5,51 4,52 17.072,53 0.195,54 12.691,55 12.691,56 0.843,57 4.413,58 4.413,59 21.051,60 190,62 4.469,63 45.972,64 1,65 3.841,66 7.472,67 7.472,68 5.265,70 8.523}
{0 CHEMBL423427,13 4,14 12.917,16 18.707,17 1,18 13.142,19 13.142,20 13.142,21 7,22 13.088,24 1.5,25 11.34,26 16.811,28 2.5,29 14.934,33 13.082,34 8.25,35 10.696,36 68.21,37 6.229,38 253,39 62,40 4.143,41 4.828,42 7.352,43 4.689,44 4.505,45 9.396,46 3.349,48 32.458,49 6.855,50 1.5,51 7,52 22.171,53 0.181,54 11.432,55 11.432,56 1.396,57 4.457,58 4.457,59 20.525,60 228,62 4.699,63 53.37,64 3,65 3.976,66 7.309,67 7.309,68 5.551,70 8.301}
{0 CHEMBL425168,13 2,14 12.74,16 17.805,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.862,24 1.248,25 10.555,26 16.015,28 2.5,29 14.24,33 12.486,34 7.473,35 9.893,36 57.485,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.088,43 4.376,44 4.182,45 8.611,46 3.219,48 24.05,49 6.342,50 1.5,51 4,52 16.682,53 0.199,54 9.446,55 9.446,56 1.207,57 4.009,58 4.009,59 16.915,60 170,62 4.415,63 44.137,64 1,65 3.782,66 6.499,67 6.499,68 5.195,69 18.011,70 5.31}
{0 CHEMBL425845,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.2,15 1,16 18.411,17 2,18 10.919,19 10.919,20 10.919,21 6,22 13.302,23 2,24 1.974,25 11.155,26 16.599,27 1,28 2.86,29 14.803,30 1,31 1,32 1,33 13.028,34 8.055,35 10.486,36 78.698,37 6.378,38 294,39 73,40 4.304,41 4.99,42 7.494,43 4.809,44 4.667,45 9.224,46 3.569,47 1,48 35.293,49 6.549,50 2.015,51 1,52 24.85,53 0.169,54 10.394,55 10.394,56 0.898,57 4.167,58 4.167,59 17.904,60 343,61 1,62 4.833,63 61.075,65 4.114,66 6.728,67 6.728,68 5.661,69 42.683,70 9.222}
{0 CHEMBL426048,13 2,14 39.823,16 19.165,17 1,18 13.634,19 13.634,20 13.634,21 6,22 13.571,24 1.5,25 11.566,26 17.2,28 2.5,29 15.253,33 13.333,34 8.499,35 10.976,36 68.163,37 6.229,38 253,39 63,40 4.159,41 4.844,42 7.375,43 4.77,44 4.588,45 9.681,46 3.44,48 34.281,49 7.454,50 1.528,51 3,52 25.18,53 0.185,54 13.046,55 13.046,56 1.406,57 4.506,58 4.506,59 21.681,60 234,62 4.779,63 53.495,64 4,65 3.977,66 7.664,67 7.664,68 5.564,70 8.194}
{0 CHEMBL426250,13 2,14 12.939,16 17.829,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.787,24 1.293,25 10.576,26 16.031,28 2.33,29 14.25,33 12.491,34 7.496,35 9.9,36 54.72,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.088,43 4.443,44 4.24,45 8.616,46 3.262,48 25.946,49 6.448,50 1.5,51 4,52 17.929,53 0.199,54 9.92,55 9.92,56 1.219,57 4.01,58 4.01,59 16.911,60 176,62 4.501,63 46.415,64 1,65 3.817,66 6.499,67 6.499,68 5.293,69 18.011,70 6.495}
{0 CHEMBL426385,14 25.634,16 17.784,17 1,18 11.035,19 11.035,20 11.035,21 5,22 12.795,24 1.181,25 10.522,26 15.973,28 2.223,29 14.181,33 12.416,34 7.398,35 9.854,36 56.56,37 5.943,38 190,39 47,40 3.871,41 4.554,42 7.04,43 4.23,44 4.099,45 8.542,46 3.218,48 16.72,49 5.981,50 1.23,51 2,52 13.325,53 0.201,54 8.367,55 8.367,56 1.159,57 4.157,58 4.157,59 18.568,60 180,62 4.194,63 43.239,64 2,65 3.755,66 6.768,67 6.768,68 5.014,69 18.011,70 4.31}
{0 CHEMBL426960,13 2,14 34.97,16 17.95,17 1,18 10.177,19 10.177,20 10.177,21 4,22 12.972,24 1.5,25 10.681,26 16.151,28 2.5,29 14.366,33 12.602,34 7.603,35 10.007,36 60.709,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.165,43 4.49,44 4.306,45 8.731,46 3.31,48 27.212,49 6.455,50 1.5,51 4,52 18.819,53 0.193,54 9.965,55 9.965,56 0.955,57 4.01,58 4.01,59 16.911,60 195,62 4.564,63 47.563,64 2,65 3.857,66 6.499,67 6.499,68 5.338,70 6.745}
{0 CHEMBL427122,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.363,15 1,16 18.868,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.467,23 2,24 1.798,25 11.466,26 16.991,27 1,28 2.753,29 15.132,30 1,31 1,32 1,33 13.296,34 8.47,35 10.906,36 78.382,37 6.375,38 293,39 75,40 4.331,41 5.017,42 7.526,43 4.812,44 4.683,45 9.663,46 3.482,47 1,48 35.145,49 6.559,50 2.098,51 1,52 24.401,53 0.175,54 10.426,55 10.426,56 0.501,57 4.42,58 4.42,59 20.393,60 327,61 1,62 4.802,63 58.648,65 4.076,66 7.371,67 7.371,68 5.681,69 42.683,70 9.222}
{0 CHEMBL427137,13 2,14 12.581,16 17.996,17 1,18 10.301,19 10.301,20 10.301,21 3,22 12.751,24 0.815,25 10.673,26 16.172,28 1.904,29 14.36,33 12.566,34 7.716,35 10.128,36 48.686,37 5.844,38 172,39 44,40 3.807,41 4.489,42 6.978,43 4.312,44 4.069,45 8.889,46 3.174,48 24.572,49 6.499,50 1,51 4,52 16.757,53 0.219,54 10.177,55 10.177,56 1.093,57 4.159,58 4.159,59 17.205,60 116,62 4.43,63 43.171,64 1,65 3.72,66 6.519,67 6.519,68 5.253,70 5.26}
{0 CHEMBL427144,13 2,14 13.229,16 18.107,17 1,18 10.177,19 10.177,20 10.177,21 4,22 13.022,24 1.276,25 10.822,26 16.301,28 2.3,29 14.507,33 12.732,34 7.74,35 10.142,36 61.546,37 6.107,38 224,39 55,40 4.025,41 4.71,42 7.216,43 4.538,44 4.365,45 8.878,46 3.269,48 28.131,49 6.4,50 1.5,51 4,52 19.724,53 0.191,54 9.873,55 9.873,56 0.924,57 4.024,58 4.024,59 17.003,60 180,62 4.578,63 50.296,64 1,65 3.894,66 6.499,67 6.499,68 5.43,70 5.959}
{0 CHEMBL427493,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.344,15 1,16 19.022,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.508,23 2,24 1.798,25 11.547,26 17.12,27 1,28 2.753,29 15.235,30 1,31 1,32 1,33 13.372,34 8.525,35 10.985,36 75.496,37 6.354,38 287,39 73,40 4.304,41 4.99,42 7.51,43 4.787,44 4.664,45 9.733,46 3.483,47 1,48 34.054,49 7.111,50 1.986,51 1,52 23.733,53 0.179,54 11.657,55 11.657,56 0.72,57 4.42,58 4.42,59 20.393,60 273,61 1,62 4.78,63 56.433,65 4.042,66 7.371,67 7.371,68 5.658,69 42.683,70 9.523}
{0 CHEMBL428104,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.299,15 1,16 18.193,17 2,18 10.707,19 10.707,20 10.707,21 5,22 12.895,23 4,24 1.423,25 10.932,26 16.378,27 2,28 2.429,29 14.577,30 1,31 1,33 12.797,34 7.813,35 10.258,36 62.724,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.302,43 4.576,44 4.423,45 8.983,46 3.395,48 29.721,49 6.499,50 1.5,51 5,52 20.018,53 0.188,54 10.178,55 10.178,56 0.852,57 4.146,58 4.146,59 17.669,60 186,61 1,62 4.703,63 50.342,64 3,65 3.91,66 6.636,67 6.636,68 5.53,69 42.683,70 7.959}
{0 CHEMBL429442,11 1,14 12.609,16 18.316,17 1,18 11.782,19 11.782,20 11.782,21 4,22 13.193,24 1,25 10.989,26 16.474,28 2.023,29 14.651,33 12.851,34 8.023,35 10.398,36 63.666,37 6.133,38 230,39 58,40 4.078,41 4.762,42 7.265,43 4.433,44 4.287,45 9.145,46 3.094,48 23.733,49 6.512,50 1.5,51 4,52 18.262,53 0.19,54 10.215,55 10.215,56 1.121,57 4.241,58 4.241,59 18.507,60 226,61 2,62 4.463,63 48.682,65 3.869,66 6.973,67 6.973,68 5.222,69 78.705,70 7.569}
{0 CHEMBL429641,16 16.915,18 9.175,19 9.175,20 9.175,21 2,22 12.461,24 -1.04,25 9.773,26 15.188,28 0.669,29 13.476,33 11.784,34 6.783,35 9.172,36 33.964,37 5.46,38 117,39 30,40 3.434,41 4.111,42 6.561,43 3.5,44 3.357,45 7.918,46 2.759,48 7.452,49 5.411,50 -0.436,52 6.188,53 0.259,54 7.152,55 7.152,56 1.335,57 3.86,58 3.86,59 15.474,60 80,61 2,62 3.598,63 26.256,65 3.252,66 6.172,67 6.172,68 4.219,69 82.457,70 6.076}
{0 CHEMBL430818,13 2,14 38.016,16 18.685,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.261,24 1.135,25 11.084,26 16.74,28 2.192,29 14.817,33 12.923,34 8.034,35 10.497,36 52.923,37 5.953,38 192,39 48,40 3.892,41 4.575,42 7.084,43 4.419,44 4.248,45 9.214,46 3.311,48 23.131,49 6.397,50 1.288,51 4,52 17.168,53 0.21,54 9.693,55 9.693,56 1.388,57 4.421,58 4.421,59 21.324,60 147,62 4.432,63 44.972,64 4,65 3.768,66 7.641,67 7.641,68 5.198,70 6.921}
{0 CHEMBL430867,13 4,14 26.152,16 18.138,17 1,18 10.632,19 10.632,20 10.632,21 5,22 12.866,24 1.319,25 10.857,26 16.324,28 2.36,29 14.526,33 12.748,34 7.748,35 10.19,36 63.824,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.239,43 4.644,44 4.483,45 8.92,46 3.342,48 29.817,49 6.441,50 1.5,51 5,52 20.552,53 0.187,54 9.882,55 9.882,56 1.617,57 4.141,58 4.141,59 17.65,60 216,62 4.643,63 51.609,64 4,65 3.932,66 6.62,67 6.62,68 5.479,70 8.699}
{0 CHEMBL430905,13 4,14 25.906,16 18.142,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.874,24 1.32,25 10.866,26 16.327,28 2.334,29 14.527,33 12.747,34 7.748,35 10.193,36 62.995,37 6.125,38 228,39 56,40 4.043,41 4.727,42 7.225,43 4.557,44 4.372,45 8.923,46 3.26,48 30.12,49 6.464,50 1.5,51 5,52 20.242,53 0.189,54 10.011,55 10.011,56 1.397,57 4.14,58 4.14,59 17.644,60 165,62 4.683,63 49.847,64 4,65 3.902,66 6.62,67 6.62,68 5.516,70 7.509}
{0 CHEMBL431009,13 2,14 38.559,16 18.7,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.276,24 1.266,25 11.111,26 16.757,28 2.322,29 14.836,33 12.945,34 8.05,35 10.517,36 57.189,37 6.019,38 205,39 51,40 3.951,41 4.635,42 7.138,43 4.563,44 4.37,45 9.228,46 3.362,48 29.077,49 6.444,50 1.5,51 4,52 20.765,53 0.201,54 9.911,55 9.911,56 1.498,57 4.421,58 4.421,59 21.324,60 190,62 4.628,63 48.949,64 6,65 3.846,66 7.641,67 7.641,68 5.462,70 7.824}
{0 CHEMBL431111,13 2,14 52.619,16 19.51,17 1,18 15.079,19 15.079,20 15.079,21 7,22 13.895,24 1.5,25 11.901,26 17.514,28 2.5,29 15.535,33 13.577,34 8.797,35 11.303,36 67.585,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.424,43 4.482,44 4.337,45 9.985,46 3.46,48 22.803,49 7.672,50 1.619,51 1,52 18.659,53 0.188,54 13.653,55 13.653,56 1.163,57 4.683,58 4.683,59 23.373,60 159,62 4.512,63 47.546,64 4,65 3.914,66 7.898,67 7.898,68 5.238,70 6.77}
{0 CHEMBL431795,13 2,14 26.348,16 18.735,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.397,24 1.5,25 11.169,26 16.797,28 2.5,29 14.883,33 13,34 8.106,35 10.571,36 58.919,37 6.075,38 217,39 54,40 4.007,41 4.691,42 7.209,43 4.514,44 4.347,45 9.282,46 3.354,48 25.246,49 6.498,50 1.505,52 19.545,53 0.197,54 10.161,55 10.161,56 1.322,57 4.421,58 4.421,59 21.325,60 172,62 4.55,63 47.824,64 3,65 3.857,66 7.641,67 7.641,68 5.285,70 7.155}
{0 CHEMBL431852,13 3,14 48.164,16 18.252,17 1,18 10.631,19 10.631,20 10.631,21 5,22 13.171,24 1.655,25 10.967,26 16.443,28 2.665,29 14.649,33 12.873,34 7.874,35 10.304,36 73.082,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.359,43 4.668,44 4.531,45 9.038,46 3.429,48 29.783,49 6.447,50 1.752,51 5,52 20.991,53 0.178,54 9.928,55 9.928,56 1.304,57 4.14,58 4.14,59 17.644,60 275,62 4.68,63 53.239,64 5,65 3.98,66 6.62,67 6.62,68 5.488,70 9.699}
{0 CHEMBL432010,11 1,13 2,14 26.576,16 18.947,17 1,18 13.654,19 13.654,20 13.654,21 5,22 13.457,24 1.218,25 11.391,26 16.997,28 2.308,29 15.066,33 13.161,34 8.36,35 10.825,36 60.477,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.262,43 4.556,44 4.389,45 9.537,46 3.352,48 25.762,49 6.972,50 1.5,51 5,52 20.951,53 0.192,54 11.778,55 11.778,56 1.287,57 4.448,58 4.448,59 21.734,60 210,62 4.586,63 48.614,64 3,65 3.893,66 7.673,67 7.673,68 5.343,69 42.683,70 7.699}
{0 CHEMBL432040,13 1,14 39.135,16 19.248,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.639,24 1.5,25 11.644,26 17.264,28 2.5,29 15.301,33 13.364,34 8.558,35 11.033,36 65.629,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.34,43 4.529,44 4.353,45 9.726,46 3.378,48 24.686,49 7.641,50 1.5,52 19.961,53 0.192,54 13.441,55 13.441,56 1.208,57 4.578,58 4.578,59 22.431,60 165,62 4.529,63 48.711,64 3,65 3.904,66 7.748,67 7.748,68 5.247,70 6.569}
{0 CHEMBL432170,13 2,14 13.234,16 19.09,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.392,24 1.32,25 11.549,26 17.16,28 2.387,29 15.244,33 13.348,34 8.521,35 10.956,36 63.307,37 6.188,38 243,39 61,40 4.127,41 4.812,42 7.359,43 4.415,44 4.285,45 9.695,46 3.142,48 25.354,49 7.111,50 1.5,51 4,52 17.67,53 0.196,54 11.66,55 11.66,56 0.756,57 4.416,58 4.416,59 20.693,60 174,62 4.591,63 48.762,64 2,65 3.872,66 7.475,67 7.475,68 5.409,70 8.959}
{0 CHEMBL432182,13 2,14 39.568,16 18.729,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.375,24 1.5,25 11.166,26 16.795,28 2.5,29 14.886,33 13.01,34 8.1,35 10.573,36 67.282,37 6.18,38 241,39 60,40 4.111,41 4.796,42 7.294,43 4.822,44 4.642,45 9.275,46 3.498,48 36.333,49 6.447,50 1.597,51 4,52 26.309,53 0.183,54 9.93,55 9.93,56 1.623,57 4.421,58 4.421,59 21.324,60 244,62 4.802,63 56.472,64 6,65 4.005,66 7.641,67 7.641,68 5.649,70 8.301}
{0 CHEMBL432360,13 2,14 61.355,16 18.792,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.516,24 1.614,25 11.24,26 16.868,28 2.614,29 14.969,33 13.101,34 8.191,35 10.647,36 72.344,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.363,43 4.756,44 4.598,45 9.365,46 3.465,48 32.67,49 6.447,50 1.708,51 4,52 23.893,53 0.18,54 9.928,55 9.928,56 1.338,57 4.421,58 4.421,59 21.324,60 288,62 4.745,63 55.654,64 5,65 4.001,66 7.641,67 7.641,68 5.562,69 18.011,70 9.125}
{0 CHEMBL432596,4 1,5 1,6 2,7 1,8 1,9 1,11 2,13 3,14 11.026,16 18.249,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.941,23 2,24 1.386,25 10.953,26 16.407,27 2,28 2.386,29 14.585,30 1,31 1,32 2,33 12.79,34 7.955,35 10.374,36 63.895,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.27,43 4.698,44 4.515,45 9.098,46 3.373,48 33.328,49 6.559,50 1.5,51 5,52 22.966,53 0.185,54 10.451,55 10.451,56 0.707,57 4.242,58 4.242,59 18.633,60 230,62 4.71,63 54.887,65 3.992,66 6.972,67 6.972,68 5.573,69 85.367,70 8.222}
{0 CHEMBL432713,9 1,12 1,13 1,14 11.996,16 17.843,17 1,18 10.936,19 10.936,20 10.936,21 5,22 13.039,24 1,25 10.595,26 16.049,28 2.114,29 14.272,33 12.518,34 7.516,35 9.963,36 56.204,37 5.994,38 200,39 50,40 3.932,41 4.615,42 7.098,43 3.988,44 3.817,45 8.694,46 3.267,47 1,48 16.388,49 5.951,50 1.222,52 11.674,53 0.201,54 8.325,55 8.325,56 0.807,57 4.157,58 4.157,59 18.065,60 184,62 4.079,63 44.063,65 3.781,66 6.717,67 6.717,68 4.904,69 77.48,70 5.371}
{0 CHEMBL433635,13 2,14 13.035,16 18.703,17 1,18 13.189,19 13.189,20 13.189,21 5,22 12.994,24 1,25 11.215,26 16.778,28 2.088,29 14.872,33 12.992,34 8.136,35 10.569,36 57.731,37 6.071,38 216,39 53,40 3.989,41 4.673,42 7.207,43 4.322,44 4.146,45 9.27,46 3.202,47 1,48 22.495,49 6.781,50 1.5,51 8,52 15.166,53 0.196,54 11.158,55 11.158,56 1.498,57 4.409,58 4.409,59 20.533,60 164,62 4.497,63 47.938,64 1,65 3.857,66 7.472,67 7.472,68 5.202,70 6.313}
{0 CHEMBL433793,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.371,15 1,16 18.749,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.35,23 2,24 1.757,25 11.352,26 16.868,27 1,28 2.678,29 15.008,30 1,31 1,32 1,33 13.174,34 8.284,35 10.739,36 73.401,37 6.312,38 275,39 69,40 4.248,41 4.934,42 7.445,43 4.825,44 4.683,45 9.478,46 3.481,47 1,48 35.994,49 6.559,50 1.798,51 1,52 24.617,53 0.179,54 10.426,55 10.426,56 0.764,57 4.42,58 4.42,59 20.393,60 292,61 1,62 4.826,63 58.836,65 4.056,66 7.371,67 7.371,68 5.697,69 42.683,70 9.398}
{0 CHEMBL433980,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.66,16 19.306,17 2,18 15.58,19 15.58,20 15.58,21 7,22 13.503,23 4,24 1.699,25 11.78,26 17.328,27 2,28 2.662,29 15.374,30 2,31 1,32 1,33 13.453,34 8.629,35 11.121,36 76.214,37 6.392,38 298,39 72,40 4.29,41 4.977,42 7.521,43 4.887,44 4.703,45 9.798,46 3.559,47 1,48 40.968,49 6.774,50 1.721,51 1,52 27.795,53 0.171,54 11.107,55 11.107,56 0.958,57 4.733,58 4.733,59 24.065,60 223,61 1,62 4.968,63 60.444,65 4.11,66 8.063,67 8.063,68 5.786,69 42.683,70 7.959}
{0 CHEMBL435259,13 5,14 34.925,16 18.431,17 1,18 11.839,19 11.839,20 11.839,21 7,22 13.205,24 1.669,25 11.143,26 16.601,28 2.717,29 14.787,33 12.995,34 8.019,35 10.471,36 76.985,37 6.319,38 277,39 68,40 4.234,41 4.92,42 7.428,43 4.699,44 4.545,45 9.19,46 3.44,48 31.704,49 6.447,50 1.822,51 7,52 22.145,53 0.173,54 9.929,55 9.929,56 1.193,57 4.29,58 4.29,59 19.072,60 288,62 4.718,63 55,64 4,65 4.023,66 6.958,67 6.958,68 5.523,70 8.602}
{0 CHEMBL435347,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.312,15 1,16 18.389,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.206,23 3,24 1.749,25 11.12,26 16.569,27 1,28 2.671,29 14.765,30 1,31 1,32 1,33 12.982,34 8.019,35 10.441,36 70.83,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.397,43 4.784,44 4.644,45 9.187,46 3.477,47 1,48 34.389,49 6.549,50 1.778,51 1,52 23.682,53 0.18,54 10.394,55 10.394,56 0.787,57 4.173,58 4.173,59 17.99,60 262,61 1,62 4.8,63 57.075,65 4.029,66 6.747,67 6.747,68 5.648,69 42.683,70 8.921}
{0 CHEMBL435472,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.302,15 1,16 18.373,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.193,23 3,24 1.649,25 11.1,26 16.553,27 1,28 2.628,29 14.749,30 1,31 1,32 1,33 12.965,34 8.001,35 10.425,36 69.405,37 6.263,38 262,39 65,40 4.19,41 4.875,42 7.381,43 4.777,44 4.63,45 9.173,46 3.478,47 1,48 34.249,49 6.549,50 1.778,51 1,52 23.637,53 0.182,54 10.394,55 10.394,56 0.822,57 4.173,58 4.173,59 17.99,60 266,61 1,62 4.791,63 56.62,65 4.021,66 6.747,67 6.747,68 5.635,69 42.683,70 9.523}
{0 CHEMBL435526,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.546,15 1,16 18.357,17 2,18 11.112,19 11.112,20 11.112,21 6,22 13.156,23 4,24 1.5,25 11.088,26 16.539,27 2,28 2.5,29 14.736,30 1,31 1,32 1,33 12.953,34 7.982,35 10.407,36 71.591,37 6.286,38 268,39 66,40 4.205,41 4.89,42 7.401,43 4.728,44 4.589,45 9.14,46 3.46,47 1,48 32.6,49 6.489,50 1.686,51 1,52 22.747,53 0.177,54 10.124,55 10.124,56 0.752,57 4.182,58 4.182,59 18.15,60 294,61 1,62 4.717,63 54.552,65 4.013,66 6.774,67 6.774,68 5.588,69 59.346,70 7.921}
{0 CHEMBL435538,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.289,15 1,16 18.352,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.141,23 3,24 1.649,25 11.075,26 16.528,27 1,28 2.628,29 14.719,30 1,31 1,32 1,33 12.932,34 7.964,35 10.396,36 67.583,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.349,43 4.75,44 4.601,45 9.136,46 3.476,47 1,48 33.634,49 6.549,50 1.778,51 1,52 23.333,53 0.183,54 10.394,55 10.394,56 0.828,57 4.173,58 4.173,59 17.99,60 238,61 1,62 4.765,63 54.859,65 3.994,66 6.747,67 6.747,68 5.612,69 42.683,70 9.072}
{0 CHEMBL435554,1 3,2 1,3 1,4 2,5 1,6 3,7 1,8 1,9 1,10 1,11 1,12 1,13 4,14 12.358,15 1,16 18.747,17 2,18 12.75,19 12.75,20 12.75,21 5,22 13.347,23 2,24 1.749,25 11.348,26 16.866,27 1,28 2.671,29 15.006,30 1,31 1,32 1,33 13.171,34 8.284,35 10.736,36 72.178,37 6.297,38 271,39 68,40 4.234,41 4.92,42 7.433,43 4.797,44 4.658,45 9.476,46 3.481,47 1,48 34.605,49 6.559,50 1.798,51 1,52 23.77,53 0.181,54 10.426,55 10.426,56 0.751,57 4.42,58 4.42,59 20.393,60 262,61 1,62 4.793,63 57.075,65 4.029,66 7.371,67 7.371,68 5.66,69 42.683,70 9.155}
{0 CHEMBL435709,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.551,16 18.312,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.029,23 4,24 1.5,25 11.031,26 16.48,27 2,28 2.5,29 14.665,30 2,31 1,32 1,33 12.872,34 7.892,35 10.339,36 67.799,37 6.229,38 253,39 62,40 4.143,41 4.828,42 7.334,43 4.709,44 4.549,45 9.051,46 3.481,48 32.538,49 6.517,50 1.576,51 1,52 22.634,53 0.179,54 10.25,55 10.25,56 1.02,57 4.179,58 4.179,59 18.137,60 229,61 1,62 4.731,63 53.609,65 3.993,66 6.774,67 6.774,68 5.552,69 42.683,70 9.097}
{0 CHEMBL435724,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 25.723,16 18.467,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.149,23 4,24 1.5,25 11.151,26 16.622,27 2,28 2.5,29 14.792,30 2,31 1,32 1,33 12.984,34 8.005,35 10.45,36 70.978,37 6.263,38 262,39 64,40 4.174,41 4.86,42 7.373,43 4.722,44 4.561,45 9.169,46 3.495,47 1,48 33.169,49 6.747,50 1.68,51 1,52 22.859,53 0.178,54 10.963,55 10.963,56 0.92,57 4.18,58 4.18,59 18.479,60 225,61 1,62 4.743,63 53.853,65 4.002,66 6.774,67 6.774,68 5.568,69 59.346,70 7.387}
{0 CHEMBL435727,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.448,15 1,16 18.374,17 2,18 11.093,19 11.093,20 11.093,21 5,22 13.15,23 4,24 1.66,25 11.1,26 16.549,27 1,28 2.633,29 14.739,30 1,31 1,32 1,33 12.95,34 7.989,35 10.413,36 68.801,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.366,43 4.795,44 4.644,45 9.151,46 3.487,47 1,48 35.186,49 6.549,50 1.789,51 1,52 24.366,53 0.181,54 10.394,55 10.394,56 0.825,57 4.179,58 4.179,59 18.117,60 250,61 1,62 4.816,63 56.62,65 4.021,66 6.772,67 6.772,68 5.653,69 42.683,70 9.046}
{0 CHEMBL435886,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.292,15 1,16 18.749,17 2,18 11.763,19 11.763,20 11.763,21 7,22 13.398,23 4,24 1.691,25 11.351,26 16.881,27 2,28 2.646,29 15.028,30 1,31 1,32 1,33 13.196,34 8.295,35 10.758,36 70.532,37 6.301,38 272,39 68,40 4.234,41 4.92,42 7.474,43 4.562,44 4.461,45 9.501,46 3.351,47 1,48 27.364,49 6.696,50 1.817,51 1,52 20.634,53 0.181,54 10.815,55 10.815,56 0.697,57 4.231,58 4.231,59 18.957,60 192,61 1,62 4.628,63 49.387,64 1,65 3.947,66 7.125,67 7.125,68 5.51,69 42.683,70 9.086}
{0 CHEMBL436245,13 4,16 18.55,17 1,18 13.111,19 13.111,20 13.111,21 7,22 12.939,24 1.311,25 11.193,26 16.653,28 2.332,29 14.776,33 12.927,34 8.107,35 10.569,36 61.182,37 6.125,38 228,39 56,40 4.043,41 4.727,42 7.245,43 4.617,44 4.416,45 9.257,46 3.32,48 30.57,49 6.788,50 1.5,51 3,52 21.158,53 0.188,54 11.201,55 11.201,56 1.254,57 4.45,58 4.45,59 20.594,60 208,62 4.644,63 50.455,65 3.925,66 7.302,67 7.302,68 5.447,70 7.161}
{0 CHEMBL436290,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.503,16 18.39,17 2,18 11.107,19 11.107,20 11.107,21 7,22 13.108,23 4,24 1.477,25 11.084,26 16.545,27 2,28 2.485,29 14.716,30 2,31 1,33 12.907,34 7.938,35 10.389,36 64.115,37 6.184,38 242,39 59,40 4.094,41 4.779,42 7.298,43 4.571,44 4.414,45 9.102,46 3.281,47 1,48 28.642,49 6.706,50 1.5,51 5,52 19.369,53 0.185,54 10.887,55 10.887,56 0.896,57 4.179,58 4.179,59 18.235,60 184,61 1,62 4.62,63 48.881,64 2,65 3.902,66 6.774,67 6.774,68 5.454,69 42.683,70 8.553}
{0 CHEMBL437302,12 1,13 1,14 26.961,16 18.223,18 10.395,19 10.395,20 10.395,21 6,22 13.362,24 1.811,25 10.987,26 16.434,28 2.79,29 14.659,33 12.903,34 7.901,35 10.316,36 84.025,37 6.378,38 294,39 73,40 4.304,41 4.99,42 7.467,43 4.858,44 4.713,45 9.051,46 3.552,47 1,48 35.648,49 6.218,50 1.849,52 25.523,53 0.165,54 9.301,55 9.301,56 1.071,57 4.081,58 4.081,59 17.337,60 480,62 4.89,63 68.523,64 1,65 4.198,66 6.55,67 6.55,68 5.638,69 18.011,70 8.423}
{0 CHEMBL437494,13 2,14 25.297,15 1,16 17.958,17 1,18 10.487,19 10.487,20 10.487,21 4,22 12.935,24 1.162,25 10.693,26 16.177,28 2.257,29 14.409,33 12.66,34 7.653,35 10.056,36 63.95,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.206,43 4.44,44 4.297,45 8.813,46 3.29,48 22.224,49 5.977,50 1.494,51 6,52 17.404,53 0.195,54 8.389,55 8.389,56 1.023,57 4.063,58 4.063,59 17.658,60 235,62 4.498,63 48.171,64 2,65 3.859,66 6.619,67 6.619,68 5.265,70 8.758}
{0 CHEMBL438898,1 1,5 1,6 1,7 1,8 1,9 3,11 1,13 14,14 224.588,16 19.146,18 10.879,19 10.879,20 10.879,21 8,22 14.182,24 2.979,25 11.89,26 17.368,28 3.804,29 15.603,31 1,32 1,33 13.858,34 8.839,35 11.241,36 227.957,37 7.336,38 767,39 195,40 5.278,41 5.969,42 8.426,43 6.241,44 6.169,45 10.011,46 3.686,48 128.895,49 6.252,50 3.039,52 87.894,53 0.103,54 9.405,55 9.405,56 1.305,57 4.127,58 4.127,59 18.267,60 1679,61 15,62 6.126,63 175.78,64 1,65 5.113,66 6.733,67 6.733,68 7.129,69 822.75,70 9.745}
{0 CHEMBL439223,16 17.029,18 9.175,19 9.175,20 9.175,21 3,22 12.552,24 -0.129,25 9.907,26 15.305,28 1.175,29 13.596,33 11.906,34 6.88,35 9.304,36 39.783,37 5.631,38 139,39 35,40 3.584,41 4.263,42 6.727,43 3.755,44 3.634,45 8.005,46 2.814,48 9.255,49 5.412,50 0.187,51 2,52 7.308,53 0.233,54 7.152,55 7.152,56 1.485,57 3.86,58 3.86,59 15.475,60 102,61 1,62 3.767,63 30.779,65 3.419,66 6.172,67 6.172,68 4.402,69 35.899,70 5.699}
{0 CHEMBL440137,13 2,14 37.902,16 18.676,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.262,24 1,25 11.07,26 16.732,28 2,29 14.811,33 12.919,34 8.019,35 10.491,36 53.654,37 5.953,38 192,39 48,40 3.892,41 4.575,42 7.084,43 4.408,44 4.238,45 9.21,46 3.241,48 23.596,49 6.328,50 1.274,51 4,52 17.328,53 0.21,54 9.368,55 9.368,56 1.495,57 4.421,58 4.421,59 21.324,60 172,62 4.433,63 43.665,64 6,65 3.743,66 7.641,67 7.641,68 5.252,70 6.824}
{0 CHEMBL440465,13 1,14 26.134,16 18.966,17 1,18 14.081,19 14.081,20 14.081,21 7,22 13.394,24 1.871,25 11.5,26 17.037,28 2.797,29 15.129,33 13.249,34 8.393,35 10.829,36 72.309,37 6.29,38 269,39 66,40 4.205,41 4.89,42 7.428,43 4.644,44 4.479,45 9.535,46 3.354,48 28.906,49 6.908,50 1.913,51 4,52 21.121,53 0.179,54 11.591,55 11.591,56 1.025,57 4.513,58 4.513,59 21.663,60 219,62 4.698,63 52.591,64 2,65 3.977,66 7.656,67 7.656,68 5.433,69 18.011,70 5.8}
{0 CHEMBL440554,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.305,15 1,16 18.566,17 2,18 10.988,19 10.988,20 10.988,21 5,22 13.343,23 3,24 1.778,25 11.277,26 16.739,27 1,28 2.723,29 14.926,30 1,31 1,32 1,33 13.132,34 8.255,35 10.671,36 75.3,37 6.347,38 285,39 72,40 4.29,41 4.977,42 7.482,43 4.78,44 4.656,45 9.435,46 3.477,47 1,48 33.897,49 6.549,50 2.06,51 1,52 24.07,53 0.176,54 10.394,55 10.394,56 0.585,57 4.173,58 4.173,59 17.99,60 300,61 1,62 4.789,63 56.887,65 4.049,66 6.747,67 6.747,68 5.669,69 42.683,70 8.959}
{0 CHEMBL441635,13 3,16 17.717,17 2,18 10.445,19 10.445,20 10.445,21 5,22 12.657,24 1.444,25 10.517,26 15.929,28 2.454,29 14.159,33 12.411,34 7.402,35 9.867,36 52.958,37 5.969,38 195,39 48,40 3.892,41 4.575,42 7.066,43 4.399,44 4.2,45 8.553,46 3.211,48 24.796,49 6.143,50 1.5,51 1,52 17.278,53 0.198,54 9.054,55 9.054,56 1.008,57 4.087,58 4.087,59 17.297,60 154,62 4.438,63 44.955,65 3.807,66 6.558,67 6.558,68 5.192,70 6.699}
{0 CHEMBL442619,1 2,2 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 4,14 12.697,16 19.183,17 2,18 13.986,19 13.986,20 13.986,21 9,22 13.607,23 6,24 1.914,25 11.724,26 17.253,27 2,28 2.846,29 15.341,30 2,31 1,32 1,33 13.454,34 8.6,35 11.031,36 77.428,37 6.412,38 304,39 74,40 4.317,41 5.004,42 7.556,43 4.834,44 4.646,45 9.742,46 3.358,47 1,48 39.987,49 6.964,50 1.982,51 4,52 27.402,53 0.172,54 11.727,55 11.727,56 0.705,57 4.5,58 4.5,59 21.402,60 233,61 1,62 4.932,63 58.921,64 1,65 4.091,66 7.642,67 7.642,68 5.733,69 42.683,70 8.301}
{0 CHEMBL442933,12 1,13 4,14 13.193,16 19.031,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.419,24 1.5,25 11.566,26 17.1,28 2.532,29 15.189,33 13.304,34 8.453,35 10.895,36 69.64,37 6.301,38 272,39 66,40 4.205,41 4.89,42 7.434,43 4.704,44 4.505,45 9.602,46 3.353,47 1,48 34.621,49 6.923,50 1.764,51 4,52 23.576,53 0.179,54 11.656,55 11.656,56 1.325,57 4.498,58 4.498,59 21.388,60 180,62 4.791,63 53.705,64 2,65 4.001,66 7.642,67 7.642,68 5.594,70 7.7}
{0 CHEMBL443106,1 2,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 4,14 12.621,16 19.157,17 2,18 13.986,19 13.986,20 13.986,21 11,22 13.613,23 3,24 1.914,25 11.711,26 17.234,27 1,28 2.858,29 15.331,30 2,31 1,32 1,33 13.452,34 8.595,35 11.03,36 81.299,37 6.454,38 317,39 77,40 4.357,41 5.043,42 7.592,43 4.821,44 4.659,45 9.741,46 3.366,47 1,48 37.122,49 6.923,50 1.99,51 4,52 26.148,53 0.167,54 11.656,55 11.656,56 0.648,57 4.499,58 4.499,59 21.391,60 244,61 1,62 4.88,63 57.307,64 2,65 4.088,66 7.642,67 7.642,68 5.709,69 42.683,70 8.155}
{0 CHEMBL443730,12 1,13 4,16 18.993,17 2,18 13.985,19 13.985,20 13.985,21 8,22 13.438,24 1.733,25 11.534,26 17.062,28 2.73,29 15.151,33 13.266,34 8.427,35 10.86,36 73.225,37 6.279,38 266,39 65,40 4.19,41 4.875,42 7.413,43 4.729,44 4.516,45 9.566,46 3.353,47 1,48 35.427,49 6.923,50 1.879,51 4,52 24.961,53 0.181,54 11.656,55 11.656,56 0.884,57 4.498,58 4.498,59 21.383,60 189,62 4.833,63 54.387,64 3,65 3.99,66 7.642,67 7.642,68 5.596,70 7.886}
{0 CHEMBL443936,1 2,2 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 4,14 12.393,16 19.09,17 2,18 13.986,19 13.986,20 13.986,21 9,22 13.5,23 4,24 1.879,25 11.631,26 17.159,27 2,28 2.826,29 15.247,30 2,31 1,32 1,33 13.361,34 8.512,35 10.946,36 74.049,37 6.358,38 288,39 70,40 4.263,41 4.949,42 7.496,43 4.766,44 4.585,45 9.649,46 3.358,47 1,48 36.448,49 6.923,50 1.914,51 4,52 25.126,53 0.174,54 11.656,55 11.656,56 0.72,57 4.499,58 4.499,59 21.39,60 211,61 1,62 4.842,63 55.398,64 1,65 4.039,66 7.642,67 7.642,68 5.641,69 42.683,70 8.097}
{0 CHEMBL444255,13 1,14 40.125,16 19.532,17 1,18 14.062,19 14.062,20 14.062,21 5,22 13.743,24 1.5,25 11.906,26 17.545,28 2.5,29 15.571,33 13.618,34 8.841,35 11.285,36 69.988,37 6.297,38 271,39 67,40 4.22,41 4.905,42 7.473,43 4.732,44 4.548,45 9.988,46 3.47,48 34.773,49 7.615,50 1.584,51 4,52 23.89,53 0.185,54 13.56,55 13.56,56 1.03,57 4.552,58 4.552,59 22.098,60 202,62 4.792,63 55.273,64 5,65 3.993,66 7.699,67 7.699,68 5.672,70 7.745}
{0 CHEMBL444497,12 1,13 4,14 12.974,15 1,16 19.109,17 2,18 13.986,19 13.986,20 13.986,21 9,22 13.545,24 1.879,25 11.656,26 17.182,28 2.826,29 15.274,33 13.393,34 8.543,35 10.972,36 77.653,37 6.399,38 300,39 73,40 4.304,41 4.99,42 7.537,43 4.817,44 4.645,45 9.68,46 3.362,47 1,48 38.72,49 6.923,50 1.914,51 4,52 27.133,53 0.171,54 11.656,55 11.656,56 0.745,57 4.499,58 4.499,59 21.391,60 242,62 4.915,63 57.097,64 2,65 4.068,66 7.642,67 7.642,68 5.727,70 9.046}
{0 CHEMBL444667,11 1,13 3,14 27.307,16 19.269,17 1,18 14.304,19 14.304,20 14.304,21 5,22 13.389,24 1.28,25 11.721,26 17.306,28 2.402,29 15.362,33 13.442,34 8.648,35 11.068,36 69.911,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.445,43 4.816,44 4.616,45 9.779,46 3.359,48 38.842,49 7.468,50 1.467,51 4,52 25.826,53 0.184,54 13.179,55 13.179,56 0.994,57 4.566,58 4.566,59 22.411,60 235,62 4.839,63 57.666,64 3,65 4.023,66 7.717,67 7.717,68 5.77,69 42.683,70 7.119}
{0 CHEMBL444915,12 1,14 26.502,16 19.463,17 1,18 15.412,19 15.412,20 15.412,21 6,22 13.566,24 1.5,25 11.872,26 17.464,28 2.5,29 15.486,33 13.538,34 8.747,35 11.203,36 72.803,37 6.323,38 278,39 68,40 4.234,41 4.92,42 7.467,43 4.54,44 4.391,45 9.89,46 3.415,48 25.701,49 7.661,50 1.626,51 4,52 18.992,53 0.18,54 14.099,55 14.099,56 1.104,57 4.654,58 4.654,59 23.757,60 199,62 4.637,63 52.046,64 3,65 3.963,66 8.031,67 8.031,68 5.364,70 5.15}
