@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5147

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1075666,CHEMBL1075667,CHEMBL1076138,CHEMBL1079448,CHEMBL1079452,CHEMBL1079482,CHEMBL1079500,CHEMBL1079501,CHEMBL1079621,CHEMBL1079750,CHEMBL1079751,CHEMBL1079794,CHEMBL1079795,CHEMBL1079809,CHEMBL1079810,CHEMBL1079846,CHEMBL1079850,CHEMBL1079960,CHEMBL1080000,CHEMBL1080024,CHEMBL1080190,CHEMBL1080191,CHEMBL1080206,CHEMBL1080207,CHEMBL1080353,CHEMBL1080359,CHEMBL1080360,CHEMBL1080362,CHEMBL1080530,CHEMBL1080639,CHEMBL1080640,CHEMBL1080668,CHEMBL1080669,CHEMBL1080841,CHEMBL1080872,CHEMBL1081013,CHEMBL1081024,CHEMBL1081025,CHEMBL1081054,CHEMBL1081061,CHEMBL1081062,CHEMBL1081198,CHEMBL1081205,CHEMBL1081222,CHEMBL1081228,CHEMBL1081312,CHEMBL1081402,CHEMBL1081403,CHEMBL1081568,CHEMBL1081573,CHEMBL1081740,CHEMBL1081754,CHEMBL1081916,CHEMBL1082107,CHEMBL1082108,CHEMBL1173655,CHEMBL119385,CHEMBL1230020,CHEMBL1230790,CHEMBL1233881,CHEMBL1233882,CHEMBL1234815,CHEMBL1236107,CHEMBL1236772,CHEMBL1240544,CHEMBL1240545,CHEMBL1240553,CHEMBL1240554,CHEMBL1240565,CHEMBL1240566,CHEMBL1240703,CHEMBL1241241,CHEMBL1241270,CHEMBL1241271,CHEMBL1241299,CHEMBL1241300,CHEMBL1241301,CHEMBL1241390,CHEMBL1241391,CHEMBL1241439,CHEMBL1241481,CHEMBL1241482,CHEMBL1241483,CHEMBL1241484,CHEMBL1241485,CHEMBL1241486,CHEMBL1241487,CHEMBL1241490,CHEMBL1241491,CHEMBL1241492,CHEMBL1241578,CHEMBL1241579,CHEMBL1241580,CHEMBL1241581,CHEMBL1241582,CHEMBL1241583,CHEMBL1241586,CHEMBL1241587,CHEMBL1241588,CHEMBL1241674,CHEMBL1241675,CHEMBL1241676,CHEMBL1241677,CHEMBL1241678,CHEMBL1241679,CHEMBL1241680,CHEMBL1241681,CHEMBL1241682,CHEMBL1241683,CHEMBL1241684,CHEMBL1241767,CHEMBL1241768,CHEMBL1241769,CHEMBL1241770,CHEMBL1241771,CHEMBL1241772,CHEMBL1241773,CHEMBL1241774,CHEMBL1241775,CHEMBL1241776,CHEMBL1241858,CHEMBL1241859,CHEMBL1241860,CHEMBL1241861,CHEMBL1241862,CHEMBL1241863,CHEMBL1241864,CHEMBL1241943,CHEMBL1241944,CHEMBL1241945,CHEMBL1241946,CHEMBL1241947,CHEMBL1241948,CHEMBL1241949,CHEMBL1241950,CHEMBL1242024,CHEMBL1242025,CHEMBL1242026,CHEMBL1242027,CHEMBL1242028,CHEMBL1242029,CHEMBL1242030,CHEMBL1242031,CHEMBL1242032,CHEMBL1242033,CHEMBL1242034,CHEMBL1242109,CHEMBL1242110,CHEMBL1242111,CHEMBL1242112,CHEMBL1242113,CHEMBL1242114,CHEMBL1242115,CHEMBL1242117,CHEMBL1242118,CHEMBL1242119,CHEMBL1242198,CHEMBL1242199,CHEMBL1242200,CHEMBL1242201,CHEMBL1242202,CHEMBL1242203,CHEMBL1242207,CHEMBL1242208,CHEMBL1242209,CHEMBL1242285,CHEMBL1242286,CHEMBL1242287,CHEMBL1242288,CHEMBL1242289,CHEMBL1242290,CHEMBL1242293,CHEMBL1242294,CHEMBL1242295,CHEMBL1242376,CHEMBL1242377,CHEMBL1242378,CHEMBL1242379,CHEMBL1242380,CHEMBL1242381,CHEMBL1242384,CHEMBL1242385,CHEMBL1242386,CHEMBL1242468,CHEMBL1242469,CHEMBL1242470,CHEMBL1242471,CHEMBL1242472,CHEMBL1242475,CHEMBL1242476,CHEMBL1242477,CHEMBL1242566,CHEMBL1242568,CHEMBL1242569,CHEMBL1242572,CHEMBL1242573,CHEMBL1242574,CHEMBL1242656,CHEMBL1242657,CHEMBL1242658,CHEMBL1242659,CHEMBL1242660,CHEMBL1242661,CHEMBL1242662,CHEMBL1242663,CHEMBL1242664,CHEMBL1242665,CHEMBL1242666,CHEMBL1242748,CHEMBL1242