{0 CHEMBL444938,12 1,13 3,14 12.817,16 19.088,17 1,18 13.996,19 13.996,20 13.996,21 8,22 13.522,24 1.689,25 11.631,26 17.163,28 2.657,29 15.257,33 13.375,34 8.583,35 11.011,36 70.77,37 6.301,38 272,39 68,40 4.234,41 4.92,42 7.462,43 4.693,44 4.5,45 9.741,46 3.353,47 1,48 35.158,49 6.923,50 1.879,51 4,52 24.224,53 0.183,54 11.656,55 11.656,56 0.922,57 4.501,58 4.501,59 21.461,60 189,62 4.821,63 54.018,64 4,65 3.987,66 7.644,67 7.644,68 5.633,70 8.3}
{0 CHEMBL445003,12 1,13 3,14 12.895,16 19.076,17 1,18 13.985,19 13.985,20 13.985,21 8,22 13.483,24 1.534,25 11.613,26 17.148,28 2.57,29 15.238,33 13.352,34 8.563,35 10.993,36 68.695,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.433,43 4.689,44 4.484,45 9.718,46 3.354,47 1,48 35.124,49 6.923,50 1.798,51 4,52 23.392,53 0.184,54 11.656,55 11.656,56 0.992,57 4.498,58 4.498,59 21.383,60 180,62 4.808,63 53.711,64 2,65 3.977,66 7.642,67 7.642,68 5.642,69 18.011,70 8.155}
{0 CHEMBL445772,12 1,13 3,14 13.225,16 19.043,17 1,18 13.996,19 13.996,20 13.996,21 9,22 13.513,24 1.879,25 11.586,26 17.116,28 2.821,29 15.209,33 13.329,34 8.475,35 10.915,36 73.029,37 6.34,38 283,39 69,40 4.248,41 4.934,42 7.482,43 4.718,44 4.53,45 9.622,46 3.354,47 1,48 34.65,49 6.923,50 1.901,51 4,52 24.307,53 0.176,54 11.656,55 11.656,56 1.05,57 4.502,58 4.502,59 21.465,60 216,62 4.807,63 54.04,64 2,65 4.015,66 7.644,67 7.644,68 5.571,70 8.28}
{0 CHEMBL445836,13 2,14 39.502,16 18.731,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.373,24 1.5,25 11.169,26 16.796,28 2.5,29 14.885,33 13.007,34 8.1,35 10.573,36 64.715,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.266,43 4.744,44 4.557,45 9.278,46 3.451,48 33.731,49 6.455,50 1.5,51 4,52 24.409,53 0.187,54 9.965,55 9.965,56 1.539,57 4.421,58 4.421,59 21.324,60 218,62 4.763,63 53.501,64 4,65 3.953,66 7.641,67 7.641,68 5.569,69 18.011,70 8.398}
{0 CHEMBL445925,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.513,16 18.39,17 2,18 11.107,19 11.107,20 11.107,21 7,22 13.108,23 4,24 1.477,25 11.084,26 16.545,27 2,28 2.485,29 14.716,30 2,31 1,32 1,33 12.907,34 7.938,35 10.389,36 64.11,37 6.184,38 242,39 59,40 4.094,41 4.779,42 7.298,43 4.6,44 4.435,45 9.102,46 3.293,47 1,48 29.611,49 6.706,50 1.5,51 1,52 20.451,53 0.185,54 10.887,55 10.887,56 0.874,57 4.179,58 4.179,59 18.235,60 184,61 1,62 4.649,63 50.393,65 3.935,66 6.774,67 6.774,68 5.456,69 59.469,70 8}
{0 CHEMBL446187,13 2,14 61.019,16 19.094,17 1,18 11.709,19 11.709,20 11.709,21 4,22 13.858,24 1.604,25 11.541,26 17.184,28 2.573,29 15.287,33 13.41,34 8.598,35 11.047,36 78.019,37 6.312,38 275,39 71,40 4.277,41 4.963,42 7.486,43 4.89,44 4.703,45 9.803,46 3.577,48 38.949,49 7.111,50 2.004,51 4,52 28.737,53 0.182,54 11.659,55 11.659,56 0.821,57 4.327,58 4.327,59 18.84,60 275,62 4.858,63 61.091,64 3,65 4.095,66 7.119,67 7.119,68 5.702,70 6.301}
{0 CHEMBL446241,12 1,13 3,14 13.166,16 19.031,17 1,18 13.983,19 13.983,20 13.983,21 9,22 13.476,24 1.746,25 11.568,26 17.101,28 2.684,29 15.191,33 13.307,34 8.453,35 10.896,36 72.401,37 6.33,38 280,39 68,40 4.234,41 4.92,42 7.465,43 4.697,44 4.532,45 9.597,46 3.372,47 1,48 30.959,49 6.923,50 1.879,51 4,52 21.645,53 0.175,54 11.656,55 11.656,56 1.205,57 4.496,58 4.496,59 21.379,60 217,62 4.713,63 54.944,64 2,65 4.027,66 7.641,67 7.641,68 5.463,70 5.9}
{0 CHEMBL447808,13 3,14 27.412,16 19.28,17 2,18 14.304,19 14.304,20 14.304,21 5,22 13.413,24 1.466,25 11.74,26 17.321,28 2.493,29 15.381,33 13.467,34 8.67,35 11.087,36 74.563,37 6.337,38 282,39 70,40 4.263,41 4.949,42 7.496,43 4.844,44 4.654,45 9.8,46 3.377,48 39.558,49 7.468,50 1.753,51 4,52 26.014,53 0.179,54 13.179,55 13.179,56 0.668,57 4.566,58 4.566,59 22.411,60 288,62 4.858,63 59.853,64 3,65 4.062,66 7.717,67 7.717,68 5.8,70 7.155}
{0 CHEMBL448199,14 39.648,16 19.666,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.819,24 1.603,25 12.013,26 17.652,28 2.619,29 15.655,33 13.682,34 8.915,35 11.366,36 75.607,37 6.361,38 289,39 71,40 4.277,41 4.963,42 7.526,43 4.569,44 4.42,45 10.049,46 3.411,48 26.18,49 7.681,50 1.88,51 8,52 20.931,53 0.177,54 14.012,55 14.012,56 1.355,57 4.62,58 4.62,59 23.389,60 237,62 4.641,63 54.148,64 3,65 4.009,66 7.992,67 7.992,68 5.39,69 18.011,70 5.62}
{0 CHEMBL448610,13 1,14 40.254,16 19.532,17 1,18 14.062,19 14.062,20 14.062,21 5,22 13.743,24 1.5,25 11.906,26 17.545,28 2.5,29 15.571,33 13.618,34 8.841,35 11.285,36 69.988,37 6.297,38 271,39 67,40 4.22,41 4.905,42 7.473,43 4.762,44 4.569,45 9.988,46 3.48,48 36.124,49 7.615,50 1.584,51 4,52 25.296,53 0.185,54 13.56,55 13.56,56 1.122,57 4.553,58 4.553,59 22.098,60 202,62 4.813,63 56.029,64 5,65 4.007,66 7.699,67 7.699,68 5.683,70 7.721}
{0 CHEMBL449045,16 16.806,18 9.041,19 9.041,20 9.041,21 2,22 12.346,24 -1.147,25 9.65,26 15.074,28 0.599,29 13.36,33 11.666,34 6.653,35 9.049,36 32.013,37 5.398,38 110,39 28,40 3.367,41 4.043,42 6.488,43 3.358,44 3.223,45 7.769,46 2.715,48 7.393,49 5.41,50 -0.794,52 5.361,53 0.263,54 7.146,55 7.146,56 1.338,57 3.82,58 3.82,59 15.145,60 73,61 2,62 3.474,63 24.904,65 3.212,66 6.139,67 6.139,68 4.204,69 82.457,70 4.523}
{0 CHEMBL449125,14 26.365,16 19.405,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.517,24 1.5,25 11.817,26 17.404,28 2.5,29 15.425,33 13.477,34 8.697,35 11.151,36 72.07,37 6.304,38 273,39 67,40 4.22,41 4.905,42 7.449,43 4.578,44 4.416,45 9.831,46 3.398,48 27.176,49 7.677,50 1.881,51 4,52 19.732,53 0.179,54 14.198,55 14.198,56 1.06,57 4.62,58 4.62,59 23.389,60 213,62 4.634,63 52.591,64 1,65 3.977,66 7.992,67 7.992,68 5.371,69 18.011,70 5.99}
{0 CHEMBL449278,11 1,13 9,14 40.182,16 20.123,18 17.874,19 17.874,20 17.874,21 8,22 13.832,24 1.5,25 12.442,26 18.058,28 2.5,29 16.011,33 13.989,34 9.235,35 11.783,36 71.054,37 6.365,38 290,39 70,40 4.263,41 4.949,42 7.552,43 4.778,44 4.653,45 10.431,46 3.368,48 35.211,49 7.92,50 1.619,52 25.661,53 0.191,54 14.83,55 14.83,56 1.135,57 4.986,58 4.986,59 27.218,60 174,61 2,62 4.91,63 47.892,64 1,65 3.917,66 8.596,67 8.596,68 5.778,69 60.694,70 4.222}
{0 CHEMBL449621,13 3,14 27.466,16 19.275,17 1,18 14.304,19 14.304,20 14.304,21 5,22 13.398,24 1.28,25 11.731,26 17.314,28 2.402,29 15.371,33 13.454,34 8.658,35 11.077,36 72.584,37 6.315,38 276,39 68,40 4.234,41 4.92,42 7.471,43 4.857,44 4.659,45 9.786,46 3.373,48 40.29,49 7.468,50 1.472,51 4,52 26.704,53 0.18,54 13.179,55 13.179,56 1.017,57 4.566,58 4.566,59 22.411,60 297,62 4.886,63 61.188,64 3,65 4.073,66 7.717,67 7.717,68 5.814,70 7.523}
{0 CHEMBL449758,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.363,16 18.263,17 2,18 10.689,19 10.689,20 10.689,21 6,22 13.093,23 4,24 1.5,25 11.018,26 16.453,27 2,28 2.5,29 14.657,30 2,31 1,32 1,33 12.882,34 7.897,35 10.359,36 68.761,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.396,43 4.761,44 4.594,45 9.08,46 3.517,48 34.836,49 6.549,50 1.728,51 1,52 24.137,53 0.178,54 10.394,55 10.394,56 1.163,57 4.142,58 4.142,59 17.626,60 238,61 1,62 4.793,63 55.37,64 1,65 4.02,66 6.632,67 6.632,68 5.613,69 42.683,70 9.051}
{0 CHEMBL450639,13 1,14 40.125,16 19.54,17 1,18 14.063,19 14.063,20 14.063,21 5,22 13.773,24 1.293,25 11.919,26 17.555,28 2.4,29 15.584,33 13.635,34 8.857,35 11.3,36 70.481,37 6.308,38 274,39 68,40 4.234,41 4.92,42 7.483,43 4.733,44 4.548,45 10.011,46 3.44,47 1,48 34.905,49 7.616,50 1.615,51 4,52 23.41,53 0.186,54 13.573,55 13.573,56 0.954,57 4.553,58 4.553,59 22.144,60 202,62 4.783,63 55.279,64 6,65 3.985,66 7.7,67 7.7,68 5.696,70 7.569}
{0 CHEMBL451400,13 1,14 27.2,15 1,16 19.269,17 1,18 14.304,19 14.304,20 14.304,21 5,22 13.462,24 1.478,25 11.721,26 17.306,28 2.5,29 15.362,33 13.442,34 8.648,35 11.068,36 70.349,37 6.282,38 267,39 66,40 4.205,41 4.89,42 7.445,43 4.734,44 4.553,45 9.779,46 3.353,48 35.638,49 7.468,50 1.5,51 4,52 24.193,53 0.184,54 13.179,55 13.179,56 0.882,57 4.566,58 4.566,59 22.411,60 235,62 4.775,63 54.864,64 3,65 3.99,66 7.717,67 7.717,68 5.663,70 7.721}
{0 CHEMBL452864,13 2,16 17.4,17 1,18 10.284,19 10.284,20 10.284,21 5,22 12.38,24 0.181,25 10.205,26 15.616,28 1.365,29 13.85,33 12.109,34 7.096,35 9.59,36 45.554,37 5.707,38 150,39 37,40 3.638,41 4.317,42 6.786,43 4.316,44 4.102,45 8.285,46 2.929,48 21.46,49 5.672,50 0.766,52 15.554,53 0.225,54 7.981,55 7.981,56 1.261,57 3.97,58 3.97,59 16.944,60 81,62 4.186,63 36.216,64 1,65 3.567,66 6.533,67 6.533,68 5.099,69 18.011,70 5.523}
{0 CHEMBL452913,1 2,2 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 2,13 4,14 12.366,16 19.103,17 2,18 13.986,19 13.986,20 13.986,21 9,22 13.538,23 3,24 1.879,25 11.648,26 17.174,27 2,28 2.826,29 15.266,30 2,32 1,33 13.383,34 8.534,35 10.968,36 74.626,37 6.368,38 291,39 71,40 4.277,41 4.963,42 7.506,43 4.765,44 4.574,45 9.681,46 3.355,47 1,48 35.488,49 6.923,50 1.914,51 4,52 26.054,53 0.175,54 11.656,55 11.656,56 0.624,57 4.499,58 4.499,59 21.391,60 211,61 1,62 4.831,63 55.143,64 1,65 4.033,66 7.642,67 7.642,68 5.601,69 42.683,70 7.638}
{0 CHEMBL453404,12 1,13 3,14 12.818,16 19.121,17 1,18 13.996,19 13.996,20 13.996,21 8,22 13.574,24 1.879,25 11.663,26 17.2,28 2.819,29 15.298,33 13.419,34 8.616,35 11.045,36 74.453,37 6.344,38 284,39 71,40 4.277,41 4.963,42 7.505,43 4.72,44 4.552,45 9.779,46 3.371,47 1,48 32.625,49 6.923,50 1.919,51 4,52 23.348,53 0.18,54 11.656,55 11.656,56 0.884,57 4.501,58 4.501,59 21.47,60 211,62 4.796,63 56.637,64 4,65 4.03,66 7.644,67 7.644,68 5.547,70 4.7}
{0 CHEMBL454251,12 1,13 3,14 13.045,16 19.216,17 1,18 13.997,19 13.997,20 13.997,21 8,22 13.561,24 1.66,25 11.697,26 17.273,28 2.614,29 15.348,33 13.445,34 8.63,35 11.081,36 69.422,37 6.293,38 270,39 67,40 4.22,41 4.905,42 7.458,43 4.711,44 4.522,45 9.803,46 3.351,47 1,48 33.442,49 7.181,50 1.879,51 4,52 23.17,53 0.185,54 11.841,55 11.841,56 1.327,57 4.506,58 4.506,59 21.54,60 179,62 4.78,63 53.563,64 2,65 3.979,66 7.644,67 7.644,68 5.551,70 9}
{0 CHEMBL454253,13 2,14 40.454,16 19.532,17 1,18 14.062,19 14.062,20 14.062,21 5,22 13.694,24 1.269,25 11.906,26 17.545,28 2.29,29 15.571,33 13.618,34 8.841,35 11.285,36 70.332,37 6.297,38 271,39 67,40 4.22,41 4.905,42 7.473,43 4.797,44 4.599,45 9.988,46 3.391,48 37.67,49 7.615,50 1.299,51 8,52 25.865,53 0.185,54 13.56,55 13.56,56 1.086,57 4.553,58 4.553,59 22.098,60 202,62 4.844,63 57.006,64 5,65 4.016,66 7.699,67 7.699,68 5.757,70 7.658}
{0 CHEMBL454493,13 2,14 52.719,16 19.561,17 1,18 14.062,19 14.062,20 14.062,21 5,22 13.75,24 1.302,25 11.942,26 17.58,28 2.402,29 15.614,33 13.67,34 8.885,35 11.322,36 75.677,37 6.365,38 290,39 72,40 4.29,41 4.977,42 7.542,43 4.866,44 4.68,45 10.034,46 3.481,48 39.634,49 7.616,50 1.707,51 8,52 26.96,53 0.18,54 13.561,55 13.561,56 1.154,57 4.553,58 4.553,59 22.102,60 256,62 4.898,63 60.773,64 6,65 4.074,66 7.699,67 7.699,68 5.82,70 7.108}
{0 CHEMBL454841,14 25.97,16 19.188,17 1,18 14.081,19 14.081,20 14.081,21 5,22 13.431,24 1.5,25 11.629,26 17.216,28 2.5,29 15.265,33 13.342,34 8.571,35 10.979,36 69.679,37 6.248,38 258,39 64,40 4.174,41 4.86,42 7.398,43 4.673,44 4.501,45 9.681,46 3.378,48 30.611,49 7.597,50 1.758,51 4,52 22.138,53 0.183,54 13.732,55 13.732,56 1.168,57 4.513,58 4.513,59 21.663,60 230,61 1,62 4.75,63 53.353,64 1,65 3.975,66 7.656,67 7.656,68 5.489,69 50.908,70 4.5}
{0 CHEMBL455073,1 3,2 1,3 1,4 3,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.452,15 1,16 18.592,17 2,18 12.407,19 12.407,20 12.407,21 5,22 13.085,23 4,24 1.5,25 11.163,26 16.711,27 3,28 2.5,29 14.85,30 2,31 1,32 1,33 13.016,34 8.129,35 10.577,36 68.157,37 6.221,38 251,39 63,40 4.159,41 4.844,42 7.349,43 4.739,44 4.569,45 9.305,46 3.383,48 34.614,49 6.632,50 1.5,51 3,52 24.235,53 0.182,54 10.689,55 10.689,56 0.886,57 4.282,58 4.282,59 19.573,60 263,61 1,62 4.752,63 54.245,65 4.002,66 7.293,67 7.293,68 5.621,69 42.683,70 9.523}
{0 CHEMBL455570,13 6,14 13.088,16 18.524,17 1,18 10.95,19 10.95,20 10.95,21 6,22 13.15,24 1.33,25 11.184,26 16.68,28 2.362,29 14.849,33 13.033,34 8.165,35 10.595,36 63.565,37 6.172,38 239,39 60,40 4.111,41 4.796,42 7.313,43 4.64,44 4.471,45 9.352,46 3.293,47 1,48 30.578,49 6.715,50 1.5,51 10,52 20.743,53 0.192,54 10.9,55 10.9,56 1.176,57 4.166,58 4.166,59 18.028,60 170,62 4.675,63 48.825,64 2,65 3.89,66 6.719,67 6.719,68 5.528,69 18.011,70 8.854}
{0 CHEMBL456019,13 5,14 26.123,16 18.179,17 1,18 10.633,19 10.633,20 10.633,21 6,22 12.946,24 1.5,25 10.91,26 16.372,28 2.5,29 14.579,33 12.804,34 7.818,35 10.258,36 63.703,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.306,43 4.711,44 4.531,45 8.992,46 3.358,48 33.999,49 6.365,50 1.5,51 6,52 23.373,53 0.188,54 9.629,55 9.629,56 1.137,57 4.125,58 4.125,59 17.537,60 230,62 4.718,63 51.609,64 1,65 3.935,66 6.623,67 6.623,68 5.586,69 18.011,70 7.854}
{0 CHEMBL456224,13 4,14 26.016,16 18.074,17 1,18 9.972,19 9.972,20 9.972,21 4,22 12.885,24 1.212,25 10.788,26 16.274,28 2.27,29 14.484,33 12.711,34 7.711,35 10.128,36 60.119,37 6.084,38 219,39 54,40 4.007,41 4.691,42 7.232,43 4.684,44 4.5,45 8.87,46 3.318,48 32.149,49 6.255,50 1.5,51 6,52 22.32,53 0.194,54 9.435,55 9.435,56 1.289,57 3.992,58 3.992,59 16.774,60 168,62 4.673,63 50.609,64 1,65 3.896,66 6.461,67 6.461,68 5.543,69 18.011,70 7.747}
{0 CHEMBL456226,13 4,14 25.841,16 18.505,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.104,24 1.5,25 11.073,26 16.645,28 2.5,29 14.802,33 12.978,34 8.072,35 10.515,36 63.353,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.322,43 4.641,44 4.468,45 9.267,46 3.337,48 31.332,49 6.451,50 1.5,51 6,52 21.523,53 0.191,54 9.929,55 9.929,56 0.958,57 4.172,58 4.172,59 18.546,60 202,62 4.657,63 49.967,64 1,65 3.91,66 7.111,67 7.111,68 5.528,69 18.011,70 9.319}
{0 CHEMBL456425,13 4,14 26.476,16 18.844,17 1,18 13.731,19 13.731,20 13.731,21 4,22 13.132,24 1.397,25 11.28,26 16.906,28 2.432,29 14.989,33 13.101,34 8.191,35 10.671,36 61.017,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.287,43 4.678,44 4.468,45 9.386,46 3.396,48 33.769,49 6.355,50 1.5,51 6,52 22.906,53 0.195,54 9.507,55 9.507,56 1.675,57 4.538,58 4.538,59 22.073,60 170,62 4.764,63 51.915,64 1,65 3.918,66 7.701,67 7.701,68 5.593,69 18.011,70 4.602}
{0 CHEMBL457043,13 4,14 49.416,16 18.505,17 1,18 11.657,19 11.657,20 11.657,21 4,22 13.357,24 1.5,25 11.073,26 16.645,28 2.5,29 14.802,33 12.978,34 8.072,35 10.515,36 65.816,37 6.151,38 234,39 59,40 4.094,41 4.779,42 7.322,43 4.682,44 4.494,45 9.267,46 3.462,48 32.625,49 6.451,50 1.5,51 6,52 22.929,53 0.191,54 9.929,55 9.929,56 1.108,57 4.18,58 4.18,59 18.546,60 202,62 4.69,63 52.711,64 2,65 3.948,66 7.111,67 7.111,68 5.554,69 18.011,70 10.155}
{0 CHEMBL457044,13 4,14 25.85,16 17.969,17 1,18 9.931,19 9.931,20 9.931,21 4,22 12.837,24 1.21,25 10.71,26 16.18,28 2.268,29 14.403,33 12.643,34 7.636,35 10.061,36 58.81,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.209,43 4.654,44 4.454,45 8.805,46 3.32,48 31.58,49 6.254,50 1.5,51 6,52 22.3,53 0.196,54 9.433,55 9.433,56 1.192,57 3.979,58 3.979,59 16.685,60 170,62 4.651,63 49.251,64 1,65 3.872,66 6.451,67 6.451,68 5.491,69 18.011,70 8.812}
{0 CHEMBL457960,13 4,14 25.939,16 18.077,17 1,18 9.959,19 9.959,20 9.959,21 4,22 12.937,24 1.22,25 10.797,26 16.283,28 2.273,29 14.5,33 12.733,34 7.727,35 10.149,36 60.88,37 6.094,38 221,39 55,40 4.025,41 4.71,42 7.249,43 4.674,44 4.474,45 8.903,46 3.321,48 31.955,49 6.255,50 1.5,51 6,52 23.004,53 0.195,54 9.434,55 9.434,56 1.151,57 3.988,58 3.988,59 16.759,60 193,62 4.677,63 50.108,64 1,65 3.889,66 6.459,67 6.459,68 5.498,69 18.011,70 8.633}
{0 CHEMBL458157,13 4,14 25.872,16 17.964,17 1,18 9.93,19 9.93,20 9.93,21 4,22 12.835,24 1.217,25 10.702,26 16.176,28 2.272,29 14.4,33 12.641,34 7.636,35 10.056,36 58.641,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.209,43 4.643,44 4.449,45 8.8,46 3.332,48 31.363,49 6.254,50 1.5,51 6,52 21.557,53 0.196,54 9.433,55 9.433,56 1.297,57 3.979,58 3.979,59 16.679,60 198,62 4.66,63 50.154,64 1,65 3.887,66 6.451,67 6.451,68 5.513,69 18.011,70 8.425}
{0 CHEMBL458351,13 4,14 13.292,16 18.555,17 2,18 12.158,19 12.158,20 12.158,21 7,22 13.154,24 1.5,25 11.22,26 16.691,28 2.5,29 14.843,33 13.017,34 8.054,35 10.496,36 64.638,37 6.205,38 247,39 60,40 4.111,41 4.796,42 7.334,43 4.361,44 4.152,45 9.21,46 3.123,48 26.878,49 6.786,50 1.562,51 4,52 18.203,53 0.186,54 10.981,55 10.981,56 1.16,57 4.272,58 4.272,59 19.51,60 165,62 4.681,63 49.421,64 1,65 3.913,66 7.047,67 7.047,68 5.35,70 6.504}
{0 CHEMBL459378,13 4,14 25.975,16 18.153,17 1,18 10.445,19 10.445,20 10.445,21 4,22 12.968,24 1.124,25 10.844,26 16.347,28 2.228,29 14.552,33 12.773,34 7.763,35 10.191,36 60.104,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.239,43 4.602,44 4.4,45 8.945,46 3.286,48 29.98,49 6.256,50 1.483,51 6,52 21.76,53 0.197,54 9.438,55 9.438,56 1.245,57 4.061,58 4.061,59 17.618,60 172,62 4.654,63 48.347,64 1,65 3.858,66 6.614,67 6.614,68 5.447,69 18.011,70 7.472}
{0 CHEMBL459384,13 4,14 25.833,16 17.964,17 1,18 9.93,19 9.93,20 9.93,21 4,22 12.835,24 1.217,25 10.702,26 16.176,28 2.272,29 14.4,33 12.641,34 7.636,35 10.056,36 58.919,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.209,43 4.636,44 4.437,45 8.8,46 3.321,48 31.353,49 6.254,50 1.5,51 6,52 21.927,53 0.196,54 9.433,55 9.433,56 1.205,57 3.978,58 3.978,59 16.679,60 198,62 4.644,63 49.251,64 1,65 3.872,66 6.451,67 6.451,68 5.486,69 18.011,70 9.469}
{0 CHEMBL459567,13 4,14 25.598,16 17.964,17 1,18 9.93,19 9.93,20 9.93,21 4,22 12.835,24 1.217,25 10.702,26 16.176,28 2.272,29 14.4,33 12.641,34 7.636,35 10.056,36 58.986,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.209,43 4.616,44 4.423,45 8.8,46 3.29,48 30.835,49 6.254,50 1.5,51 6,52 21.581,53 0.196,54 9.433,55 9.433,56 1.344,57 3.97,58 3.97,59 16.679,60 198,62 4.622,63 47.944,64 3,65 3.849,66 6.451,67 6.451,68 5.482,69 18.011,70 8.469}
{0 CHEMBL459571,13 4,14 12.953,16 18.389,17 1,18 11.327,19 11.327,20 11.327,21 4,22 13.057,24 1.138,25 11.028,26 16.541,28 2.208,29 14.706,33 12.889,34 8.036,35 10.443,36 57.997,37 6.061,38 214,39 54,40 4.007,41 4.691,42 7.198,43 4.422,44 4.258,45 9.2,46 3.281,47 1,48 24.851,49 6.715,50 1.33,51 10,52 16.694,53 0.201,54 10.9,55 10.9,56 1.184,57 4.134,58 4.134,59 18.319,60 155,62 4.493,63 46.063,64 2,65 3.815,66 6.852,67 6.852,68 5.352,69 18.011,70 8.125}
{0 CHEMBL459598,13 4,14 12.685,16 17.809,17 2,18 9.455,19 9.455,20 9.455,21 4,22 12.724,24 1,25 10.576,26 16.031,28 2.019,29 14.264,33 12.513,34 7.506,35 9.946,36 52.187,37 5.953,38 192,39 48,40 3.892,41 4.575,42 7.104,43 4.431,44 4.246,45 8.694,46 3.21,48 25.092,49 6.192,50 1.076,51 2,52 16.53,53 0.206,54 9.253,55 9.253,56 1.239,57 3.965,58 3.965,59 15.94,60 158,62 4.424,63 43.12,64 2,65 3.737,66 6.262,67 6.262,68 5.35,69 18.011,70 6.268}
{0 CHEMBL459599,13 4,14 12.621,16 17.758,17 1,18 9.452,19 9.452,20 9.452,21 4,22 12.67,24 0.931,25 10.51,26 15.975,28 2,29 14.203,33 12.448,34 7.434,35 9.883,36 47.96,37 5.872,38 177,39 44,40 3.807,41 4.489,42 7.027,43 4.263,44 4.082,45 8.628,46 3.1,48 21.439,49 6.182,50 1,51 2,52 14.233,53 0.215,54 9.204,55 9.204,56 1.43,57 3.962,58 3.962,59 15.936,60 127,62 4.325,63 38.591,64 2,65 3.648,66 6.261,67 6.261,68 5.2,69 18.011,70 7.67}
{0 CHEMBL459600,13 5,14 12.669,16 17.885,17 1,18 9.468,19 9.468,20 9.468,21 4,22 12.749,24 0.947,25 10.613,26 16.098,28 2.001,29 14.321,33 12.558,34 7.548,35 9.986,36 51.158,37 5.938,38 189,39 47,40 3.871,41 4.554,42 7.093,43 4.403,44 4.201,45 8.74,46 3.171,48 25.665,49 6.228,50 1,51 2,52 16.943,53 0.21,54 9.35,55 9.35,56 1.563,57 3.971,58 3.971,59 15.956,60 139,62 4.447,63 42.114,64 2,65 3.725,66 6.267,67 6.267,68 5.368,69 18.011,70 7.024}
{0 CHEMBL459985,13 3,14 13.061,16 18.412,17 2,18 11.163,19 11.163,20 11.163,21 5,22 13.09,24 1.5,25 11.072,26 16.559,28 2.5,29 14.72,33 12.901,34 7.915,35 10.379,36 59.257,37 6.111,38 225,39 55,40 4.025,41 4.71,42 7.286,43 4.221,44 4.07,45 9.102,46 3.131,48 19.646,49 6.782,50 1.5,51 4,52 13.319,53 0.195,54 11.065,55 11.065,56 1.092,57 4.183,58 4.183,59 18.435,60 149,62 4.423,63 46.66,64 1,65 3.84,66 6.803,67 6.803,68 5.074,70 6.991}
{0 CHEMBL459986,13 2,14 12.682,16 17.938,17 1,18 10.573,19 10.573,20 10.573,21 4,22 12.874,24 1.283,25 10.649,26 16.115,28 2.301,29 14.311,33 12.531,34 7.529,35 9.962,36 53.702,37 5.964,38 194,39 48,40 3.892,41 4.575,42 7.071,43 4.329,44 4.149,45 8.672,46 3.199,48 22.825,49 6.516,50 1.5,52 15.538,53 0.202,54 10.262,55 10.262,56 0.912,57 4.079,58 4.079,59 17.307,60 136,61 1,62 4.447,63 44.654,65 3.788,66 6.674,67 6.674,68 5.197,69 18.011,70 7.252}
{0 CHEMBL460008,13 4,14 25.789,16 18.031,17 1,18 10.412,19 10.412,20 10.412,21 4,22 12.798,24 1.083,25 10.729,26 16.221,28 2.208,29 14.424,33 12.643,34 7.633,35 10.067,36 55.829,37 6.009,38 203,39 50,40 3.932,41 4.615,42 7.16,43 4.523,44 4.319,45 8.8,46 3.282,48 28.78,49 6.256,50 1.442,51 6,52 19.675,53 0.201,54 9.437,55 9.437,56 1.486,57 4.045,58 4.045,59 17.548,60 154,62 4.603,63 46.631,64 1,65 3.822,66 6.606,67 6.606,68 5.426,69 18.011,70 7.134}
{0 CHEMBL460009,13 4,14 25.414,16 18.09,17 1,18 10.334,19 10.334,20 10.334,21 5,22 12.934,24 1.5,25 10.815,26 16.287,28 2.5,29 14.495,33 12.72,34 7.711,35 10.172,36 59.639,37 6.084,38 219,39 54,40 4.007,41 4.691,42 7.235,43 4.518,44 4.334,45 8.903,46 3.358,48 27.391,49 6.256,50 1.5,51 6,52 18.957,53 0.194,54 9.438,55 9.438,56 1.196,57 4.071,58 4.071,59 17.139,60 171,62 4.515,63 46.114,64 1,65 3.837,66 6.544,67 6.544,68 5.374,69 36.022,70 5.636}
{0 CHEMBL460217,10 1,12 1,13 4,14 12.752,16 18.083,17 1,18 10.836,19 10.836,20 10.836,21 5,22 12.929,24 1.229,25 10.797,26 16.267,28 2.297,29 14.464,33 12.68,34 7.678,35 10.129,36 56.989,37 6.052,38 212,39 52,40 3.97,41 4.654,42 7.198,43 4.45,44 4.264,45 8.85,46 3.35,47 1,48 25.845,49 6.256,50 1.5,51 2,52 17.308,53 0.195,54 9.439,55 9.439,56 1.196,57 4.116,58 4.116,59 17.981,60 153,62 4.508,63 44.904,65 3.811,66 6.692,67 6.692,68 5.346,69 34.674,70 6.418}
{0 CHEMBL460628,13 4,14 25.775,15 1,16 18.059,17 1,18 10.415,19 10.415,20 10.415,21 4,22 12.871,24 1.123,25 10.764,26 16.255,28 2.228,29 14.463,33 12.688,34 7.684,35 10.107,36 57.711,37 6.043,38 210,39 52,40 3.97,41 4.654,42 7.198,43 4.521,44 4.338,45 8.852,46 3.283,48 28.281,49 6.256,50 1.483,51 6,52 19.763,53 0.199,54 9.437,55 9.437,56 1.169,57 4.049,58 4.049,59 17.553,60 178,62 4.601,63 46.569,64 1,65 3.831,66 6.607,67 6.607,68 5.439,69 18.011,70 8.316}
{0 CHEMBL460629,13 4,14 25.868,16 18.059,17 1,18 10.415,19 10.415,20 10.415,21 4,22 12.871,24 1.123,25 10.764,26 16.255,28 2.228,29 14.463,33 12.688,34 7.684,35 10.107,36 57.749,37 6.043,38 210,39 52,40 3.97,41 4.654,42 7.198,43 4.561,44 4.36,45 8.852,46 3.285,48 29.367,49 6.256,50 1.483,51 6,52 20.646,53 0.199,54 9.437,55 9.437,56 1.35,57 4.048,58 4.048,59 17.553,60 178,62 4.62,63 47.489,64 1,65 3.84,66 6.607,67 6.607,68 5.435,69 18.011,70 7.597}
{0 CHEMBL460630,13 3,14 25.077,16 17.538,17 1,18 9.281,19 9.281,20 9.281,21 4,22 12.688,24 1,25 10.386,26 15.798,28 2,29 14.071,33 12.361,34 7.345,35 9.774,36 55.18,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.117,43 4.406,44 4.229,45 8.494,46 3.273,48 24.68,49 5.967,50 1.429,51 6,52 16.926,53 0.199,54 8.397,55 8.397,56 1.086,57 3.925,58 3.925,59 15.68,60 202,62 4.415,63 45.324,65 3.802,66 6.212,67 6.212,68 5.292,69 36.022,70 7.319}
{0 CHEMBL460845,13 4,14 25.912,16 18.067,17 1,18 9.932,19 9.932,20 9.932,21 4,22 12.936,24 1.217,25 10.785,26 16.275,28 2.272,29 14.495,33 12.73,34 7.719,35 10.144,36 61.22,37 6.094,38 221,39 55,40 4.025,41 4.71,42 7.249,43 4.67,44 4.473,45 8.899,46 3.323,48 31.817,49 6.254,50 1.5,51 6,52 22.771,53 0.195,54 9.433,55 9.433,56 1.119,57 3.981,58 3.981,59 16.689,60 191,62 4.66,63 50.108,64 1,65 3.889,66 6.452,67 6.452,68 5.494,69 18.011,70 10.301}
{0 CHEMBL461687,13 4,14 25.67,16 17.928,17 1,18 9.893,19 9.893,20 9.893,21 4,22 12.761,24 1.249,25 10.658,26 16.136,28 2.289,29 14.357,33 12.596,34 7.582,35 10.011,36 58.226,37 6.043,38 210,39 52,40 3.97,41 4.654,42 7.186,43 4.639,44 4.453,45 8.742,46 3.312,48 30.58,49 6.254,50 1.5,51 6,52 20.901,53 0.195,54 9.432,55 9.432,56 1.464,57 3.969,58 3.969,59 16.561,60 194,62 4.621,63 49.398,64 1,65 3.87,66 6.443,67 6.443,68 5.483,69 36.022,70 9.796}
{0 CHEMBL461688,13 4,14 26.05,16 18.14,17 1,18 10.561,19 10.561,20 10.561,21 4,22 12.854,24 1.266,25 10.82,26 16.325,28 2.303,29 14.522,33 12.737,34 7.722,35 10.158,36 58.848,37 6.066,38 215,39 53,40 3.989,41 4.673,42 7.217,43 4.637,44 4.434,45 8.899,46 3.311,48 32.03,49 6.256,50 1.5,51 6,52 21.655,53 0.196,54 9.439,55 9.439,56 1.567,57 4.057,58 4.057,59 17.932,60 172,62 4.69,63 49.398,64 3,65 3.866,66 6.668,67 6.668,68 5.538,69 18.011,70 5.192}
{0 CHEMBL461689,13 4,14 25.553,16 17.928,17 1,18 9.893,19 9.893,20 9.893,21 4,22 12.761,24 1.249,25 10.658,26 16.136,28 2.289,29 14.357,33 12.596,34 7.582,35 10.011,36 58.334,37 6.043,38 210,39 52,40 3.97,41 4.654,42 7.186,43 4.631,44 4.449,45 8.742,46 3.298,48 30.43,49 6.254,50 1.5,51 6,52 21.002,53 0.195,54 9.432,55 9.432,56 1.529,57 3.967,58 3.967,59 16.561,60 194,62 4.609,63 48.847,64 3,65 3.864,66 6.443,67 6.443,68 5.481,69 18.011,70 8.5}
{0 CHEMBL461690,13 4,14 25.76,15 1,16 17.964,17 1,18 9.93,19 9.93,20 9.93,21 4,22 12.835,24 1.217,25 10.702,26 16.176,28 2.272,29 14.4,33 12.641,34 7.636,35 10.056,36 58.889,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.209,43 4.618,44 4.426,45 8.8,46 3.319,48 30.903,49 6.254,50 1.5,51 6,52 21.406,53 0.196,54 9.433,55 9.433,56 1.057,57 3.978,58 3.978,59 16.679,60 198,62 4.634,63 48.33,64 1,65 3.863,66 6.451,67 6.451,68 5.488,69 18.011,70 9.027}
{0 CHEMBL463874,13 1,14 38.365,16 19.477,17 1,18 14.029,19 14.029,20 14.029,21 4,22 13.719,24 1.269,25 11.895,26 17.506,28 2.288,29 15.549,33 13.61,34 8.884,35 11.313,36 67.89,37 6.252,38 259,39 66,40 4.205,41 4.89,42 7.449,43 4.625,44 4.468,45 10.04,46 3.274,48 31.656,49 7.467,50 1.295,51 4,52 22.41,53 0.193,54 13.176,55 13.176,56 0.46,57 4.543,58 4.543,59 21.803,60 190,62 4.696,63 51.842,64 5,65 3.934,66 7.656,67 7.656,68 5.651,70 7.721}
{0 CHEMBL464054,13 3,14 27.329,16 19.26,17 1,18 14.304,19 14.304,20 14.304,21 5,22 13.37,24 1.279,25 11.707,26 17.294,28 2.386,29 15.346,33 13.422,34 8.629,35 11.053,36 68.557,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.415,43 4.789,44 4.583,45 9.759,46 3.399,48 38.112,49 7.468,50 1.384,51 4,52 25.57,53 0.186,54 13.179,55 13.179,56 0.858,57 4.57,58 4.57,59 22.411,60 204,62 4.825,63 56.66,64 2,65 4.01,66 7.717,67 7.717,68 5.742,70 7.523}
{0 CHEMBL464055,13 2,14 39.205,16 19.538,17 1,18 14.065,19 14.065,20 14.065,21 5,22 13.705,24 1.269,25 11.909,26 17.55,28 2.287,29 15.575,33 13.62,34 8.857,35 11.302,36 66.543,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.434,43 4.619,44 4.433,45 10.012,46 3.361,48 31.396,49 7.62,50 1.294,51 4,52 21.608,53 0.192,54 13.592,55 13.592,56 1.32,57 4.551,58 4.551,59 22.172,60 172,62 4.688,63 51.722,64 5,65 3.929,66 7.705,67 7.705,68 5.607,70 7.097}
{0 CHEMBL464132,11 1,13 3,16 18.366,17 2,18 11.778,19 11.778,20 11.778,21 6,22 13.108,24 1.5,25 11.063,26 16.526,28 2.5,29 14.705,33 12.908,34 8.057,35 10.48,36 68.211,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.358,43 4.711,44 4.525,45 9.209,46 3.497,47 1,48 33.542,49 6.559,50 1.5,51 5,52 22.557,53 0.177,54 10.451,55 10.451,56 0.965,57 4.242,58 4.242,59 18.633,60 270,62 4.731,63 56.478,64 3,65 4.022,66 6.972,67 6.972,68 5.584,69 42.683,70 9.398}
{0 CHEMBL465106,13 1,14 38.125,16 19.406,17 1,18 14.309,19 14.309,20 14.309,21 5,22 13.68,24 1.278,25 11.819,26 17.434,28 2.4,29 15.477,33 13.54,34 8.777,35 11.209,36 66.883,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.427,43 4.53,44 4.345,45 9.925,46 3.251,48 29.306,49 7.468,50 1.5,51 4,52 20.324,53 0.192,54 13.179,55 13.179,56 0.85,57 4.569,58 4.569,59 22.267,60 172,62 4.665,63 50.745,64 5,65 3.92,66 7.716,67 7.716,68 5.504,70 6.983}
{0 CHEMBL465416,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.634,16 19.029,17 2,18 13.653,19 13.653,20 13.653,21 6,22 13.382,23 4,24 1.5,25 11.525,26 17.101,27 2,28 2.5,29 15.193,30 2,31 1,32 1,33 13.313,34 8.411,35 10.886,36 74.744,37 6.347,38 285,39 70,40 4.263,41 4.949,42 7.477,43 4.928,44 4.737,45 9.595,46 3.525,47 1,48 43.099,49 6.774,50 1.711,51 1,52 29.255,53 0.174,54 11.107,55 11.107,56 1.014,57 4.524,58 4.524,59 21.726,60 242,61 1,62 4.963,63 61.205,65 4.102,66 7.672,67 7.672,68 5.831,69 42.683,70 8.161}
{0 CHEMBL468150,11 1,13 4,16 18.517,17 2,18 11.778,19 11.778,20 11.778,21 6,22 13.11,24 1.5,25 11.184,26 16.656,28 2.5,29 14.813,33 12.996,34 8.136,35 10.561,36 72.319,37 6.293,38 270,39 67,40 4.22,41 4.905,42 7.41,43 5.104,44 4.916,45 9.272,46 3.586,48 49.152,49 6.798,50 1.7,51 5,52 34.169,53 0.172,54 11.211,55 11.211,56 1.215,57 4.243,58 4.243,59 18.828,60 306,62 5.078,63 63.262,65 4.134,66 6.972,67 6.972,68 5.913,69 42.683,70 8.444}
{0 CHEMBL469542,13 4,14 12.666,16 18.036,17 1,18 10.836,19 10.836,20 10.836,21 4,22 12.83,24 0.967,25 10.722,26 16.215,28 2,29 14.407,33 12.618,34 7.621,35 10.074,36 49.686,37 5.922,38 186,39 46,40 3.85,41 4.533,42 7.081,43 4.326,44 4.145,45 8.817,46 3.092,47 1,48 22.113,49 6.256,50 1,51 6,52 14.859,53 0.213,54 9.437,55 9.437,56 1.262,57 4.067,58 4.067,59 17.586,60 110,62 4.344,63 40.904,64 2,65 3.689,66 6.727,67 6.727,68 5.171,69 18.011,70 7.426}
{0 CHEMBL469649,16 17.921,18 11.783,19 11.783,20 11.783,21 3,22 12.734,24 0.741,25 10.551,26 16.049,28 1.823,29 14.194,33 12.364,34 7.338,35 9.848,36 44.94,37 5.771,38 160,39 39,40 3.689,41 4.369,42 6.821,43 4.385,44 4.147,45 8.531,46 3.374,48 24.78,49 6.03,50 0.844,52 17.169,53 0.217,54 8.392,55 8.392,56 0.98,57 4.286,58 4.286,59 19.783,60 201,62 4.421,63 49.66,65 3.816,66 6.981,67 6.981,68 5.271,70 5.267}
{0 CHEMBL469724,13 5,14 12.721,16 18.164,17 1,18 11.328,19 11.328,20 11.328,21 4,22 12.901,24 1,25 10.839,26 16.333,28 2.004,29 14.517,33 12.719,34 7.732,35 10.175,36 52.982,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.143,43 4.404,44 4.211,45 8.92,46 3.273,47 1,48 24.834,49 6.256,50 1.203,51 6,52 16.329,53 0.208,54 9.438,55 9.438,56 1.459,57 4.136,58 4.136,59 18.325,60 124,62 4.503,63 44.427,64 2,65 3.763,66 6.853,67 6.853,68 5.318,69 18.011,70 8.699}
{0 CHEMBL469855,11 1,13 5,14 24.444,16 19.096,18 13.948,19 13.948,20 13.948,21 6,22 13.157,24 0.006,25 11.529,26 17.125,28 1.193,29 15.169,33 13.233,34 8.447,35 10.936,36 49.254,37 5.905,38 183,39 46,40 3.85,41 4.533,42 7.066,43 4.116,44 3.897,45 9.649,46 3.026,48 20.255,49 7.445,50 0.362,52 14.027,53 0.233,54 13.154,55 13.154,56 0.637,57 4.614,58 4.614,59 22.035,60 121,62 4.369,63 40.83,65 3.691,66 7.64,67 7.64,68 5.158,69 42.683,70 4.398}
{0 CHEMBL469856,9 2,13 1,14 11.902,16 18.514,18 12.619,19 12.619,20 12.619,21 6,22 13.062,24 -1,25 11.095,26 16.613,29 14.721,33 12.845,34 8.015,35 10.471,36 35.355,37 5.609,38 136,39 34,40 3.555,41 4.234,42 6.804,43 2.424,44 2.211,45 9.218,46 2.57,48 3.979,49 6.753,50 -0.857,52 2.792,53 0.278,54 11.067,55 11.067,56 0.831,57 4.423,58 4.423,59 20.619,60 36,61 1,62 2.941,63 22.364,64 1,65 3.181,66 7.196,67 7.196,68 3.708,69 85.367,70 4.398}
{0 CHEMBL470507,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.539,16 18.389,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.06,23 4,24 1.5,25 11.087,26 16.546,27 2,28 2.5,29 14.718,30 2,31 1,32 1,33 12.912,34 7.938,35 10.383,36 66.745,37 6.217,38 250,39 61,40 4.127,41 4.812,42 7.324,43 4.655,44 4.493,45 9.094,46 3.431,48 31.457,49 6.691,50 1.5,51 1,52 21.751,53 0.181,54 10.835,55 10.835,56 0.874,57 4.179,58 4.179,59 18.249,60 206,61 1,62 4.702,63 51.847,65 3.965,66 6.774,67 6.774,68 5.523,69 42.683,70 7.569}
{0 CHEMBL470510,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 37.458,15 2,16 18.589,17 2,18 12.407,19 12.407,20 12.407,21 4,22 13.376,23 4,24 1.5,25 11.155,26 16.707,27 1,28 2.5,29 14.845,30 1,31 1,32 1,33 13.011,34 8.134,35 10.57,36 66.265,37 6.159,38 236,39 60,40 4.111,41 4.796,42 7.298,43 4.605,44 4.457,45 9.316,46 3.493,48 29.279,49 6.635,50 1.665,51 1,52 21.509,53 0.192,54 10.702,55 10.702,56 0.779,57 4.238,58 4.238,59 19.573,60 237,61 1,62 4.636,63 50.58,64 1,65 3.928,66 7.293,67 7.293,68 5.47,69 42.683,70 9.046}
{0 CHEMBL470512,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.278,15 1,16 18.326,17 2,18 10.887,19 10.887,20 10.887,21 7,22 13.152,23 4,24 1.472,25 11.05,26 16.5,27 2,28 2.481,29 14.69,30 1,31 1,32 1,33 12.899,34 7.923,35 10.383,36 63.919,37 6.192,38 244,39 60,40 4.111,41 4.796,42 7.345,43 4.506,44 4.369,45 9.11,46 3.315,47 1,48 26.735,49 6.636,50 1.686,51 1,52 18.794,53 0.186,54 10.707,55 10.707,56 0.822,57 4.147,58 4.147,59 18.015,60 184,61 1,62 4.581,63 47.813,64 1,65 3.894,66 6.706,67 6.706,68 5.393,69 42.683,70 7.886}
{0 CHEMBL470578,13 3,14 26.348,16 18.322,17 1,18 10.981,19 10.981,20 10.981,21 5,22 13.037,24 1.108,25 10.989,26 16.486,28 2.226,29 14.663,33 12.859,34 7.899,35 10.326,36 59.237,37 6.089,38 220,39 54,40 4.007,41 4.691,42 7.212,43 4.337,44 4.146,45 9.079,46 3.129,48 24.709,49 6.648,50 1.44,51 6,52 16.953,53 0.197,54 10.615,55 10.615,56 1.544,57 4.151,58 4.151,59 18.225,60 140,62 4.515,63 45.87,64 2,65 3.829,66 6.786,67 6.786,68 5.291,70 5.91}
{0 CHEMBL471149,12 1,13 4,14 13.147,16 18.996,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.404,24 1.597,25 11.54,26 17.067,28 2.603,29 15.16,33 13.28,34 8.431,35 10.872,36 72.291,37 6.326,38 279,39 68,40 4.234,41 4.92,42 7.461,43 4.772,44 4.563,45 9.573,46 3.355,47 1,48 37.933,49 6.923,50 1.806,51 4,52 25.465,53 0.175,54 11.656,55 11.656,56 1.14,57 4.498,58 4.498,59 21.382,60 235,62 4.845,63 56.472,64 2,65 4.041,66 7.642,67 7.642,68 5.704,69 18.011,70 8.222}
{0 CHEMBL471218,13 3,14 26.127,16 18.334,17 1,18 10.982,19 10.982,20 10.982,21 5,22 13.049,24 1.031,25 11.006,26 16.495,28 2.162,29 14.669,33 12.862,34 7.899,35 10.358,36 57.393,37 6.071,38 216,39 53,40 3.989,41 4.673,42 7.249,43 4.237,44 4.052,45 9.104,46 3.108,48 22.006,49 6.672,50 1.35,51 4,52 15.124,53 0.2,54 10.731,55 10.731,56 1.561,57 4.158,58 4.158,59 18.238,60 134,62 4.396,63 44.108,64 2,65 3.795,66 6.786,67 6.786,68 5.177,70 5.237}
{0 CHEMBL471251,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.373,16 18.263,17 2,18 10.689,19 10.689,20 10.689,21 6,22 13.093,23 4,24 1.5,25 11.018,26 16.453,27 2,28 2.5,29 14.657,30 2,31 1,32 1,33 12.882,34 7.897,35 10.359,36 68.761,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.396,43 4.785,44 4.605,45 9.08,46 3.527,48 35.457,49 6.549,50 1.728,51 1,52 25.324,53 0.178,54 10.394,55 10.394,56 0.976,57 4.141,58 4.141,59 17.626,60 238,61 1,62 4.814,63 56.563,65 4.037,66 6.632,67 6.632,68 5.61,69 42.683,70 9.119}
{0 CHEMBL471403,13 2,14 25.671,16 18.622,17 1,18 12.777,19 12.777,20 12.777,21 5,22 13.168,24 1.153,25 11.224,26 16.737,28 2.267,29 14.869,33 13.023,34 8.21,35 10.596,36 61.838,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.274,43 4.453,44 4.263,45 9.336,46 3.183,48 27.966,49 6.786,50 1.5,51 4,52 18.705,53 0.193,54 10.981,55 10.981,56 1.308,57 4.369,58 4.369,59 19.924,60 156,62 4.611,63 49.393,64 1,65 3.896,66 7.225,67 7.225,68 5.437,69 18.011,70 6.839}
{0 CHEMBL471542,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.535,16 18.229,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13,23 4,24 1.5,25 10.972,26 16.41,27 2,28 2.5,29 14.608,30 2,31 1,32 1,33 12.828,34 7.844,35 10.292,36 67.755,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.33,43 4.697,44 4.541,45 9.006,46 3.483,48 31.881,49 6.482,50 1.5,51 1,52 22.118,53 0.179,54 10.094,55 10.094,56 0.892,57 4.179,58 4.179,59 18.136,60 250,61 1,62 4.696,63 53.609,65 3.993,66 6.774,67 6.774,68 5.532,69 42.683,70 8.921}
{0 CHEMBL471623,13 3,14 26.348,16 18.322,17 1,18 10.981,19 10.981,20 10.981,21 5,22 13.037,24 1.108,25 10.989,26 16.486,28 2.226,29 14.663,33 12.859,34 7.899,35 10.326,36 59.237,37 6.089,38 220,39 54,40 4.007,41 4.691,42 7.212,43 4.337,44 4.146,45 9.079,46 3.129,48 24.709,49 6.648,50 1.44,51 6,52 16.953,53 0.197,54 10.615,55 10.615,56 1.544,57 4.151,58 4.151,59 18.225,60 140,62 4.515,63 45.87,64 2,65 3.829,66 6.786,67 6.786,68 5.291,70 8.097}
{0 CHEMBL471722,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.528,16 18.296,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.03,23 4,24 1.5,25 11.016,26 16.469,27 2,28 2.5,29 14.657,30 2,31 1,32 1,33 12.866,34 7.886,35 10.33,36 66.736,37 6.213,38 249,39 61,40 4.127,41 4.812,42 7.321,43 4.69,44 4.526,45 9.046,46 3.462,47 1,48 32.138,49 6.482,50 1.5,51 1,52 22.145,53 0.181,54 10.094,55 10.094,56 0.984,57 4.179,58 4.179,59 18.136,60 228,61 1,62 4.693,63 52.398,65 3.969,66 6.774,67 6.774,68 5.533,69 59.469,70 7.638}
{0 CHEMBL471765,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.082,16 18.174,17 2,18 10.909,19 10.909,20 10.909,21 5,22 12.965,23 2,24 1.5,25 10.901,26 16.357,27 1,28 2.5,29 14.556,30 2,31 1,32 1,33 12.776,34 7.796,35 10.232,36 61.958,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.242,43 4.574,44 4.417,45 8.967,46 3.449,47 1,48 28.043,49 6.453,50 1.5,51 1,52 19.3,53 0.19,54 9.897,55 9.897,56 0.932,57 4.163,58 4.163,59 17.874,60 212,61 1,62 4.571,63 49.637,65 3.9,66 6.727,67 6.727,68 5.412,69 59.469,70 8.155}
{0 CHEMBL471766,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.077,16 18.174,17 2,18 10.909,19 10.909,20 10.909,21 5,22 12.965,23 2,24 1.5,25 10.901,26 16.357,27 1,28 2.5,29 14.556,30 2,31 1,32 1,33 12.776,34 7.796,35 10.232,36 61.958,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.242,43 4.564,44 4.411,45 8.967,46 3.434,48 27.769,49 6.453,50 1.5,51 1,52 19.33,53 0.19,54 9.897,55 9.897,56 0.996,57 4.163,58 4.163,59 17.874,60 212,61 1,62 4.552,63 49.086,64 1,65 3.894,66 6.727,67 6.727,68 5.406,69 42.683,70 8.42}
{0 CHEMBL471844,13 3,14 24.832,16 18.197,17 1,18 10.981,19 10.981,20 10.981,21 4,22 12.938,24 1,25 10.878,26 16.357,28 2,29 14.532,33 12.726,34 7.743,35 10.202,36 52.235,37 5.964,38 194,39 48,40 3.892,41 4.575,42 7.146,43 4.063,44 3.886,45 8.938,46 3.101,48 18.248,49 6.579,50 1.098,51 4,52 12.382,53 0.211,54 10.522,55 10.522,56 1.107,57 4.153,58 4.153,59 18.131,60 114,62 4.237,63 41.347,64 1,65 3.717,66 6.786,67 6.786,68 5.008,69 18.011,70 5.604}
{0 CHEMBL471909,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.113,15 2,16 17.939,17 2,18 10.702,19 10.702,20 10.702,21 4,22 12.829,23 4,24 1.222,25 10.717,26 16.151,27 1,28 2.236,29 14.38,30 1,31 1,32 1,33 12.63,34 7.647,35 10.068,36 63.349,37 6.08,38 218,39 55,40 4.025,41 4.71,42 7.192,43 4.595,44 4.44,45 8.813,46 3.272,48 29.155,49 6.315,50 1.5,51 1,52 21.509,53 0.195,54 9.459,55 9.459,56 0.672,57 4.144,58 4.144,59 17.661,60 243,61 1,62 4.617,63 49.671,65 3.894,66 6.635,67 6.635,68 5.458,69 42.683,70 9.097}
{0 CHEMBL471920,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.107,15 2,16 18.589,17 2,18 12.407,19 12.407,20 12.407,21 4,22 13.114,23 4,24 1.5,25 11.155,26 16.707,27 1,28 2.5,29 14.845,30 1,31 1,32 1,33 13.011,34 8.134,35 10.57,36 64.295,37 6.159,38 236,39 60,40 4.111,41 4.796,42 7.298,43 4.59,44 4.452,45 9.316,46 3.336,48 28.984,49 6.635,50 1.663,51 3,52 20.719,53 0.192,54 10.702,55 10.702,56 0.832,57 4.282,58 4.282,59 19.573,60 237,61 1,62 4.624,63 49.66,65 3.913,66 7.293,67 7.293,68 5.47,69 42.683,70 9.301}
{0 CHEMBL472260,13 3,14 26.567,16 18.306,17 1,18 10.981,19 10.981,20 10.981,21 5,22 13.021,24 1.148,25 10.979,26 16.472,28 2.265,29 14.653,33 12.853,34 7.858,35 10.296,36 61.536,37 6.125,38 228,39 56,40 4.043,41 4.727,42 7.287,43 4.429,44 4.226,45 9.026,46 3.174,48 27.539,49 6.626,50 1.5,51 8,52 18.449,53 0.192,54 10.521,55 10.521,56 1.563,57 4.15,58 4.15,59 18.129,60 156,62 4.623,63 49.393,64 2,65 3.893,66 6.786,67 6.786,68 5.419,70 8.523}
{0 CHEMBL472412,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.333,16 18.239,17 2,18 10.689,19 10.689,20 10.689,21 6,22 13.079,23 4,24 1.5,25 10.991,26 16.43,27 2,28 2.5,29 14.636,30 2,31 1,32 1,33 12.862,34 7.87,35 10.34,36 67.892,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.38,43 4.678,44 4.515,45 9.064,46 3.507,47 1,48 31.36,49 6.501,50 1.719,51 1,52 22.217,53 0.18,54 10.171,55 10.171,56 0.905,57 4.141,58 4.141,59 17.626,60 237,61 1,62 4.698,63 53.256,65 3.985,66 6.632,67 6.632,68 5.501,69 59.469,70 9.222}
{0 CHEMBL472464,13 2,14 26.49,16 18.838,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.24,24 1.268,25 11.352,26 16.923,28 2.392,29 15.026,33 13.153,34 8.299,35 10.724,36 62.523,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.303,43 4.428,44 4.247,45 9.458,46 3.19,48 26.273,49 6.784,50 1.5,51 8,52 17.735,53 0.194,54 10.975,55 10.975,56 1.439,57 4.409,58 4.409,59 20.571,60 158,62 4.589,63 49.393,64 2,65 3.893,66 7.472,67 7.472,68 5.367,70 9.301}
{0 CHEMBL472798,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.274,15 1,16 18.326,17 2,18 10.887,19 10.887,20 10.887,21 7,22 13.152,23 4,24 1.472,25 11.05,26 16.5,27 2,28 2.481,29 14.69,30 1,31 1,32 1,33 12.899,34 7.923,35 10.383,36 63.919,37 6.192,38 244,39 60,40 4.111,41 4.796,42 7.345,43 4.499,44 4.364,45 9.11,46 3.315,47 1,48 26.38,49 6.636,50 1.686,51 1,52 18.517,53 0.186,54 10.707,55 10.707,56 0.78,57 4.147,58 4.147,59 18.015,60 184,61 1,62 4.558,63 47.057,64 3,65 3.878,66 6.706,67 6.706,68 5.381,69 42.683,70 8.456}
{0 CHEMBL472799,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.268,15 1,16 18.231,17 2,18 10.707,19 10.707,20 10.707,21 7,22 13.122,23 4,24 1.444,25 10.983,26 16.423,27 2,28 2.457,29 14.63,30 1,31 1,32 1,33 12.854,34 7.87,35 10.334,36 63.754,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.341,43 4.503,44 4.368,45 9.066,46 3.314,47 1,48 26.671,49 6.372,50 1.709,51 1,52 18.533,53 0.186,54 9.883,55 9.883,56 0.751,57 4.146,58 4.146,59 17.668,60 182,61 1,62 4.584,63 47.057,64 1,65 3.878,66 6.636,67 6.636,68 5.41,69 42.683,70 7.538}
{0 CHEMBL472953,13 5,14 12.501,16 18.176,17 1,18 11.328,19 11.328,20 11.328,21 4,22 12.916,24 1,25 10.843,26 16.344,28 2,29 14.526,33 12.726,34 7.779,35 10.196,36 52.229,37 5.964,38 194,39 48,40 3.892,41 4.575,42 7.083,43 4.306,44 4.111,45 8.96,46 3.272,47 1,48 22.688,49 6.264,50 1.191,51 6,52 14.893,53 0.211,54 9.461,55 9.461,56 1.414,57 4.136,58 4.136,59 18.325,60 109,62 4.44,63 42.665,64 2,65 3.727,66 6.853,67 6.853,68 5.236,69 18.011,70 8.406}
{0 CHEMBL473348,13 4,14 11.739,16 18.022,17 1,18 11.328,19 11.328,20 11.328,21 3,22 12.789,24 0.934,25 10.695,26 16.187,28 2,29 14.368,33 12.571,34 7.597,35 10.016,36 47.208,37 5.844,38 172,39 43,40 3.784,41 4.466,42 6.959,43 4.108,44 3.91,45 8.768,46 3.245,47 1,48 18.997,49 6.221,50 1,51 6,52 12.361,53 0.224,54 9.331,55 9.331,56 1.03,57 4.136,58 4.136,59 18.325,60 99,62 4.292,63 39.904,64 2,65 3.638,66 6.853,67 6.853,68 5.079,69 18.011,70 7.05}
{0 CHEMBL473352,13 4,14 12.034,16 18.281,17 1,18 11.328,19 11.328,20 11.328,21 3,22 13.005,24 1,25 10.944,26 16.442,28 2.006,29 14.615,33 12.807,34 7.951,35 10.363,36 53.376,37 5.969,38 195,39 50,40 3.932,41 4.615,42 7.109,43 4.226,44 4.125,45 9.137,46 3.267,47 1,48 19.967,49 6.449,50 1.213,51 6,52 14.284,53 0.213,54 10.164,55 10.164,56 0.422,57 4.136,58 4.136,59 18.325,60 125,62 4.378,63 41.478,64 2,65 3.706,66 6.853,67 6.853,68 5.255,69 18.011,70 7.069}
{0 CHEMBL473353,13 4,14 12.332,16 18.271,17 1,18 11.328,19 11.328,20 11.328,21 3,22 13.006,24 1.116,25 10.93,26 16.435,28 2.177,29 14.612,33 12.808,34 7.951,35 10.356,36 56.142,37 6.009,38 203,39 52,40 3.97,41 4.654,42 7.141,43 4.315,44 4.192,45 9.13,46 3.276,47 1,48 21.901,49 6.394,50 1.271,51 6,52 15.021,53 0.206,54 9.951,55 9.951,56 0.496,57 4.136,58 4.136,59 18.325,60 162,61 1,62 4.416,63 43.694,64 2,65 3.753,66 6.853,67 6.853,68 5.286,69 18.011,70 7.277}
{0 CHEMBL473558,13 5,14 12.941,16 18.161,17 1,18 11.328,19 11.328,20 11.328,21 4,22 12.896,24 1,25 10.835,26 16.331,28 2.021,29 14.515,33 12.719,34 7.732,35 10.161,36 54.799,37 6.004,38 202,39 50,40 3.932,41 4.615,42 7.111,43 4.493,44 4.302,45 8.914,46 3.275,47 1,48 26.983,49 6.254,50 1.223,51 6,52 17.775,53 0.205,54 9.434,55 9.434,56 1.476,57 4.136,58 4.136,59 18.325,60 125,62 4.563,63 46.188,64 2,65 3.798,66 6.853,67 6.853,68 5.395,69 18.011,70 9.863}
{0 CHEMBL473584,12 1,13 3,14 12.757,16 19.076,17 1,18 13.983,19 13.983,20 13.983,21 8,22 13.485,24 1.583,25 11.614,26 17.148,28 2.607,29 15.239,33 13.353,34 8.563,35 10.994,36 70.068,37 6.29,38 269,39 67,40 4.22,41 4.905,42 7.445,43 4.67,44 4.502,45 9.718,46 3.371,47 1,48 31.767,49 6.923,50 1.803,51 4,52 21.812,53 0.182,54 11.656,55 11.656,56 1.015,57 4.496,58 4.496,59 21.374,60 189,62 4.728,63 54.921,64 4,65 4,66 7.641,67 7.641,68 5.532,70 4.5}
{0 CHEMBL473651,13 2,14 13.328,16 19.181,17 2,18 14.011,19 14.011,20 14.011,21 5,22 13.285,24 1.269,25 11.628,26 17.217,28 2.29,29 15.27,33 13.349,34 8.567,35 10.986,36 65.578,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.377,43 4.781,44 4.565,45 9.691,46 3.329,48 37.614,49 7.466,50 1.299,51 4,52 24.999,53 0.187,54 13.175,55 13.175,56 0.727,57 4.525,58 4.525,59 21.571,60 203,62 4.817,63 56.211,64 2,65 3.988,66 7.649,67 7.649,68 5.737,70 6.301}
{0 CHEMBL473759,13 5,14 13.093,16 18.161,17 1,18 11.328,19 11.328,20 11.328,21 4,22 12.896,24 1.078,25 10.837,26 16.331,28 2.157,29 14.516,33 12.722,34 7.732,35 10.162,36 56.294,37 6.023,38 206,39 51,40 3.951,41 4.635,42 7.136,43 4.554,44 4.364,45 8.903,46 3.279,47 1,48 28.47,49 6.254,50 1.272,51 6,52 18.839,53 0.202,54 9.433,55 9.433,56 1.437,57 4.136,58 4.136,59 18.325,60 142,62 4.598,63 47.95,64 2,65 3.832,66 6.853,67 6.853,68 5.441,69 18.011,70 9.29}
{0 CHEMBL474154,13 5,14 12.438,16 18.106,17 1,18 11.328,19 11.328,20 11.328,21 3,22 12.857,24 1,25 10.764,26 16.276,28 2,29 14.46,33 12.663,34 7.678,35 10.096,36 50.65,37 5.911,38 184,39 46,40 3.85,41 4.533,42 7.029,43 4.354,44 4.15,45 8.86,46 3.269,47 1,48 23.985,49 6.237,50 1.095,51 6,52 15.629,53 0.218,54 9.378,55 9.378,56 1.535,57 4.136,58 4.136,59 18.325,60 109,62 4.473,63 43.427,64 2,65 3.715,66 6.853,67 6.853,68 5.304,69 18.011,70 8.507}
{0 CHEMBL474838,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.273,15 1,16 18.326,17 2,18 10.887,19 10.887,20 10.887,21 7,22 13.152,23 4,24 1.472,25 11.05,26 16.5,27 2,28 2.481,29 14.69,30 1,31 1,32 1,33 12.899,34 7.923,35 10.383,36 63.919,37 6.192,38 244,39 60,40 4.111,41 4.796,42 7.345,43 4.495,44 4.361,45 9.11,46 3.314,47 1,48 26.355,49 6.636,50 1.686,51 1,52 18.36,53 0.186,54 10.707,55 10.707,56 0.841,57 4.147,58 4.147,59 18.015,60 184,61 1,62 4.569,63 47.057,64 2,65 3.879,66 6.706,67 6.706,68 5.391,69 42.683,70 7.921}
{0 CHEMBL475606,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.273,15 1,16 18.326,17 2,18 10.887,19 10.887,20 10.887,21 7,22 13.152,23 4,24 1.472,25 11.05,26 16.5,27 2,28 2.481,29 14.69,30 1,31 1,32 1,33 12.899,34 7.923,35 10.383,36 63.919,37 6.192,38 244,39 60,40 4.111,41 4.796,42 7.345,43 4.501,44 4.365,45 9.11,46 3.317,47 1,48 26.604,49 6.636,50 1.686,51 1,52 18.53,53 0.186,54 10.707,55 10.707,56 0.789,57 4.147,58 4.147,59 18.015,60 184,61 1,62 4.568,63 47.057,64 1,65 3.879,66 6.706,67 6.706,68 5.399,69 42.683,70 8.523}
{0 CHEMBL475777,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.272,15 1,16 18.231,17 2,18 10.707,19 10.707,20 10.707,21 7,22 13.122,23 4,24 1.444,25 10.983,26 16.423,27 2,28 2.457,29 14.63,30 1,31 1,32 1,33 12.854,34 7.87,35 10.334,36 63.754,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.341,43 4.527,44 4.383,45 9.066,46 3.321,47 1,48 27.762,49 6.372,50 1.709,51 1,52 19.41,53 0.186,54 9.883,55 9.883,56 0.791,57 4.146,58 4.146,59 17.668,60 182,61 1,62 4.606,63 47.813,64 1,65 3.894,66 6.636,67 6.636,68 5.43,69 42.683,70 7.187}
{0 CHEMBL479627,13 1,14 37.761,16 19.353,17 1,18 14.022,19 14.022,20 14.022,21 4,22 13.598,24 1,25 11.753,26 17.381,28 2,29 15.422,33 13.482,34 8.728,35 11.156,36 61.624,37 6.155,38 235,39 59,40 4.094,41 4.779,42 7.341,43 4.555,44 4.343,45 9.878,46 3.251,48 30.457,49 7.466,50 1.269,51 4,52 20.748,53 0.201,54 13.175,55 13.175,56 0.85,57 4.537,58 4.537,59 21.625,60 154,62 4.647,63 50.268,64 5,65 3.88,66 7.653,67 7.653,68 5.571,70 7.602}
{0 CHEMBL480503,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.544,16 18.229,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13,23 4,24 1.5,25 10.972,26 16.41,27 2,28 2.5,29 14.608,30 2,31 1,32 1,33 12.828,34 7.844,35 10.292,36 67.755,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.33,43 4.727,44 4.556,45 9.006,46 3.495,48 32.799,49 6.482,50 1.5,51 1,52 23.516,53 0.179,54 10.094,55 10.094,56 0.885,57 4.179,58 4.179,59 18.136,60 250,61 1,62 4.726,63 54.802,65 4.009,66 6.774,67 6.774,68 5.536,69 42.683,70 9.538}
{0 CHEMBL480504,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.198,16 18.132,17 2,18 10.69,19 10.69,20 10.69,21 6,22 12.997,23 4,24 1.5,25 10.898,26 16.334,27 1,28 2.5,29 14.55,30 2,31 1,32 1,33 12.785,34 7.828,35 10.259,36 64.947,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.295,43 4.581,44 4.43,45 9,46 3.476,48 28.196,49 6.319,50 1.5,51 1,52 19.791,53 0.183,54 9.487,55 9.487,56 1.006,57 4.142,58 4.142,59 17.627,60 224,61 1,62 4.594,63 50.086,64 1,65 3.934,66 6.633,67 6.633,68 5.409,69 42.683,70 8.796}
{0 CHEMBL480693,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.311,16 18.123,17 2,18 10.689,19 10.689,20 10.689,21 6,22 12.986,23 4,24 1.5,25 10.896,26 16.325,27 2,28 2.5,29 14.542,30 2,31 1,32 1,33 12.778,34 7.784,35 10.247,36 65.821,37 6.205,38 247,39 61,40 4.127,41 4.812,42 7.344,43 4.638,44 4.48,45 8.967,46 3.479,48 30.452,49 6.318,50 1.5,51 1,52 21.268,53 0.181,54 9.478,55 9.478,56 0.995,57 4.141,58 4.141,59 17.625,60 237,61 1,62 4.654,63 51.847,64 1,65 3.964,66 6.632,67 6.632,68 5.48,69 42.683,70 9.469}
{0 CHEMBL480890,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.233,16 18.229,17 2,18 10.684,19 10.684,20 10.684,21 5,22 13.059,23 4,24 1.5,25 10.973,26 16.415,27 1,28 2.5,29 14.617,30 2,31 1,32 1,33 12.84,34 7.863,35 10.305,36 66.385,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.309,43 4.754,44 4.575,45 9.038,46 3.487,48 34.125,49 6.549,50 1.71,51 1,52 24.334,53 0.184,54 10.394,55 10.394,56 0.948,57 4.139,58 4.139,59 17.62,60 226,61 1,62 4.788,63 55.563,65 4.001,66 6.631,67 6.631,68 5.576,69 42.683,70 9}
{0 CHEMBL481068,13 5,14 26.923,16 18.561,17 1,18 11.774,19 11.774,20 11.774,21 7,22 13.161,24 1.5,25 11.225,26 16.708,28 2.5,29 14.869,33 13.049,34 8.1,35 10.546,36 64.693,37 6.201,38 246,39 60,40 4.111,41 4.796,42 7.328,43 4.48,44 4.268,45 9.291,46 3.169,48 30.633,49 6.649,50 1.664,51 6,52 20.762,53 0.189,54 10.617,55 10.617,56 1.426,57 4.27,58 4.27,59 19.293,60 156,62 4.701,63 48.631,64 2,65 3.902,66 6.978,67 6.978,68 5.506,70 9}
{0 CHEMBL481080,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.543,16 18.229,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13,23 4,24 1.5,25 10.972,26 16.41,27 2,28 2.5,29 14.608,30 2,31 1,32 1,33 12.828,34 7.844,35 10.292,36 67.755,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.33,43 4.722,44 4.553,45 9.006,46 3.502,48 32.776,49 6.482,50 1.5,51 1,52 23.459,53 0.179,54 10.094,55 10.094,56 0.916,57 4.179,58 4.179,59 18.136,60 250,61 1,62 4.719,63 54.802,65 4.009,66 6.774,67 6.774,68 5.536,69 42.683,70 8.886}
{0 CHEMBL481274,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.534,16 18.229,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13,23 4,24 1.5,25 10.972,26 16.41,27 2,28 2.5,29 14.608,30 2,31 1,32 1,33 12.828,34 7.844,35 10.292,36 67.755,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.33,43 4.691,44 4.537,45 9.006,46 3.488,48 31.636,49 6.482,50 1.5,51 1,52 21.963,53 0.179,54 10.094,55 10.094,56 1.021,57 4.179,58 4.179,59 18.136,60 250,61 1,62 4.696,63 53.609,64 1,65 3.992,66 6.774,67 6.774,68 5.526,69 42.683,70 8.824}
{0 CHEMBL481980,13 2,14 39.33,16 19.538,17 1,18 14.065,19 14.065,20 14.065,21 5,22 13.705,24 1.269,25 11.909,26 17.55,28 2.287,29 15.575,33 13.62,34 8.857,35 11.302,36 66.244,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.434,43 4.677,44 4.47,45 10.012,46 3.361,48 33.686,49 7.62,50 1.294,51 4,52 23.169,53 0.192,54 13.592,55 13.592,56 1.154,57 4.558,58 4.558,59 22.172,60 172,62 4.733,63 53.029,64 5,65 3.951,66 7.705,67 7.705,68 5.642,70 7.658}
{0 CHEMBL484427,11 1,13 6,16 19.527,18 14.75,19 14.75,20 14.75,21 18,22 13.401,24 0.323,25 11.939,26 17.528,28 1.425,29 15.542,33 13.575,34 8.827,35 11.317,36 50.453,37 6.047,38 211,39 52,40 3.97,41 4.654,42 7.241,43 4.118,44 3.88,45 10.009,46 3.072,48 20.81,49 7.701,50 0.528,51 3,52 14.486,53 0.224,54 14.247,55 14.247,56 0.752,57 4.714,58 4.714,59 23.305,60 69,62 4.467,63 40.376,65 3.715,66 7.835,67 7.835,68 5.174,69 42.683,70 4.495}
{0 CHEMBL489323,13 4,14 12.964,16 18.161,17 1,18 11.328,19 11.328,20 11.328,21 4,22 12.896,24 1.078,25 10.837,26 16.331,28 2.157,29 14.516,33 12.722,34 7.732,35 10.162,36 56.517,37 6.023,38 206,39 51,40 3.951,41 4.635,42 7.136,43 4.475,44 4.31,45 8.903,46 3.274,47 1,48 25.84,49 6.254,50 1.272,51 6,52 16.671,53 0.202,54 9.433,55 9.433,56 1.126,57 4.136,58 4.136,59 18.325,60 142,62 4.536,63 45.887,64 3,65 3.785,66 6.853,67 6.853,68 5.396,69 18.011,70 6.754}
{0 CHEMBL489324,13 5,14 13.06,16 18.465,17 1,18 11.328,19 11.328,20 11.328,21 4,22 13.1,24 1.174,25 11.098,26 16.616,28 2.247,29 14.78,33 12.961,34 8.098,35 10.506,36 59.892,37 6.098,38 222,39 56,40 4.043,41 4.727,42 7.239,43 4.551,44 4.386,45 9.269,46 3.281,47 1,48 28.081,49 6.715,50 1.332,51 10,52 18.933,53 0.199,54 10.9,55 10.9,56 1.151,57 4.136,58 4.136,59 18.325,60 162,62 4.597,63 47.825,64 2,65 3.848,66 6.853,67 6.853,68 5.454,69 18.011,70 7.208}
{0 CHEMBL489512,13 4,14 13.108,16 18.186,17 2,18 11.328,19 11.328,20 11.328,21 4,22 12.928,24 1.161,25 10.868,26 16.361,28 2.241,29 14.552,33 12.763,34 7.779,35 10.198,36 57.858,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.175,43 4.526,44 4.355,45 8.949,46 3.277,47 1,48 27.023,49 6.254,50 1.33,51 6,52 17.204,53 0.2,54 9.435,55 9.435,56 1.273,57 4.136,58 4.136,59 18.325,60 168,62 4.568,63 48.2,64 3,65 3.822,66 6.853,67 6.853,68 5.43,69 18.011,70 6.728}
{0 CHEMBL489513,13 5,14 12.675,16 18.503,17 1,18 11.59,19 11.59,20 11.59,21 4,22 13.129,24 1.091,25 11.146,26 16.644,28 2.192,29 14.797,33 12.969,34 8.098,35 10.587,36 57.087,37 6.061,38 214,39 54,40 4.007,41 4.691,42 7.262,43 4.398,44 4.251,45 9.336,46 3.274,47 1,48 24.055,49 6.853,50 1.308,51 10,52 16.489,53 0.205,54 11.328,55 11.328,56 0.856,57 4.274,58 4.274,59 18.59,60 142,62 4.5,63 44.302,64 2,65 3.781,66 6.887,67 6.887,68 5.343,69 18.011,70 9.42}
{0 CHEMBL491153,13 5,14 36.721,16 18.465,17 1,18 11.328,19 11.328,20 11.328,21 4,22 13.346,24 1.177,25 11.098,26 16.616,28 2.25,29 14.78,33 12.961,34 8.098,35 10.506,36 61.712,37 6.098,38 222,39 56,40 4.043,41 4.727,42 7.239,43 4.583,44 4.398,45 9.269,46 3.347,47 1,48 28.652,49 6.715,50 1.332,51 6,52 20.032,53 0.199,54 10.9,55 10.9,56 1.242,57 4.136,58 4.136,59 18.325,60 162,62 4.616,63 48.745,64 3,65 3.864,66 6.853,67 6.853,68 5.452,69 18.011,70 8.213}
{0 CHEMBL491154,13 5,14 24.939,16 18.27,17 1,18 11.328,19 11.328,20 11.328,21 4,22 13.016,24 1.286,25 10.94,26 16.446,28 2.335,29 14.636,33 12.844,34 7.861,35 10.273,36 61.683,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.232,43 4.579,44 4.408,45 9.031,46 3.318,47 1,48 28.605,49 6.256,50 1.344,51 6,52 18.582,53 0.196,54 9.438,55 9.438,56 1.295,57 4.136,58 4.136,59 18.325,60 188,62 4.624,63 50.41,64 3,65 3.879,66 6.853,67 6.853,68 5.482,69 18.011,70 7.542}
{0 CHEMBL491319,13 5,14 12.675,16 18.503,17 1,18 11.59,19 11.59,20 11.59,21 4,22 13.129,24 1.091,25 11.146,26 16.644,28 2.192,29 14.797,33 12.969,34 8.098,35 10.587,36 57.087,37 6.061,38 214,39 54,40 4.007,41 4.691,42 7.262,43 4.398,44 4.251,45 9.336,46 3.274,47 1,48 24.055,49 6.853,50 1.308,51 10,52 16.489,53 0.205,54 11.328,55 11.328,56 0.856,57 4.274,58 4.274,59 18.59,60 142,62 4.5,63 44.302,64 2,65 3.781,66 6.887,67 6.887,68 5.343,69 18.011,70 9.319}
{0 CHEMBL491320,13 5,14 13.06,16 18.465,17 1,18 11.328,19 11.328,20 11.328,21 4,22 13.1,24 1.174,25 11.098,26 16.616,28 2.247,29 14.78,33 12.961,34 8.098,35 10.506,36 59.892,37 6.098,38 222,39 56,40 4.043,41 4.727,42 7.239,43 4.551,44 4.386,45 9.269,46 3.281,47 1,48 28.081,49 6.715,50 1.332,51 10,52 18.933,53 0.199,54 10.9,55 10.9,56 1.151,57 4.136,58 4.136,59 18.325,60 162,62 4.597,63 47.825,64 2,65 3.848,66 6.853,67 6.853,68 5.454,69 18.011,70 7.302}
{0 CHEMBL491328,13 4,14 11.885,16 18.035,17 1,18 11.328,19 11.328,20 11.328,21 3,22 12.805,24 0.949,25 10.71,26 16.203,28 2,29 14.386,33 12.59,34 7.615,35 10.031,36 48.757,37 5.872,38 177,39 44,40 3.807,41 4.489,42 6.984,43 4.15,44 3.978,45 8.783,46 3.198,47 1,48 19.142,49 6.224,50 1,51 6,52 12.434,53 0.22,54 9.343,55 9.343,56 1.11,57 4.136,58 4.136,59 18.325,60 106,62 4.305,63 40.358,64 3,65 3.649,66 6.853,67 6.853,68 5.127,69 18.011,70 6.502}
{0 CHEMBL491483,12 1,13 3,14 13.029,16 19.129,17 1,18 14.099,19 14.099,20 14.099,21 8,22 13.577,24 1.879,25 11.673,26 17.205,28 2.819,29 15.3,33 13.418,34 8.616,35 11.058,36 72.142,37 6.315,38 276,39 69,40 4.248,41 4.934,42 7.476,43 4.707,44 4.529,45 9.792,46 3.352,47 1,48 33.584,49 6.923,50 1.908,51 4,52 23.771,53 0.184,54 11.656,55 11.656,56 0.913,57 4.527,58 4.527,59 21.682,60 189,62 4.814,63 53.114,64 4,65 3.974,66 7.661,67 7.661,68 5.569,70 6.11}
{0 CHEMBL491679,13 5,14 12.675,16 18.503,17 1,18 11.59,19 11.59,20 11.59,21 4,22 13.129,24 1.091,25 11.146,26 16.644,28 2.192,29 14.797,33 12.969,34 8.098,35 10.587,36 57.087,37 6.061,38 214,39 54,40 4.007,41 4.691,42 7.262,43 4.398,44 4.251,45 9.336,46 3.274,47 1,48 24.055,49 6.853,50 1.308,51 10,52 16.489,53 0.205,54 11.328,55 11.328,56 0.856,57 4.274,58 4.274,59 18.59,60 142,62 4.5,63 44.302,64 2,65 3.781,66 6.887,67 6.887,68 5.343,69 18.011,70 8.886}
{0 CHEMBL492292,14 25.745,16 19.417,17 1,18 15.226,19 15.226,20 15.226,21 5,22 13.443,24 1.493,25 11.815,26 17.414,28 2.5,29 15.431,33 13.475,34 8.755,35 11.179,36 65.952,37 6.209,38 248,39 62,40 4.143,41 4.828,42 7.376,43 4.467,44 4.291,45 9.875,46 3.351,48 27.956,49 7.642,50 1.5,51 4,52 18.637,53 0.19,54 13.984,55 13.984,56 1.127,57 4.62,58 4.62,59 23.389,60 179,62 4.625,63 50.853,64 3,65 3.916,66 7.992,67 7.992,68 5.462,69 18.011,70 5.34}
{0 CHEMBL492503,12 1,13 3,16 18.954,17 2,18 13.984,19 13.984,20 13.984,21 9,22 13.394,24 1.579,25 11.498,26 17.021,28 2.559,29 15.109,33 13.226,34 8.386,35 10.83,36 66.725,37 6.267,38 263,39 64,40 4.174,41 4.86,42 7.397,43 4.636,44 4.436,45 9.531,46 3.353,47 2,48 32.669,49 6.923,50 1.749,51 4,52 21.68,53 0.18,54 11.656,55 11.656,56 0.734,57 4.496,58 4.496,59 21.376,60 182,61 1,62 4.734,63 50.978,64 1,65 3.948,66 7.641,67 7.641,68 5.541,69 16.786,70 7.131}
{0 CHEMBL492544,12 1,13 3,14 12.616,16 19.007,17 1,18 13.985,19 13.985,20 13.985,21 8,22 13.395,24 1.5,25 11.531,26 17.075,28 2.5,29 15.161,33 13.273,34 8.427,35 10.864,36 65.337,37 6.232,38 254,39 62,40 4.143,41 4.828,42 7.376,43 4.615,44 4.425,45 9.575,46 3.343,47 1,48 31.015,49 6.923,50 1.711,51 4,52 20.792,53 0.188,54 11.656,55 11.656,56 1.345,57 4.498,58 4.498,59 21.385,60 160,62 4.699,63 50.188,64 4,65 3.915,66 7.642,67 7.642,68 5.51,70 7.678}