749,CHEMBL1242750,CHEMBL1242751,CHEMBL1242752,CHEMBL1242753,CHEMBL1242754,CHEMBL1242755,CHEMBL1242756,CHEMBL1242757,CHEMBL1242758,CHEMBL1242844,CHEMBL1242845,CHEMBL1242846,CHEMBL1242847,CHEMBL1242848,CHEMBL1242852,CHEMBL1242853,CHEMBL1242977,CHEMBL1243200,CHEMBL1243326,CHEMBL124660,CHEMBL1269858,CHEMBL1269859,CHEMBL1269964,CHEMBL1269965,CHEMBL1270075,CHEMBL1270076,CHEMBL1270182,CHEMBL1270183,CHEMBL1270279,CHEMBL1270280,CHEMBL1270378,CHEMBL1270379,CHEMBL1270569,CHEMBL1270670,CHEMBL1270671,CHEMBL1270772,CHEMBL1270773,CHEMBL1270874,CHEMBL1270975,CHEMBL1270976,CHEMBL1271081,CHEMBL1271082,CHEMBL1271186,CHEMBL1271187,CHEMBL1271287,CHEMBL1271288,CHEMBL1271393,CHEMBL1271394,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1421,CHEMBL14762,CHEMBL1614701,CHEMBL162,CHEMBL1650533,CHEMBL1650545,CHEMBL1650551,CHEMBL1651521,CHEMBL1651522,CHEMBL1651523,CHEMBL169186,CHEMBL1721885,CHEMBL1738764,CHEMBL1762521,CHEMBL1762522,CHEMBL1762523,CHEMBL1762524,CHEMBL1762525,CHEMBL1762526,CHEMBL1762527,CHEMBL1762528,CHEMBL1762529,CHEMBL1762530,CHEMBL1762531,CHEMBL1762532,CHEMBL1762533,CHEMBL1762534,CHEMBL1762535,CHEMBL1762536,CHEMBL1762537,CHEMBL1762538,CHEMBL1762539,CHEMBL1762540,CHEMBL1762541,CHEMBL1762542,CHEMBL1762543,CHEMBL1762544,CHEMBL1762545,CHEMBL1762546,CHEMBL1762547,CHEMBL1762548,CHEMBL1762549,CHEMBL1762550,CHEMBL1762551,CHEMBL1789941,CHEMBL180022,CHEMBL1834657,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1929238,CHEMBL1945559,CHEMBL1957190,CHEMBL2012519,CHEMBL201511,CHEMBL2086751,CHEMBL2086760,CHEMBL215152,CHEMBL2152698,CHEMBL2152699,CHEMBL2152702,CHEMBL2152704,CHEMBL2205766,CHEMBL221959,CHEMBL223360,CHEMBL230011,CHEMBL230686,CHEMBL2309006,CHEMBL2309609,CHEMBL2322989,CHEMBL2333163,CHEMBL2333593,CHEMBL2333594,CHEMBL2333595,CHEMBL2333597,CHEMBL2333600,CHEMBL2333602,CHEMBL2333603,CHEMBL239180,CHEMBL239182,CHEMBL241516,CHEMBL241517,CHEMBL241681,CHEMBL241682,CHEMBL245636,CHEMBL247696,CHEMBL248100,CHEMBL24828,CHEMBL248304,CHEMBL248306,CHEMBL249697,CHEMBL253292,CHEMBL253741,CHEMBL253957,CHEMBL254157,CHEMBL254588,CHEMBL255863,CHEMBL255874,CHEMBL255875,CHEMBL255947,CHEMBL255949,CHEMBL256101,CHEMBL256348,CHEMBL256724,CHEMBL256725,CHEMBL257553,CHEMBL257576,CHEMBL257771,CHEMBL258016,CHEMBL258435,CHEMBL259084,CHEMBL261849,CHEMBL271179,CHEMBL271967,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL301018,CHEMBL31965,CHEMBL360190,CHEMBL373882,CHEMBL377300,CHEMBL379218,CHEMBL384304,CHEMBL385956,CHEMBL386051,CHEMBL386637,CHEMBL391691,CHEMBL391692,CHEMBL394383,CHEMBL394384,CHEMBL394638,CHEMBL396585,CHEMBL396912,CHEMBL396913,CHEMBL401907,CHEMBL402584,CHEMBL402903,CHEMBL402933,CHEMBL402934,CHEMBL403614,CHEMBL403672,CHEMBL403673,CHEMBL404178,CHEMBL404444,CHEMBL404445,CHEMBL407817,CHEMBL428067,CHEMBL428690,CHEMBL436137,CHEMBL440084,CHEMBL443906,CHEMBL445162,CHEMBL445813,CHEMBL450786,CHEMBL453336,CHEMBL459850,CHEMBL460600,CHEMBL460746,CHEMBL461139,CHEMBL461140,CHEMBL464552,CHEMBL468970,CHEMBL473351,CHEMBL473354,CHEMBL473553,CHEMBL473556,CHEMBL473557,CHEMBL473761,CHEMBL474543,CHEMBL474544,CHEMBL475251,CHEMBL475817