{0 CHEMBL492728,12 2,13 3,16 18.954,17 2,18 13.984,19 13.984,20 13.984,21 9,22 13.394,24 1.579,25 11.498,26 17.021,28 2.559,29 15.109,33 13.226,34 8.386,35 10.83,36 66.725,37 6.267,38 263,39 64,40 4.174,41 4.86,42 7.397,43 4.644,44 4.445,45 9.531,46 3.353,47 1,48 33.119,49 6.923,50 1.749,51 4,52 22.562,53 0.18,54 11.656,55 11.656,56 0.656,57 4.496,58 4.496,59 21.376,60 182,62 4.738,63 51.182,64 1,65 3.957,66 7.641,67 7.641,68 5.541,70 8.523}
{0 CHEMBL492854,13 1,14 25.38,16 19.008,17 1,18 13.996,19 13.996,20 13.996,21 6,22 13.402,24 1.549,25 11.536,26 17.082,28 2.602,29 15.176,33 13.296,34 8.51,35 10.926,36 69.873,37 6.248,38 258,39 65,40 4.19,41 4.875,42 7.408,43 4.516,44 4.354,45 9.659,46 3.345,48 27.112,49 6.908,50 1.886,51 4,52 19.425,53 0.187,54 11.591,55 11.591,56 0.891,57 4.501,58 4.501,59 21.47,60 207,62 4.621,63 52.569,64 4,65 3.948,66 7.644,67 7.644,68 5.399,69 18.011,70 5.1}
{0 CHEMBL492897,13 1,14 25.292,16 18.958,17 1,18 13.983,19 13.983,20 13.983,21 6,22 13.296,24 1.5,25 11.48,26 17.024,28 2.5,29 15.11,33 13.221,34 8.45,35 10.869,36 65.604,37 6.188,38 243,39 61,40 4.127,41 4.812,42 7.341,43 4.455,44 4.292,45 9.591,46 3.345,48 26.184,49 6.908,50 1.525,51 4,52 17.741,53 0.189,54 11.591,55 11.591,56 0.982,57 4.496,58 4.496,59 21.373,60 183,62 4.541,63 50.853,64 4,65 3.916,66 7.641,67 7.641,68 5.381,69 18.011,70 5.4}
{0 CHEMBL492960,12 1,13 3,16 18.985,17 2,18 13.985,19 13.985,20 13.985,21 8,22 13.418,24 1.577,25 11.518,26 17.051,28 2.633,29 15.136,33 13.248,34 8.411,35 10.843,36 67.504,37 6.24,38 256,39 62,40 4.143,41 4.828,42 7.373,43 4.626,44 4.437,45 9.547,46 3.341,47 1,48 31.301,49 6.923,50 1.76,51 4,52 20.69,53 0.184,54 11.656,55 11.656,56 0.932,57 4.498,58 4.498,59 21.382,60 190,62 4.7,63 50.222,64 2,65 3.919,66 7.642,67 7.642,68 5.51,69 18.011,70 7.959}
{0 CHEMBL493312,12 1,13 3,16 18.987,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.408,24 1.5,25 11.524,26 17.053,28 2.5,29 15.14,33 13.252,34 8.411,35 10.852,36 65.472,37 6.256,38 260,39 63,40 4.159,41 4.844,42 7.388,43 4.555,44 4.374,45 9.555,46 3.347,47 2,48 29.209,49 6.923,50 1.744,51 4,52 18.898,53 0.182,54 11.656,55 11.656,56 0.787,57 4.498,58 4.498,59 21.383,60 160,61 1,62 4.646,63 47.705,64 5,65 3.892,66 7.642,67 7.642,68 5.473,69 16.54,70 6.889}
{0 CHEMBL493884,12 1,13 1,14 26.19,16 19.423,17 2,18 15.226,19 15.226,20 15.226,21 6,22 13.479,24 1.179,25 11.828,26 17.424,28 2.224,29 15.445,33 13.496,34 8.714,35 11.158,36 70.915,37 6.293,38 270,39 66,40 4.205,41 4.89,42 7.434,43 4.543,44 4.387,45 9.846,46 3.394,48 26.839,49 7.661,50 1.615,51 4,52 19.206,53 0.181,54 14.099,55 14.099,56 0.965,57 4.62,58 4.62,59 23.389,60 201,62 4.634,63 52.569,64 1,65 3.967,66 7.992,67 7.992,68 5.411,69 18.011,70 4.5}
{0 CHEMBL495291,14 26.439,16 19.405,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.516,24 1.5,25 11.817,26 17.404,28 2.5,29 15.424,33 13.476,34 8.697,35 11.15,36 70.914,37 6.29,38 269,39 66,40 4.205,41 4.89,42 7.438,43 4.549,44 4.393,45 9.831,46 3.342,48 26.417,49 7.677,50 1.865,51 4,52 19.456,53 0.181,54 14.2,55 14.2,56 1.054,57 4.62,58 4.62,59 23.389,60 201,62 4.647,63 50.83,64 1,65 3.948,66 7.992,67 7.992,68 5.351,69 18.011,70 5.03}
{0 CHEMBL495297,12 1,14 13.022,16 19.372,17 2,18 15.226,19 15.226,20 15.226,21 6,22 13.457,24 1.5,25 11.776,26 17.367,28 2.5,29 15.384,33 13.432,34 8.663,35 11.108,36 67.967,37 6.26,38 261,39 64,40 4.174,41 4.86,42 7.397,43 4.505,44 4.34,45 9.791,46 3.391,48 25.432,49 7.658,50 1.557,51 4,52 18.504,53 0.183,54 14.086,55 14.086,56 0.861,57 4.62,58 4.62,59 23.389,60 190,62 4.578,63 50.591,65 3.933,66 7.992,67 7.992,68 5.327,69 18.011,70 5.28}
{0 CHEMBL495298,12 1,14 26.06,16 19.39,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.436,24 1.5,25 11.786,26 17.382,28 2.5,29 15.394,33 13.434,34 8.665,35 11.111,36 65.604,37 6.221,38 251,39 61,40 4.127,41 4.812,42 7.357,43 4.397,44 4.251,45 9.79,46 3.336,48 24.028,49 7.659,50 1.5,51 4,52 16.748,53 0.186,54 14.088,55 14.088,56 1.109,57 4.62,58 4.62,59 23.389,60 169,62 4.507,63 46.807,64 1,65 3.873,66 7.992,67 7.992,68 5.285,69 18.011,70 5.03}
{0 CHEMBL495654,1 2,3 1,5 1,7 1,8 1,9 2,11 3,13 7,14 37.973,16 18.897,18 12.472,19 12.472,20 12.472,21 4,22 13.244,24 0.292,25 11.413,26 16.985,27 1,28 1.338,29 15.086,30 1,31 2,32 4,33 13.206,34 8.324,35 10.776,36 55.728,37 6.033,38 208,39 52,40 3.97,41 4.654,42 7.201,43 4.354,44 4.195,45 9.528,46 3.228,48 23.646,49 7.145,50 0.991,51 2,52 15.917,53 0.221,54 12.084,55 12.084,56 0.803,57 4.402,58 4.402,59 20.23,60 121,61 1,62 4.483,63 42.438,65 3.744,66 7.236,67 7.236,68 5.426,69 146.061,70 5.921}
{0 CHEMBL495854,1 2,3 1,5 1,7 1,8 1,9 2,11 3,13 7,14 37.973,16 18.897,18 12.472,19 12.472,20 12.472,21 4,22 13.244,24 0.292,25 11.413,26 16.985,27 1,28 1.338,29 15.086,30 1,31 2,32 4,33 13.206,34 8.324,35 10.776,36 55.728,37 6.033,38 208,39 52,40 3.97,41 4.654,42 7.201,43 4.354,44 4.195,45 9.528,46 3.228,48 23.646,49 7.145,50 0.991,51 2,52 15.917,53 0.221,54 12.084,55 12.084,56 0.803,57 4.402,58 4.402,59 20.23,60 121,61 1,62 4.483,63 42.438,65 3.744,66 7.236,67 7.236,68 5.426,69 146.061,70 4.102}
{0 CHEMBL499109,1 2,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 4,14 12.516,16 19.107,17 2,18 13.986,19 13.986,20 13.986,21 9,22 13.545,23 4,24 1.879,25 11.653,26 17.18,27 1,28 2.826,29 15.273,30 2,31 1,32 1,33 13.393,34 8.544,35 10.97,36 77.245,37 6.399,38 300,39 73,40 4.304,41 4.99,42 7.537,43 4.812,44 4.649,45 9.679,46 3.359,47 1,48 37.079,49 6.923,50 1.914,51 4,52 25.693,53 0.171,54 11.656,55 11.656,56 0.685,57 4.499,58 4.499,59 21.39,60 274,61 1,62 4.868,63 57.614,64 1,65 4.073,66 7.642,67 7.642,68 5.696,69 42.683,70 8.155}
{0 CHEMBL499389,12 1,13 3,14 12.844,16 19.121,17 1,18 13.998,19 13.998,20 13.998,21 8,22 13.573,24 1.879,25 11.662,26 17.2,28 2.819,29 15.297,33 13.417,34 8.616,35 11.044,36 73.303,37 6.33,38 280,39 70,40 4.263,41 4.949,42 7.494,43 4.721,44 4.528,45 9.779,46 3.353,47 1,48 35.872,49 6.923,50 1.908,51 4,52 25.277,53 0.182,54 11.656,55 11.656,56 0.875,57 4.503,58 4.503,59 21.478,60 200,62 4.857,63 54.876,64 4,65 4.002,66 7.644,67 7.644,68 5.642,70 7.53}
{0 CHEMBL499483,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.533,16 18.966,17 2,18 13.627,19 13.627,20 13.627,21 6,22 13.302,23 4,24 1.5,25 11.452,26 17.036,27 2,28 2.5,29 15.127,30 2,31 1,32 1,33 13.247,34 8.345,35 10.821,36 71.627,37 6.301,38 272,39 67,40 4.22,41 4.905,42 7.43,43 4.702,44 4.56,45 9.529,46 3.505,47 1,48 31.319,49 6.774,50 1.614,51 1,52 22.195,53 0.177,54 11.107,55 11.107,56 1.047,57 4.431,58 4.431,59 21.641,60 240,61 1,62 4.708,63 54.035,65 4.013,66 7.668,67 7.668,68 5.557,69 59.346,70 8.678}
{0 CHEMBL499729,13 2,14 26.409,16 19.215,17 1,18 14.013,19 14.013,20 14.013,21 5,22 13.351,24 1.275,25 11.664,26 17.255,28 2.378,29 15.313,33 13.395,34 8.604,35 11.022,36 69.947,37 6.267,38 263,39 65,40 4.19,41 4.875,42 7.424,43 4.754,44 4.566,45 9.732,46 3.358,48 36.356,49 7.466,50 1.354,51 8,52 24.161,53 0.183,54 13.175,55 13.175,56 0.958,57 4.527,58 4.527,59 21.582,60 227,62 4.785,63 56.359,64 5,65 4,66 7.65,67 7.65,68 5.738,70 6.457}
{0 CHEMBL499793,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,10 1,11 1,12 1,13 5,14 12.581,16 18.966,17 2,18 13.627,19 13.627,20 13.627,21 6,22 13.302,23 4,24 1.5,25 11.452,26 17.036,27 2,28 2.5,29 15.127,30 2,31 1,32 1,33 13.247,34 8.345,35 10.821,36 71.855,37 6.301,38 272,39 67,40 4.22,41 4.905,42 7.43,43 4.803,44 4.627,45 9.529,46 3.519,47 1,48 36.95,49 6.774,50 1.614,51 1,52 25.25,53 0.177,54 11.107,55 11.107,56 0.958,57 4.514,58 4.514,59 21.641,60 240,61 1,62 4.803,63 57.683,65 4.053,66 7.668,67 7.668,68 5.673,69 59.346,70 7.939}
{0 CHEMBL500523,12 1,14 25.897,16 19.418,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.526,24 1.5,25 11.819,26 17.419,28 2.5,29 15.442,33 13.495,34 8.714,35 11.145,36 72.234,37 6.308,38 274,39 67,40 4.22,41 4.905,42 7.453,43 4.451,44 4.322,45 9.834,46 3.374,48 23.626,49 7.644,50 1.713,51 8,52 17.764,53 0.179,54 13.996,55 13.996,56 1.137,57 4.62,58 4.62,59 23.389,60 213,62 4.536,63 50.739,64 1,65 3.945,66 7.992,67 7.992,68 5.29,69 18.011,70 5.46}
{0 CHEMBL500631,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.368,16 18.263,17 2,18 10.689,19 10.689,20 10.689,21 6,22 13.093,23 4,24 1.5,25 11.018,26 16.453,27 2,28 2.5,29 14.657,30 2,31 1,32 1,33 12.882,34 7.897,35 10.359,36 68.761,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.396,43 4.769,44 4.598,45 9.08,46 3.532,47 1,48 35.076,49 6.549,50 1.728,51 1,52 24.1,53 0.178,54 10.394,55 10.394,56 1.01,57 4.141,58 4.141,59 17.626,60 238,61 1,62 4.809,63 55.921,65 4.025,66 6.632,67 6.632,68 5.617,69 59.469,70 9.244}
{0 CHEMBL500824,12 1,13 4,14 13.247,16 19.18,17 2,18 13.986,19 13.986,20 13.986,21 9,22 13.612,24 1.914,25 11.721,26 17.253,28 2.858,29 15.345,33 13.46,34 8.6,35 11.033,36 79.285,37 6.428,38 309,39 75,40 4.331,41 5.017,42 7.57,43 4.918,44 4.714,45 9.745,46 3.368,47 1,48 44.78,49 6.923,50 1.99,51 4,52 30.611,53 0.17,54 11.656,55 11.656,56 0.857,57 4.5,58 4.5,59 21.421,60 244,62 5.011,63 60.683,64 2,65 4.113,66 7.642,67 7.642,68 5.842,70 7.886}
{0 CHEMBL501077,14 39.587,16 19.68,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.835,24 1.5,25 12.035,26 17.663,28 2.5,29 15.662,33 13.686,34 8.915,35 11.407,36 72.416,37 6.333,38 281,39 69,40 4.248,41 4.934,42 7.543,43 4.537,44 4.385,45 10.083,46 3.437,48 24.493,49 7.805,50 1.811,51 4,52 18.979,53 0.181,54 14.553,55 14.553,56 1.25,57 4.644,58 4.644,59 23.434,60 213,62 4.583,63 51.932,64 3,65 3.973,66 7.992,67 7.992,68 5.32,69 18.011,70 5.04}
{0 CHEMBL501085,12 1,13 3,14 13.072,16 19.245,17 1,18 13.998,19 13.998,20 13.998,21 8,22 13.61,24 1.879,25 11.725,26 17.306,28 2.819,29 15.385,33 13.485,34 8.662,35 11.112,36 71.991,37 6.323,38 278,39 69,40 4.248,41 4.934,42 7.489,43 4.738,44 4.55,45 9.839,46 3.352,47 1,48 33.927,49 7.181,50 1.905,51 4,52 23.994,53 0.184,54 11.841,55 11.841,56 1.197,57 4.508,58 4.508,59 21.55,60 189,62 4.818,63 54.421,64 2,65 3.994,66 7.644,67 7.644,68 5.561,70 8.14}
{0 CHEMBL501383,13 2,14 39.364,16 19.305,17 1,18 14.304,19 14.304,20 14.304,21 5,22 13.455,24 1.438,25 11.761,26 17.347,28 2.468,29 15.408,33 13.494,34 8.692,35 11.107,36 75.526,37 6.344,38 284,39 70,40 4.263,41 4.949,42 7.503,43 4.843,44 4.655,45 9.822,46 3.359,48 39.62,49 7.468,50 1.566,51 4,52 25.953,53 0.179,54 13.179,55 13.179,56 1.097,57 4.566,58 4.566,59 22.411,60 290,62 4.871,63 60.126,64 6,65 4.059,66 7.717,67 7.717,68 5.789,70 7.222}
{0 CHEMBL501941,11 1,13 2,14 27.475,16 19.285,17 1,18 14.304,19 14.304,20 14.304,21 5,22 13.479,24 1.45,25 11.748,26 17.327,28 2.497,29 15.387,33 13.473,34 8.676,35 11.094,36 77.629,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.488,43 4.836,44 4.647,45 9.808,46 3.35,48 39.437,49 7.468,50 1.472,51 4,52 25.975,53 0.181,54 13.179,55 13.179,56 1.003,57 4.566,58 4.566,59 22.411,60 261,62 4.856,63 58.91,64 2,65 4.047,66 7.717,67 7.717,68 5.779,69 42.806,70 7.509}
{0 CHEMBL502432,13 3,14 27.407,16 19.274,17 1,18 14.304,19 14.304,20 14.304,21 5,22 13.396,24 1.28,25 11.728,26 17.313,28 2.402,29 15.37,33 13.452,34 8.658,35 11.075,36 71.425,37 6.301,38 272,39 67,40 4.22,41 4.905,42 7.46,43 4.838,44 4.64,45 9.785,46 3.364,48 39.596,49 7.468,50 1.47,51 4,52 26.238,53 0.182,54 13.179,55 13.179,56 1,57 4.566,58 4.566,59 22.411,60 266,62 4.858,63 59.427,64 3,65 4.047,66 7.717,67 7.717,68 5.797,70 7.432}
{0 CHEMBL502593,14 39.93,16 19.671,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.823,24 1.522,25 12.021,26 17.655,28 2.562,29 15.657,33 13.683,34 8.915,35 11.377,36 74.338,37 6.347,38 285,39 70,40 4.263,41 4.949,42 7.508,43 4.556,44 4.411,45 10.06,46 3.396,48 25.096,49 7.74,50 1.852,51 6,52 19.763,53 0.179,54 14.247,55 14.247,56 1.343,57 4.62,58 4.62,59 23.389,60 225,62 4.617,63 52.387,64 3,65 3.981,66 7.992,67 7.992,68 5.364,69 18.011,70 4.69}
{0 CHEMBL502909,12 1,13 4,16 19.009,17 2,18 13.985,19 13.985,20 13.985,21 9,22 13.458,24 1.738,25 11.558,26 17.081,28 2.769,29 15.174,33 13.294,34 8.446,35 10.885,36 77.453,37 6.344,38 284,39 69,40 4.248,41 4.934,42 7.469,43 4.809,44 4.59,45 9.589,46 3.361,47 1,48 38.821,49 6.923,50 1.879,51 4,52 27.266,53 0.173,54 11.656,55 11.656,56 0.914,57 4.498,58 4.498,59 21.383,60 211,62 4.907,63 57.148,64 3,65 4.053,66 7.642,67 7.642,68 5.69,70 7.398}
{0 CHEMBL502927,13 1,14 40.303,16 19.532,17 1,18 14.062,19 14.062,20 14.062,21 5,22 13.694,24 1.269,25 11.906,26 17.545,28 2.29,29 15.571,33 13.618,34 8.841,35 11.285,36 69.898,37 6.297,38 271,39 67,40 4.22,41 4.905,42 7.473,43 4.768,44 4.579,45 9.988,46 3.382,48 36.148,49 7.615,50 1.299,51 4,52 24.5,53 0.185,54 13.56,55 13.56,56 1.072,57 4.569,58 4.569,59 22.098,60 202,62 4.816,63 56.251,64 8,65 3.997,66 7.699,67 7.699,68 5.735,70 7.959}
{0 CHEMBL503033,12 1,13 3,14 13.192,16 19.031,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.474,24 1.732,25 11.567,26 17.1,28 2.671,29 15.19,33 13.305,34 8.453,35 10.895,36 71.142,37 6.315,38 276,39 67,40 4.22,41 4.905,42 7.453,43 4.694,44 4.503,45 9.597,46 3.354,47 1,48 34.273,49 6.923,50 1.879,51 4,52 23.648,53 0.177,54 11.656,55 11.656,56 1.191,57 4.498,58 4.498,59 21.388,60 208,62 4.782,63 53.182,64 2,65 4,66 7.642,67 7.642,68 5.567,70 7.45}
{0 CHEMBL503631,14 26.15,16 19.399,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.51,24 1.5,25 11.808,26 17.399,28 2.517,29 15.422,33 13.476,34 8.697,35 11.133,36 73.436,37 6.319,38 277,39 68,40 4.234,41 4.92,42 7.468,43 4.675,44 4.508,45 9.815,46 3.415,48 30.063,49 7.657,50 1.883,51 4,52 21.943,53 0.177,54 14.086,55 14.086,56 1.113,57 4.62,58 4.62,59 23.389,60 225,62 4.74,63 54.353,64 1,65 4.005,66 7.992,67 7.992,68 5.475,69 18.011,70 6}
{0 CHEMBL503711,12 2,13 3,14 12.933,16 19.031,17 1,18 13.983,19 13.983,20 13.983,21 9,22 13.474,24 1.677,25 11.567,26 17.101,28 2.649,29 15.19,33 13.306,34 8.453,35 10.896,36 70.957,37 6.315,38 276,39 67,40 4.22,41 4.905,42 7.446,43 4.634,44 4.484,45 9.602,46 3.369,47 1,48 28.708,49 6.923,50 1.835,51 4,52 20.187,53 0.177,54 11.656,55 11.656,56 0.897,57 4.496,58 4.496,59 21.379,60 189,62 4.655,63 52.637,64 2,65 3.989,66 7.641,67 7.641,68 5.417,70 5.3}
{0 CHEMBL503915,12 1,13 3,14 12.784,16 19.076,17 1,18 13.985,19 13.985,20 13.985,21 8,22 13.483,24 1.534,25 11.613,26 17.148,28 2.57,29 15.238,33 13.352,34 8.563,35 10.993,36 68.909,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.433,43 4.669,44 4.472,45 9.718,46 3.353,47 1,48 34.555,49 6.923,50 1.798,51 4,52 23.336,53 0.184,54 11.656,55 11.656,56 1.002,57 4.498,58 4.498,59 21.383,60 180,62 4.796,63 53.16,64 4,65 3.972,66 7.642,67 7.642,68 5.629,70 7.2}
{0 CHEMBL504250,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 2,13 6,14 12.203,15 2,16 18.132,17 2,18 10.708,19 10.708,20 10.708,21 5,22 12.959,23 4,24 1.5,25 10.896,26 16.339,27 1,28 2.5,29 14.561,30 1,31 1,32 1,33 12.802,34 7.849,35 10.256,36 68.08,37 6.213,38 249,39 62,40 4.143,41 4.828,42 7.322,43 4.721,44 4.578,45 9.009,46 3.384,48 33.597,49 6.324,50 1.673,51 1,52 23.951,53 0.182,54 9.508,55 9.508,56 0.714,57 4.147,58 4.147,59 17.669,60 232,61 2,62 4.766,63 53.455,65 3.986,66 6.636,67 6.636,68 5.636,69 85.367,70 8.432}
{0 CHEMBL505270,12 1,13 3,14 12.941,16 18.994,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.456,24 1.814,25 11.537,26 17.066,28 2.758,29 15.159,33 13.281,34 8.431,35 10.871,36 73.774,37 6.34,38 283,39 69,40 4.248,41 4.934,42 7.473,43 4.738,44 4.554,45 9.571,46 3.355,47 1,48 35.334,49 6.923,50 1.879,51 4,52 24.522,53 0.173,54 11.656,55 11.656,56 1.276,57 4.498,58 4.498,59 21.381,60 262,62 4.793,63 55.398,64 4,65 4.035,66 7.642,67 7.642,68 5.627,70 7.2}
{0 CHEMBL505443,1 1,2 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 4,14 12.379,15 2,16 19.112,17 2,18 13.997,19 13.997,20 13.997,21 9,22 13.573,23 4,24 1.904,25 11.663,26 17.187,27 1,28 2.849,29 15.283,30 2,31 1,32 1,33 13.405,34 8.555,35 10.982,36 77.729,37 6.405,38 302,39 74,40 4.317,41 5.004,42 7.55,43 4.763,44 4.609,45 9.695,46 3.358,47 1,48 35.445,49 6.923,50 1.989,51 4,52 25.261,53 0.172,54 11.656,55 11.656,56 0.601,57 4.503,58 4.503,59 21.467,60 250,61 1,62 4.838,63 55.273,64 1,65 4.052,66 7.644,67 7.644,68 5.658,69 42.683,70 8.398}
{0 CHEMBL505556,12 1,13 3,14 13.216,16 19.029,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.471,24 1.734,25 11.568,26 17.1,28 2.674,29 15.19,33 13.306,34 8.453,35 10.887,36 72.566,37 6.33,38 280,39 68,40 4.234,41 4.92,42 7.471,43 4.731,44 4.565,45 9.585,46 3.345,47 1,48 34.804,49 6.922,50 1.914,51 4,52 24.441,53 0.175,54 11.654,55 11.654,56 1.131,57 4.498,58 4.498,59 21.388,60 217,62 4.807,63 53.637,64 2,65 4.008,66 7.642,67 7.642,68 5.633,70 5.5}
{0 CHEMBL505595,13 2,14 26.877,16 19.26,17 1,18 14.014,19 14.014,20 14.014,21 5,22 13.458,24 1.29,25 11.716,26 17.303,28 2.449,29 15.364,33 13.449,34 8.652,35 11.068,36 74.472,37 6.301,38 272,39 67,40 4.22,41 4.905,42 7.46,43 4.812,44 4.619,45 9.782,46 3.34,48 38.35,49 7.466,50 1.448,51 4,52 25.694,53 0.182,54 13.175,55 13.175,56 0.996,57 4.528,58 4.528,59 21.59,60 250,62 4.838,63 57.904,64 2,65 4.032,66 7.65,67 7.65,68 5.745,70 6.664}
{0 CHEMBL505908,12 1,13 3,14 13.108,16 19.232,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.642,24 1.879,25 11.731,26 17.299,28 2.826,29 15.383,33 13.492,34 8.67,35 11.116,36 79.102,37 6.422,38 307,39 76,40 4.344,41 5.03,42 7.576,43 4.739,44 4.569,45 9.834,46 3.356,47 1,48 35.92,49 7.111,50 1.914,51 4,52 24.345,53 0.171,54 11.657,55 11.657,56 0.805,57 4.498,58 4.498,59 21.382,60 279,62 4.816,63 55.762,64 2,65 4.06,66 7.642,67 7.642,68 5.661,69 18.011,70 6.577}
{0 CHEMBL506273,12 1,13 4,14 12.983,16 19.099,17 2,18 13.986,19 13.986,20 13.986,21 9,22 13.509,24 1.879,25 11.642,26 17.168,28 2.826,29 15.257,33 13.371,34 8.522,35 10.955,36 75.719,37 6.375,38 293,39 71,40 4.277,41 4.963,42 7.51,43 4.819,44 4.63,45 9.658,46 3.361,47 1,48 39.378,49 6.923,50 1.914,51 4,52 27.034,53 0.172,54 11.656,55 11.656,56 0.865,57 4.499,58 4.499,59 21.391,60 222,62 4.916,63 57.16,64 2,65 4.062,66 7.642,67 7.642,68 5.715,70 8.301}
{0 CHEMBL506788,12 1,13 5,14 13.499,16 19.108,17 1,18 13.985,19 13.985,20 13.985,21 8,22 13.463,24 1.732,25 11.634,26 17.178,28 2.713,29 15.266,33 13.379,34 8.527,35 10.956,36 71.626,37 6.323,38 278,39 68,40 4.234,41 4.92,42 7.467,43 4.767,44 4.563,45 9.674,46 3.353,47 1,48 37.586,49 6.923,50 1.775,51 4,52 25.075,53 0.181,54 11.656,55 11.656,56 1.23,57 4.498,58 4.498,59 21.397,60 200,62 4.884,63 57.234,64 4,65 4.03,66 7.642,67 7.642,68 5.709,70 7.745}
{0 CHEMBL506795,12 1,13 4,16 19.009,17 2,18 13.985,19 13.985,20 13.985,21 9,22 13.458,24 1.738,25 11.558,26 17.081,28 2.769,29 15.174,33 13.294,34 8.446,35 10.885,36 75.196,37 6.344,38 284,39 69,40 4.248,41 4.934,42 7.469,43 4.768,44 4.571,45 9.589,46 3.358,47 1,48 37.528,49 6.923,50 1.879,51 4,52 25.109,53 0.173,54 11.656,55 11.656,56 1.145,57 4.498,58 4.498,59 21.383,60 211,62 4.874,63 55.955,64 5,65 4.037,66 7.642,67 7.642,68 5.696,70 8.155}
{0 CHEMBL506958,13 2,14 51.896,16 19.543,17 1,18 14.062,19 14.062,20 14.062,21 5,22 13.718,24 1.293,25 11.923,26 17.559,28 2.4,29 15.59,33 13.643,34 8.864,35 11.302,36 74.548,37 6.34,38 283,39 70,40 4.263,41 4.949,42 7.515,43 4.843,44 4.649,45 10.009,46 3.458,48 39.157,49 7.616,50 1.609,51 8,52 26.661,53 0.181,54 13.561,55 13.561,56 1.14,57 4.553,58 4.553,59 22.101,60 264,62 4.874,63 59.012,64 6,65 4.048,66 7.699,67 7.699,68 5.787,70 7.194}
{0 CHEMBL507098,12 1,13 3,14 13.252,16 19.078,17 1,18 13.998,19 13.998,20 13.998,21 9,22 13.564,24 1.894,25 11.618,26 17.155,28 2.823,29 15.252,33 13.374,34 8.512,35 10.951,36 75.533,37 6.368,38 291,39 71,40 4.277,41 4.963,42 7.513,43 4.744,44 4.557,45 9.665,46 3.354,47 1,48 35.088,49 6.923,50 1.941,51 4,52 25.159,53 0.175,54 11.656,55 11.656,56 0.971,57 4.504,58 4.504,59 21.482,60 224,62 4.844,63 54.898,64 2,65 4.03,66 7.644,67 7.644,68 5.581,70 7.8}
{0 CHEMBL507223,12 1,14 38.85,16 19.472,17 1,18 15.504,19 15.504,20 15.504,21 6,22 13.588,24 1.624,25 11.884,26 17.471,28 2.613,29 15.491,33 13.541,34 8.756,35 11.208,36 73.44,37 6.323,38 278,39 68,40 4.234,41 4.92,42 7.467,43 4.485,44 4.353,45 9.894,46 3.396,48 23.16,49 7.661,50 1.787,51 4,52 17.672,53 0.18,54 14.099,55 14.099,56 0.91,57 4.66,58 4.66,59 23.769,60 198,62 4.559,63 49.978,64 2,65 3.941,66 8.044,67 8.044,68 5.302,69 18.011,70 4.5}
{0 CHEMBL508114,1 2,2 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 4,14 12.657,16 19.172,17 2,18 13.986,19 13.986,20 13.986,21 9,22 13.605,23 5,24 1.914,25 11.711,26 17.245,27 3,28 2.858,29 15.336,30 2,31 1,32 1,33 13.451,34 8.591,35 11.025,36 77.597,37 6.412,38 304,39 74,40 4.317,41 5.004,42 7.556,43 4.849,44 4.656,45 9.737,46 3.362,47 1,48 40.794,49 6.923,50 1.99,51 4,52 27.964,53 0.172,54 11.656,55 11.656,56 0.715,57 4.499,58 4.499,59 21.42,60 233,61 1,62 4.93,63 58.921,64 1,65 4.091,66 7.642,67 7.642,68 5.751,69 42.683,70 8.523}
{0 CHEMBL508250,12 1,13 3,16 19.047,17 3,18 13.985,19 13.985,20 13.985,21 9,22 13.473,24 1.733,25 11.592,26 17.117,28 2.73,29 15.206,33 13.322,34 8.473,35 10.911,36 75.464,37 6.347,38 285,39 69,40 4.248,41 4.934,42 7.479,43 4.738,44 4.557,45 9.609,46 3.353,47 1,48 34.875,49 6.923,50 1.879,51 4,52 23.203,53 0.173,54 11.656,55 11.656,56 0.772,57 4.498,58 4.498,59 21.389,60 211,62 4.831,63 55.2,64 5,65 4.019,66 7.642,67 7.642,68 5.626,70 8.301}
{0 CHEMBL509179,12 1,13 3,14 13.078,16 19.027,17 1,18 13.985,19 13.985,20 13.985,21 8,22 13.41,24 1.5,25 11.557,26 17.096,28 2.5,29 15.184,33 13.297,34 8.453,35 10.883,36 67.429,37 6.271,38 264,39 64,40 4.174,41 4.86,42 7.408,43 4.694,44 4.497,45 9.594,46 3.352,47 1,48 34.357,49 6.923,50 1.74,51 4,52 22.958,53 0.183,54 11.656,55 11.656,56 1.33,57 4.498,58 4.498,59 21.387,60 184,62 4.796,63 53.711,64 4,65 3.974,66 7.642,67 7.642,68 5.614,70 7.62}
{0 CHEMBL509298,14 26.551,16 19.422,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.53,24 1.5,25 11.829,26 17.423,28 2.5,29 15.446,33 13.498,34 8.714,35 11.15,36 73.818,37 6.323,38 278,39 68,40 4.234,41 4.92,42 7.471,43 4.676,44 4.508,45 9.833,46 3.412,48 30.306,49 7.656,50 1.871,51 4,52 22.054,53 0.177,54 14.081,55 14.081,56 1.172,57 4.62,58 4.62,59 23.389,60 225,62 4.745,63 54.353,64 1,65 4.005,66 7.992,67 7.992,68 5.478,69 18.011,70 6.35}
{0 CHEMBL509665,12 1,13 4,16 18.993,17 2,18 13.985,19 13.985,20 13.985,21 8,22 13.438,24 1.733,25 11.534,26 17.062,28 2.73,29 15.151,33 13.266,34 8.427,35 10.86,36 71.046,37 6.279,38 266,39 65,40 4.19,41 4.875,42 7.413,43 4.684,44 4.496,45 9.566,46 3.353,47 1,48 34.146,49 6.923,50 1.879,51 4,52 22.843,53 0.181,54 11.656,55 11.656,56 0.921,57 4.498,58 4.498,59 21.383,60 189,62 4.797,63 53.194,64 5,65 3.972,66 7.642,67 7.642,68 5.602,70 8.523}
{0 CHEMBL511154,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.528,16 18.296,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.03,23 4,24 1.5,25 11.016,26 16.469,27 2,28 2.5,29 14.657,30 2,31 1,32 1,33 12.866,34 7.886,35 10.33,36 66.736,37 6.213,38 249,39 61,40 4.127,41 4.812,42 7.321,43 4.692,44 4.528,45 9.046,46 3.459,47 1,48 32.153,49 6.482,50 1.5,51 1,52 22.174,53 0.181,54 10.094,55 10.094,56 0.969,57 4.179,58 4.179,59 18.136,60 228,61 1,62 4.697,63 52.398,65 3.969,66 6.774,67 6.774,68 5.533,69 59.469,70 8.208}
{0 CHEMBL511493,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.321,16 18.123,17 2,18 10.689,19 10.689,20 10.689,21 6,22 12.986,23 4,24 1.5,25 10.896,26 16.325,27 2,28 2.5,29 14.542,30 2,31 1,32 1,33 12.778,34 7.784,35 10.247,36 65.821,37 6.205,38 247,39 61,40 4.127,41 4.812,42 7.344,43 4.665,44 4.492,45 8.967,46 3.504,48 31.049,49 6.318,50 1.5,51 1,52 22.396,53 0.181,54 9.478,55 9.478,56 0.903,57 4.141,58 4.141,59 17.625,60 237,61 1,62 4.678,63 53.04,65 3.981,66 6.632,67 6.632,68 5.477,69 42.683,70 9.638}
{0 CHEMBL511494,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.544,16 18.229,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13,23 4,24 1.5,25 10.972,26 16.41,27 2,28 2.5,29 14.608,30 2,31 1,32 1,33 12.828,34 7.844,35 10.292,36 67.755,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.33,43 4.717,44 4.549,45 9.006,46 3.508,48 32.218,49 6.482,50 1.5,51 1,52 23.083,53 0.179,54 10.094,55 10.094,56 0.953,57 4.179,58 4.179,59 18.136,60 250,61 1,62 4.719,63 54.802,65 4.009,66 6.774,67 6.774,68 5.523,69 42.683,70 8.699}
{0 CHEMBL511634,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.534,16 18.229,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13,23 4,24 1.5,25 10.972,26 16.41,27 2,28 2.5,29 14.608,30 2,31 1,32 1,33 12.828,34 7.844,35 10.292,36 67.755,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.33,43 4.695,44 4.541,45 9.006,46 3.483,48 31.863,49 6.482,50 1.5,51 1,52 22.178,53 0.179,54 10.094,55 10.094,56 1.011,57 4.179,58 4.179,59 18.136,60 250,61 1,62 4.693,63 53.609,65 3.993,66 6.774,67 6.774,68 5.533,69 42.683,70 9.097}
{0 CHEMBL511806,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.523,16 18.296,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13.03,23 4,24 1.5,25 11.016,26 16.469,27 2,28 2.5,29 14.657,30 2,31 1,32 1,33 12.866,34 7.886,35 10.33,36 66.736,37 6.213,38 249,39 61,40 4.127,41 4.812,42 7.321,43 4.683,44 4.524,45 9.046,46 3.432,48 31.898,49 6.482,50 1.5,51 1,52 22.208,53 0.181,54 10.094,55 10.094,56 0.991,57 4.179,58 4.179,59 18.136,60 228,61 1,62 4.679,63 51.847,65 3.965,66 6.774,67 6.774,68 5.527,69 42.683,70 7.742}
{0 CHEMBL512035,9 1,11 1,13 1,14 24.454,16 18.435,18 12.27,19 12.27,20 12.27,21 6,22 13.076,24 -1,25 11.034,26 16.544,28 0.28,29 14.665,33 12.8,34 7.97,35 10.405,36 37.482,37 5.631,38 139,39 35,40 3.584,41 4.263,42 6.832,43 2.63,44 2.465,45 9.157,46 2.611,48 4.774,49 6.734,50 -0.887,52 3.274,53 0.271,54 10.995,55 10.995,56 0.649,57 4.403,58 4.403,59 20.27,60 40,62 2.99,63 23.364,65 3.225,66 7.105,67 7.105,68 3.662,69 42.683,70 4.678}
{0 CHEMBL513564,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,12 1,13 5,14 12.087,16 18.174,17 2,18 10.909,19 10.909,20 10.909,21 5,22 12.965,23 2,24 1.5,25 10.901,26 16.357,27 1,28 2.5,29 14.556,30 2,31 1,32 1,33 12.776,34 7.796,35 10.232,36 61.958,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.242,43 4.594,44 4.424,45 8.967,46 3.446,48 28.335,49 6.453,50 1.5,51 1,52 20.42,53 0.19,54 9.897,55 9.897,56 0.913,57 4.163,58 4.163,59 17.874,60 212,61 1,62 4.578,63 50.279,65 3.913,66 6.727,67 6.727,68 5.403,69 42.683,70 9.292}
{0 CHEMBL514000,13 5,14 13.038,16 18.161,17 1,18 11.328,19 11.328,20 11.328,21 4,22 12.896,24 1.078,25 10.837,26 16.331,28 2.157,29 14.516,33 12.722,34 7.732,35 10.162,36 56.541,37 6.023,38 206,39 51,40 3.951,41 4.635,42 7.136,43 4.512,44 4.336,45 8.903,46 3.274,47 1,48 27.288,49 6.254,50 1.272,51 6,52 18.002,53 0.202,54 9.433,55 9.433,56 1.19,57 4.136,58 4.136,59 18.325,60 142,62 4.574,63 46.643,64 2,65 3.807,66 6.853,67 6.853,68 5.424,69 18.011,70 6.785}
{0 CHEMBL514410,13 4,14 25.771,16 17.933,17 1,18 9.929,19 9.929,20 9.929,21 4,22 12.76,24 1.209,25 10.665,26 16.139,28 2.268,29 14.358,33 12.594,34 7.582,35 10.014,36 56.904,37 6.023,38 206,39 51,40 3.951,41 4.635,42 7.171,43 4.619,44 4.417,45 8.746,46 3.318,48 31.038,49 6.254,50 1.5,51 6,52 21.384,53 0.198,54 9.433,55 9.433,56 1.316,57 3.978,58 3.978,59 16.678,60 174,62 4.635,63 48.393,64 1,65 3.855,66 6.451,67 6.451,68 5.484,69 18.011,70 7.873}
{0 CHEMBL514749,13 4,14 13.318,16 18.553,17 2,18 11.507,19 11.507,20 11.507,21 7,22 13.154,24 1.5,25 11.217,26 16.69,28 2.5,29 14.843,33 13.017,34 8.054,35 10.495,36 64.656,37 6.205,38 247,39 60,40 4.111,41 4.796,42 7.334,43 4.426,44 4.242,45 9.21,46 3.154,48 26.509,49 6.786,50 1.805,51 4,52 18.247,53 0.186,54 10.991,55 10.991,56 1.16,57 4.219,58 4.219,59 18.672,60 165,62 4.65,63 49.421,64 1,65 3.913,66 6.872,67 6.872,68 5.318,70 7.387}
{0 CHEMBL515097,13 2,14 26.701,16 19.243,17 1,18 14.014,19 14.014,20 14.014,21 5,22 13.366,24 1.269,25 11.688,26 17.282,28 2.29,29 15.338,33 13.418,34 8.623,35 11.042,36 68.573,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.415,43 4.77,44 4.571,45 9.752,46 3.332,48 36.913,49 7.466,50 1.299,51 4,52 24.609,53 0.186,54 13.175,55 13.175,56 0.96,57 4.528,58 4.528,59 21.59,60 200,62 4.804,63 55.904,64 3,65 3.992,66 7.65,67 7.65,68 5.723,70 6.301}
{0 CHEMBL515261,13 5,14 12.589,16 18.106,17 1,18 11.328,19 11.328,20 11.328,21 4,22 12.89,24 1,25 10.8,26 16.282,28 2.007,29 14.473,33 12.685,34 7.74,35 10.148,36 53.474,37 5.979,38 197,39 49,40 3.912,41 4.595,42 7.094,43 4.394,44 4.206,45 8.912,46 3.281,47 1,48 24.477,49 6.225,50 1.216,51 6,52 16.145,53 0.208,54 9.35,55 9.35,56 1.247,57 4.136,58 4.136,59 18.325,60 123,62 4.485,63 44.427,64 2,65 3.763,66 6.853,67 6.853,68 5.299,69 18.011,70 8.5}
{0 CHEMBL516027,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,13 5,14 12.267,15 1,16 18.231,17 2,18 10.707,19 10.707,20 10.707,21 7,22 13.122,23 4,24 1.444,25 10.983,26 16.423,27 2,28 2.457,29 14.63,30 1,31 1,32 1,33 12.854,34 7.87,35 10.334,36 63.754,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.341,43 4.514,44 4.374,45 9.066,46 3.318,47 1,48 27.164,49 6.372,50 1.709,51 1,52 18.957,53 0.186,54 9.883,55 9.883,56 0.789,57 4.146,58 4.146,59 17.668,60 182,61 1,62 4.585,63 47.057,64 3,65 3.878,66 6.636,67 6.636,68 5.411,69 42.683,70 6.699}
{0 CHEMBL516939,13 4,14 12.621,16 17.758,17 1,18 9.452,19 9.452,20 9.452,21 4,22 12.67,24 0.931,25 10.51,26 15.975,28 2,29 14.203,33 12.448,34 7.434,35 9.883,36 47.96,37 5.872,38 177,39 44,40 3.807,41 4.489,42 7.027,43 4.263,44 4.082,45 8.628,46 3.1,48 21.439,49 6.182,50 1,51 2,52 14.233,53 0.215,54 9.204,55 9.204,56 1.306,57 3.963,58 3.963,59 15.936,60 127,62 4.325,63 38.591,64 2,65 3.648,66 6.261,67 6.261,68 5.2,69 18.011,70 5.733}
{0 CHEMBL517893,13 3,14 13.172,16 18.412,17 2,18 11.295,19 11.295,20 11.295,21 5,22 13.09,24 1.5,25 11.072,26 16.559,28 2.5,29 14.72,33 12.901,34 7.915,35 10.379,36 59.099,37 6.111,38 225,39 55,40 4.025,41 4.71,42 7.286,43 4.288,44 4.118,45 9.102,46 3.129,48 21.884,49 6.786,50 1.5,51 4,52 15.071,53 0.195,54 10.981,55 10.981,56 1.151,57 4.175,58 4.175,59 18.466,60 147,62 4.431,63 46.66,64 1,65 3.84,66 6.814,67 6.814,68 5.141,70 7.62}
{0 CHEMBL518326,13 4,14 25.976,16 18.077,17 1,18 10.415,19 10.415,20 10.415,21 4,22 12.886,24 1.137,25 10.784,26 16.274,28 2.233,29 14.482,33 12.707,34 7.708,35 10.124,36 58.958,37 6.066,38 215,39 53,40 3.989,41 4.673,42 7.217,43 4.561,44 4.382,45 8.868,46 3.286,48 28.945,49 6.256,50 1.49,51 6,52 19.806,53 0.196,54 9.437,55 9.437,56 1.294,57 4.05,58 4.05,59 17.555,60 202,62 4.626,63 48.847,64 1,65 3.864,66 6.607,67 6.607,68 5.475,69 18.011,70 7.191}
{0 CHEMBL518640,13 4,14 25.526,15 1,16 17.964,17 1,18 9.93,19 9.93,20 9.93,21 4,22 12.835,24 1.217,25 10.702,26 16.176,28 2.272,29 14.4,33 12.641,34 7.636,35 10.056,36 58.955,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.209,43 4.597,44 4.412,45 8.8,46 3.289,48 30.387,49 6.254,50 1.5,51 6,52 21.027,53 0.196,54 9.433,55 9.433,56 1.198,57 3.97,58 3.97,59 16.679,60 198,62 4.613,63 47.023,64 3,65 3.84,66 6.451,67 6.451,68 5.484,69 18.011,70 8.44}
{0 CHEMBL518794,13 4,14 25.92,16 17.984,17 1,18 9.93,19 9.93,20 9.93,21 4,22 12.851,24 1.219,25 10.723,26 16.196,28 2.273,29 14.421,33 12.662,34 7.662,35 10.074,36 60.102,37 6.08,38 218,39 54,40 4.007,41 4.691,42 7.228,43 4.651,44 4.46,45 8.817,46 3.322,48 32.002,49 6.254,50 1.5,51 6,52 21.939,53 0.194,54 9.433,55 9.433,56 1.161,57 3.979,58 3.979,59 16.679,60 222,62 4.663,63 50.609,64 1,65 3.896,66 6.451,67 6.451,68 5.53,69 18.011,70 8.301}
{0 CHEMBL518924,12 1,13 1,16 17.791,17 1,18 10.851,19 10.851,20 10.851,21 6,22 12.796,24 0.521,25 10.529,26 15.966,28 1.633,29 14.156,33 12.369,34 7.38,35 9.849,36 42.448,37 5.771,38 160,39 39,40 3.689,41 4.369,42 6.872,43 4.136,44 3.976,45 8.547,46 3.076,47 1,48 17.575,49 6.246,50 0.597,52 11.544,53 0.223,54 9.487,55 9.487,56 1.181,57 4.097,58 4.097,59 18.036,60 100,61 1,62 4.176,63 34.404,65 3.541,66 6.693,67 6.693,68 4.968,69 49.683,70 5}
{0 CHEMBL519278,13 1,14 25.582,16 19.196,17 1,18 14.013,19 14.013,20 14.013,21 4,22 13.309,24 1,25 11.628,26 17.23,28 2,29 15.28,33 13.352,34 8.574,35 10.985,36 60.683,37 6.138,38 231,39 57,40 4.06,41 4.745,42 7.302,43 4.565,44 4.361,45 9.7,46 3.187,48 30.239,49 7.466,50 1.269,51 4,52 19.605,53 0.199,54 13.175,55 13.175,56 1.004,57 4.527,58 4.527,59 21.581,60 164,62 4.623,63 50.171,64 3,65 3.868,66 7.65,67 7.65,68 5.559,69 18.011,70 7.456}
{0 CHEMBL519298,13 1,14 39.05,16 19.508,17 1,18 14.043,19 14.043,20 14.043,21 4,22 13.675,24 1.269,25 11.866,26 17.52,28 2.285,29 15.546,33 13.591,34 8.819,35 11.257,36 63.812,37 6.213,38 249,39 62,40 4.143,41 4.828,42 7.397,43 4.671,44 4.469,45 9.97,46 3.265,48 33.077,49 7.587,50 1.282,51 4,52 22.325,53 0.197,54 13.254,55 13.254,56 1.253,57 4.561,58 4.561,59 21.836,60 172,62 4.724,63 53.035,64 8,65 3.921,66 7.678,67 7.678,68 5.65,70 7.222}
{0 CHEMBL519317,13 6,14 24.57,16 19.259,18 14.732,19 14.732,20 14.732,21 10,22 13.242,24 0.298,25 11.7,26 17.28,28 1.448,29 15.315,33 13.37,34 8.59,35 11.055,36 50.219,37 5.969,38 195,39 48,40 3.892,41 4.575,42 7.144,43 4.06,44 3.851,45 9.762,46 3.054,48 19.351,49 7.326,50 0.392,52 13.618,53 0.23,54 12.723,55 12.723,56 0.643,57 4.701,58 4.701,59 23.283,60 69,62 4.427,63 39.614,65 3.687,66 7.832,67 7.832,68 5.102,70 5.046}
{0 CHEMBL520091,1 3,2 1,3 1,4 2,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 5,14 12.208,16 18.132,17 2,18 10.69,19 10.69,20 10.69,21 6,22 12.997,23 4,24 1.5,25 10.898,26 16.334,27 1,28 2.5,29 14.55,30 2,31 1,32 1,33 12.785,34 7.828,35 10.259,36 64.947,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.295,43 4.609,44 4.443,45 9,46 3.5,48 28.759,49 6.319,50 1.5,51 1,52 20.855,53 0.183,54 9.487,55 9.487,56 0.913,57 4.142,58 4.142,59 17.627,60 224,61 1,62 4.62,63 51.279,65 3.952,66 6.633,67 6.633,68 5.405,69 42.683,70 9.638}
{0 CHEMBL520755,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.54,16 18.229,17 2,18 11.107,19 11.107,20 11.107,21 6,22 13,23 4,24 1.5,25 10.972,26 16.41,27 2,28 2.5,29 14.608,30 2,31 1,32 1,33 12.828,34 7.844,35 10.292,36 67.755,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.33,43 4.71,44 4.55,45 9.006,46 3.498,47 1,48 32.465,49 6.482,50 1.5,51 1,52 22.353,53 0.179,54 10.094,55 10.094,56 0.903,57 4.179,58 4.179,59 18.136,60 250,61 1,62 4.72,63 54.16,65 3.997,66 6.774,67 6.774,68 5.544,69 59.469,70 9.174}
{0 CHEMBL521529,13 1,14 26.278,16 19.423,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.48,24 1.429,25 11.828,26 17.424,28 2.476,29 15.445,33 13.496,34 8.714,35 11.158,36 70.866,37 6.293,38 270,39 66,40 4.205,41 4.89,42 7.434,43 4.537,44 4.381,45 9.846,46 3.371,48 26.22,49 7.661,50 1.5,51 6,52 19.066,53 0.181,54 14.099,55 14.099,56 1.323,57 4.62,58 4.62,59 23.389,60 201,62 4.582,63 51.807,64 1,65 3.957,66 7.992,67 7.992,68 5.372,69 18.011,70 5.32}
{0 CHEMBL521699,12 1,14 26.17,16 19.423,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.529,24 1.5,25 11.828,26 17.423,28 2.5,29 15.445,33 13.495,34 8.714,35 11.157,36 69.755,37 6.279,38 266,39 65,40 4.19,41 4.875,42 7.422,43 4.465,44 4.325,45 9.846,46 3.336,48 24.486,49 7.661,50 1.602,51 4,52 18.135,53 0.183,54 14.1,55 14.1,56 1.003,57 4.62,58 4.62,59 23.389,60 190,62 4.58,63 48.523,64 1,65 3.907,66 7.992,67 7.992,68 5.302,69 18.011,70 5.83}
{0 CHEMBL522158,12 1,14 26.028,16 19.423,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.531,24 1.5,25 11.828,26 17.424,28 2.5,29 15.445,33 13.496,34 8.714,35 11.158,36 70.996,37 6.293,38 270,39 66,40 4.205,41 4.89,42 7.434,43 4.432,44 4.306,45 9.846,46 3.37,48 22.329,49 7.661,50 1.624,51 6,52 17.01,53 0.181,54 14.099,55 14.099,56 1.136,57 4.62,58 4.62,59 23.389,60 201,62 4.497,63 48.978,64 1,65 3.915,66 7.992,67 7.992,68 5.272,69 18.011,70 5.4}
{0 CHEMBL522259,13 5,14 13.06,16 18.465,17 1,18 11.328,19 11.328,20 11.328,21 4,22 13.1,24 1.174,25 11.098,26 16.616,28 2.247,29 14.78,33 12.961,34 8.098,35 10.506,36 59.892,37 6.098,38 222,39 56,40 4.043,41 4.727,42 7.239,43 4.551,44 4.386,45 9.269,46 3.281,47 1,48 28.081,49 6.715,50 1.332,51 10,52 18.933,53 0.199,54 10.9,55 10.9,56 1.151,57 4.136,58 4.136,59 18.325,60 162,62 4.597,63 47.825,64 2,65 3.848,66 6.853,67 6.853,68 5.454,69 18.011,70 9.076}
{0 CHEMBL522493,12 1,14 26.109,16 19.423,17 1,18 15.226,19 15.226,20 15.226,21 6,22 13.531,24 1.5,25 11.828,26 17.424,28 2.5,29 15.445,33 13.496,34 8.714,35 11.158,36 70.915,37 6.293,38 270,39 66,40 4.205,41 4.89,42 7.434,43 4.491,44 4.349,45 9.846,46 3.391,48 24.036,49 7.661,50 1.624,51 4,52 17.926,53 0.181,54 14.099,55 14.099,56 1.007,57 4.62,58 4.62,59 23.389,60 201,62 4.563,63 50.284,64 1,65 3.937,66 7.992,67 7.992,68 5.31,69 18.011,70 6.85}
{0 CHEMBL522659,12 1,13 3,16 18.954,17 2,18 13.984,19 13.984,20 13.984,21 9,22 13.394,24 1.579,25 11.498,26 17.021,28 2.559,29 15.109,33 13.226,34 8.386,35 10.83,36 66.725,37 6.267,38 263,39 64,40 4.174,41 4.86,42 7.397,43 4.623,44 4.428,45 9.531,46 3.353,47 1,48 32.437,49 6.923,50 1.749,51 4,52 21.82,53 0.18,54 11.656,55 11.656,56 0.605,57 4.496,58 4.496,59 21.376,60 182,62 4.723,63 50.427,64 2,65 3.943,66 7.641,67 7.641,68 5.537,70 7.886}
{0 CHEMBL522669,12 1,13 3,16 18.987,17 1,18 13.985,19 13.985,20 13.985,21 9,22 13.41,24 1.532,25 11.525,26 17.054,28 2.526,29 15.14,33 13.254,34 8.411,35 10.852,36 66.862,37 6.271,38 264,39 64,40 4.174,41 4.86,42 7.408,43 4.622,44 4.432,45 9.549,46 3.352,47 1,48 31.352,49 6.923,50 1.782,51 4,52 20.991,53 0.18,54 11.656,55 11.656,56 1.011,57 4.498,58 4.498,59 21.382,60 184,62 4.705,63 50.217,64 4,65 3.939,66 7.642,67 7.642,68 5.501,70 6.495}
{0 CHEMBL523267,13 5,14 24.831,16 18.186,17 1,18 11.328,19 11.328,20 11.328,21 4,22 12.964,24 1.168,25 10.868,26 16.361,28 2.246,29 14.552,33 12.763,34 7.779,35 10.198,36 60.223,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.175,43 4.572,44 4.378,45 8.949,46 3.285,47 1,48 28.474,49 6.254,50 1.331,51 6,52 19.927,53 0.2,54 9.435,55 9.435,56 1.317,57 4.136,58 4.136,59 18.325,60 168,62 4.61,63 48.29,64 2,65 3.846,66 6.853,67 6.853,68 5.436,69 18.011,70 8.312}
{0 CHEMBL523512,12 1,13 3,16 18.985,17 2,18 13.985,19 13.985,20 13.985,21 8,22 13.421,24 1.5,25 11.518,26 17.051,28 2.618,29 15.136,33 13.248,34 8.411,35 10.843,36 70.947,37 6.24,38 256,39 62,40 4.143,41 4.828,42 7.373,43 4.653,44 4.446,45 9.547,46 3.342,47 1,48 31.855,49 6.923,50 1.74,51 4,52 22.612,53 0.184,54 11.656,55 11.656,56 0.927,57 4.498,58 4.498,59 21.382,60 190,62 4.727,63 50.864,64 3,65 3.932,66 7.642,67 7.642,68 5.489,70 7.638}
{0 CHEMBL524001,12 1,13 3,16 18.985,17 2,18 13.985,19 13.985,20 13.985,21 8,22 13.421,24 1.5,25 11.518,26 17.051,28 2.618,29 15.136,33 13.248,34 8.411,35 10.843,36 67.734,37 6.24,38 256,39 62,40 4.143,41 4.828,42 7.373,43 4.605,44 4.424,45 9.547,46 3.327,47 1,48 30.64,49 6.923,50 1.74,51 4,52 20.616,53 0.184,54 11.656,55 11.656,56 0.949,57 4.498,58 4.498,59 21.382,60 190,62 4.687,63 49.671,64 5,65 3.913,66 7.642,67 7.642,68 5.496,70 8.699}
{0 CHEMBL524050,12 1,13 4,14 12.69,16 18.981,17 1,18 13.985,19 13.985,20 13.985,21 8,22 13.382,24 1.5,25 11.515,26 17.048,28 2.535,29 15.136,33 13.251,34 8.411,35 10.846,36 66.564,37 6.244,38 257,39 63,40 4.159,41 4.844,42 7.385,43 4.651,44 4.449,45 9.555,46 3.352,47 1,48 33.497,49 6.923,50 1.773,51 4,52 22.331,53 0.185,54 11.656,55 11.656,56 1.072,57 4.498,58 4.498,59 21.382,60 186,62 4.761,63 51.95,64 2,65 3.948,66 7.642,67 7.642,68 5.592,69 18.011,70 8.398}
{0 CHEMBL524159,14 25.694,16 19.417,17 1,18 15.226,19 15.226,20 15.226,21 5,22 13.444,24 1.5,25 11.815,26 17.415,28 2.5,29 15.432,33 13.476,34 8.755,35 11.18,36 67.175,37 6.225,38 252,39 63,40 4.159,41 4.844,42 7.388,43 4.494,44 4.327,45 9.875,46 3.405,48 27.396,49 7.641,50 1.5,51 4,52 18.549,53 0.187,54 13.983,55 13.983,56 1.137,57 4.62,58 4.62,59 23.389,60 190,62 4.596,63 52.614,64 3,65 3.946,66 7.992,67 7.992,68 5.428,69 18.011,70 5.07}
{0 CHEMBL535172,11 1,13 1,14 26.858,16 19.048,17 1,18 15.238,19 15.238,20 15.238,21 4,22 13.241,24 1.203,25 11.494,26 17.066,28 2.313,29 15.11,33 13.188,34 8.427,35 10.854,36 60.204,37 6.098,38 222,39 56,40 4.043,41 4.727,42 7.256,43 4.382,44 4.215,45 9.557,46 3.312,48 24.931,49 6.514,50 1.5,51 6,52 16.766,53 0.198,54 10.33,55 10.33,56 1.197,57 4.628,58 4.628,59 23.669,60 208,61 2,62 4.493,63 47.54,64 1,65 3.845,66 7.993,67 7.993,68 5.373,69 60.694,70 7.328}
{0 CHEMBL535616,13 2,14 26.45,16 18.904,17 1,18 15.237,19 15.237,20 15.237,21 3,22 12.909,24 1,25 11.303,26 16.896,28 2,29 14.914,33 12.969,34 8.162,35 10.6,36 51.464,37 5.922,38 186,39 46,40 3.85,41 4.533,42 7.047,43 4.307,44 4.072,45 9.271,46 3.29,48 23.928,49 6.254,50 1.021,51 4,52 15.805,53 0.212,54 9.059,55 9.059,56 1.452,57 4.626,58 4.626,59 23.664,60 182,61 2,62 4.379,63 46.154,64 1,65 3.779,66 7.993,67 7.993,68 5.294,69 18.011,70 5.523}
{0 CHEMBL536063,13 2,14 26.45,16 18.904,17 1,18 15.237,19 15.237,20 15.237,21 3,22 12.909,24 1,25 11.303,26 16.896,28 2,29 14.914,33 12.969,34 8.162,35 10.6,36 51.464,37 5.922,38 186,39 46,40 3.85,41 4.533,42 7.047,43 4.307,44 4.072,45 9.271,46 3.29,48 23.928,49 6.254,50 1.021,51 4,52 15.805,53 0.212,54 9.059,55 9.059,56 1.452,57 4.626,58 4.626,59 23.664,60 182,61 2,62 4.379,63 46.154,64 1,65 3.779,66 7.993,67 7.993,68 5.294,69 18.011,70 5.699}
{0 CHEMBL536288,13 2,14 26.654,16 18.904,17 1,18 15.237,19 15.237,20 15.237,21 3,22 12.912,24 1,25 11.304,26 16.896,28 2,29 14.915,33 12.971,34 8.162,35 10.602,36 52.605,37 5.943,38 190,39 47,40 3.871,41 4.554,42 7.064,43 4.427,44 4.188,45 9.271,46 3.32,48 27.048,49 6.254,50 1.051,51 4,52 17.828,53 0.209,54 9.059,55 9.059,56 1.442,57 4.626,58 4.626,59 23.665,60 195,61 2,62 4.484,63 47.915,64 1,65 3.813,66 7.993,67 7.993,68 5.432,69 18.011,70 6.569}
{0 CHEMBL536298,13 2,14 26.804,16 18.949,17 1,18 15.237,19 15.237,20 15.237,21 4,22 13.11,24 1.156,25 11.382,26 16.956,28 2.255,29 14.993,33 13.069,34 8.25,35 10.683,36 58.213,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.198,43 4.359,44 4.17,45 9.362,46 3.307,48 24.927,49 6.254,50 1.5,51 4,52 16.651,53 0.199,54 9.06,55 9.06,56 1.421,57 4.626,58 4.626,59 23.665,60 195,61 2,62 4.479,63 47.086,64 1,65 3.832,66 7.993,67 7.993,68 5.335,69 18.011,70 6.886}
{0 CHEMBL536743,13 2,14 27.403,16 18.965,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.138,24 1.499,25 11.411,26 16.978,28 2.5,29 15.021,33 13.104,34 8.274,35 10.714,36 63.79,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.29,43 4.51,44 4.343,45 9.383,46 3.413,48 27.514,49 6.259,50 1.5,51 4,52 18.706,53 0.187,54 9.111,55 9.111,56 1.387,57 4.626,58 4.626,59 23.665,60 234,61 2,62 4.594,63 51.609,64 1,65 3.935,66 7.993,67 7.993,68 5.448,69 18.011,70 6.77}
{0 CHEMBL536751,11 1,13 3,14 26.889,16 19.026,17 1,18 15.246,19 15.246,20 15.246,21 4,22 13.166,24 1.241,25 11.456,26 17.04,28 2.32,29 15.081,33 13.158,34 8.323,35 10.757,36 60.137,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.244,43 4.388,44 4.211,45 9.445,46 3.307,48 25.497,49 6.57,50 1.5,51 4,52 17.075,53 0.198,54 10.128,55 10.128,56 1.409,57 4.631,58 4.631,59 23.699,60 208,61 2,62 4.499,63 47.54,64 1,65 3.845,66 7.995,67 7.995,68 5.388,69 60.694,70 6.398}
{0 CHEMBL536754,11 1,13 3,14 27.487,16 19.049,17 1,18 15.246,19 15.246,20 15.246,21 5,22 13.194,24 1.5,25 11.495,26 17.066,28 2.5,29 15.112,33 13.194,34 8.352,35 10.791,36 65.814,37 6.196,38 245,39 60,40 4.111,41 4.796,42 7.331,43 4.535,44 4.378,45 9.469,46 3.417,48 28.069,49 6.613,50 1.5,51 4,52 19.147,53 0.186,54 10.352,55 10.352,56 1.354,57 4.631,58 4.631,59 23.703,60 247,61 2,62 4.615,63 52.063,64 1,65 3.948,66 7.995,67 7.995,68 5.495,69 60.694,70 8.535}
{0 CHEMBL537424,13 2,14 26.804,16 18.949,17 1,18 15.237,19 15.237,20 15.237,21 4,22 13.11,24 1.156,25 11.382,26 16.956,28 2.255,29 14.993,33 13.069,34 8.25,35 10.683,36 58.213,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.198,43 4.359,44 4.17,45 9.362,46 3.307,48 24.927,49 6.254,50 1.5,51 4,52 16.651,53 0.199,54 9.06,55 9.06,56 1.421,57 4.626,58 4.626,59 23.665,60 195,61 2,62 4.479,63 47.086,64 1,65 3.832,66 7.993,67 7.993,68 5.335,69 18.011,70 6.496}
{0 CHEMBL537425,13 2,14 27.049,16 18.921,17 1,18 15.237,19 15.237,20 15.237,21 4,22 12.943,24 1.02,25 11.334,26 16.918,28 2.109,29 14.944,33 13.008,34 8.187,35 10.634,36 57.095,37 6.033,38 208,39 51,40 3.951,41 4.635,42 7.152,43 4.465,44 4.261,45 9.295,46 3.357,48 26.845,49 6.259,50 1.132,51 4,52 17.968,53 0.197,54 9.11,55 9.11,56 1.425,57 4.626,58 4.626,59 23.665,60 221,61 2,62 4.506,63 50.677,64 1,65 3.888,66 7.993,67 7.993,68 5.411,69 18.011,70 6.318}
{0 CHEMBL538084,13 2,14 27.049,16 18.921,17 1,18 15.237,19 15.237,20 15.237,21 4,22 12.943,24 1.02,25 11.334,26 16.918,28 2.109,29 14.944,33 13.008,34 8.187,35 10.634,36 57.095,37 6.033,38 208,39 51,40 3.951,41 4.635,42 7.152,43 4.465,44 4.261,45 9.295,46 3.357,48 26.845,49 6.259,50 1.132,51 4,52 17.968,53 0.197,54 9.11,55 9.11,56 1.425,57 4.626,58 4.626,59 23.665,60 221,61 2,62 4.506,63 50.677,64 1,65 3.888,66 7.993,67 7.993,68 5.411,69 18.011,70 6.369}
{0 CHEMBL538336,11 1,13 3,14 26.848,16 18.955,17 1,18 15.237,19 15.237,20 15.237,21 4,22 13.129,24 1.273,25 11.392,26 16.965,28 2.336,29 15.006,33 13.087,34 8.269,35 10.696,36 60.328,37 6.089,38 220,39 55,40 4.025,41 4.71,42 7.231,43 4.392,44 4.218,45 9.381,46 3.309,48 25.417,49 6.254,50 1.5,51 6,52 17.04,53 0.198,54 9.061,55 9.061,56 1.223,57 4.626,58 4.626,59 23.665,60 208,61 2,62 4.503,63 47.54,64 1,65 3.845,66 7.993,67 7.993,68 5.396,69 60.694,70 5.523}
{0 CHEMBL539854,13 2,14 27.005,16 18.929,17 1,18 15.246,19 15.246,20 15.246,21 4,22 13.034,24 1,25 11.349,26 16.929,28 2,29 14.956,33 13.02,34 8.207,35 10.646,36 52.725,37 5.964,38 194,39 48,40 3.892,41 4.575,42 7.107,43 4.341,44 4.157,45 9.32,46 3.042,48 23.959,49 6.262,50 1.191,51 4,52 16.204,53 0.21,54 9.091,55 9.091,56 1.475,57 4.629,58 4.629,59 23.683,60 144,61 2,62 4.438,63 41.347,64 1,65 3.717,66 7.995,67 7.995,68 5.259,69 18.011,70 5.495}
{0 CHEMBL539943,13 4,16 18.601,17 1,18 13.111,19 13.111,20 13.111,21 7,22 12.958,24 1.307,25 11.231,26 16.7,28 2.33,29 14.818,33 12.959,34 8.139,35 10.597,36 57.441,37 6.075,38 217,39 53,40 3.989,41 4.673,42 7.206,43 4.448,44 4.257,45 9.291,46 3.129,48 25.465,49 6.788,50 1.448,51 3,52 17.699,53 0.196,54 11.201,55 11.201,56 1.267,57 4.45,58 4.45,59 20.594,60 154,62 4.492,63 45.171,65 3.83,66 7.302,67 7.302,68 5.266,70 7.481}
{0 CHEMBL540108,13 2,14 27.27,16 18.942,17 1,18 15.237,19 15.237,20 15.237,21 4,22 13.023,24 1,25 11.37,26 16.947,28 2,29 14.98,33 13.051,34 8.231,35 10.669,36 57.573,37 6.052,38 212,39 52,40 3.97,41 4.654,42 7.18,43 4.459,44 4.289,45 9.34,46 3.403,48 26.178,49 6.259,50 1.142,51 4,52 17.391,53 0.198,54 9.111,55 9.111,56 1.335,57 4.626,58 4.626,59 23.665,60 232,61 2,62 4.53,63 48.609,64 1,65 3.854,66 7.993,67 7.993,68 5.423,69 18.011,70 7.63}
{0 CHEMBL540366,13 2,14 26.72,16 18.984,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.093,24 0.831,25 11.414,26 16.992,28 1.932,29 15.027,33 13.097,34 8.278,35 10.711,36 54.683,37 6.009,38 203,39 50,40 3.932,41 4.615,42 7.157,43 4.315,44 4.133,45 9.395,46 3.25,48 23.351,49 6.254,50 1,51 4,52 15.319,53 0.208,54 9.242,55 9.242,56 1.137,57 4.626,58 4.626,59 23.665,60 144,61 2,62 4.382,63 42.779,64 1,65 3.738,66 7.993,67 7.993,68 5.312,69 18.011,70 6.758}
{0 CHEMBL556188,13 2,14 27.005,16 18.929,17 1,18 15.246,19 15.246,20 15.246,21 4,22 13.034,24 1,25 11.349,26 16.929,28 2,29 14.956,33 13.02,34 8.207,35 10.646,36 52.725,37 5.964,38 194,39 48,40 3.892,41 4.575,42 7.107,43 4.341,44 4.157,45 9.32,46 3.042,48 23.959,49 6.262,50 1.191,51 4,52 16.204,53 0.21,54 9.091,55 9.091,56 1.475,57 4.629,58 4.629,59 23.683,60 144,61 2,62 4.438,63 41.347,64 1,65 3.717,66 7.995,67 7.995,68 5.259,69 18.011,70 5.119}
{0 CHEMBL556314,13 1,14 25.403,16 18.886,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.35,24 1.5,25 11.4,26 16.965,28 2.5,29 15.061,33 13.181,34 8.31,35 10.74,36 63.974,37 6.176,38 240,39 59,40 4.094,41 4.779,42 7.324,43 4.344,44 4.189,45 9.458,46 3.181,47 1,48 23.028,49 6.858,50 1.5,51 8,52 15.767,53 0.191,54 11.226,55 11.226,56 1.104,57 4.41,58 4.41,59 20.59,60 153,62 4.545,63 48.876,64 1,65 3.884,66 7.472,67 7.472,68 5.236,70 8.475}
{0 CHEMBL556798,13 2,14 27.319,16 18.999,17 1,18 15.237,19 15.237,20 15.237,21 6,22 13.121,24 1,25 11.442,26 17.012,28 2,29 15.053,33 13.131,34 8.301,35 10.741,36 60.249,37 6.111,38 225,39 55,40 4.025,41 4.71,42 7.252,43 4.472,44 4.311,45 9.416,46 3.284,48 26.071,49 6.26,50 1.142,51 4,52 17.452,53 0.194,54 9.243,55 9.243,56 1.111,57 4.626,58 4.626,59 23.665,60 174,61 2,62 4.509,63 47.302,64 1,65 3.852,66 7.993,67 7.993,68 5.427,69 18.011,70 7.5}
{0 CHEMBL556995,13 2,14 26.804,16 18.949,17 1,18 15.237,19 15.237,20 15.237,21 4,22 13.11,24 1.156,25 11.382,26 16.956,28 2.255,29 14.993,33 13.069,34 8.25,35 10.683,36 58.213,37 6.061,38 214,39 53,40 3.989,41 4.673,42 7.198,43 4.359,44 4.17,45 9.362,46 3.307,48 24.927,49 6.254,50 1.5,51 4,52 16.651,53 0.199,54 9.06,55 9.06,56 1.421,57 4.626,58 4.626,59 23.665,60 195,61 2,62 4.479,63 47.086,64 1,65 3.832,66 7.993,67 7.993,68 5.335,69 18.011,70 7.518}
{0 CHEMBL557015,13 2,14 27.183,16 18.941,17 1,18 15.237,19 15.237,20 15.237,21 4,22 13.012,24 1,25 11.365,26 16.944,28 2,29 14.977,33 13.046,34 8.231,35 10.664,36 55.003,37 6.014,38 204,39 50,40 3.932,41 4.615,42 7.149,43 4.417,44 4.246,45 9.339,46 3.151,48 25.06,49 6.259,50 1,51 4,52 16.577,53 0.204,54 9.111,55 9.111,56 1.234,57 4.626,58 4.626,59 23.665,60 188,61 2,62 4.472,63 45.847,64 1,65 3.799,66 7.993,67 7.993,68 5.389,69 18.011,70 6.921}
{0 CHEMBL557150,13 2,14 26.6,16 18.949,17 1,18 15.237,19 15.237,20 15.237,21 4,22 13.108,24 1.059,25 11.381,26 16.956,28 2.203,29 14.992,33 13.067,34 8.25,35 10.681,36 57.103,37 6.043,38 210,39 52,40 3.97,41 4.654,42 7.183,43 4.23,44 4.052,45 9.362,46 3.274,48 21.672,49 6.254,50 1.439,51 4,52 14.523,53 0.202,54 9.06,55 9.06,56 1.432,57 4.626,58 4.626,59 23.664,60 182,61 2,62 4.374,63 45.324,64 1,65 3.798,66 7.993,67 7.993,68 5.183,69 18.011,70 6.301}
{0 CHEMBL557199,13 2,14 26.48,16 18.905,17 1,18 15.237,19 15.237,20 15.237,21 3,22 12.899,24 0.217,25 11.303,26 16.896,28 1.316,29 14.911,33 12.962,34 8.162,35 10.597,36 46.231,37 5.832,38 170,39 42,40 3.761,41 4.443,42 6.974,43 4.193,44 3.975,45 9.274,46 3.041,48 21.497,49 6.254,50 0.709,51 4,52 14.032,53 0.227,54 9.06,55 9.06,56 1.454,57 4.626,58 4.626,59 23.665,60 120,61 2,62 4.306,63 39.108,64 1,65 3.628,66 7.993,67 7.993,68 5.201,69 18.011,70 6.149}
{0 CHEMBL557789,11 1,13 3,14 26.889,16 19.026,17 1,18 15.246,19 15.246,20 15.246,21 4,22 13.166,24 1.241,25 11.456,26 17.04,28 2.32,29 15.081,33 13.158,34 8.323,35 10.757,36 60.137,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.244,43 4.388,44 4.211,45 9.445,46 3.307,48 25.497,49 6.57,50 1.5,51 4,52 17.075,53 0.198,54 10.128,55 10.128,56 1.409,57 4.631,58 4.631,59 23.699,60 208,61 2,62 4.499,63 47.54,64 1,65 3.845,66 7.995,67 7.995,68 5.388,69 60.694,70 6.678}
{0 CHEMBL558043,11 1,13 3,14 26.889,16 19.026,17 1,18 15.246,19 15.246,20 15.246,21 4,22 13.166,24 1.241,25 11.456,26 17.04,28 2.32,29 15.081,33 13.158,34 8.323,35 10.757,36 60.137,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.244,43 4.388,44 4.211,45 9.445,46 3.307,48 25.497,49 6.57,50 1.5,51 4,52 17.075,53 0.198,54 10.128,55 10.128,56 1.409,57 4.631,58 4.631,59 23.699,60 208,61 2,62 4.499,63 47.54,64 1,65 3.845,66 7.995,67 7.995,68 5.388,69 60.694,70 6.824}
{0 CHEMBL559168,11 1,13 3,14 26.889,16 19.026,17 1,18 15.246,19 15.246,20 15.246,21 4,22 13.166,24 1.241,25 11.456,26 17.04,28 2.32,29 15.081,33 13.158,34 8.323,35 10.757,36 60.137,37 6.103,38 223,39 55,40 4.025,41 4.71,42 7.244,43 4.388,44 4.211,45 9.445,46 3.307,48 25.497,49 6.57,50 1.5,51 4,52 17.075,53 0.198,54 10.128,55 10.128,56 1.409,57 4.631,58 4.631,59 23.699,60 208,61 2,62 4.499,63 47.54,64 1,65 3.845,66 7.995,67 7.995,68 5.388,69 60.694,70 7.279}
{0 CHEMBL56565,13 1,14 13.18,16 18.852,18 12.506,19 12.506,20 12.506,21 6,22 13.439,24 1.5,25 11.346,26 16.948,28 2.5,29 15.061,33 13.197,34 8.359,35 10.812,36 67.586,37 6.225,38 252,39 64,40 4.174,41 4.86,42 7.378,43 4.225,44 4.16,45 9.551,46 3.305,48 16.942,49 7.111,50 1.669,51 4,52 13.46,53 0.186,54 11.659,55 11.659,56 0.774,57 4.31,58 4.31,59 19.838,60 230,62 4.314,63 48.512,65 3.911,66 7.307,67 7.307,68 5.099,69 18.011,70 8.824}
{0 CHEMBL58004,13 1,14 25.301,16 18.886,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.35,24 1.5,25 11.4,26 16.965,28 2.5,29 15.061,33 13.181,34 8.31,35 10.74,36 63.974,37 6.176,38 240,39 59,40 4.094,41 4.779,42 7.324,43 4.323,44 4.175,45 9.458,46 3.178,47 1,48 22.31,49 6.858,50 1.5,51 8,52 15.22,53 0.191,54 11.226,55 11.226,56 0.974,57 4.41,58 4.41,59 20.59,60 153,62 4.521,63 48.12,64 2,65 3.868,66 7.472,67 7.472,68 5.214,70 7.876}
{0 CHEMBL58101,13 2,14 13.219,16 18.312,17 1,18 11.162,19 11.162,20 11.162,21 5,22 13.029,24 1.5,25 10.979,26 16.464,28 2.5,29 14.631,33 12.82,34 7.842,35 10.262,36 59.356,37 6.094,38 221,39 54,40 4.007,41 4.691,42 7.217,43 4.218,44 4.033,45 8.978,46 3.105,47 1,48 21.823,49 6.782,50 1.5,51 8,52 14.875,53 0.194,54 10.981,55 10.981,56 1.363,57 4.15,58 4.15,59 18.309,60 147,62 4.495,63 47.415,64 1,65 3.856,66 6.786,67 6.786,68 5.159,70 7.585}
{0 CHEMBL58109,13 2,14 25.248,16 18.397,17 1,18 11.231,19 11.231,20 11.231,21 5,22 13.167,24 1.5,25 11.051,26 16.546,28 2.5,29 14.711,33 12.896,34 7.915,35 10.338,36 62.014,37 6.129,38 229,39 56,40 4.043,41 4.727,42 7.258,43 4.216,44 4.045,45 9.062,46 3.14,47 1,48 21.348,49 6.782,50 1.5,51 8,52 14.532,53 0.192,54 11.162,55 11.162,56 1.173,57 4.189,58 4.189,59 18.543,60 146,62 4.488,63 47.114,64 1,65 3.852,66 6.859,67 6.859,68 5.172,70 6.914}
{0 CHEMBL58176,13 1,14 13.481,16 18.863,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.26,24 1.5,25 11.388,26 16.94,28 2.5,29 15.035,33 13.154,34 8.298,35 10.715,36 64.149,37 6.184,38 242,39 59,40 4.094,41 4.779,42 7.322,43 4.434,44 4.26,45 9.425,46 3.166,47 1,48 26.524,49 6.839,50 1.5,51 8,52 18.063,53 0.188,54 11.277,55 11.277,56 0.825,57 4.41,58 4.41,59 20.566,60 154,62 4.594,63 50.086,64 1,65 3.905,66 7.472,67 7.472,68 5.349,70 7.377}
{0 CHEMBL58248,13 1,14 25.465,16 18.852,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.424,24 1.5,25 11.379,26 16.942,28 2.5,29 15.052,33 13.187,34 8.313,35 10.735,36 70.779,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.382,43 4.538,44 4.383,45 9.461,46 3.22,48 27.544,49 6.858,50 1.5,51 8,52 18.946,53 0.185,54 11.226,55 11.226,56 1.08,57 4.41,58 4.41,59 20.588,60 224,62 4.664,63 51.881,64 1,65 3.944,66 7.472,67 7.472,68 5.397,70 6.655}
{0 CHEMBL58387,13 1,14 13.283,16 18.835,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.236,24 1.5,25 11.35,26 16.912,28 2.5,29 15.006,33 13.124,34 8.261,35 10.689,36 61.269,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.287,43 4.329,44 4.167,45 9.402,46 3.155,47 1,48 22.812,49 6.784,50 1.5,51 8,52 15.555,53 0.193,54 11.158,55 11.158,56 1.137,57 4.41,58 4.41,59 20.558,60 154,62 4.528,63 48.421,64 1,65 3.872,66 7.472,67 7.472,68 5.202,70 8.799}
{0 CHEMBL58441,13 1,14 13.154,16 18.835,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.236,24 1.5,25 11.35,26 16.912,28 2.5,29 15.006,33 13.124,34 8.261,35 10.689,36 62.004,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.287,43 4.283,44 4.136,45 9.402,46 3.166,47 1,48 20.126,49 6.784,50 1.5,51 8,52 14.381,53 0.193,54 11.158,55 11.158,56 0.89,57 4.409,58 4.409,59 20.558,60 154,62 4.478,63 47.37,64 1,65 3.859,66 7.472,67 7.472,68 5.075,70 8.456}
{0 CHEMBL58897,13 1,14 13.163,16 18.948,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.296,24 1,25 11.393,26 17.014,28 2,29 15.096,33 13.201,34 8.39,35 10.83,36 57.039,37 6.075,38 217,39 55,40 4.025,41 4.71,42 7.249,43 4.093,44 3.98,45 9.567,46 3.101,48 17.532,49 7.111,50 1.266,51 8,52 12.42,53 0.205,54 11.657,55 11.657,56 0.822,57 4.408,58 4.408,59 20.542,60 162,62 4.242,63 43.228,64 1,65 3.775,66 7.472,67 7.472,68 5.033,69 18.011,70 7.564}
{0 CHEMBL59101,13 1,14 13.102,16 18.766,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.159,24 1.5,25 11.279,26 16.843,28 2.5,29 14.939,33 13.059,34 8.197,35 10.628,36 59.481,37 6.107,38 224,39 55,40 4.025,41 4.71,42 7.248,43 4.298,44 4.136,45 9.336,46 3.166,47 1,48 21.745,49 6.781,50 1.5,51 8,52 14.952,53 0.194,54 11.158,55 11.158,56 1.333,57 4.409,58 4.409,59 20.547,60 159,62 4.492,63 47.415,64 1,65 3.856,66 7.472,67 7.472,68 5.149,70 7.359}
{0 CHEMBL59285,13 1,14 13.251,16 18.722,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.233,24 1.5,25 11.243,26 16.809,28 2.5,29 14.916,33 13.051,34 8.187,35 10.614,36 61.213,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.279,43 4.219,44 4.068,45 9.332,46 3.165,48 19.926,49 6.784,50 1.5,51 8,52 13.631,53 0.193,54 10.975,55 10.975,56 1.238,57 4.408,58 4.408,59 20.542,60 202,62 4.342,63 49.177,64 1,65 3.892,66 7.472,67 7.472,68 5.075,69 18.011,70 6.337}
{0 CHEMBL592918,13 2,14 53.638,16 19.385,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.625,24 1.5,25 11.747,26 17.379,28 2.523,29 15.394,33 13.438,34 8.626,35 11.091,36 70.2,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.405,43 4.676,44 4.48,45 9.769,46 3.442,48 32.808,49 7.667,50 1.563,51 4,52 23.522,53 0.183,54 13.622,55 13.622,56 1.374,57 4.626,58 4.626,59 23.665,60 221,61 2,62 4.71,63 55.472,64 2,65 4.014,66 7.993,67 7.993,68 5.58,69 18.011,70 7.066}
{0 CHEMBL592940,13 3,14 26.421,16 19.129,17 1,18 14.276,19 14.276,20 14.276,21 7,22 13.472,24 1.5,25 11.661,26 17.199,28 2.5,29 15.288,33 13.4,34 8.594,35 11.07,36 70.832,37 6.304,38 273,39 68,40 4.234,41 4.92,42 7.506,43 4.56,44 4.413,45 9.793,46 3.255,48 26.913,49 6.798,50 1.63,51 6,52 18.986,53 0.183,54 11.05,55 11.05,56 1.104,57 4.571,58 4.571,59 21.837,60 204,62 4.599,63 50.518,64 3,65 3.948,66 7.694,67 7.694,68 5.429,70 7.553}
{0 CHEMBL592944,9 1,13 2,14 27.452,16 18.977,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.193,24 1.5,25 11.43,26 16.994,28 2.5,29 15.043,33 13.134,34 8.301,35 10.737,36 66.92,37 6.205,38 247,39 61,40 4.127,41 4.812,42 7.336,43 4.628,44 4.45,45 9.412,46 3.424,48 31.418,49 6.259,50 1.5,51 4,52 21.396,53 0.183,54 9.11,55 9.11,56 1.208,57 4.626,58 4.626,59 23.665,60 256,61 2,62 4.682,63 53.824,64 1,65 3.977,66 7.993,67 7.993,68 5.578,69 60.694,70 7.377}
{0 CHEMBL592993,13 3,14 26.511,16 19.342,17 1,18 14.276,19 14.276,20 14.276,21 7,22 13.657,24 1.632,25 11.839,26 17.408,28 2.62,29 15.489,33 13.591,34 8.801,35 11.279,36 77.207,37 6.402,38 301,39 76,40 4.344,41 5.03,42 7.616,43 4.601,44 4.485,45 10.011,46 3.277,48 27.022,49 7.134,50 1.873,51 6,52 19.768,53 0.178,54 11.808,55 11.808,56 0.802,57 4.571,58 4.571,59 21.837,60 242,62 4.622,63 52.092,64 3,65 3.999,66 7.694,67 7.694,68 5.468,70 7.523}