,CHEMBL477772,CHEMBL483321,CHEMBL486437,CHEMBL488271,CHEMBL488646,CHEMBL488840,CHEMBL489083,CHEMBL490555,CHEMBL491473,CHEMBL491686,CHEMBL494089,CHEMBL496574,CHEMBL496760,CHEMBL496968,CHEMBL497194,CHEMBL497195,CHEMBL497198,CHEMBL498404,CHEMBL500724,CHEMBL505637,CHEMBL509032,CHEMBL513909,CHEMBL514016,CHEMBL514941,CHEMBL514942,CHEMBL517720,CHEMBL521851,CHEMBL522785,CHEMBL522892,CHEMBL523088,CHEMBL523744,CHEMBL525191,CHEMBL535,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL565612,CHEMBL565871,CHEMBL566515,CHEMBL566516,CHEMBL566741,CHEMBL566959,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574236,CHEMBL574461,CHEMBL574738,CHEMBL575325,CHEMBL575334,CHEMBL575335,CHEMBL575943,CHEMBL575944,CHEMBL575955,CHEMBL575980,CHEMBL576982,CHEMBL577156,CHEMBL577392,CHEMBL577602,CHEMBL578641,CHEMBL583871,CHEMBL586052,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL6246,CHEMBL91829,CHEMBL939,CHEMBL941}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.012 numeric
@attribute C.013 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.019 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.037 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DD numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_DP numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_01_PN numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_DP numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_06_PP numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_07_PP numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_08_PP numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DN numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CATS2D_09_PP numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute Cl.090 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr04 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute D.Dtr11 numeric
@attribute D.Dtr12 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.081 numeric
@attribute F.082 numeric
@attribute F.083 numeric
@attribute F.084 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute H.054 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.50 numeric
@attribute Hypnotic.80 numeric
@attribute I.099 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.066 numeric
@attribute N.067 numeric
@attribute N.068 numeric
@attribute N.069 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute N.076 numeric
@attribute N.079 numeric
@attribute n124.Triazines numeric
@attribute n135.Triazines numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArCHO numeric
@attribute nArCN numeric
@attribute nArC.N numeric
@attribute nArCNO numeric
@attribute nArCO numeric
@attribute nArCONH2 numeric
@attribute nArCONHR numeric
@attribute nArCONR2 numeric
@attribute nArCOOH numeric
@attribute nArCOOR numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNO2 numeric
@attribute nArNR2 numeric
@attribute nArOCON numeric
@attribute nArOH numeric
@attribute nArOR numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nAzetidines numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBR numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nCONN numeric