{0 CHEMBL592997,13 3,14 26.465,16 19.129,17 1,18 14.276,19 14.276,20 14.276,21 7,22 13.472,24 1.5,25 11.661,26 17.199,28 2.5,29 15.288,33 13.4,34 8.594,35 11.07,36 70.832,37 6.304,38 273,39 68,40 4.234,41 4.92,42 7.506,43 4.579,44 4.427,45 9.793,46 3.262,48 27.784,49 6.798,50 1.63,51 6,52 19.707,53 0.183,54 11.05,55 11.05,56 1.14,57 4.571,58 4.571,59 21.837,60 204,62 4.623,63 51.273,64 2,65 3.963,66 7.694,67 7.694,68 5.441,70 7.622}
{0 CHEMBL593027,13 3,14 26.599,16 19.148,17 1,18 14.276,19 14.276,20 14.276,21 7,22 13.555,24 1.5,25 11.69,26 17.222,28 2.621,29 15.315,33 13.432,34 8.624,35 11.096,36 76.46,37 6.347,38 285,39 71,40 4.277,41 4.963,42 7.547,43 4.613,44 4.471,45 9.821,46 3.286,48 27.958,49 6.808,50 1.635,51 6,52 20.061,53 0.18,54 11.1,55 11.1,56 1.127,57 4.571,58 4.571,59 21.837,60 252,62 4.641,63 52.518,64 2,65 3.991,66 7.694,67 7.694,68 5.453,70 7.77}
{0 CHEMBL593042,13 3,14 26.174,16 19.168,17 1,18 14.277,19 14.277,20 14.277,21 7,22 13.573,24 1.492,25 11.716,26 17.237,28 2.5,29 15.325,33 13.437,34 8.624,35 11.142,36 73.912,37 6.319,38 277,39 69,40 4.248,41 4.934,42 7.564,43 4.518,44 4.378,45 9.861,46 3.276,48 25.783,49 6.903,50 1.5,51 6,52 18.125,53 0.184,54 11.636,55 11.636,56 0.879,57 4.573,58 4.573,59 21.849,60 228,62 4.561,63 48.995,64 2,65 3.933,66 7.694,67 7.694,68 5.352,70 7.62}
{0 CHEMBL593046,13 3,14 26.555,16 19.342,17 1,18 14.276,19 14.276,20 14.276,21 7,22 13.657,24 1.632,25 11.839,26 17.408,28 2.62,29 15.489,33 13.591,34 8.801,35 11.279,36 77.207,37 6.402,38 301,39 76,40 4.344,41 5.03,42 7.616,43 4.62,44 4.497,45 10.011,46 3.29,48 27.927,49 7.134,50 1.873,51 6,52 20.481,53 0.178,54 11.808,55 11.808,56 0.887,57 4.571,58 4.571,59 21.837,60 242,62 4.645,63 52.847,64 2,65 4.012,66 7.694,67 7.694,68 5.48,70 7.678}
{0 CHEMBL593080,13 3,14 26.13,16 19.359,17 1,18 14.277,19 14.277,20 14.277,21 7,22 13.674,24 1.5,25 11.862,26 17.42,28 2.5,29 15.497,33 13.595,34 8.801,35 11.317,36 74.606,37 6.375,38 293,39 74,40 4.317,41 5.004,42 7.632,43 4.526,44 4.408,45 10.043,46 3.281,48 25.737,49 7.134,50 1.862,51 6,52 18.55,53 0.182,54 11.808,55 11.808,56 0.746,57 4.573,58 4.573,59 21.849,60 220,62 4.564,63 49.324,64 2,65 3.955,66 7.694,67 7.694,68 5.381,70 7.658}
{0 CHEMBL593111,13 2,14 27.439,15 1,16 18.977,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.193,24 1.5,25 11.43,26 16.994,28 2.5,29 15.043,33 13.134,34 8.301,35 10.737,36 67.174,37 6.205,38 247,39 61,40 4.127,41 4.812,42 7.336,43 4.617,44 4.441,45 9.412,46 3.424,48 31.113,49 6.259,50 1.5,51 4,52 21.44,53 0.183,54 9.11,55 9.11,56 1.119,57 4.626,58 4.626,59 23.665,60 256,61 2,62 4.676,63 53.307,64 1,65 3.972,66 7.993,67 7.993,68 5.573,69 18.011,70 7.036}
{0 CHEMBL593177,13 2,14 27.498,16 18.984,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.204,24 1.5,25 11.44,26 17.003,28 2.5,29 15.054,33 13.147,34 8.314,35 10.746,36 68.224,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.353,43 4.651,44 4.476,45 9.421,46 3.424,48 31.839,49 6.259,50 1.5,51 4,52 21.692,53 0.181,54 9.11,55 9.11,56 1.22,57 4.626,58 4.626,59 23.665,60 281,61 2,62 4.692,63 55.586,64 1,65 4.001,66 7.993,67 7.993,68 5.589,69 18.011,70 6.886}
{0 CHEMBL593184,13 3,14 26.291,16 19.227,17 1,18 14.276,19 14.276,20 14.276,21 7,22 13.546,24 1.5,25 11.722,26 17.288,28 2.5,29 15.367,33 13.469,34 8.637,35 11.134,36 72.747,37 6.333,38 281,39 70,40 4.263,41 4.949,42 7.53,43 4.527,44 4.406,45 9.857,46 3.263,48 25.545,49 7.134,50 1.723,51 2,52 18.024,53 0.182,54 11.808,55 11.808,56 0.678,57 4.571,58 4.571,59 21.837,60 199,62 4.552,63 49.148,64 3,65 3.934,66 7.694,67 7.694,68 5.389,70 7.228}
{0 CHEMBL593195,13 3,14 26.086,16 19.359,17 1,18 14.277,19 14.277,20 14.277,21 7,22 13.674,24 1.5,25 11.862,26 17.42,28 2.5,29 15.497,33 13.595,34 8.801,35 11.317,36 74.606,37 6.375,38 293,39 74,40 4.317,41 5.004,42 7.632,43 4.505,44 4.394,45 10.043,46 3.265,48 24.82,49 7.134,50 1.862,51 6,52 17.835,53 0.182,54 11.808,55 11.808,56 0.658,57 4.573,58 4.573,59 21.849,60 220,62 4.539,63 48.569,64 3,65 3.941,66 7.694,67 7.694,68 5.368,70 6.775}
{0 CHEMBL593204,13 2,14 27.479,16 18.977,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.193,24 1.5,25 11.43,26 16.994,28 2.5,29 15.043,33 13.134,34 8.301,35 10.737,36 66.891,37 6.205,38 247,39 61,40 4.127,41 4.812,42 7.336,43 4.657,44 4.47,45 9.412,46 3.424,48 32.284,49 6.259,50 1.5,51 4,52 22.019,53 0.183,54 9.11,55 9.11,56 1.338,57 4.626,58 4.626,59 23.665,60 256,61 2,62 4.699,63 55.131,64 1,65 3.993,66 7.993,67 7.993,68 5.588,69 18.011,70 7.102}
{0 CHEMBL593205,1 2,6 2,7 1,8 1,9 1,11 1,13 2,14 38.579,16 19.016,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.271,24 1.5,25 11.472,26 17.04,28 2.523,29 15.096,30 2,31 2,32 2,33 13.191,34 8.35,35 10.781,36 70.596,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.385,43 4.656,44 4.488,45 9.465,46 3.424,48 32.027,49 6.259,50 1.598,51 4,52 21.889,53 0.18,54 9.11,55 9.11,56 1.16,57 4.626,58 4.626,59 23.665,60 268,61 2,62 4.698,63 55.279,64 1,65 4.009,66 7.993,67 7.993,68 5.59,69 60.694,70 7.886}
{0 CHEMBL59328,13 1,14 13.495,16 18.857,17 1,18 13.189,19 13.189,20 13.189,21 7,22 13.341,24 1.5,25 11.388,26 16.937,28 2.5,29 15.036,33 13.159,34 8.292,35 10.723,36 65.874,37 6.217,38 250,39 61,40 4.127,41 4.812,42 7.358,43 4.415,44 4.252,45 9.426,46 3.401,47 1,48 24.028,49 6.781,50 1.683,51 8,52 16.789,53 0.183,54 11.158,55 11.158,56 1.342,57 4.409,58 4.409,59 20.619,60 172,62 4.57,63 50.415,64 1,65 3.937,66 7.472,67 7.472,68 5.23,70 8.242}
{0 CHEMBL593442,16 17.78,18 11.376,19 11.376,20 11.376,21 6,22 12.857,24 -1.882,25 10.422,26 15.918,28 -0.006,29 14.069,33 12.239,34 7.273,35 9.709,36 27.195,37 5.371,38 107,39 26,40 3.296,41 3.97,42 6.521,43 2.11,44 1.753,45 8.432,46 2.583,48 3.454,49 6.218,50 -1.795,52 2.385,53 0.287,54 9.07,55 9.07,56 0.995,57 4.216,58 4.216,59 18.867,60 26,62 2.569,63 19.818,65 3.054,66 6.852,67 6.852,68 3.143,70 5.593}
{0 CHEMBL593520,13 3,14 25.995,16 19.149,17 1,18 14.277,19 14.277,20 14.277,21 7,22 13.492,24 1.485,25 11.688,26 17.215,28 2.491,29 15.298,33 13.405,34 8.594,35 11.118,36 68.092,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.523,43 4.459,44 4.315,45 9.834,46 3.232,48 24.717,49 6.903,50 1.5,51 6,52 17.067,53 0.188,54 11.636,55 11.636,56 0.853,57 4.573,58 4.573,59 21.849,60 182,62 4.515,63 46.995,64 3,65 3.888,66 7.694,67 7.694,68 5.325,70 7.278}
{0 CHEMBL59358,13 1,14 25.591,16 18.978,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.521,24 1.5,25 11.517,26 17.073,28 2.5,29 15.185,33 13.32,34 8.441,35 10.857,36 74.737,37 6.333,38 281,39 69,40 4.248,41 4.934,42 7.479,43 4.691,44 4.582,45 9.589,46 3.203,48 30.415,49 6.858,50 1.695,51 8,52 21.218,53 0.179,54 11.226,55 11.226,56 0.887,57 4.41,58 4.41,59 20.588,60 222,62 4.79,63 57.285,64 1,65 4.025,66 7.472,67 7.472,68 5.588,70 6}
{0 CHEMBL593605,13 2,14 27.443,16 18.965,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.141,24 1.5,25 11.412,26 16.978,28 2.5,29 15.022,33 13.106,34 8.274,35 10.716,36 64.967,37 6.176,38 240,39 59,40 4.094,41 4.779,42 7.303,43 4.619,44 4.43,45 9.383,46 3.424,48 31.406,49 6.259,50 1.5,51 4,52 21.395,53 0.185,54 9.11,55 9.11,56 1.353,57 4.626,58 4.626,59 23.665,60 231,61 2,62 4.677,63 53.37,64 1,65 3.965,66 7.993,67 7.993,68 5.565,69 18.011,70 5}
{0 CHEMBL594208,13 3,14 39.713,16 19.347,17 1,18 14.547,19 14.547,20 14.547,21 7,22 13.673,24 1.414,25 11.774,26 17.372,28 2.414,29 15.415,33 13.483,34 8.657,35 11.169,36 67.472,37 6.271,38 264,39 65,40 4.19,41 4.875,42 7.467,43 4.566,44 4.395,45 9.87,46 3.344,48 27.124,49 7.533,50 1.5,51 2,52 19.668,53 0.187,54 13.233,55 13.233,56 1.413,57 4.643,58 4.643,59 22.75,60 174,62 4.604,63 49.983,64 5,65 3.929,66 7.804,67 7.804,68 5.389,70 6.339}
{0 CHEMBL594914,13 2,14 26.341,16 19.151,17 1,18 14.095,19 14.095,20 14.095,21 6,22 13.433,24 1.414,25 11.617,26 17.206,28 2.414,29 15.277,33 13.372,34 8.556,35 11.02,36 65.611,37 6.209,38 248,39 62,40 4.143,41 4.828,42 7.363,43 4.573,44 4.388,45 9.747,46 3.243,48 29.273,49 7.175,50 1.5,51 2,52 19.57,53 0.194,54 11.815,55 11.815,56 1.429,57 4.536,58 4.536,59 21.782,60 164,62 4.637,63 49.643,64 3,65 3.894,66 7.661,67 7.661,68 5.458,70 5.712}
{0 CHEMBL59492,13 1,14 13.165,16 18.618,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.021,24 1,25 11.109,26 16.691,28 2,29 14.785,33 12.907,34 8.059,35 10.489,36 51.923,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.102,43 4.126,44 3.936,45 9.206,46 3.101,48 19.487,49 6.784,50 1,51 8,52 13.058,53 0.21,54 10.975,55 10.975,56 1.224,57 4.408,58 4.408,59 20.541,60 156,62 4.279,63 43.415,64 1,65 3.749,66 7.472,67 7.472,68 5.074,69 18.011,70 6}
{0 CHEMBL59511,13 1,14 25.469,16 18.854,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.425,24 1.5,25 11.383,26 16.944,28 2.615,29 15.054,33 13.189,34 8.313,35 10.738,36 70.93,37 6.236,38 255,39 63,40 4.159,41 4.844,42 7.382,43 4.566,44 4.416,45 9.464,46 3.205,48 27.768,49 6.858,50 1.689,51 8,52 19.069,53 0.185,54 11.226,55 11.226,56 1.078,57 4.41,58 4.41,59 20.588,60 194,62 4.682,63 51.881,64 1,65 3.944,66 7.472,67 7.472,68 5.414,70 7.967}
{0 CHEMBL595559,13 2,14 26.204,15 1,16 19.019,17 1,18 13.995,19 13.995,20 13.995,21 6,22 13.425,24 1.487,25 11.554,26 17.098,28 2.531,29 15.196,33 13.319,34 8.527,35 10.948,36 69.889,37 6.26,38 261,39 66,40 4.205,41 4.89,42 7.419,43 4.6,44 4.426,45 9.69,46 3.291,48 30.96,49 6.798,50 1.689,51 2,52 20.653,53 0.188,54 11.05,55 11.05,56 0.797,57 4.501,58 4.501,59 21.458,60 196,62 4.718,63 53.103,64 3,65 3.961,66 7.643,67 7.643,68 5.55,70 6.47}
{0 CHEMBL595570,11 1,13 2,14 26.272,15 1,16 19.211,17 1,18 13.996,19 13.996,20 13.996,21 6,22 13.487,24 1.414,25 11.67,26 17.264,28 2.414,29 15.335,33 13.43,34 8.62,35 11.057,36 70.035,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.433,43 4.579,44 4.432,45 9.786,46 3.262,48 28.081,49 7.337,50 1.654,51 2,52 19.048,53 0.188,54 12.465,55 12.465,56 1.066,57 4.507,58 4.507,59 21.633,60 196,62 4.654,63 51.796,64 3,65 3.944,66 7.644,67 7.644,68 5.454,69 42.683,70 6.389}
{0 CHEMBL595584,13 2,14 26.371,15 1,16 19.174,17 1,18 13.996,19 13.996,20 13.996,21 6,22 13.551,24 1.414,25 11.654,26 17.237,28 2.61,29 15.32,33 13.426,34 8.606,35 11.05,36 74.687,37 6.297,38 271,39 68,40 4.234,41 4.92,42 7.459,43 4.621,44 4.472,45 9.785,46 3.291,48 28.832,49 7.181,50 1.653,51 2,52 19.895,53 0.186,54 11.841,55 11.841,56 1.117,57 4.505,58 4.505,59 21.539,60 240,62 4.68,63 53.342,64 2,65 3.975,66 7.644,67 7.644,68 5.455,70 7.628}
{0 CHEMBL595610,13 3,14 26.725,16 18.989,17 1,18 14.088,19 14.088,20 14.088,21 7,22 13.413,24 1.414,25 11.53,26 17.063,28 2.5,29 15.16,33 13.283,34 8.424,35 10.874,36 73.168,37 6.29,38 269,39 66,40 4.205,41 4.89,42 7.416,43 4.646,44 4.473,45 9.597,46 3.292,48 30.784,49 6.808,50 1.5,51 2,52 21.019,53 0.182,54 11.1,55 11.1,56 1.345,57 4.523,58 4.523,59 21.615,60 228,62 4.708,63 52.643,64 2,65 3.976,66 7.659,67 7.659,68 5.485,70 7.204}
{0 CHEMBL595760,13 2,14 26.195,15 1,16 19.155,17 1,18 13.996,19 13.996,20 13.996,21 6,22 13.468,24 1.414,25 11.624,26 17.215,28 2.414,29 15.292,33 13.393,34 8.576,35 11.023,36 68.676,37 6.252,38 259,39 65,40 4.19,41 4.875,42 7.414,43 4.568,44 4.415,45 9.756,46 3.262,48 27.675,49 7.181,50 1.651,51 2,52 18.812,53 0.19,54 11.841,55 11.841,56 1.085,57 4.505,58 4.505,59 21.539,60 185,62 4.639,63 51.342,64 3,65 3.932,66 7.644,67 7.644,68 5.431,70 6.889}
{0 CHEMBL595902,13 2,14 26.52,16 19.17,17 1,18 14.095,19 14.095,20 14.095,21 6,22 13.519,24 1.414,25 11.647,26 17.228,28 2.5,29 15.305,33 13.405,34 8.587,35 11.047,36 71.465,37 6.256,38 260,39 65,40 4.19,41 4.875,42 7.41,43 4.626,44 4.446,45 9.777,46 3.281,48 30.552,49 7.175,50 1.5,51 2,52 20.726,53 0.19,54 11.815,55 11.815,56 1.476,57 4.536,58 4.536,59 21.782,60 217,62 4.678,63 51.643,64 2,65 3.938,66 7.661,67 7.661,68 5.481,70 6.444}
{0 CHEMBL59602,13 2,14 13.139,16 18.312,17 1,18 11.162,19 11.162,20 11.162,21 5,22 13.029,24 1.5,25 10.979,26 16.464,28 2.5,29 14.631,33 12.82,34 7.842,35 10.262,36 59.356,37 6.094,38 221,39 54,40 4.007,41 4.691,42 7.217,43 4.178,44 4.005,45 8.978,46 3.057,47 1,48 20.426,49 6.782,50 1.5,51 8,52 13.795,53 0.194,54 10.981,55 10.981,56 1.076,57 4.138,58 4.138,59 18.309,60 147,62 4.443,63 45.904,64 2,65 3.824,66 6.786,67 6.786,68 5.11,70 7.264}
{0 CHEMBL596081,13 3,14 26.288,16 18.985,17 1,18 14.276,19 14.276,20 14.276,21 7,22 13.336,24 1.414,25 11.52,26 17.05,28 2.414,29 15.137,33 13.25,34 8.388,35 10.889,36 65.731,37 6.229,38 253,39 62,40 4.143,41 4.828,42 7.409,43 4.521,44 4.355,45 9.599,46 3.238,48 26.439,49 6.798,50 1.5,51 2,52 17.908,53 0.188,54 11.05,55 11.05,56 1.303,57 4.571,58 4.571,59 21.837,60 164,62 4.56,63 48.881,64 3,65 3.903,66 7.694,67 7.694,68 5.357,70 7.181}
{0 CHEMBL596165,13 2,14 27.465,16 18.965,17 1,18 15.237,19 15.237,20 15.237,21 5,22 13.141,24 1.5,25 11.412,26 16.978,28 2.5,29 15.022,33 13.106,34 8.274,35 10.716,36 67.069,37 6.176,38 240,39 59,40 4.094,41 4.779,42 7.303,43 4.659,44 4.447,45 9.383,46 3.424,48 32.545,49 6.259,50 1.5,51 4,52 23.442,53 0.185,54 9.11,55 9.11,56 1.444,57 4.626,58 4.626,59 23.665,60 231,61 2,62 4.699,63 54.563,64 1,65 3.983,66 7.993,67 7.993,68 5.56,69 18.011,70 6.77}
{0 CHEMBL596299,13 3,14 25.853,15 1,16 18.946,17 1,18 13.996,19 13.996,20 13.996,21 6,22 13.332,24 1.414,25 11.467,26 17.02,28 2.414,29 15.116,33 13.238,34 8.385,35 10.812,36 66.494,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.361,43 4.519,44 4.363,45 9.543,46 3.253,48 26.744,49 6.798,50 1.63,51 2,52 18.123,53 0.191,54 11.05,55 11.05,56 1.023,57 4.501,58 4.501,59 21.46,60 174,62 4.598,63 49.58,64 3,65 3.901,66 7.644,67 7.644,68 5.404,70 6.894}
{0 CHEMBL596519,13 3,14 26.547,16 18.966,17 1,18 14.088,19 14.088,20 14.088,21 7,22 13.317,24 1.414,25 11.496,26 17.036,28 2.414,29 15.128,33 13.246,34 8.388,35 10.841,36 67.521,37 6.244,38 257,39 63,40 4.159,41 4.844,42 7.37,43 4.593,44 4.415,45 9.561,46 3.262,48 29.546,49 6.798,50 1.5,51 2,52 19.902,53 0.185,54 11.05,55 11.05,56 1.296,57 4.523,58 4.523,59 21.615,60 174,62 4.669,63 50.643,64 3,65 3.933,66 7.659,67 7.659,68 5.462,70 6.689}
{0 CHEMBL596523,13 3,14 26.039,16 19.149,17 1,18 14.277,19 14.277,20 14.277,21 7,22 13.492,24 1.485,25 11.688,26 17.215,28 2.491,29 15.298,33 13.405,34 8.594,35 11.118,36 68.092,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.523,43 4.48,44 4.33,45 9.834,46 3.242,48 25.599,49 6.903,50 1.5,51 6,52 17.79,53 0.188,54 11.636,55 11.636,56 0.883,57 4.573,58 4.573,59 21.849,60 182,62 4.54,63 47.751,64 2,65 3.903,66 7.694,67 7.694,68 5.339,70 7.249}
{0 CHEMBL60225,13 1,14 13.356,16 18.79,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.264,24 1.5,25 11.316,26 16.877,28 2.5,29 14.985,33 13.118,34 8.25,35 10.675,36 64.498,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.33,43 4.579,44 4.383,45 9.396,46 3.184,48 28.881,49 6.784,50 1.5,51 8,52 21.39,53 0.189,54 10.975,55 10.975,56 1.209,57 4.409,58 4.409,59 20.555,60 172,62 4.703,63 52.29,64 1,65 3.939,66 7.472,67 7.472,68 5.384,70 8.423}
{0 CHEMBL60279,12 1,13 1,14 13.233,16 18.788,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.343,24 1.012,25 11.308,26 16.874,28 2.154,29 14.98,33 13.11,34 8.246,35 10.682,36 59.044,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.268,43 4.245,44 4.08,45 9.412,46 3.156,47 1,48 20.645,49 6.784,50 1.268,51 8,52 13.959,53 0.199,54 10.975,55 10.975,56 1.105,57 4.408,58 4.408,59 20.542,60 143,62 4.343,63 46.421,64 1,65 3.829,66 7.472,67 7.472,68 5.118,69 18.011,70 7.204}
{0 CHEMBL603325,13 3,14 26.256,16 18.948,17 1,18 14.271,19 14.271,20 14.271,21 7,22 13.32,24 1.414,25 11.492,26 17.015,28 2.414,29 15.105,33 13.224,34 8.364,35 10.866,36 66.815,37 6.24,38 256,39 63,40 4.159,41 4.844,42 7.418,43 4.532,44 4.362,45 9.574,46 3.275,48 27.347,49 6.798,50 1.5,51 2,52 18.414,53 0.185,54 11.05,55 11.05,56 1.095,57 4.567,58 4.567,59 21.773,60 180,62 4.596,63 50.643,64 3,65 3.933,66 7.693,67 7.693,68 5.393,70 6.866}
{0 CHEMBL604070,13 3,14 26.201,16 18.985,17 1,18 14.276,19 14.276,20 14.276,21 7,22 13.336,24 1.414,25 11.52,26 17.05,28 2.414,29 15.137,33 13.25,34 8.388,35 10.889,36 66.263,37 6.229,38 253,39 62,40 4.143,41 4.828,42 7.409,43 4.481,44 4.328,45 9.599,46 3.229,48 25.378,49 6.798,50 1.5,51 2,52 17.259,53 0.188,54 11.05,55 11.05,56 1.035,57 4.571,58 4.571,59 21.837,60 164,62 4.528,63 47.574,64 3,65 3.881,66 7.694,67 7.694,68 5.346,70 6.253}
{0 CHEMBL604375,13 2,14 25.112,15 1,16 18.899,17 1,18 13.995,19 13.995,20 13.995,21 6,22 13.288,24 1.414,25 11.42,26 16.97,28 2.414,29 15.062,33 13.182,34 8.34,35 10.766,36 62.809,37 6.168,38 238,39 59,40 4.094,41 4.779,42 7.311,43 4.412,44 4.251,45 9.492,46 3.182,48 24.958,49 6.798,50 1.469,51 2,52 16.789,53 0.195,54 11.05,55 11.05,56 0.787,57 4.5,58 4.5,59 21.455,60 154,62 4.512,63 46.057,64 3,65 3.838,66 7.643,67 7.643,68 5.35,70 5.602}
{0 CHEMBL604680,11 1,13 2,14 26.16,16 19.222,17 1,18 14.299,19 14.299,20 14.299,21 6,22 13.469,24 1.414,25 11.684,26 17.266,28 2.414,29 15.328,33 13.413,34 8.6,35 11.093,36 65.22,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.422,43 4.523,44 4.36,45 9.808,46 3.219,48 26.987,49 7.32,50 1.5,51 2,52 18.149,53 0.194,54 12.396,55 12.396,56 1.345,57 4.593,58 4.593,59 22.153,60 164,62 4.554,63 48.336,64 3,65 3.875,66 7.702,67 7.702,68 5.402,69 42.683,70 6.509}
{0 CHEMBL605727,13 2,14 26.083,16 19.167,17 1,18 14.292,19 14.292,20 14.292,21 6,22 13.45,24 1.414,25 11.638,26 17.217,28 2.414,29 15.285,33 13.376,34 8.556,35 11.06,36 63.852,37 6.192,38 244,39 61,40 4.127,41 4.812,42 7.403,43 4.512,44 4.333,45 9.779,46 3.219,48 27.1,49 7.164,50 1.5,51 2,52 18.15,53 0.196,54 11.766,55 11.766,56 1.438,57 4.588,58 4.588,59 22.07,60 154,62 4.542,63 47.881,64 3,65 3.862,66 7.699,67 7.699,68 5.385,70 6.73}
{0 CHEMBL60589,13 1,14 27.243,16 19.277,17 1,18 14.198,19 14.198,20 14.198,21 5,22 13.647,24 1.5,25 11.686,26 17.302,28 2.5,29 15.345,33 13.413,34 8.59,35 11.051,36 65.174,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.383,43 4.444,44 4.275,45 9.753,46 3.432,47 1,48 25.022,49 7.469,50 1.541,51 8,52 18.183,53 0.19,54 13.18,55 13.18,56 1.358,57 4.523,58 4.523,59 22.595,60 180,62 4.621,63 52.04,64 3,65 3.944,66 7.782,67 7.782,68 5.297,70 7.387}
{0 CHEMBL60711,12 1,13 1,14 13.336,16 18.858,17 1,18 13.189,19 13.189,20 13.189,21 7,22 13.343,24 1.5,25 11.387,26 16.938,28 2.5,29 15.036,33 13.157,34 8.292,35 10.732,36 64.618,37 6.201,38 246,39 60,40 4.111,41 4.796,42 7.338,43 4.359,44 4.204,45 9.438,46 3.34,47 2,48 22.411,49 6.781,50 1.598,51 8,52 15.563,53 0.186,54 11.158,55 11.158,56 1.221,57 4.409,58 4.409,59 20.622,60 176,62 4.511,63 48.66,64 1,65 3.901,66 7.472,67 7.472,68 5.176,69 16.786,70 6.548}
{0 CHEMBL61208,13 1,14 13.203,16 18.502,18 12.506,19 12.506,20 12.506,21 6,22 13.254,24 1.5,25 11.076,26 16.624,28 2.5,29 14.766,33 12.936,34 8.05,35 10.492,36 65.378,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.272,43 4.279,44 4.133,45 9.221,46 3.331,48 19.223,49 6.321,50 1.5,51 4,52 14.424,53 0.19,54 9.687,55 9.687,56 1.041,57 4.31,58 4.31,59 19.838,60 196,62 4.351,63 49.893,65 3.907,66 7.307,67 7.307,68 5.056,69 18.011,70 8.509}
{0 CHEMBL61267,14 13.137,16 18.285,18 11.903,19 11.903,20 11.903,21 6,22 13.202,24 1.5,25 10.966,26 16.443,28 2.5,29 14.617,33 12.814,34 7.974,35 10.373,36 58.977,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.217,43 4.155,44 4.034,45 9.11,46 3.193,48 16.941,49 6.321,50 1.5,52 12.082,53 0.194,54 9.687,55 9.687,56 1.03,57 4.208,58 4.208,59 18.398,60 179,62 4.248,63 46.483,65 3.847,66 6.994,67 6.994,68 4.96,69 18.011,70 7.367}
{0 CHEMBL61373,13 1,14 13.681,16 18.922,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.413,24 1.615,25 11.462,26 17.009,28 2.594,29 15.115,33 13.244,34 8.367,35 10.798,36 72.035,37 6.304,38 273,39 67,40 4.22,41 4.905,42 7.447,43 4.478,44 4.342,45 9.509,46 3.541,47 1,48 25.42,49 6.802,50 1.761,51 8,52 17.371,53 0.177,54 11.159,55 11.159,56 1.08,57 4.41,58 4.41,59 20.564,60 242,62 4.672,63 54.432,64 2,65 4,66 7.472,67 7.472,68 5.355,70 8.102}
{0 CHEMBL61374,13 1,14 13.691,16 18.922,17 1,18 13.189,19 13.189,20 13.189,21 6,22 13.413,24 1.615,25 11.462,26 17.009,28 2.594,29 15.115,33 13.244,34 8.367,35 10.798,36 72.035,37 6.304,38 273,39 67,40 4.22,41 4.905,42 7.447,43 4.504,44 4.36,45 9.509,46 3.544,47 1,48 26.417,49 6.802,50 1.761,51 8,52 18.293,53 0.177,54 11.159,55 11.159,56 1.157,57 4.41,58 4.41,59 20.564,60 242,62 4.69,63 55.188,64 2,65 4.014,66 7.472,67 7.472,68 5.364,70 7.638}
{0 CHEMBL61424,13 1,14 13.243,16 18.835,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.236,24 1.5,25 11.35,26 16.912,28 2.5,29 15.006,33 13.124,34 8.261,35 10.689,36 61.269,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.287,43 4.308,44 4.152,45 9.402,46 3.129,47 1,48 22.098,49 6.784,50 1.5,51 8,52 15.007,53 0.193,54 11.158,55 11.158,56 1.012,57 4.41,58 4.41,59 20.558,60 154,62 4.503,63 47.665,64 2,65 3.857,66 7.472,67 7.472,68 5.179,70 8.38}
{0 CHEMBL61465,13 1,14 13.149,16 18.62,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.02,24 1,25 11.114,26 16.693,28 2,29 14.786,33 12.906,34 8.059,35 10.491,36 50.465,37 5.938,38 189,39 47,40 3.871,41 4.554,42 7.086,43 4.016,44 3.848,45 9.209,46 3.101,48 17,49 6.784,50 1,51 8,52 11.42,53 0.213,54 10.975,55 10.975,56 1.218,57 4.408,58 4.408,59 20.542,60 140,62 4.201,63 41.654,64 1,65 3.712,66 7.472,67 7.472,68 4.943,69 18.011,70 7}
{0 CHEMBL61466,13 1,14 13.162,16 18.636,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.079,24 1,25 11.138,26 16.714,28 2,29 14.813,33 12.94,34 8.093,35 10.517,36 52.616,37 5.974,38 196,39 49,40 3.912,41 4.595,42 7.127,43 4.069,44 3.9,45 9.243,46 3.101,48 17.562,49 6.784,50 1,51 8,52 12.315,53 0.211,54 10.975,55 10.975,56 1.068,57 4.408,58 4.408,59 20.542,60 160,62 4.231,63 42.512,64 1,65 3.732,66 7.472,67 7.472,68 4.956,69 18.011,70 8.66}
{0 CHEMBL61536,13 1,14 25.43,16 18.831,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.331,24 1.5,25 11.349,26 16.916,28 2.5,29 15.02,33 13.148,34 8.272,35 10.705,36 65.261,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.334,43 4.494,44 4.323,45 9.425,46 3.192,48 27.158,49 6.858,50 1.5,51 8,52 18.572,53 0.189,54 11.226,55 11.226,56 1.099,57 4.41,58 4.41,59 20.588,60 168,62 4.644,63 50.637,64 1,65 3.915,66 7.472,67 7.472,68 5.385,70 7.827}
{0 CHEMBL61828,13 2,14 13.179,16 18.312,17 1,18 11.162,19 11.162,20 11.162,21 5,22 13.029,24 1.5,25 10.979,26 16.464,28 2.5,29 14.631,33 12.82,34 7.842,35 10.262,36 59.356,37 6.094,38 221,39 54,40 4.007,41 4.691,42 7.217,43 4.198,44 4.019,45 8.978,46 3.103,47 1,48 21.128,49 6.782,50 1.5,51 8,52 14.332,53 0.194,54 10.981,55 10.981,56 1.207,57 4.144,58 4.144,59 18.309,60 147,62 4.47,63 46.66,64 1,65 3.84,66 6.786,67 6.786,68 5.135,70 8.327}
{0 CHEMBL62152,13 1,14 13.323,16 18.835,17 1,18 13.189,19 13.189,20 13.189,21 5,22 13.236,24 1.5,25 11.35,26 16.912,28 2.5,29 15.006,33 13.124,34 8.261,35 10.689,36 61.269,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.287,43 4.35,44 4.182,45 9.402,46 3.166,47 1,48 23.52,49 6.784,50 1.5,51 8,52 16.106,53 0.193,54 11.158,55 11.158,56 1.286,57 4.41,58 4.41,59 20.558,60 154,62 4.553,63 49.177,64 1,65 3.888,66 7.472,67 7.472,68 5.225,70 7.829}
{0 CHEMBL62180,13 1,14 13.37,16 18.6,18 12.506,19 12.506,20 12.506,21 7,22 13.324,24 1.5,25 11.186,26 16.727,28 2.5,29 14.873,33 13.045,34 8.148,35 10.59,36 70.06,37 6.26,38 261,39 65,40 4.19,41 4.875,42 7.385,43 4.443,44 4.309,45 9.32,46 3.468,48 22.516,49 6.325,50 1.68,51 4,52 15.718,53 0.178,54 9.696,55 9.696,56 0.824,57 4.31,58 4.31,59 19.838,60 242,62 4.468,63 55.535,65 4.016,66 7.307,67 7.307,68 5.189,69 18.011,70 8.42}
{0 CHEMBL62339,13 1,14 13.394,16 18.6,18 12.506,19 12.506,20 12.506,21 7,22 13.324,24 1.5,25 11.188,26 16.727,28 2.5,29 14.874,33 13.047,34 8.148,35 10.591,36 71.479,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.404,43 4.47,44 4.333,45 9.312,46 3.477,48 23.434,49 6.325,50 1.682,51 4,52 16.306,53 0.176,54 9.696,55 9.696,56 0.846,57 4.31,58 4.31,59 19.838,60 258,62 4.511,63 57.296,65 4.043,66 7.307,67 7.307,68 5.224,69 18.011,70 8.658}
{0 CHEMBL62454,14 12.654,16 18.224,18 12.762,19 12.762,20 12.762,21 3,22 13.041,24 1.5,25 10.883,26 16.348,28 2.5,29 14.496,33 12.676,34 7.89,35 10.26,36 57.731,37 6.028,38 207,39 52,40 3.97,41 4.654,42 7.132,43 4.583,44 4.357,45 8.978,46 3.441,48 31.021,49 6.173,50 1.5,52 22.392,53 0.195,54 9.19,55 9.19,56 0.766,57 4.355,58 4.355,59 19.221,60 222,62 4.731,63 56.035,65 3.976,66 7.22,67 7.22,68 5.475,69 18.011,70 6.208}
{0 CHEMBL62549,14 13.193,16 18.285,18 11.903,19 11.903,20 11.903,21 6,22 13.202,24 1.5,25 10.966,26 16.443,28 2.5,29 14.617,33 12.814,34 7.974,35 10.373,36 58.817,37 6.084,38 219,39 55,40 4.025,41 4.71,42 7.217,43 4.246,44 4.095,45 9.11,46 3.238,48 19.268,49 6.321,50 1.5,52 13.433,53 0.194,54 9.687,55 9.687,56 1.077,57 4.208,58 4.208,59 18.398,60 179,62 4.319,63 47.79,65 3.87,66 6.994,67 6.994,68 5.02,69 18.011,70 7.602}
{0 CHEMBL62598,13 1,14 24.849,16 18.52,18 12.507,19 12.507,20 12.507,21 6,22 13.303,24 1.5,25 11.101,26 16.646,28 2.5,29 14.794,33 12.969,34 8.084,35 10.518,36 65.126,37 6.168,38 238,39 60,40 4.111,41 4.796,42 7.306,43 4.267,44 4.148,45 9.255,46 3.387,48 19.027,49 6.321,50 1.647,52 13.628,53 0.189,54 9.687,55 9.687,56 1.027,57 4.314,58 4.314,59 19.845,60 220,62 4.357,63 49.699,65 3.914,66 7.308,67 7.308,68 5.071,69 18.011,70 8.347}
{0 CHEMBL62611,14 13.01,16 18.251,18 11.768,19 11.768,20 11.768,21 6,22 13.149,24 1.5,25 10.918,26 16.406,28 2.5,29 14.578,33 12.771,34 7.936,35 10.337,36 57.641,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.189,43 4.16,44 3.998,45 9.066,46 3.269,48 18.756,49 6.332,50 1.5,52 13.202,53 0.196,54 9.72,55 9.72,56 1.069,57 4.182,58 4.182,59 18.244,60 174,62 4.282,63 46.029,65 3.838,66 6.969,67 6.969,68 4.971,69 18.011,70 5.959}
{0 CHEMBL63757,13 1,14 13.19,16 18.213,17 2,18 10.981,19 10.981,20 10.981,21 7,22 13.176,24 1.5,25 10.948,26 16.408,28 2.5,29 14.618,33 12.849,34 7.861,35 10.284,36 67.686,37 6.221,38 251,39 62,40 4.143,41 4.828,42 7.344,43 4.232,44 4.081,45 9.019,46 3.206,48 20.599,49 6.196,50 1.57,51 4,52 14.343,53 0.182,54 9.271,55 9.271,56 0.9,57 4.149,58 4.149,59 18.127,60 211,62 4.402,63 51.086,64 2,65 3.945,66 6.786,67 6.786,68 5.119,70 6.453}
{0 CHEMBL64163,14 13.144,16 18.274,18 11.768,19 11.768,20 11.768,21 6,22 13.201,24 1.5,25 10.948,26 16.435,28 2.5,29 14.613,33 12.813,34 7.974,35 10.364,36 60.351,37 6.103,38 223,39 56,40 4.043,41 4.727,42 7.232,43 4.265,44 4.123,45 9.102,46 3.273,48 20.247,49 6.321,50 1.5,52 14.45,53 0.192,54 9.687,55 9.687,56 0.999,57 4.182,58 4.182,59 18.258,60 196,62 4.348,63 48.245,65 3.879,66 6.969,67 6.969,68 5.086,69 18.011,70 6.959}
{0 CHEMBL64322,13 1,14 13.248,16 18.502,18 12.506,19 12.506,20 12.506,21 6,22 13.254,24 1.5,25 11.076,26 16.624,28 2.5,29 14.766,33 12.936,34 8.05,35 10.492,36 62.481,37 6.138,38 231,39 58,40 4.078,41 4.762,42 7.272,43 4.317,44 4.17,45 9.221,46 3.31,48 20.871,49 6.321,50 1.5,51 4,52 14.624,53 0.19,54 9.687,55 9.687,56 0.834,57 4.31,58 4.31,59 19.838,60 196,62 4.386,63 50.006,65 3.91,66 7.307,67 7.307,68 5.116,69 18.011,70 8.8}
{0 CHEMBL64591,14 12.96,16 18.285,18 11.903,19 11.903,20 11.903,21 6,22 13.202,24 1.5,25 10.965,26 16.442,28 2.5,29 14.616,33 12.812,34 7.974,35 10.377,36 57.945,37 6.066,38 215,39 54,40 4.007,41 4.691,42 7.212,43 4.01,44 3.899,45 9.113,46 3.184,48 14.309,49 6.333,50 1.5,52 10.244,53 0.197,54 9.723,55 9.723,56 0.948,57 4.208,58 4.208,59 18.382,60 170,62 4.142,63 44.722,65 3.814,66 6.994,67 6.994,68 4.815,69 18.011,70 6.18}
{0 CHEMBL65605,14 12.969,16 17.85,18 9.72,19 9.72,20 9.72,21 6,22 13.123,24 1.5,25 10.63,26 16.074,28 2.5,29 14.31,33 12.563,34 7.554,35 9.983,36 56.429,37 6.023,38 206,39 51,40 3.951,41 4.635,42 7.146,43 3.991,44 3.856,45 8.705,46 3.117,48 14.775,49 6.094,50 1.59,52 10.691,53 0.198,54 8.881,55 8.881,56 1.306,57 4.046,58 4.046,59 16.196,60 156,62 4.134,63 41.983,65 3.774,66 6.332,67 6.332,68 4.759,69 18.011,70 5.495}
{0 CHEMBL65649,14 12.989,16 18.263,18 11.903,19 11.903,20 11.903,21 6,22 13.15,24 1.5,25 10.936,26 16.414,28 2.5,29 14.583,33 12.773,34 7.936,35 10.347,36 56.449,37 6.033,38 208,39 52,40 3.97,41 4.654,42 7.174,43 3.981,44 3.86,45 9.074,46 3.106,48 14.043,49 6.332,50 1.5,52 9.988,53 0.198,54 9.72,55 9.72,56 0.83,57 4.206,58 4.206,59 18.381,60 158,62 4.127,63 42.961,65 3.779,66 6.994,67 6.994,68 4.776,69 18.011,70 5.921}
{0 CHEMBL65681,14 12.964,16 18.264,18 11.911,19 11.911,20 11.911,21 6,22 13.152,24 1.38,25 10.935,26 16.415,28 2.382,29 14.582,33 12.771,34 7.936,35 10.354,36 54.969,37 6.014,38 204,39 51,40 3.951,41 4.635,42 7.149,43 3.966,44 3.837,45 9.088,46 3.122,48 13.952,49 6.332,50 1.5,52 9.818,53 0.201,54 9.72,55 9.72,56 1.089,57 4.218,58 4.218,59 18.391,60 138,62 4.106,63 42.506,65 3.77,66 6.998,67 6.998,68 4.743,69 18.011,70 6.367}
{0 CHEMBL65696,14 12.43,16 18.045,18 11.903,19 11.903,20 11.903,21 4,22 13.005,24 1,25 10.735,26 16.201,28 2.313,29 14.379,33 12.584,34 7.776,35 10.174,36 52.25,37 5.938,38 189,39 48,40 3.892,41 4.575,42 7.069,43 3.908,44 3.776,45 8.904,46 3.175,48 13.417,49 6.173,50 1.5,52 9.318,53 0.206,54 9.19,55 9.19,56 0.794,57 4.208,58 4.208,59 18.312,60 156,62 4.042,63 43.268,65 3.759,66 6.994,67 6.994,68 4.708,69 18.011,70 6.244}
{0 CHEMBL66301,14 13.003,16 18.263,18 11.903,19 11.903,20 11.903,21 6,22 13.15,24 1.5,25 10.936,26 16.414,28 2.5,29 14.583,33 12.773,34 7.936,35 10.347,36 56.26,37 6.033,38 208,39 52,40 3.97,41 4.654,42 7.174,43 4.037,44 3.896,45 9.074,46 3.19,48 15.44,49 6.332,50 1.5,52 10.804,53 0.198,54 9.72,55 9.72,56 1.116,57 4.208,58 4.208,59 18.381,60 158,62 4.175,63 44.268,65 3.804,66 6.994,67 6.994,68 4.828,69 18.011,70 6.409}
{0 CHEMBL66623,13 2,14 13.242,16 18.303,17 2,18 10.981,19 10.981,20 10.981,21 7,22 13.216,24 1.5,25 11.024,26 16.494,28 2.5,29 14.7,33 12.924,34 7.934,35 10.359,36 69.454,37 6.252,38 259,39 64,40 4.174,41 4.86,42 7.38,43 4.312,44 4.148,45 9.102,46 3.208,48 23.284,49 6.246,50 1.57,51 4,52 15.966,53 0.181,54 9.394,55 9.394,56 0.922,57 4.15,58 4.15,59 18.128,60 222,62 4.513,63 52.847,64 2,65 3.974,66 6.786,67 6.786,68 5.243,70 7.357}
{0 CHEMBL67172,13 1,14 39.486,16 18.959,17 2,18 13.626,19 13.626,20 13.626,21 7,22 13.647,24 1.565,25 11.438,26 17.035,28 2.586,29 15.134,33 13.261,34 8.354,35 10.816,36 72.989,37 6.297,38 271,39 67,40 4.22,41 4.905,42 7.442,43 4.269,44 4.121,45 9.537,46 3.409,48 20.773,49 6.786,50 1.977,51 4,52 15.68,53 0.18,54 10.981,55 10.981,56 1.068,57 4.384,58 4.384,59 21.629,60 210,62 4.422,63 51.881,64 3,65 3.974,66 7.668,67 7.668,68 5.131,70 5.886}
{0 CHEMBL67281,13 3,14 39.295,15 2,16 19.082,17 2,18 13.626,19 13.626,20 13.626,21 7,22 13.708,24 1.607,25 11.562,26 17.162,28 2.613,29 15.261,33 13.384,34 8.469,35 10.927,36 77.352,37 6.358,38 288,39 71,40 4.277,41 4.963,42 7.509,43 4.366,44 4.239,45 9.658,46 3.431,48 21.219,49 6.786,50 1.998,51 4,52 16.563,53 0.178,54 10.981,55 10.981,56 0.832,57 4.385,58 4.385,59 21.632,60 232,62 4.466,63 51.756,64 3,65 3.989,66 7.668,67 7.668,68 5.222,70 6.638}
{0 CHEMBL67563,13 2,14 39.685,16 19.035,17 2,18 13.626,19 13.626,20 13.626,21 7,22 13.683,24 1.598,25 11.51,26 17.113,28 2.608,29 15.212,33 13.336,34 8.423,35 10.881,36 74.832,37 6.33,38 280,39 69,40 4.248,41 4.934,42 7.478,43 4.379,44 4.235,45 9.608,46 3.414,48 22.593,49 6.786,50 1.977,51 4,52 17.184,53 0.179,54 10.981,55 10.981,56 1.057,57 4.385,58 4.385,59 21.632,60 222,62 4.488,63 53.642,64 3,65 4.003,66 7.668,67 7.668,68 5.238,70 6.355}
{0 CHEMBL69581,13 2,14 39.642,16 19.002,17 2,18 13.626,19 13.626,20 13.626,21 7,22 13.671,24 1.567,25 11.485,26 17.082,28 2.587,29 15.183,33 13.311,34 8.4,35 10.861,36 74.801,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.475,43 4.351,44 4.187,45 9.587,46 3.421,48 23.603,49 6.786,50 1.998,51 4,52 17.418,53 0.179,54 10.981,55 10.981,56 1.07,57 4.384,58 4.384,59 21.629,60 220,62 4.531,63 53.642,64 3,65 4.003,66 7.668,67 7.668,68 5.254,70 7.131}
{0 CHEMBL69642,13 3,14 39.654,16 19.082,17 2,18 13.626,19 13.626,20 13.626,21 7,22 13.708,24 1.607,25 11.562,26 17.162,28 2.613,29 15.261,33 13.384,34 8.469,35 10.927,36 77.1,37 6.358,38 288,39 71,40 4.277,41 4.963,42 7.509,43 4.405,44 4.262,45 9.658,46 3.431,48 22.86,49 6.786,50 1.998,51 4,52 17.598,53 0.178,54 10.981,55 10.981,56 0.967,57 4.385,58 4.385,59 21.632,60 232,62 4.531,63 53.745,64 3,65 4.006,66 7.668,67 7.668,68 5.264,69 32.897,70 7.495}
{0 CHEMBL69670,13 3,14 39.75,16 19.082,17 2,18 13.626,19 13.626,20 13.626,21 7,22 13.708,24 1.607,25 11.562,26 17.162,28 2.613,29 15.261,33 13.384,34 8.469,35 10.927,36 76.649,37 6.358,38 288,39 71,40 4.277,41 4.963,42 7.509,43 4.437,44 4.283,45 9.658,46 3.431,48 24.668,49 6.786,50 1.998,51 4,52 18.364,53 0.178,54 10.981,55 10.981,56 1.028,57 4.385,58 4.385,59 21.632,60 232,62 4.567,63 54.648,64 3,65 4.019,66 7.668,67 7.668,68 5.329,69 32.897,70 7.509}
{0 CHEMBL70010,13 3,14 39.841,16 19.082,17 2,18 13.626,19 13.626,20 13.626,21 7,22 13.708,24 1.607,25 11.562,26 17.162,28 2.613,29 15.261,33 13.384,34 8.469,35 10.927,36 76.688,37 6.358,38 288,39 71,40 4.277,41 4.963,42 7.509,43 4.453,44 4.294,45 9.658,46 3.431,48 25.406,49 6.786,50 1.998,51 4,52 18.905,53 0.178,54 10.981,55 10.981,56 1.059,57 4.385,58 4.385,59 21.632,60 232,62 4.59,63 55.404,64 3,65 4.03,66 7.668,67 7.668,68 5.349,70 7.553}
{0 CHEMBL70124,13 3,14 13.057,16 18.356,17 2,18 10.34,19 10.34,20 10.34,21 7,22 13.198,24 1.5,25 11.056,26 16.543,28 2.5,29 14.742,33 12.959,34 7.962,35 10.39,36 69.566,37 6.256,38 260,39 64,40 4.174,41 4.86,42 7.383,43 4.372,44 4.215,45 9.134,46 3.264,48 23.857,49 6.576,50 1.609,51 4,52 16.476,53 0.181,54 10.264,55 10.264,56 0.944,57 4.066,58 4.066,59 17.473,60 220,62 4.505,63 52.847,64 2,65 3.974,66 6.592,67 6.592,68 5.261,70 7.046}
{0 CHEMBL78535,13 1,14 25.321,16 18.817,17 1,18 13.189,19 13.189,20 13.189,21 4,22 13.333,24 1.038,25 11.324,26 16.9,28 2.132,29 15.001,33 13.126,34 8.258,35 10.681,36 62.75,37 6.116,38 226,39 56,40 4.043,41 4.727,42 7.265,43 4.381,44 4.202,45 9.412,46 3.188,48 24.372,49 6.858,50 1.313,51 4,52 17.637,53 0.199,54 11.226,55 11.226,56 1.09,57 4.41,58 4.41,59 20.588,60 170,62 4.532,63 47.682,64 1,65 3.837,66 7.472,67 7.472,68 5.302,70 8.678}
{0 CHEMBL79061,13 2,14 13.323,16 19.11,17 2,18 13.208,19 13.208,20 13.208,21 5,22 13.478,24 1.5,25 11.586,26 17.185,28 2.5,29 15.276,33 13.389,34 8.552,35 10.991,36 70.923,37 6.297,38 271,39 68,40 4.234,41 4.92,42 7.463,43 4.654,44 4.516,45 9.726,46 3.254,48 31.756,49 7.111,50 1.692,51 4,52 22.641,53 0.183,54 11.66,55 11.66,56 0.755,57 4.416,58 4.416,59 20.695,60 212,62 4.777,63 52.762,64 2,65 3.971,66 7.475,67 7.475,68 5.579,70 8.854}
{0 CHEMBL79315,13 2,14 38.969,16 18.73,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.37,24 1.5,25 11.165,26 16.794,28 2.5,29 14.883,33 13.004,34 8.1,35 10.57,36 63.714,37 6.129,38 229,39 57,40 4.06,41 4.745,42 7.252,43 4.639,44 4.456,45 9.276,46 3.385,48 31.081,49 6.464,50 1.5,51 4,52 22.702,53 0.189,54 10.011,55 10.011,56 1.513,57 4.421,58 4.421,59 21.324,60 197,62 4.705,63 51.188,64 6,65 3.917,66 7.641,67 7.641,68 5.514,70 7}
{0 CHEMBL79369,13 1,14 26.308,16 18.719,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.387,24 1.5,25 11.146,26 16.781,28 2.5,29 14.867,33 12.983,34 8.084,35 10.556,36 57.34,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.189,43 4.475,44 4.313,45 9.269,46 3.334,48 23.342,49 6.449,50 1.505,52 18.136,53 0.199,54 9.934,55 9.934,56 1.384,57 4.421,58 4.421,59 21.325,60 172,62 4.494,63 46.614,64 3,65 3.826,66 7.641,67 7.641,68 5.206,70 5.62}
{0 CHEMBL79504,13 1,14 39.234,16 19.277,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.685,24 1.5,25 11.678,26 17.299,28 2.523,29 15.34,33 13.408,34 8.592,35 11.067,36 68.048,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.376,43 4.575,44 4.407,45 9.766,46 3.381,48 24.744,49 7.641,50 1.721,52 20.571,53 0.19,54 13.441,55 13.441,56 1.136,57 4.578,58 4.578,59 22.431,60 175,62 4.565,63 49.568,64 3,65 3.92,66 7.748,67 7.748,68 5.261,70 7.456}
{0 CHEMBL79530,13 2,14 39.53,16 18.729,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.373,24 1.5,25 11.164,26 16.794,28 2.5,29 14.885,33 13.007,34 8.1,35 10.571,36 66.141,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.28,43 4.765,44 4.589,45 9.275,46 3.457,48 33.779,49 6.447,50 1.5,51 4,52 24.406,53 0.185,54 9.928,55 9.928,56 1.606,57 4.421,58 4.421,59 21.324,60 242,62 4.76,63 55.262,64 4,65 3.982,66 7.641,67 7.641,68 5.579,69 18.011,70 8.602}
{0 CHEMBL79566,11 1,13 2,14 26.423,16 19.249,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.616,24 1.5,25 11.648,26 17.266,28 2.5,29 15.302,33 13.365,34 8.558,35 11.035,36 62.96,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.34,43 4.538,44 4.376,45 9.728,46 3.373,48 25.139,49 7.641,50 1.602,52 19.643,53 0.192,54 13.441,55 13.441,56 1.162,57 4.599,58 4.599,59 22.431,60 165,62 4.539,63 48.824,64 3,65 3.902,66 7.748,67 7.748,68 5.271,69 42.683,70 7}
{0 CHEMBL79622,13 2,14 50.859,16 18.792,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.478,24 1.5,25 11.24,26 16.868,28 2.5,29 14.969,33 13.101,34 8.191,35 10.647,36 71.725,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.363,43 4.782,44 4.618,45 9.365,46 3.453,48 34.316,49 6.447,50 1.622,51 4,52 24.938,53 0.18,54 9.928,55 9.928,56 1.488,57 4.421,58 4.421,59 21.324,60 288,62 4.769,63 57.171,64 6,65 4.024,66 7.641,67 7.641,68 5.61,69 32.897,70 8.699}
{0 CHEMBL79667,13 2,14 38.789,16 18.701,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.28,24 1.339,25 11.114,26 16.758,28 2.369,29 14.838,33 12.949,34 8.05,35 10.521,36 59.767,37 6.057,38 213,39 53,40 3.989,41 4.673,42 7.169,43 4.671,44 4.492,45 9.228,46 3.391,48 31.511,49 6.444,50 1.5,51 4,52 22.597,53 0.196,54 9.911,55 9.911,56 1.485,57 4.421,58 4.421,59 21.324,60 238,62 4.696,63 52.472,64 6,65 3.909,66 7.641,67 7.641,68 5.552,70 8}
{0 CHEMBL79697,13 1,14 26.253,16 18.653,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.323,24 1.5,25 11.073,26 16.712,28 2.5,29 14.795,33 12.91,34 8.015,35 10.492,36 55.714,37 6.014,38 204,39 51,40 3.951,41 4.635,42 7.146,43 4.449,44 4.287,45 9.197,46 3.333,48 22.893,49 6.178,50 1.5,52 17.868,53 0.201,54 9.197,55 9.197,56 1.364,57 4.421,58 4.421,59 21.325,60 178,62 4.459,63 44.853,64 3,65 3.793,66 7.641,67 7.641,68 5.189,70 6.155}
{0 CHEMBL79716,13 1,14 26.407,16 19.203,17 1,18 14.308,19 14.308,20 14.308,21 6,22 13.583,24 1.5,25 11.591,26 17.218,28 2.5,29 15.252,33 13.314,34 8.516,35 10.981,36 64.455,37 6.151,38 234,39 58,40 4.078,41 4.762,42 7.303,43 4.53,44 4.357,45 9.674,46 3.368,48 24.651,49 7.641,50 1.601,52 19.854,53 0.193,54 13.441,55 13.441,56 1.31,57 4.548,58 4.548,59 22.192,60 170,62 4.532,63 48.256,64 3,65 3.886,66 7.716,67 7.716,68 5.233,70 6.569}
{0 CHEMBL79770,13 3,14 39.781,16 18.783,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.41,24 1.5,25 11.225,26 16.853,28 2.5,29 14.947,33 13.072,34 8.159,35 10.627,36 67.715,37 6.196,38 245,39 61,40 4.127,41 4.812,42 7.318,43 4.832,44 4.644,45 9.339,46 3.46,48 37.134,49 6.459,50 1.5,51 4,52 26.637,53 0.183,54 9.978,55 9.978,56 1.567,57 4.421,58 4.421,59 21.324,60 238,62 4.83,63 57.023,64 4,65 4.01,66 7.641,67 7.641,68 5.669,69 18.011,70 8.222}
{0 CHEMBL79882,13 1,14 26.29,16 18.704,18 13.441,19 13.441,20 13.441,21 4,22 13.466,24 1.5,25 11.126,26 16.769,28 2.5,29 14.858,33 12.977,34 8.072,35 10.547,36 58.298,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.189,43 4.438,44 4.289,45 9.262,46 3.358,48 19.948,49 6.219,50 1.5,52 16.355,53 0.199,54 9.304,55 9.304,56 1.433,57 4.421,58 4.421,59 21.325,60 188,62 4.463,63 44.938,64 3,65 3.82,66 7.641,67 7.641,68 5.056,70 5}
{0 CHEMBL79907,13 2,14 38.399,16 18.7,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.274,24 1.25,25 11.109,26 16.756,28 2.305,29 14.835,33 12.943,34 8.05,35 10.515,36 56.086,37 5.999,38 201,39 50,40 3.932,41 4.615,42 7.122,43 4.485,44 4.303,45 9.228,46 3.338,48 26.461,49 6.444,50 1.46,51 4,52 19.021,53 0.204,54 9.909,55 9.909,56 1.51,57 4.421,58 4.421,59 21.324,60 166,62 4.562,63 47.188,64 6,65 3.813,66 7.641,67 7.641,68 5.375,70 7.699}
{0 CHEMBL79930,13 2,14 38.961,16 18.833,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.401,24 1.293,25 11.268,26 16.899,28 2.349,29 14.985,33 13.097,34 8.28,35 10.729,36 59.9,37 6.066,38 215,39 55,40 4.025,41 4.71,42 7.217,43 4.647,44 4.434,45 9.468,46 3.395,48 33.259,49 6.559,50 1.5,51 4,52 23.547,53 0.201,54 10.418,55 10.418,56 1.365,57 4.421,58 4.421,59 21.324,60 173,62 4.713,63 50.711,64 6,65 3.878,66 7.641,67 7.641,68 5.59,70 7.563}
{0 CHEMBL79958,13 2,14 26.295,16 18.607,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.307,24 1.5,25 11.032,26 16.665,28 2.5,29 14.752,33 12.874,34 7.978,35 10.461,36 56.772,37 6.028,38 207,39 52,40 3.97,41 4.654,42 7.157,43 4.514,44 4.34,45 9.163,46 3.374,48 25.374,49 6.177,50 1.5,52 19.58,53 0.198,54 9.196,55 9.196,56 1.34,57 4.421,58 4.421,59 21.325,60 197,62 4.551,63 47.37,64 3,65 3.848,66 7.641,67 7.641,68 5.27,70 6.602}
{0 CHEMBL80043,13 3,14 39.062,16 18.73,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.314,24 1.5,25 11.165,26 16.794,28 2.5,29 14.883,33 13.004,34 8.1,35 10.57,36 63.803,37 6.129,38 229,39 57,40 4.06,41 4.745,42 7.252,43 4.71,44 4.509,45 9.276,46 3.387,48 34.444,49 6.464,50 1.5,51 4,52 24.414,53 0.189,54 10.011,55 10.011,56 1.434,57 4.421,58 4.421,59 21.324,60 197,62 4.774,63 53.472,64 6,65 3.948,66 7.641,67 7.641,68 5.641,70 8.222}
{0 CHEMBL81245,13 2,14 50.965,16 18.808,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.516,24 1.604,25 11.266,26 16.888,28 2.596,29 14.994,33 13.131,34 8.22,35 10.672,36 73.651,37 6.267,38 263,39 66,40 4.205,41 4.89,42 7.394,43 4.818,44 4.66,45 9.397,46 3.454,48 34.692,49 6.447,50 1.786,51 4,52 25.935,53 0.179,54 9.928,55 9.928,56 1.417,57 4.421,58 4.421,59 21.325,60 301,62 4.798,63 58.029,64 6,65 4.039,66 7.641,67 7.641,68 5.62,69 32.897,70 8.523}
{0 CHEMBL81252,13 2,14 39.298,16 18.744,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.414,24 1.5,25 11.187,26 16.814,28 2.5,29 14.909,33 13.037,34 8.132,35 10.595,36 66.563,37 6.176,38 240,39 60,40 4.111,41 4.796,42 7.3,43 4.742,44 4.58,45 9.309,46 3.414,48 31.19,49 6.441,50 1.603,51 4,52 23.717,53 0.186,54 9.883,55 9.883,56 1.512,57 4.421,58 4.421,59 21.325,60 253,62 4.71,63 53.807,64 6,65 3.963,66 7.641,67 7.641,68 5.501,70 8.66}
{0 CHEMBL81692,13 1,14 26.266,16 18.704,18 13.441,19 13.441,20 13.441,21 4,22 13.466,24 1.5,25 11.126,26 16.769,28 2.5,29 14.858,33 12.977,34 8.072,35 10.547,36 58.298,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.189,43 4.386,44 4.252,45 9.262,46 3.355,48 18.109,49 6.219,50 1.5,52 14.877,53 0.199,54 9.304,55 9.304,56 1.466,57 4.421,58 4.421,59 21.325,60 188,62 4.415,63 44.182,64 3,65 3.803,66 7.641,67 7.641,68 5.024,70 5}
{0 CHEMBL81719,13 1,14 39.055,16 19.239,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.606,24 1.5,25 11.63,26 17.252,28 2.5,29 15.284,33 13.342,34 8.537,35 11.017,36 63.766,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.307,43 4.491,44 4.315,45 9.705,46 3.373,48 24.569,49 7.641,50 1.5,52 19.341,53 0.193,54 13.441,55 13.441,56 1.297,57 4.578,58 4.578,59 22.431,60 158,62 4.499,63 47.853,64 3,65 3.887,66 7.748,67 7.748,68 5.238,70 7.456}
{0 CHEMBL81926,13 2,14 39.553,16 18.781,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.433,24 1.5,25 11.22,26 16.851,28 2.5,29 14.946,33 13.071,34 8.159,35 10.625,36 67.955,37 6.196,38 245,39 61,40 4.127,41 4.812,42 7.318,43 4.8,44 4.629,45 9.337,46 3.452,48 34.549,49 6.447,50 1.622,51 4,52 25.151,53 0.183,54 9.93,55 9.93,56 1.606,57 4.421,58 4.421,59 21.324,60 234,62 4.767,63 56.472,64 6,65 4.005,66 7.641,67 7.641,68 5.6,70 8.398}
{0 CHEMBL82048,13 2,14 39.408,16 18.729,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.373,24 1.5,25 11.164,26 16.794,28 2.5,29 14.885,33 13.007,34 8.1,35 10.571,36 66.216,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.28,43 4.759,44 4.586,45 9.275,46 3.452,48 33.626,49 6.447,50 1.5,51 4,52 24.497,53 0.185,54 9.928,55 9.928,56 1.637,57 4.421,58 4.421,59 21.324,60 242,62 4.746,63 54.711,64 6,65 3.976,66 7.641,67 7.641,68 5.578,70 8.699}
{0 CHEMBL82168,13 2,14 39.347,16 18.729,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.378,24 1.5,25 11.164,26 16.794,28 2.5,29 14.885,33 13.007,34 8.1,35 10.571,36 66.372,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.28,43 4.737,44 4.568,45 9.275,46 3.458,48 32.374,49 6.447,50 1.614,51 4,52 23.839,53 0.185,54 9.928,55 9.928,56 1.629,57 4.421,58 4.421,59 21.324,60 242,62 4.718,63 53.949,64 6,65 3.966,66 7.641,67 7.641,68 5.538,70 8.824}
{0 CHEMBL82207,13 1,14 26.106,16 18.562,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.262,24 1.264,25 10.952,26 16.609,28 2.323,29 14.682,33 12.79,34 7.901,35 10.387,36 50.597,37 5.9,38 182,39 46,40 3.85,41 4.533,42 7.026,43 4.419,44 4.243,45 9.093,46 3.26,48 23.378,49 6.177,50 1.5,52 18.295,53 0.212,54 9.195,55 9.195,56 1.43,57 4.421,58 4.421,59 21.325,60 162,62 4.452,63 42.847,64 3,65 3.734,66 7.641,67 7.641,68 5.174,70 5}
{0 CHEMBL82301,13 2,14 13.222,16 19.09,17 2,18 13.208,19 13.208,20 13.208,21 4,22 13.392,24 1.32,25 11.549,26 17.16,28 2.387,29 15.244,33 13.348,34 8.521,35 10.956,36 63.394,37 6.188,38 243,39 61,40 4.127,41 4.812,42 7.359,43 4.369,44 4.251,45 9.695,46 3.128,48 24.547,49 7.111,50 1.5,51 4,52 16.858,53 0.196,54 11.66,55 11.66,56 0.731,57 4.416,58 4.416,59 20.693,60 174,62 4.539,63 47.455,64 2,65 3.849,66 7.475,67 7.475,68 5.403,70 8.602}
{0 CHEMBL82786,13 2,14 39.651,16 18.729,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.373,24 1.5,25 11.164,26 16.794,28 2.5,29 14.885,33 13.007,34 8.1,35 10.571,36 66.085,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.28,43 4.774,44 4.595,45 9.275,46 3.477,48 34.164,49 6.447,50 1.5,51 4,52 24.822,53 0.185,54 9.928,55 9.928,56 1.579,57 4.421,58 4.421,59 21.324,60 242,62 4.775,63 56.018,64 4,65 3.997,66 7.641,67 7.641,68 5.581,70 7.699}
{0 CHEMBL82838,13 2,14 26.295,16 18.974,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.535,24 1.505,25 11.368,26 17.03,28 2.512,29 15.104,33 13.205,34 8.359,35 10.834,36 62.472,37 6.142,38 232,39 59,40 4.094,41 4.779,42 7.3,43 4.504,44 4.362,45 9.561,46 3.361,48 23.691,49 7.118,50 1.602,52 19.754,53 0.194,54 11.701,55 11.701,56 0.991,57 4.421,58 4.421,59 21.325,60 180,62 4.529,63 47.182,64 3,65 3.872,66 7.641,67 7.641,68 5.312,70 6.921}
{0 CHEMBL82879,13 2,14 39.63,16 18.776,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.394,24 1.5,25 11.208,26 16.839,28 2.5,29 14.925,33 13.039,34 8.131,35 10.604,36 63.747,37 6.133,38 230,39 57,40 4.06,41 4.745,42 7.256,43 4.672,44 4.476,45 9.31,46 3.44,48 32.602,49 6.61,50 1.5,51 4,52 23.644,53 0.189,54 10.443,55 10.443,56 1.629,57 4.421,58 4.421,59 21.324,60 195,62 4.756,63 52.495,64 4,65 3.939,66 7.641,67 7.641,68 5.54,70 7}
{0 CHEMBL82880,13 1,14 39.037,16 19.249,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.64,24 1.5,25 11.648,26 17.266,28 2.523,29 15.302,33 13.365,34 8.558,35 11.035,36 64.168,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.34,43 4.526,44 4.368,45 9.728,46 3.373,48 24.537,49 7.641,50 1.603,52 19.356,53 0.192,54 13.441,55 13.441,56 1.184,57 4.604,58 4.604,59 22.431,60 165,62 4.525,63 48.063,64 3,65 3.893,66 7.748,67 7.748,68 5.252,70 8.301}
{0 CHEMBL83057,13 2,14 39.624,16 18.731,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.373,24 1.5,25 11.169,26 16.796,28 2.5,29 14.885,33 13.007,34 8.1,35 10.573,36 64.823,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.266,43 4.753,44 4.564,45 9.278,46 3.458,48 34.112,49 6.455,50 1.5,51 4,52 24.826,53 0.187,54 9.965,55 9.965,56 1.502,57 4.421,58 4.421,59 21.324,60 218,62 4.777,63 54.256,64 4,65 3.968,66 7.641,67 7.641,68 5.571,70 8.523}
{0 CHEMBL83107,13 1,14 52.049,16 19.463,17 1,18 15.079,19 15.079,20 15.079,21 6,22 13.886,24 1.596,25 11.839,26 17.467,28 2.588,29 15.488,33 13.532,34 8.755,35 11.253,36 67.208,37 6.225,38 252,39 63,40 4.159,41 4.844,42 7.398,43 4.547,44 4.385,45 9.941,46 3.464,48 24.804,49 7.641,50 1.631,52 20.236,53 0.191,54 13.441,55 13.441,56 1.127,57 4.683,58 4.683,59 23.373,60 172,62 4.542,63 49.165,64 4,65 3.921,66 7.898,67 7.898,68 5.273,70 7.824}
{0 CHEMBL83113,13 3,14 39.781,16 18.783,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.41,24 1.5,25 11.225,26 16.853,28 2.5,29 14.947,33 13.072,34 8.159,35 10.627,36 67.715,37 6.196,38 245,39 61,40 4.127,41 4.812,42 7.318,43 4.832,44 4.644,45 9.339,46 3.46,48 37.134,49 6.459,50 1.5,51 4,52 26.637,53 0.183,54 9.978,55 9.978,56 1.567,57 4.421,58 4.421,59 21.324,60 238,62 4.83,63 57.023,64 4,65 4.01,66 7.641,67 7.641,68 5.669,69 18.011,70 7.125}
{0 CHEMBL83311,13 1,14 38.837,16 19.24,17 1,18 14.337,19 14.337,20 14.337,21 6,22 13.632,24 1.55,25 11.637,26 17.26,28 2.555,29 15.298,33 13.364,34 8.558,35 11.009,36 65.505,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.361,43 4.542,44 4.382,45 9.706,46 3.374,48 25.047,49 7.641,50 1.604,52 19.499,53 0.189,54 13.441,55 13.441,56 1.246,57 4.559,58 4.559,59 22.43,60 172,62 4.543,63 49.069,64 3,65 3.908,66 7.72,67 7.72,68 5.27,69 18.011,70 7.456}
{0 CHEMBL83335,13 2,14 61.203,16 18.792,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.516,24 1.614,25 11.24,26 16.868,28 2.614,29 14.969,33 13.101,34 8.191,35 10.647,36 72.369,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.363,43 4.747,44 4.59,45 9.365,46 3.459,48 32.427,49 6.447,50 1.708,51 4,52 23.872,53 0.18,54 9.928,55 9.928,56 1.391,57 4.421,58 4.421,59 21.324,60 288,62 4.73,63 55.103,64 7,65 3.996,66 7.641,67 7.641,68 5.551,70 8.699}
{0 CHEMBL83338,13 1,14 39.153,16 19.249,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.64,24 1.5,25 11.648,26 17.266,28 2.523,29 15.302,33 13.365,34 8.558,35 11.035,36 65.687,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.34,43 4.538,44 4.371,45 9.728,46 3.376,48 24.729,49 7.641,50 1.603,52 20.049,53 0.192,54 13.441,55 13.441,56 1.198,57 4.578,58 4.578,59 22.431,60 165,62 4.537,63 48.711,64 3,65 3.904,66 7.748,67 7.748,68 5.253,70 7.456}
{0 CHEMBL83683,13 1,14 38.932,16 19.217,17 1,18 14.353,19 14.353,20 14.353,21 6,22 13.616,24 1.597,25 11.621,26 17.235,28 2.592,29 15.274,33 13.341,34 8.537,35 10.993,36 65.113,37 6.196,38 245,39 61,40 4.127,41 4.812,42 7.357,43 4.542,44 4.385,45 9.688,46 3.387,48 24.833,49 7.641,50 1.655,52 19.455,53 0.189,54 13.441,55 13.441,56 1.12,57 4.557,58 4.557,59 22.369,60 172,62 4.545,63 49.069,64 3,65 3.908,66 7.718,67 7.718,68 5.274,69 18.011,70 7.456}
{0 CHEMBL83745,13 1,14 39.346,16 19.443,17 1,18 15.53,19 15.53,20 15.53,21 6,22 13.701,24 1.53,25 11.799,26 17.436,28 2.539,29 15.449,33 13.491,34 8.671,35 11.163,36 66.095,37 6.225,38 252,39 62,40 4.143,41 4.828,42 7.383,43 4.543,44 4.385,45 9.843,46 3.367,48 25.108,49 7.641,50 1.607,51 4,52 19.631,53 0.19,54 13.441,55 13.441,56 1.316,57 4.692,58 4.692,59 23.778,60 172,62 4.544,63 49.069,64 4,65 3.904,66 8.055,67 8.055,68 5.283,70 7}
{0 CHEMBL83773,13 2,14 37.59,16 18.572,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.207,24 1,25 10.967,26 16.621,28 2,29 14.696,33 12.805,34 7.921,35 10.398,36 51.448,37 5.905,38 183,39 46,40 3.85,41 4.533,42 7.031,43 4.378,44 4.208,45 9.105,46 3.256,48 22.63,49 6.154,50 1.259,51 4,52 16.523,53 0.212,54 9.096,55 9.096,56 1.434,57 4.421,58 4.421,59 21.324,60 176,62 4.418,63 42.455,64 3,65 3.717,66 7.641,67 7.641,68 5.21,69 36.022,70 6}
{0 CHEMBL83818,13 1,14 26.369,16 19.017,17 1,18 13.441,19 13.441,20 13.441,21 6,22 13.539,24 1.5,25 11.465,26 17.063,28 2.5,29 15.128,33 13.22,34 8.425,35 10.888,36 61.339,37 6.142,38 232,39 58,40 4.078,41 4.762,42 7.295,43 4.496,44 4.339,45 9.595,46 3.371,48 24.076,49 7.275,50 1.603,51 4,52 18.93,53 0.193,54 13.002,55 13.002,56 1.331,57 4.421,58 4.421,59 21.325,60 168,62 4.524,63 47.063,64 3,65 3.867,66 7.641,67 7.641,68 5.237,70 6.585}
{0 CHEMBL83823,13 2,14 39.523,16 18.745,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.416,24 1.5,25 11.192,26 16.815,28 2.5,29 14.911,33 13.04,34 8.132,35 10.599,36 67.978,37 6.192,38 244,39 61,40 4.127,41 4.812,42 7.314,43 4.78,44 4.612,45 9.31,46 3.452,48 33.927,49 6.447,50 1.622,51 4,52 24.667,53 0.183,54 9.929,55 9.929,56 1.61,57 4.421,58 4.421,59 21.324,60 236,62 4.762,63 56.472,64 6,65 4.005,66 7.641,67 7.641,68 5.604,70 8.523}
{0 CHEMBL83882,13 2,14 26.323,16 18.605,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.308,24 1.5,25 11.027,26 16.664,28 2.5,29 14.751,33 12.875,34 7.978,35 10.459,36 58.22,37 6.047,38 211,39 53,40 3.989,41 4.673,42 7.172,43 4.585,44 4.404,45 9.16,46 3.39,48 28.043,49 6.177,50 1.5,52 21.371,53 0.196,54 9.196,55 9.196,56 1.338,57 4.421,58 4.421,59 21.325,60 216,62 4.608,63 49.131,64 3,65 3.88,66 7.641,67 7.641,68 5.366,70 7.187}
{0 CHEMBL83957,13 2,14 26.259,15 1,16 18.669,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.367,24 1.5,25 11.098,26 16.732,28 2.5,29 14.822,33 12.944,34 8.05,35 10.519,36 57.697,37 6.047,38 211,39 53,40 3.989,41 4.673,42 7.185,43 4.472,44 4.316,45 9.232,46 3.355,48 23.107,49 6.178,50 1.5,52 18.573,53 0.199,54 9.197,55 9.197,56 1.112,57 4.421,58 4.421,59 21.325,60 201,62 4.475,63 45.546,64 3,65 3.823,66 7.641,67 7.641,68 5.214,70 7.602}
{0 CHEMBL83963,13 2,14 26.29,16 18.669,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.367,24 1.5,25 11.098,26 16.732,28 2.5,29 14.822,33 12.944,34 8.05,35 10.519,36 57.737,37 6.047,38 211,39 53,40 3.989,41 4.673,42 7.185,43 4.495,44 4.326,45 9.232,46 3.357,48 23.772,49 6.178,50 1.5,52 18.934,53 0.199,54 9.197,55 9.197,56 1.266,57 4.421,58 4.421,59 21.325,60 201,62 4.511,63 46.466,64 3,65 3.833,66 7.641,67 7.641,68 5.209,70 6.699}
{0 CHEMBL84029,13 2,14 38.465,16 18.7,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.274,24 1.217,25 11.108,26 16.756,28 2.255,29 14.834,33 12.943,34 8.05,35 10.514,36 55.713,37 5.999,38 201,39 50,40 3.932,41 4.615,42 7.122,43 4.511,44 4.325,45 9.228,46 3.318,48 27.189,49 6.44,50 1.353,51 4,52 19.641,53 0.204,54 9.88,55 9.88,56 1.502,57 4.421,58 4.421,59 21.324,60 191,62 4.566,63 47.188,64 6,65 3.813,66 7.641,67 7.641,68 5.387,70 7.398}
{0 CHEMBL84120,13 2,14 26.319,16 18.719,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.387,24 1.5,25 11.146,26 16.781,28 2.5,29 14.867,33 12.983,34 8.084,35 10.556,36 57.33,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.189,43 4.499,44 4.332,45 9.269,46 3.355,48 24.141,49 6.449,50 1.505,52 18.777,53 0.199,54 9.934,55 9.934,56 1.349,57 4.421,58 4.421,59 21.325,60 172,62 4.512,63 47.37,64 3,65 3.848,66 7.641,67 7.641,68 5.216,70 6.398}
{0 CHEMBL84268,13 2,14 38.312,16 18.698,17 1,18 13.441,19 13.441,20 13.441,21 3,22 13.271,24 1.177,25 11.103,26 16.754,28 2.215,29 14.832,33 12.939,34 8.05,35 10.511,36 54.391,37 5.979,38 197,39 49,40 3.912,41 4.595,42 7.106,43 4.443,44 4.27,45 9.227,46 3.306,48 24.209,49 6.438,50 1.312,51 4,52 17.552,53 0.207,54 9.863,55 9.863,56 1.554,57 4.421,58 4.421,59 21.324,60 168,62 4.495,63 45.978,64 4,65 3.785,66 7.641,67 7.641,68 5.27,69 18.011,70 6.921}
{0 CHEMBL84309,13 2,14 39.508,16 18.729,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.373,24 1.5,25 11.164,26 16.794,28 2.5,29 14.885,33 13.007,34 8.1,35 10.571,36 66.234,37 6.163,38 237,39 59,40 4.094,41 4.779,42 7.28,43 4.748,44 4.578,45 9.275,46 3.466,48 32.37,49 6.447,50 1.5,51 4,52 23.728,53 0.185,54 9.928,55 9.928,56 1.399,57 4.421,58 4.421,59 21.324,60 242,62 4.724,63 54.711,64 4,65 3.976,66 7.641,67 7.641,68 5.526,70 8.398}
{0 CHEMBL84351,13 3,14 40.071,16 18.758,17 1,18 13.441,19 13.441,20 13.441,21 5,22 13.41,24 1.502,25 11.218,26 16.831,28 2.506,29 14.931,33 13.065,34 8.148,35 10.624,36 73.901,37 6.275,38 265,39 66,40 4.205,41 4.89,42 7.392,43 4.954,44 4.771,45 9.321,46 3.536,48 41.942,49 6.467,50 1.62,51 4,52 30.195,53 0.174,54 10.029,55 10.029,56 1.558,57 4.421,58 4.421,59 21.324,60 253,62 4.928,63 60.995,64 6,65 4.093,66 7.641,67 7.641,68 5.8,70 6.097}
{0 CHEMBL84374,13 1,14 26.411,16 19.203,17 1,18 14.308,19 14.308,20 14.308,21 6,22 13.583,24 1.5,25 11.591,26 17.218,28 2.5,29 15.252,33 13.314,34 8.516,35 10.981,36 61.224,37 6.151,38 234,39 58,40 4.078,41 4.762,42 7.303,43 4.532,44 4.364,45 9.674,46 3.372,48 25.31,49 7.641,50 1.601,52 19.649,53 0.193,54 13.441,55 13.441,56 1.272,57 4.562,58 4.562,59 22.192,60 170,62 4.528,63 48.37,64 3,65 3.889,66 7.716,67 7.716,68 5.26,70 6.745}
{0 CHEMBL85086,13 2,14 39.2,16 18.727,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.371,24 1.5,25 11.159,26 16.792,28 2.5,29 14.882,33 13.004,34 8.1,35 10.567,36 64.713,37 6.146,38 233,39 58,40 4.078,41 4.762,42 7.266,43 4.704,44 4.535,45 9.274,46 3.412,48 30.915,49 6.441,50 1.5,51 4,52 22.841,53 0.187,54 9.883,55 9.883,56 1.615,57 4.421,58 4.421,59 21.324,60 240,62 4.678,63 52.949,64 6,65 3.947,66 7.641,67 7.641,68 5.49,70 8.427}
{0 CHEMBL86419,13 1,14 39.577,16 19.291,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.723,24 1.5,25 11.699,26 17.317,28 2.524,29 15.364,33 13.439,34 8.622,35 11.088,36 71.178,37 6.263,38 262,39 65,40 4.19,41 4.875,42 7.422,43 4.615,44 4.463,45 9.792,46 3.386,48 24.607,49 7.642,50 1.766,52 21.101,53 0.187,54 13.442,55 13.442,56 1.065,57 4.578,58 4.578,59 22.431,60 232,62 4.602,63 51.784,64 3,65 3.958,66 7.748,67 7.748,68 5.336,70 7.398}
{0 CHEMBL87167,13 2,14 39.228,16 19.277,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.633,24 1.365,25 11.677,26 17.299,28 2.394,29 15.34,33 13.407,34 8.592,35 11.067,36 66.475,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.356,43 4.603,44 4.421,45 9.771,46 3.368,48 26.781,49 7.642,50 1.488,52 21.679,53 0.193,54 13.442,55 13.442,56 1.245,57 4.578,58 4.578,59 22.431,60 165,62 4.584,63 50.091,64 3,65 3.921,66 7.748,67 7.748,68 5.326,70 7}
{0 CHEMBL88159,13 1,14 39.182,16 19.128,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.634,24 1.5,25 11.588,26 17.173,28 2.525,29 15.238,33 13.329,34 8.527,35 10.989,36 69.574,37 6.225,38 252,39 63,40 4.159,41 4.844,42 7.381,43 4.608,44 4.432,45 9.697,46 3.406,48 26.698,49 7.268,50 1.769,52 21.878,53 0.188,54 12.282,55 12.282,56 0.98,57 4.578,58 4.578,59 22.431,60 198,62 4.602,63 51.33,64 3,65 3.95,66 7.748,67 7.748,68 5.326,70 6.229}
{0 CHEMBL88164,13 2,14 26.276,15 1,16 18.704,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.385,24 1.5,25 11.126,26 16.769,28 2.5,29 14.858,33 12.977,34 8.072,35 10.547,36 57.793,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.189,43 4.49,44 4.339,45 9.262,46 3.373,48 24.76,49 6.219,50 1.5,52 19.192,53 0.199,54 9.304,55 9.304,56 1.355,57 4.421,58 4.421,59 21.325,60 188,62 4.488,63 46.449,64 3,65 3.838,66 7.641,67 7.641,68 5.298,70 6.959}