@attribute nCp numeric
@attribute nCq numeric
@attribute nCrq numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCRX3 numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nCXr numeric
@attribute nDB numeric
@attribute NdCH2 numeric
@attribute NddsN numeric
@attribute NddssS numeric
@attribute NdNH numeric
@attribute NdO numeric
@attribute NdS numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute NdssS numeric
@attribute NdsssP numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nFuranes numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nI numeric
@attribute nImidazoles numeric
@attribute nIsothiazoles numeric
@attribute nIsoxazoles numeric
@attribute nN numeric
@attribute nN. numeric
@attribute nN.C.N. numeric
@attribute nN.CO.2 numeric
@attribute nN.N numeric
@attribute nNq numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHp numeric
@attribute nOHs numeric
@attribute nOHt numeric
@attribute nOxazoles numeric
@attribute nOxolanes numeric
@attribute nP numeric
@attribute nP..O.R3.nPR5 numeric
@attribute nPyrazines numeric
@attribute nPyrazoles numeric
@attribute nPyridazines numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nPyrroles numeric
@attribute nPyrrolidines numeric
@attribute nR03 numeric
@attribute nR04 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR07 numeric
@attribute nR08 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nR11 numeric
@attribute nR12 numeric
@attribute nR.C. numeric
@attribute nR.CH.X numeric
@attribute nRCN numeric
@attribute nRCNO numeric
@attribute nRCO numeric
@attribute nRCONH2 numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRCOOH numeric
@attribute nR.Cp numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute nRNH2 numeric
@attribute nRNHO numeric
@attribute nRNHR numeric
@attribute nRNR2 numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute nRSR numeric
@attribute nS numeric
@attribute NsBr numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute NsI numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nSO numeric
@attribute nS..O.2 numeric
@attribute nSO2N numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NssS numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute NssssN. numeric
@attribute NssssSi numeric
@attribute nTB numeric
@attribute NtCH numeric
@attribute nThiazoles numeric
@attribute nThiophenes numeric
@attribute NtN numeric
@attribute nTriazoles numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute O.061 numeric
@attribute O.062 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute P.116 numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psi_i_t numeric
@attribute Psychotic.50 numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_e_6 numeric
@attribute P_VSA_i_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_m_5 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_4 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_p_4 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute P_VSA_v_4 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.107 numeric
@attribute S.108 numeric
@attribute S.109 numeric
@attribute S.110 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute SaaO numeric
@attribute SaaS numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdCH2 numeric
@attribute SddsN numeric
@attribute SddssS numeric
@attribute SdNH numeric
@attribute SdO numeric
@attribute SdS numeric
@attribute SdsCH numeric
@attribute SdsN numeric
@attribute SdssC numeric
@attribute SdssS numeric
@attribute SdsssP numeric
@attribute Se numeric
@attribute Si numeric
@attribute Si.111 numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW03 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsBr numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsF numeric
@attribute SsI numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SssS numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute SssssN. numeric
@attribute SssssSi numeric
@attribute StCH numeric
@attribute StN numeric
@attribute StsC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.682,2 10.037,3 3.884,4 15.085,5 105.742,6 8.778,7 0.767,8 3.876,9 3.969,10 3.685,11 3.557,12 5.067,13 3.514,14 4.342,15 4.468,16 3.966,17 3.915,18 5.557,19 3.863,20 4.56,21 4.722,22 3.994,23 3.994,24 5.781,25 3.931,26 4.58,27 4.762,28 3.908,29 3.95,30 5.751,31 3.886,32 4.601,33 4.819,34 3.857,35 3.946,36 5.646,37 3.871,38 4.499,39 4.692,40 3.898,41 3.935,42 5.602,43 3.856,44 4.493,45 4.659,46 3.897,47 3.953,48 5.719,49 3.858,50 4.594,51 4.821,52 3.718,53 3.862,54 5.71,55 3.742,56 0.057,57 0.666,58 7.483,59 3.94,60 8.578,61 4.237,62 0.115,63 1.074,64 14.667,65 6.738,66 15.682,67 7.342,68 0.247,69 1.318,70 18.974,71 8.268,72 43.026,73 8.97,74 0.275,75 1.334,76 19.434,77 7.928,78 40.885,79 8.824,80 0.302,81 1.29,82 19.997,83 7.981,84 39.294,85 9.967,86 0.252,87 1.223,88 17.439,89 7.486,90 31.067,91 9.636,92 0.242,93 1.216,94 16.215,95 7.987,96 27.859,97 9.813,98 0.261,99 1.31,100 21.198,101 8.944,102 39.575,103 10.966,104 11,105 42,106 0.287,107 0.569,108 0.703,109 0.795,110 0.81,111 0.81,112 3.341,113 0.988,114 -4.92,115 -4.83,116 -4.53,118 48.8,123 1,138 10,139 3,140 2,141 2,142 1,148 1,156 1,167 10,171 4,173 1,175 2,178 9,182 8,186 5,188 5,192 8,197 4,199 6,204 1,206 1,208 2,211 14,214 1,215 1,223 18,227 1,228 3,231 1,235 12,240 4,247 4,252 4,264 1123,265 18.361,266 18.361,267 18.361,268 18.361,269 18.361,270 15.561,271 4.368,272 10.837,273 18.876,274 14.814,275 14.814,276 14.814,277 14.814,278 14.814,279 10.659,280 2.498,281 5.164,282 15.642,283 3.744,284 2.087,285 1.302,286 0.762,287 0.669,288 0.669,289 4.038,292 1,293 1,294 1,295 587,296 2.646,299 74.848,300 265.59,307 1.451,308 27.251,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 58,320 271,321 4.568,322 4.698,323 6.747,324 4.172,325 3.204,326 4.301,327 2.95,328 11.08,329 3.103,330 4.196,331 3.207,332 6.1,333 3.769,334 2.819,335 3.802,337 8.88,338 2.706,339 3.986,340 2.897,341 5.879,342 3.558,343 2.592,344 3.578,346 