{0 CHEMBL88197,13 2,14 26.316,16 18.653,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.323,24 1.5,25 11.073,26 16.712,28 2.5,29 14.795,33 12.91,34 8.015,35 10.492,36 55.568,37 6.014,38 204,39 51,40 3.951,41 4.635,42 7.146,43 4.512,44 4.336,45 9.197,46 3.365,48 25.408,49 6.178,50 1.5,52 19.438,53 0.201,54 9.197,55 9.197,56 1.512,57 4.421,58 4.421,59 21.325,60 178,62 4.507,63 46.512,64 3,65 3.83,66 7.641,67 7.641,68 5.265,70 7.097}
{0 CHEMBL88219,13 2,14 26.305,15 1,16 18.704,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.385,24 1.5,25 11.126,26 16.769,28 2.5,29 14.858,33 12.977,34 8.072,35 10.547,36 57.872,37 6.052,38 212,39 53,40 3.989,41 4.673,42 7.189,43 4.509,44 4.354,45 9.262,46 3.367,48 24.839,49 6.219,50 1.5,52 19.544,53 0.199,54 9.304,55 9.304,56 1.369,57 4.421,58 4.421,59 21.325,60 188,62 4.504,63 46.449,64 3,65 3.838,66 7.641,67 7.641,68 5.279,70 6.745}
{0 CHEMBL88261,13 1,14 39.519,16 19.323,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.732,24 1.696,25 11.729,26 17.345,28 2.656,29 15.387,33 13.455,34 8.635,35 11.109,36 70.113,37 6.248,38 258,39 64,40 4.174,41 4.86,42 7.41,43 4.608,44 4.442,45 9.81,46 3.382,48 24.675,49 7.697,50 1.775,52 20.915,53 0.189,54 13.72,55 13.72,56 1.021,57 4.578,58 4.578,59 22.652,60 185,62 4.586,63 50.426,64 3,65 3.936,66 7.748,67 7.748,68 5.27,70 7.097}
{0 CHEMBL88319,13 1,14 25.283,16 18.843,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.306,24 1.5,25 11.355,26 16.901,28 2.517,29 14.984,33 13.098,34 8.258,35 10.71,36 64.5,37 6.138,38 231,39 57,40 4.06,41 4.745,42 7.274,43 4.394,44 4.252,45 9.408,46 3.252,48 20.388,49 6.211,50 1.537,52 16.108,53 0.193,54 9.268,55 9.268,56 1.005,57 4.578,58 4.578,59 22.431,60 168,62 4.365,63 46.154,64 1,65 3.86,66 7.748,67 7.748,68 5.086,70 8.398}
{0 CHEMBL88344,13 1,14 39.432,16 19.287,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.717,24 1.658,25 11.695,26 17.312,28 2.616,29 15.357,33 13.43,34 8.612,35 11.084,36 70.001,37 6.244,38 257,39 64,40 4.174,41 4.86,42 7.407,43 4.596,44 4.429,45 9.787,46 3.384,48 24.656,49 7.643,50 1.769,52 20.805,53 0.189,54 13.454,55 13.454,56 1.072,57 4.578,58 4.578,59 22.431,60 185,62 4.591,63 50.426,64 3,65 3.936,66 7.748,67 7.748,68 5.266,70 7.155}
{0 CHEMBL88455,13 1,14 26.325,16 19.193,17 1,18 14.308,19 14.308,20 14.308,21 6,22 13.546,24 1.5,25 11.572,26 17.204,28 2.5,29 15.234,33 13.29,34 8.494,35 10.963,36 62.554,37 6.12,38 227,39 56,40 4.043,41 4.727,42 7.269,43 4.482,44 4.3,45 9.65,46 3.364,48 24.474,49 7.641,50 1.5,52 19.173,53 0.195,54 13.441,55 13.441,56 1.468,57 4.548,58 4.548,59 22.192,60 160,62 4.494,63 47.398,64 3,65 3.869,66 7.716,67 7.716,68 5.218,70 6.347}
{0 CHEMBL88644,13 2,14 39.553,16 19.277,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.633,24 1.405,25 11.678,26 17.299,28 2.419,29 15.34,33 13.408,34 8.592,35 11.067,36 68.048,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.376,43 4.648,44 4.462,45 9.766,46 3.387,48 28.777,49 7.641,50 1.491,52 23.033,53 0.19,54 13.441,55 13.441,56 1.216,57 4.578,58 4.578,59 22.431,60 175,62 4.628,63 51.853,64 3,65 3.951,66 7.748,67 7.748,68 5.391,70 7}
{0 CHEMBL88927,13 1,14 39.04,15 1,16 19.248,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.639,24 1.5,25 11.644,26 17.264,28 2.5,29 15.301,33 13.364,34 8.558,35 11.033,36 65.61,37 6.184,38 242,39 60,40 4.111,41 4.796,42 7.34,43 4.488,44 4.333,45 9.726,46 3.375,48 23.924,49 7.641,50 1.5,52 19.449,53 0.192,54 13.441,55 13.441,56 1.069,57 4.578,58 4.578,59 22.431,60 165,62 4.497,63 47.79,64 3,65 3.895,66 7.748,67 7.748,68 5.252,70 6.244}
{0 CHEMBL88928,13 2,14 39.176,16 19.239,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.558,24 1.415,25 11.63,26 17.252,28 2.471,29 15.284,33 13.342,34 8.537,35 11.017,36 63.818,37 6.155,38 235,39 58,40 4.078,41 4.762,42 7.307,43 4.613,44 4.411,45 9.705,46 3.379,48 29.91,49 7.641,50 1.485,52 22.93,53 0.193,54 13.441,55 13.441,56 1.211,57 4.578,58 4.578,59 22.431,60 158,62 4.607,63 50.137,64 3,65 3.919,66 7.748,67 7.748,68 5.446,70 6}
{0 CHEMBL88976,13 1,14 51.854,16 19.486,17 1,18 15.079,19 15.079,20 15.079,21 6,22 13.921,24 1.454,25 11.864,26 17.494,28 2.462,29 15.52,33 13.568,34 8.783,35 11.279,36 68.047,37 6.24,38 256,39 64,40 4.174,41 4.86,42 7.413,43 4.56,44 4.382,45 9.976,46 3.459,48 23.133,49 7.642,50 1.626,52 20.758,53 0.192,54 13.442,55 13.442,56 1.027,57 4.683,58 4.683,59 23.373,60 160,62 4.548,63 48.909,64 4,65 3.914,66 7.898,67 7.898,68 5.216,70 6.921}
{0 CHEMBL89167,13 1,14 39.15,16 19.277,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.685,24 1.5,25 11.678,26 17.299,28 2.523,29 15.34,33 13.408,34 8.592,35 11.067,36 68.048,37 6.217,38 250,39 62,40 4.143,41 4.828,42 7.376,43 4.551,44 4.389,45 9.766,46 3.367,48 23.86,49 7.641,50 1.721,52 19.947,53 0.19,54 13.441,55 13.441,56 1.062,57 4.578,58 4.578,59 22.431,60 175,62 4.544,63 48.813,64 3,65 3.905,66 7.748,67 7.748,68 5.251,70 7}
{0 CHEMBL89221,13 1,14 36.73,16 19.04,17 1,18 14.483,19 14.483,20 14.483,21 5,22 13.53,24 1,25 11.484,26 17.085,28 2,29 15.15,33 13.238,34 8.445,35 10.905,36 59.316,37 6.061,38 214,39 54,40 4.007,41 4.691,42 7.231,43 4.354,44 4.165,45 9.626,46 3.24,48 21.057,49 7.06,50 1.36,52 17.774,53 0.208,54 11.38,55 11.38,56 0.855,57 4.578,58 4.578,59 22.431,60 126,62 4.387,63 43.807,64 3,65 3.781,66 7.748,67 7.748,68 5.11,70 6.071}
{0 CHEMBL89251,13 1,14 38.465,16 19.123,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.629,24 1.5,25 11.572,26 17.162,28 2.52,29 15.22,33 13.305,34 8.512,35 10.97,36 66.12,37 6.18,38 241,39 60,40 4.111,41 4.796,42 7.336,43 4.481,44 4.322,45 9.674,46 3.379,48 22.162,49 7.293,50 1.719,52 18.669,53 0.192,54 12.406,55 12.406,56 0.969,57 4.578,58 4.578,59 22.431,60 169,62 4.457,63 47.807,64 1,65 3.893,66 7.748,67 7.748,68 5.165,69 16.405,70 6.638}
{0 CHEMBL89279,13 1,14 38.96,16 19.277,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.684,24 1.443,25 11.677,26 17.299,28 2.459,29 15.34,33 13.407,34 8.592,35 11.067,36 66.475,37 6.201,38 246,39 61,40 4.127,41 4.812,42 7.356,43 4.552,44 4.368,45 9.771,46 3.361,48 23.084,49 7.642,50 1.498,52 20.522,53 0.193,54 13.442,55 13.442,56 1.065,57 4.578,58 4.578,59 22.431,60 165,62 4.543,63 48.455,64 3,65 3.897,66 7.748,67 7.748,68 5.195,70 7.222}
{0 CHEMBL89445,16 17.105,18 9.489,19 9.489,20 9.489,21 3,22 12.39,24 -1.5,25 9.879,26 15.317,28 0.5,29 13.542,33 11.788,34 6.763,35 9.215,36 29.399,37 5.361,38 106,39 26,40 3.296,41 3.97,42 6.463,43 2.744,44 2.602,45 7.886,46 2.587,48 3.851,49 6.01,50 -1.5,52 2.805,53 0.266,54 8.601,55 8.601,56 1.453,57 3.929,58 3.929,59 15.917,60 42,62 3.033,63 21.063,65 3.111,66 6.263,67 6.263,68 3.499,70 4.569}
{0 CHEMBL89715,13 2,14 26.168,15 1,16 18.653,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.323,24 1.5,25 11.073,26 16.712,28 2.5,29 14.795,33 12.91,34 8.015,35 10.492,36 55.677,37 6.014,38 204,39 51,40 3.951,41 4.635,42 7.146,43 4.419,44 4.274,45 9.197,46 3.351,48 22.65,49 6.178,50 1.5,52 17.859,53 0.201,54 9.197,55 9.197,56 1.162,57 4.421,58 4.421,59 21.325,60 178,62 4.434,63 44.688,64 3,65 3.805,66 7.641,67 7.641,68 5.209,70 7}
{0 CHEMBL89929,13 1,14 39.178,16 19.276,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.655,24 1.5,25 11.673,26 17.293,28 2.523,29 15.329,33 13.39,34 8.579,35 11.055,36 65.681,37 6.188,38 243,39 60,40 4.111,41 4.796,42 7.344,43 4.543,44 4.369,45 9.748,46 3.374,48 24.772,49 7.642,50 1.611,52 20.08,53 0.192,54 13.441,55 13.441,56 1.271,57 4.578,58 4.578,59 22.431,60 165,62 4.546,63 48.711,64 3,65 3.904,66 7.748,67 7.748,68 5.252,70 5.699}
{0 CHEMBL89958,13 1,14 51.934,16 19.455,17 1,18 15.079,19 15.079,20 15.079,21 6,22 13.86,24 1.5,25 11.825,26 17.456,28 2.5,29 15.473,33 13.513,34 8.738,35 11.239,36 65.267,37 6.196,38 245,39 61,40 4.127,41 4.812,42 7.367,43 4.5,44 4.329,45 9.923,46 3.464,48 24.662,49 7.641,50 1.605,52 19.502,53 0.192,54 13.441,55 13.441,56 1.194,57 4.683,58 4.683,59 23.373,60 165,62 4.504,63 48.307,64 4,65 3.904,66 7.898,67 7.898,68 5.258,70 7.523}
{0 CHEMBL90015,13 3,16 17.722,17 2,18 10.452,19 10.452,20 10.452,21 5,22 12.656,24 1.432,25 10.525,26 15.933,28 2.444,29 14.16,33 12.41,34 7.402,35 9.871,36 51.521,37 5.948,38 191,39 47,40 3.871,41 4.554,42 7.048,43 4.34,44 4.153,45 8.558,46 3.079,48 22.872,49 6.143,50 1.5,51 1,52 15.892,53 0.201,54 9.054,55 9.054,56 1.099,57 4.09,58 4.09,59 17.307,60 145,62 4.391,63 43.194,65 3.773,66 6.559,67 6.559,68 5.119,70 6.593}
{0 CHEMBL90129,13 3,14 13.155,15 1,16 18.092,17 1,18 10.733,19 10.733,20 10.733,21 5,22 12.918,24 1.455,25 10.802,26 16.271,28 2.469,29 14.464,33 12.677,34 7.676,35 10.131,36 56.642,37 6.033,38 208,39 51,40 3.951,41 4.635,42 7.146,43 4.316,44 4.186,45 8.848,46 3.097,48 20.446,49 6.458,50 1.5,51 1,52 15.052,53 0.198,54 9.927,55 9.927,56 0.972,57 4.158,58 4.158,59 17.942,60 163,62 4.37,63 42.824,64 1,65 3.786,66 6.666,67 6.666,68 5.106,70 7.018}
{0 CHEMBL90141,13 2,14 26.429,16 18.663,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.333,24 1.5,25 11.088,26 16.724,28 2.5,29 14.809,33 12.926,34 8.032,35 10.504,36 56.758,37 6.038,38 209,39 52,40 3.97,41 4.654,42 7.166,43 4.577,44 4.397,45 9.209,46 3.381,48 27.461,49 6.184,50 1.5,52 20.758,53 0.198,54 9.227,55 9.227,56 1.528,57 4.421,58 4.421,59 21.325,60 188,62 4.561,63 48.273,64 3,65 3.862,66 7.641,67 7.641,68 5.35,70 6.959}
{0 CHEMBL90152,13 2,14 52.073,16 19.455,17 1,18 15.079,19 15.079,20 15.079,21 6,22 13.823,24 1.415,25 11.825,26 17.456,28 2.471,29 15.473,33 13.513,34 8.738,35 11.239,36 65.305,37 6.196,38 245,39 61,40 4.127,41 4.812,42 7.367,43 4.621,44 4.424,45 9.923,46 3.463,48 30.054,49 7.641,50 1.5,52 23.029,53 0.192,54 13.441,55 13.441,56 1.115,57 4.683,58 4.683,59 23.373,60 165,62 4.611,63 50.591,64 4,65 3.935,66 7.898,67 7.898,68 5.463,70 6}
{0 CHEMBL90272,13 1,14 38.024,16 19.245,17 1,18 14.483,19 14.483,20 14.483,21 5,22 13.613,24 1.205,25 11.627,26 17.268,28 2.303,29 15.309,33 13.375,34 8.564,35 11.032,36 61.965,37 6.125,38 228,39 57,40 4.06,41 4.745,42 7.292,43 4.479,44 4.298,45 9.743,46 3.245,48 23.808,49 7.59,50 1.478,52 19.453,53 0.203,54 13.086,55 13.086,56 1.277,57 4.578,58 4.578,59 22.431,60 145,62 4.472,63 46.574,64 6,65 3.826,66 7.748,67 7.748,68 5.238,70 6.469}
{0 CHEMBL90291,12 1,13 1,14 38.914,16 19.239,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.604,24 1.456,25 11.629,26 17.252,28 2.5,29 15.284,33 13.341,34 8.537,35 11.017,36 62.133,37 6.138,38 231,39 57,40 4.06,41 4.745,42 7.286,43 4.43,44 4.223,45 9.71,46 3.357,48 22.558,49 7.641,50 1.485,52 19.245,53 0.196,54 13.441,55 13.441,56 1.312,57 4.578,58 4.578,59 22.431,60 151,62 4.458,63 46.739,64 3,65 3.863,66 7.748,67 7.748,68 5.126,70 6.745}
{0 CHEMBL90385,12 1,13 1,14 39.994,16 19.333,17 1,18 14.483,19 14.483,20 14.483,21 8,22 13.821,24 1.768,25 11.755,26 17.365,28 2.701,29 15.417,33 13.496,34 8.669,35 11.142,36 74.712,37 6.326,38 279,39 69,40 4.248,41 4.934,42 7.484,43 4.651,44 4.486,45 9.848,46 3.414,47 1,48 26.197,49 7.644,50 1.887,52 21.657,53 0.181,54 13.459,55 13.459,56 1.119,57 4.578,58 4.578,59 22.431,60 205,62 4.628,63 52.574,64 3,65 3.991,66 7.748,67 7.748,68 5.342,69 16.786,70 7.155}
{0 CHEMBL90620,13 1,14 39.38,16 19.285,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.716,24 1.5,25 11.691,26 17.311,28 2.524,29 15.356,33 13.429,34 8.612,35 11.082,36 70.07,37 6.244,38 257,39 64,40 4.174,41 4.86,42 7.407,43 4.6,44 4.43,45 9.786,46 3.386,48 24.689,49 7.642,50 1.766,52 20.997,53 0.189,54 13.442,55 13.442,56 1.09,57 4.578,58 4.578,59 22.431,60 202,62 4.583,63 50.426,64 3,65 3.936,66 7.748,67 7.748,68 5.271,70 7.398}
{0 CHEMBL90691,13 2,14 26.346,16 18.673,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.369,24 1.5,25 11.109,26 16.737,28 2.5,29 14.826,33 12.947,34 8.05,35 10.526,36 57.556,37 6.047,38 211,39 53,40 3.989,41 4.673,42 7.185,43 4.522,44 4.363,45 9.238,46 3.358,48 23.83,49 6.206,50 1.5,52 19.17,53 0.199,54 9.32,55 9.32,56 1.19,57 4.421,58 4.421,59 21.325,60 188,62 4.516,63 46.466,64 3,65 3.833,66 7.641,67 7.641,68 5.215,70 6.523}
{0 CHEMBL90747,13 1,14 38.912,16 19.239,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.604,24 1.456,25 11.629,26 17.252,28 2.5,29 15.284,33 13.341,34 8.537,35 11.017,36 62.133,37 6.138,38 231,39 57,40 4.06,41 4.745,42 7.286,43 4.434,44 4.223,45 9.71,46 3.353,48 22.703,49 7.641,50 1.485,52 19.073,53 0.196,54 13.441,55 13.441,56 1.289,57 4.578,58 4.578,59 22.431,60 151,62 4.459,63 46.739,64 3,65 3.863,66 7.748,67 7.748,68 5.122,70 7}
{0 CHEMBL90841,13 2,14 26.151,16 18.635,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.276,24 1.5,25 11.041,26 16.688,28 2.5,29 14.765,33 12.874,34 7.978,35 10.462,36 53.868,37 5.979,38 197,39 49,40 3.912,41 4.595,42 7.106,43 4.374,44 4.208,45 9.158,46 3.333,48 21.871,49 6.155,50 1.5,52 16.335,53 0.203,54 9.1,55 9.1,56 1.486,57 4.421,58 4.421,59 21.324,60 168,62 4.396,63 43.995,64 3,65 3.779,66 7.641,67 7.641,68 5.146,70 5}
{0 CHEMBL91045,13 1,14 39.031,16 19.106,17 1,18 14.483,19 14.483,20 14.483,21 5,22 13.567,24 1.465,25 11.55,26 17.146,28 2.474,29 15.206,33 13.292,34 8.494,35 10.955,36 68.146,37 6.192,38 244,39 61,40 4.127,41 4.812,42 7.335,43 4.689,44 4.498,45 9.663,46 3.422,48 30.401,49 7.252,50 1.498,52 24.559,53 0.189,54 12.167,55 12.167,56 1.057,57 4.578,58 4.578,59 22.431,60 292,62 4.679,63 56.137,64 3,65 3.999,66 7.748,67 7.748,68 5.474,70 5.854}
{0 CHEMBL91339,13 3,16 17.962,17 2,18 10.512,19 10.512,20 10.512,21 6,22 12.951,24 1.5,25 10.757,26 16.17,28 2.5,29 14.395,33 12.64,34 7.636,35 10.095,36 62.304,37 6.142,38 232,39 57,40 4.06,41 4.745,42 7.248,43 4.62,44 4.446,45 8.788,46 3.514,48 29.452,49 6.146,50 1.5,51 1,52 20.489,53 0.183,54 9.082,55 9.082,56 1.107,57 4.113,58 4.113,59 17.456,60 199,62 4.635,63 50.717,65 3.943,66 6.574,67 6.574,68 5.378,70 6}
{0 CHEMBL91374,13 1,14 52.164,16 19.472,17 1,18 15.079,19 15.079,20 15.079,21 6,22 13.913,24 1.617,25 11.856,26 17.479,28 2.592,29 15.504,33 13.552,34 8.772,35 11.269,36 69.146,37 6.252,38 259,39 65,40 4.19,41 4.875,42 7.428,43 4.592,44 4.437,45 9.96,46 3.464,48 24.832,49 7.641,50 1.686,52 20.867,53 0.189,54 13.441,55 13.441,56 1.035,57 4.683,58 4.683,59 23.373,60 179,62 4.578,63 50.023,64 4,65 3.937,66 7.898,67 7.898,68 5.287,70 6.959}
{0 CHEMBL91413,13 2,14 26.275,16 18.961,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.497,24 1.5,25 11.345,26 17.013,28 2.5,29 15.082,33 13.178,34 8.333,35 10.812,36 60.628,37 6.111,38 225,39 57,40 4.06,41 4.745,42 7.266,43 4.504,44 4.387,45 9.534,46 3.369,48 23.592,49 7.118,50 1.506,52 19.755,53 0.196,54 11.701,55 11.701,56 1.014,57 4.421,58 4.421,59 21.325,60 208,62 4.5,63 46.324,64 3,65 3.855,66 7.641,67 7.641,68 5.305,70 6.301}
{0 CHEMBL91522,13 2,14 26.064,16 18.635,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.274,24 1.107,25 11.04,26 16.688,28 2.181,29 14.764,33 12.872,34 7.978,35 10.461,36 52.354,37 5.958,38 193,39 48,40 3.892,41 4.575,42 7.079,43 4.362,44 4.148,45 9.167,46 3.319,48 21.582,49 6.158,50 1.456,52 17.511,53 0.206,54 9.107,55 9.107,56 1.525,57 4.421,58 4.421,59 21.324,60 158,62 4.395,63 43.637,64 3,65 3.77,66 7.641,67 7.641,68 5.062,70 7}
{0 CHEMBL91697,13 4,16 17.964,17 2,18 10.631,19 10.631,20 10.631,21 5,22 12.751,24 1.445,25 10.697,26 16.152,28 2.455,29 14.355,33 12.578,34 7.57,35 10.032,36 53.591,37 5.994,38 200,39 49,40 3.912,41 4.595,42 7.101,43 4.448,44 4.257,45 8.737,46 3.211,48 25.318,49 6.3,50 1.5,51 1,52 17.614,53 0.199,54 9.367,55 9.367,56 1.121,57 4.134,58 4.134,59 17.644,60 154,62 4.477,63 44.955,65 3.807,66 6.62,67 6.62,68 5.217,70 6.319}
{0 CHEMBL91793,13 3,14 13.386,16 18.019,17 1,18 10.637,19 10.637,20 10.637,21 5,22 12.902,24 1.455,25 10.763,26 16.212,28 2.469,29 14.42,33 12.648,34 7.65,35 10.097,36 57.884,37 6.052,38 212,39 52,40 3.97,41 4.654,42 7.162,43 4.396,44 4.252,45 8.813,46 3.117,48 22.267,49 6.313,50 1.5,51 1,52 15.997,53 0.195,54 9.443,55 9.443,56 1.132,57 4.143,58 4.143,59 17.676,60 172,62 4.421,63 45.103,64 1,65 3.821,66 6.621,67 6.621,68 5.166,70 6.854}
{0 CHEMBL91892,13 2,14 26.45,16 18.673,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.369,24 1.5,25 11.109,26 16.737,28 2.5,29 14.826,33 12.947,34 8.05,35 10.526,36 57.281,37 6.047,38 211,39 53,40 3.989,41 4.673,42 7.185,43 4.593,44 4.419,45 9.238,46 3.372,48 27.392,49 6.206,50 1.5,52 21.136,53 0.199,54 9.32,55 9.32,56 1.484,57 4.421,58 4.421,59 21.325,60 188,62 4.572,63 48.273,64 3,65 3.862,66 7.641,67 7.641,68 5.34,70 6.796}
{0 CHEMBL92013,13 3,14 38.938,16 18.73,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.315,24 1.344,25 11.164,26 16.794,28 2.37,29 14.883,33 13.002,34 8.1,35 10.569,36 62.294,37 6.111,38 225,39 56,40 4.043,41 4.727,42 7.229,43 4.645,44 4.441,45 9.284,46 3.382,48 32.58,49 6.464,50 1.5,51 4,52 23.047,53 0.192,54 10.011,55 10.011,56 1.471,57 4.421,58 4.421,59 21.324,60 172,62 4.733,63 51.711,64 6,65 3.918,66 7.641,67 7.641,68 5.577,70 7.658}
{0 CHEMBL92094,13 2,14 26.291,16 18.651,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.322,24 1.5,25 11.067,26 16.709,28 2.5,29 14.793,33 12.909,34 8.015,35 10.489,36 55.477,37 6.014,38 204,39 51,40 3.951,41 4.635,42 7.146,43 4.494,44 4.312,45 9.195,46 3.372,48 25.496,49 6.16,50 1.5,52 19.066,53 0.201,54 9.116,55 9.116,56 1.515,57 4.421,58 4.421,59 21.324,60 178,62 4.491,63 46.512,64 3,65 3.83,66 7.641,67 7.641,68 5.276,70 6.699}
{0 CHEMBL92133,13 3,14 13.968,16 18.263,17 1,18 11.053,19 11.053,20 11.053,21 6,22 13.1,24 1.5,25 10.976,26 16.433,28 2.5,29 14.619,33 12.825,34 7.83,35 10.285,36 65.377,37 6.184,38 242,39 59,40 4.094,41 4.779,42 7.295,43 4.582,44 4.43,45 8.987,46 3.525,48 27.041,49 6.546,50 1.5,51 1,52 19.418,53 0.182,54 10.376,55 10.376,56 1.39,57 4.193,58 4.193,59 18.496,60 208,62 4.614,63 50.41,64 1,65 3.946,66 6.765,67 6.765,68 5.33,70 7.051}
{0 CHEMBL92147,13 1,14 39.252,16 19.26,17 1,18 14.483,19 14.483,20 14.483,21 6,22 13.674,24 1.5,25 11.668,26 17.28,28 2.523,29 15.321,33 13.389,34 8.579,35 11.055,36 67.607,37 6.213,38 249,39 62,40 4.143,41 4.828,42 7.372,43 4.584,44 4.424,45 9.751,46 3.379,48 24.772,49 7.641,50 1.677,52 20.651,53 0.19,54 13.441,55 13.441,56 1.078,57 4.578,58 4.578,59 22.431,60 175,62 4.573,63 49.568,64 3,65 3.92,66 7.748,67 7.748,68 5.267,70 7.046}
{0 CHEMBL92791,13 2,14 26.343,16 18.661,17 1,18 13.441,19 13.441,20 13.441,21 4,22 13.332,24 1.5,25 11.082,26 16.721,28 2.5,29 14.807,33 12.925,34 8.032,35 10.5,36 57.081,37 6.038,38 209,39 52,40 3.97,41 4.654,42 7.166,43 4.495,44 4.331,45 9.206,46 3.358,48 24.908,49 6.161,50 1.5,52 18.811,53 0.198,54 9.122,55 9.122,56 1.32,57 4.421,58 4.421,59 21.324,60 188,62 4.481,63 46.966,64 3,65 3.839,66 7.641,67 7.641,68 5.272,70 6}
{0 CHEMBL92803,13 3,14 26.16,16 18.137,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.96,24 1.5,25 10.859,26 16.325,28 2.5,29 14.527,33 12.75,34 7.748,35 10.191,36 65.498,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.262,43 4.621,44 4.472,45 8.908,46 3.343,48 28.27,49 6.441,50 1.5,51 5,52 19.962,53 0.184,54 9.882,55 9.882,56 1.553,57 4.14,58 4.14,59 17.644,60 228,62 4.625,63 51.086,64 4,65 3.931,66 6.62,67 6.62,68 5.423,70 8.301}
{0 CHEMBL92861,13 4,14 13.327,16 17.964,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.703,24 1,25 10.697,26 16.152,28 2.065,29 14.355,33 12.578,34 7.57,35 10.032,36 54.523,37 5.994,38 200,39 49,40 3.912,41 4.595,42 7.101,43 4.418,44 4.242,45 8.737,46 3.148,48 24.46,49 6.3,50 1.375,51 1,52 17.031,53 0.199,54 9.367,55 9.367,56 1.568,57 4.14,58 4.14,59 17.644,60 154,62 4.455,63 45.171,64 1,65 3.813,66 6.62,67 6.62,68 5.248,70 7.469}
{0 CHEMBL93139,13 1,14 61.561,16 19.15,17 1,18 13.634,19 13.634,20 13.634,21 4,22 13.654,24 1.689,25 11.545,26 17.191,28 2.66,29 15.252,33 13.34,34 8.504,35 10.959,36 74.588,37 6.282,38 267,39 67,40 4.22,41 4.905,42 7.424,43 4.812,44 4.645,45 9.674,46 3.463,48 35.921,49 7.454,50 1.728,51 4,52 26.092,53 0.179,54 13.046,55 13.046,56 1.331,57 4.506,58 4.506,59 21.681,60 301,62 4.815,63 56.864,64 7,65 4.024,66 7.664,67 7.664,68 5.643,70 9}
{0 CHEMBL93168,13 3,14 13.365,16 18.092,17 1,18 10.733,19 10.733,20 10.733,21 5,22 12.918,24 1.455,25 10.802,26 16.271,28 2.469,29 14.464,33 12.677,34 7.676,35 10.131,36 56.619,37 6.033,38 208,39 51,40 3.951,41 4.635,42 7.146,43 4.378,44 4.217,45 8.848,46 3.097,48 21.443,49 6.458,50 1.5,51 1,52 16.166,53 0.198,54 9.927,55 9.927,56 1.23,57 4.154,58 4.154,59 17.942,60 163,62 4.419,63 44.239,64 1,65 3.8,66 6.666,67 6.666,68 5.097,70 7.319}
{0 CHEMBL93229,13 3,14 13.142,16 17.86,17 1,18 10.546,19 10.546,20 10.546,21 5,22 12.776,24 1.487,25 10.632,26 16.065,28 2.498,29 14.285,33 12.525,34 7.516,35 9.978,36 55.794,37 6.009,38 203,39 50,40 3.932,41 4.615,42 7.112,43 4.379,44 4.213,45 8.679,46 3.231,48 23.01,49 6.143,50 1.5,51 1,52 16.39,53 0.197,54 9.055,55 9.055,56 1.172,57 4.118,58 4.118,59 17.428,60 163,62 4.419,63 44.648,64 1,65 3.812,66 6.588,67 6.588,68 5.165,70 6.81}
{0 CHEMBL93277,13 3,16 17.717,17 2,18 10.445,19 10.445,20 10.445,21 5,22 12.661,24 1.452,25 10.519,26 15.931,28 2.46,29 14.161,33 12.415,34 7.402,35 9.871,36 54.062,37 5.989,38 199,39 49,40 3.912,41 4.595,42 7.083,43 4.446,44 4.244,45 8.553,46 3.327,48 25.917,49 6.143,50 1.5,51 1,52 18.01,53 0.196,54 9.054,55 9.054,56 1.082,57 4.086,58 4.086,59 17.296,60 167,62 4.453,63 46.717,65 3.841,66 6.558,67 6.558,68 5.244,70 6}
{0 CHEMBL93457,13 4,14 12.954,16 17.968,17 1,18 10.633,19 10.633,20 10.633,21 5,22 12.709,24 1,25 10.699,26 16.155,28 2,29 14.355,33 12.575,34 7.57,35 10.048,36 51.329,37 5.953,38 192,39 47,40 3.871,41 4.554,42 7.107,43 4.277,44 4.108,45 8.757,46 3.045,48 20.874,49 6.307,50 1.168,51 1,52 14.633,53 0.205,54 9.391,55 9.391,56 1.577,57 4.144,58 4.144,59 17.633,60 136,62 4.325,63 41.648,64 1,65 3.743,66 6.621,67 6.621,68 5.094,70 7.319}
{0 CHEMBL93625,13 3,14 13.341,16 18.621,17 1,18 12.446,19 12.446,20 12.446,21 5,22 13.173,24 1.5,25 11.185,26 16.733,28 2.5,29 14.862,33 13.013,34 8.115,35 10.584,36 61.176,37 6.129,38 229,39 57,40 4.06,41 4.745,42 7.266,43 4.38,44 4.274,45 9.309,46 3.099,48 21.059,49 6.61,50 1.5,51 1,52 16.265,53 0.193,54 10.585,55 10.585,56 0.852,57 4.314,58 4.314,59 20.292,60 190,62 4.435,63 44.461,64 1,65 3.837,66 7.288,67 7.288,68 5.191,70 7.013}
{0 CHEMBL93644,13 3,14 13.03,16 17.86,17 1,18 10.546,19 10.546,20 10.546,21 5,22 12.776,24 1.487,25 10.632,26 16.065,28 2.498,29 14.285,33 12.525,34 7.516,35 9.978,36 55.712,37 6.009,38 203,39 50,40 3.932,41 4.615,42 7.112,43 4.331,44 4.178,45 8.679,46 3.136,48 21.434,49 6.143,50 1.5,51 1,52 15.03,53 0.197,54 9.055,55 9.055,56 1.252,57 4.115,58 4.115,59 17.428,60 163,62 4.381,63 43.893,64 1,65 3.793,66 6.588,67 6.588,68 5.141,69 18.011,70 6.215}
{0 CHEMBL93691,13 3,16 17.767,17 2,18 10.481,19 10.481,20 10.481,21 5,22 12.741,24 1.433,25 10.578,26 15.982,28 2.444,29 14.214,33 12.468,34 7.466,35 9.926,36 53.224,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.091,43 4.404,44 4.208,45 8.628,46 3.079,48 23.623,49 6.143,50 1.5,51 1,52 17.349,53 0.199,54 9.055,55 9.055,56 0.948,57 4.098,58 4.098,59 17.382,60 154,62 4.442,63 44.546,65 3.796,66 6.566,67 6.566,68 5.126,70 6}
{0 CHEMBL93851,13 3,14 26.311,16 18.246,17 1,18 10.734,19 10.734,20 10.734,21 5,22 13.051,24 1.5,25 10.949,26 16.425,28 2.5,29 14.62,33 12.834,34 7.837,35 10.276,36 67.415,37 6.192,38 244,39 60,40 4.111,41 4.796,42 7.3,43 4.649,44 4.503,45 9.002,46 3.343,48 28.411,49 6.458,50 1.697,51 5,52 20.513,53 0.183,54 9.931,55 9.931,56 1.39,57 4.155,58 4.155,59 17.943,60 240,62 4.648,63 51.944,64 4,65 3.947,66 6.666,67 6.666,68 5.43,70 8.699}
{0 CHEMBL93887,13 3,16 17.832,17 1,18 10.58,19 10.58,20 10.58,21 5,22 12.686,24 1.257,25 10.594,26 16.027,28 2.289,29 14.237,33 12.468,34 7.466,35 9.929,36 50.507,37 5.932,38 188,39 46,40 3.85,41 4.533,42 7.036,43 4.292,44 4.109,45 8.621,46 3.018,48 21.019,49 6.143,50 1.491,51 1,52 14.664,53 0.204,54 9.055,55 9.055,56 1.107,57 4.118,58 4.118,59 17.465,60 136,62 4.331,63 41.432,65 3.737,66 6.595,67 6.595,68 5.028,70 6}
{0 CHEMBL93949,13 3,14 13.267,16 18,17 1,18 10.636,19 10.636,20 10.636,21 5,22 12.887,24 1.455,25 10.742,26 16.192,28 2.469,29 14.4,33 12.627,34 7.624,35 10.079,36 56.434,37 6.028,38 207,39 51,40 3.951,41 4.635,42 7.141,43 4.35,44 4.198,45 8.796,46 3.104,48 21.126,49 6.311,50 1.5,51 1,52 15.439,53 0.198,54 9.426,55 9.426,56 1.201,57 4.142,58 4.142,59 17.672,60 163,62 4.41,63 43.745,64 1,65 3.796,66 6.621,67 6.621,68 5.098,70 7.027}
{0 CHEMBL93961,13 4,14 26.056,16 18.25,17 1,18 10.734,19 10.734,20 10.734,21 5,22 12.973,24 1.321,25 10.955,26 16.428,28 2.335,29 14.62,33 12.832,34 7.837,35 10.278,36 64.92,37 6.159,38 236,39 58,40 4.078,41 4.762,42 7.265,43 4.587,44 4.406,45 9.016,46 3.261,48 30.696,49 6.466,50 1.5,51 5,52 21.148,53 0.188,54 10.013,55 10.013,56 1.251,57 4.155,58 4.155,59 17.943,60 172,62 4.705,63 50.705,64 4,65 3.918,66 6.666,67 6.666,68 5.523,70 7.921}
{0 CHEMBL94031,13 3,16 17.761,17 2,18 10.455,19 10.455,20 10.455,21 5,22 12.739,24 1.448,25 10.568,26 15.978,28 2.456,29 14.211,33 12.466,34 7.466,35 9.919,36 53.526,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.091,43 4.375,44 4.189,45 8.623,46 3.079,48 23.243,49 6.143,50 1.5,51 1,52 16.496,53 0.199,54 9.054,55 9.054,56 0.869,57 4.094,58 4.094,59 17.315,60 154,62 4.43,63 44.052,65 3.792,66 6.561,67 6.561,68 5.131,70 6}
{0 CHEMBL94032,13 3,16 17.767,17 2,18 10.481,19 10.481,20 10.481,21 5,22 12.741,24 1.433,25 10.578,26 15.982,28 2.444,29 14.214,33 12.468,34 7.466,35 9.926,36 53.294,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.091,43 4.381,44 4.198,45 8.628,46 3.079,48 23.233,49 6.143,50 1.5,51 1,52 16.495,53 0.199,54 9.055,55 9.055,56 0.841,57 4.098,58 4.098,59 17.382,60 154,62 4.424,63 44.052,65 3.792,66 6.566,67 6.566,68 5.129,70 6.092}
{0 CHEMBL94179,13 4,14 13.174,16 17.965,17 1,18 10.632,19 10.632,20 10.632,21 5,22 12.703,24 1,25 10.695,26 16.152,28 2,29 14.354,33 12.575,34 7.57,35 10.031,36 53.09,37 5.974,38 196,39 48,40 3.892,41 4.575,42 7.074,43 4.35,44 4.181,45 8.751,46 3.079,48 22.492,49 6.301,50 1.267,51 1,52 15.698,53 0.202,54 9.371,55 9.371,56 1.611,57 4.141,58 4.141,59 17.65,60 145,62 4.395,63 43.41,64 1,65 3.778,66 6.62,67 6.62,68 5.167,70 7.721}
{0 CHEMBL94182,12 1,13 3,14 13.045,16 17.965,17 1,18 10.632,19 10.632,20 10.632,21 5,22 12.81,24 1,25 10.695,26 16.152,28 2.118,29 14.354,33 12.575,34 7.57,35 10.031,36 53.215,37 5.974,38 196,39 48,40 3.892,41 4.575,42 7.074,43 4.288,44 4.113,45 8.751,46 3.055,48 19.473,49 6.301,50 1.409,51 1,52 15.004,53 0.202,54 9.371,55 9.371,56 1.28,57 4.136,58 4.136,59 17.65,60 145,62 4.332,63 41.773,64 1,65 3.75,66 6.62,67 6.62,68 5.002,70 7.337}
{0 CHEMBL96217,13 3,15 1,16 17.767,17 2,18 10.481,19 10.481,20 10.481,21 5,22 12.741,24 1.433,25 10.578,26 15.982,28 2.444,29 14.214,33 12.468,34 7.466,35 9.926,36 53.25,37 5.984,38 198,39 49,40 3.912,41 4.595,42 7.091,43 4.337,44 4.174,45 8.628,46 3.079,48 22.352,49 6.143,50 1.5,51 1,52 15.977,53 0.199,54 9.055,55 9.055,56 0.686,57 4.099,58 4.099,59 17.382,60 154,62 4.388,63 43.131,65 3.782,66 6.566,67 6.566,68 5.134,70 6.824}
{0 CHEMBL96242,13 5,14 26.072,16 18.142,17 1,18 10.631,19 10.631,20 10.631,21 5,22 12.77,24 1.004,25 10.866,26 16.327,28 2.076,29 14.527,33 12.747,34 7.748,35 10.193,36 62.839,37 6.125,38 228,39 56,40 4.043,41 4.727,42 7.225,43 4.636,44 4.434,45 8.923,46 3.263,48 32.667,49 6.464,50 1.313,51 5,52 21.556,53 0.189,54 10.011,55 10.011,56 1.432,57 4.14,58 4.14,59 17.644,60 165,62 4.744,63 52.131,64 4,65 3.933,66 6.62,67 6.62,68 5.622,70 7.77}
{0 CHEMBL964,16 16.851,18 8.49,19 8.49,20 8.49,22 11.685,24 -1.89,25 9.483,26 15.077,28 -0.618,29 13.31,33 11.556,34 6.581,35 8.86,36 25.084,37 4.977,38 72,39 18,40 2.944,41 3.611,42 6.043,43 3.238,44 2.963,45 7.702,46 2.912,48 6.452,49 5.965,50 -1.618,52 6.222,53 0.342,54 8.286,55 8.286,56 0.936,57 3.654,58 3.654,59 14.46,60 34,62 3.242,63 25.455,65 3.043,66 6.026,67 6.026,68 3.899,70 4.682}
{0 CHEMBL99384,16 18.042,18 11.555,19 11.555,20 11.555,21 6,22 13.046,24 -1.5,25 10.652,26 16.177,28 0.185,29 14.325,33 12.489,34 7.509,35 9.952,36 31.175,37 5.509,38 123,39 30,40 3.434,41 4.111,42 6.673,43 2.758,44 2.507,45 8.698,46 2.773,48 4.893,49 6.45,50 -1.465,52 3.447,53 0.278,54 9.773,55 9.773,56 1.466,57 4.266,58 4.266,59 19.22,60 38,62 3.001,63 23.341,65 3.188,66 6.91,67 6.91,68 3.55,70 6}
{0 CHEMBL99788,11 1,13 4,14 13.084,16 18.478,17 2,18 11.778,19 11.778,20 11.778,21 5,22 12.979,24 1.392,25 11.125,26 16.61,28 2.394,29 14.759,33 12.931,34 8.087,35 10.503,36 64.731,37 6.168,38 238,39 59,40 4.094,41 4.779,42 7.287,43 4.791,44 4.621,45 9.223,46 3.342,48 36.312,49 6.794,50 1.5,51 5,52 25.123,53 0.185,54 11.192,55 11.192,56 1.049,57 4.243,58 4.243,59 18.815,60 246,62 4.821,63 54.887,64 1,65 3.989,66 6.972,67 6.972,68 5.673,69 42.683,70 9}
{0 CHEMBL99909,1 3,2 1,3 1,4 2,5 1,6 2,7 1,8 1,9 1,11 1,13 5,14 12.374,16 18.046,17 2,18 11.108,19 11.108,20 11.108,21 5,22 12.737,23 4,24 1.188,25 10.785,26 16.226,27 1,28 2.208,29 14.423,30 2,31 1,32 1,33 12.645,34 7.659,35 10.105,36 59.564,37 6.084,38 219,39 54,40 4.007,41 4.691,42 7.179,43 4.642,44 4.47,45 8.817,46 3.325,48 30.7,49 6.482,50 1.5,51 1,52 21.263,53 0.19,54 10.095,55 10.095,56 0.867,57 4.18,58 4.18,59 18.142,60 220,61 1,62 4.652,63 50.91,65 3.922,66 6.774,67 6.774,68 5.479,69 42.683,70 9.699}