8.043,347 2.526,348 3.913,349 2.729,350 5.772,351 3.479,352 2.553,353 3.377,355 7.837,356 2.294,357 3.621,358 2.51,359 5.054,360 3.176,361 2.229,362 3.038,364 6.071,365 2.091,366 3.253,367 2.432,368 4.69,369 2.752,370 1.805,371 2.55,373 4.948,374 1.696,375 2.997,376 1.854,377 4.272,378 2.455,379 1.527,380 2.177,382 3.75,383 1.403,384 2.727,385 1.488,386 3.913,387 2.169,388 1.23,389 1.772,391 3.032,392 1.139,393 2.5,394 1.172,395 3.711,396 2,397 1,398 1.5,400 2.575,401 1,402 2.5,403 1,404 3.456,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.414,414 1.984,415 1,416 1.5,417 2.275,418 0.983,419 2.44,420 1,421 3.414,422 1.892,423 0.945,424 1.382,425 2.192,426 0.886,427 2.277,428 0.826,429 3.247,430 1.716,431 0.792,432 1.169,433 2.136,434 0.73,435 1.137,436 0.62,437 2.605,438 0.725,439 -0.188,440 -0.236,441 -0.422,442 -0.166,443 0.965,444 0.301,445 2.512,446 0.504,447 -0.453,448 -0.594,449 -1.096,450 -0.422,451 13.152,452 0.487,453 0.644,454 0.024,455 40.5,456 1.5,457 23.5,458 0.87,459 17,460 0.63,461 17.941,462 0.664,463 27.048,464 0.629,465 29.792,466 1.103,467 8.054,468 0.298,469 5.06,470 0.187,471 0.085,473 0.367,477 1,478 0.545,479 0.959,480 0.724,481 0.931,482 0.569,483 0.805,484 0.683,485 1.023,486 1.025,487 1.087,488 0.581,489 0.931,490 1.117,491 1.081,492 1.027,493 1.01,494 1.067,495 1.008,496 1.059,497 1.04,498 1.039,499 0.992,500 0.909,501 1.052,502 0.717,503 0.694,504 0.72,505 0.677,506 0.564,507 0.839,508 0.446,509 0.776,510 0.686,511 0.856,512 0.416,513 0.929,514 0.461,515 0.996,516 0.879,517 1.094,518 0.567,519 1.166,520 0.905,521 0.972,522 0.883,523 0.948,524 0.88,525 1.093,526 5,527 0.136,528 3.333,529 1.41,530 1.466,531 1.202,532 0.457,533 0.28,534 0.357,535 0.275,536 8549,537 27336,538 2.12,539 37.2,541 13,543 2,544 1,549 1.706,550 2,551 3.291,552 -0.346,554 1,558 72.336,559 1.682,560 3.339,561 4.125,562 4.665,563 4.758,564 4.758,565 2.75,566 4.236,567 4.72,568 3.463,569 1215.67,570 8.228,571 15393.9,573 1,575 1,576 233.329,577 1.352,578 4.694,579 0.167,580 0.008,581 0.079,582 0.034,583 0.038,584 0.032,585 0.012,586 0.008,587 0.012,588 0.013,589 0.402,590 0.17,591 1,592 0.704,593 132.502,594 0.018,595 -0.04,596 0.116,597 0.009,598 -0.084,599 0.039,600 -0.009,601 -0.086,602 -0.1,603 -0.115,604 0.026,605 -0.044,606 -0.151,607 -0.103,608 -0.141,609 -0.081,610 -0.09,611 -0.096,612 -0.175,613 -0.093,614 -0.202,615 -0.121,616 -0.112,617 -0.148,618 -0.066,619 0.122,620 0.04,621 0.143,622 -0.04,623 0.12,624 0.137,625 0.077,626 0.099,627 0.015,628 0.074,629 0.039,630 0.218,631 -0.104,632 -0.058,633 -0.179,634 0.091,635 -0.209,636 -0.055,637 -0.064,638 -0.005,639 -0.034,640 -0.053,641 -0.071,642 2.25,643 5.338,644 0.852,645 25.295,646 1.009,647 1.113,648 3.69,649 13.619,650 0.73,651 3.434,652 3.761,653 4.043,654 4.304,655 4.575,656 4.718,657 4.875,658 4.99,659 5.165,660 5.231,661 6.08,662 0.699,663 377.47,664 3.434,665 4.977,666 5.832,667 6.711,668 7.588,669 8.477,670 9.365,671 10.26,672 11.154,673 12.053,674 7,682 1,684 2,690 12,691 2,692 1,695 8,697 23,715 1,716 43,718 24,719 2,720 30,722 46,723 21,724 20,725 4,726 8,728 4,729 4,740 20,741 1,744 1,749 1,754 1,757 1,758 1,760 16,761 4,762 1,763 6,764 1,766 1,769 3,775 1,776 1,787 1,793 1,794 3,819 4,821 1,823 1,825 1,827 27,829 1,849 1,850 2.3,853 1,858 13.5,859 8.126,860 5.889,861 2.38,863 3.419,864 1.461,865 1.04,866 4.763,867 10.831,868 3.773,869 4.404,870 5.025,871 5.633,872 6.205,873 6.579,874 7.074,875 7.513,876 8.009,877 8.403,878 0.857,879 42,880 9.975,881 4.309,882 7.872,883 18.812,884 15.524,885 2.372,886 64.056,889 1,890 176.567,891 167.25,892 50.357,894 22.156,895 14.96,896 19.133,897 148.118,898 198.723,899 65.317,900 7.19,902 113.895,903 81.598,904 57.866,905 17.717,906 153.024,908 176.567,909 198.474,910 37.117,911 19.133,913 191.527,914 22.156,917 39.965,918 124.938,919 33.571,920 19.133,921 191.527,922 72.513,923 167.25,926 195.699,927 28.07,928 120.048,929 16.786,930 70.688,931 176.567,932 87.473,933 167.25,935 0.583,936 0.337,937 0.176,938 0.102,939 21,940 9,941 0.087,942 4,944 1,945 3.869,946 237.009,948 23,949 116.382,952 1,954 17.477,955 7.358,956 3.635,958 70.688,959 20.936,960 8.82,961 3.368,964 5.372,966 16.786,967 431.29,968 42.5,973 11.6,978 -1.028,980 43.407,981 47.87,983 0.31,984 0.615,985 0.76,986 0.86,987 0.877,988 0.877,989 4.989,990 1.23,991 5.814,992 3.75,993 4.443,994 5.091,995 2.913,996 6.624,997 4.347,998 6.21,999 1,1000 7.372,1001 3.032,1002 4.007,1003 4.796,1005 7.529,1006 3.829,1007 7.516,1008 1,1009 9.031,1010 2.575,1011 6.033,1012 7.299,1013 5.027,1014 10.63,1015 5.859,1016 8.859,1017 1,1018 10.75,1019 2.275,1020 6.431,1021 7.837,1023 12.386,1024 6.185,1025 10.233,1026 0.945,1027 12.509,1028 2.275,1029 7.917,1030 9.773,1031 7.185,1032 15.002,1033 7.672,1034 11.63,1035 0.792,1036 14.294,1037 2.192,1038 8.694,1039 10.716,1041 17.109,1042 8.392,1043 13.044,1044 -0.188,1045 16.099,1046 2.136,1047 9.961,1048 12.395,1049 9.348,1050 19.567,1051 9.652,1052 3.204,1053 -0.453,1054 17.918,1055 -0.422,1056 10.922,1057 13.557,1059 21.832,1060 10.569,1061 2.819,1062 11.08,1063 19.749,1064 -1.096,1065 12.102,1066 15.108,1067 11.511,1068 24.24,1069 11.733,1070 2.592,1071 8.88,1072 21.589,1073 4.301,1074 13.154,1075 16.393,1077 26.576,1078 12.749,1079 2.553,1080 8.043,1081 23.437,1082 3.802,1083 14.303,1084 17.883,1085 13.675,1086 28.972,1087 13.876,1088 2.229,1089 7.837,1090 25.291,1091 3.578,1092 15.401,1093 19.238,1095 31.342,1096 14.942,1097 1.805,1098 6.071,1099 27.151,1100 3.377,1101 16.542,1102 20.7,1103 15.838,1104 33.738,1105 16.059,1106 1.527,1107 4.948,1108 29.017,1109 3.038,1110 17.665,1111 22.095,1113 36.124,1114 17.151,1115 8183,1116 14750,1117 20.285,1118 31.387,1119 46.121,1120 48.057,1121 46.538,1122 45.542,1123 45.393,1124 63.291,1125 5.9,1126 130.187,1127 43.112,1128 5.267,1129 6.698,1130 6.549,1131 5.207,1132 5.204,1133 7.301,1134 5.9,1135 18.235,1136 5.103,1137 12.043,1138 1.537,1139 1.602,1140 1.551,1141 1.518,1142 1.513,1143 2.11,1144 0.197,1145 4.34,1146 1.437,1147 4.093,1148 4.128,1149 4.34,1150 4.01,1151 8.201,1152 4.007,1153 3.902,1154 3.916,1155 4.036,1156 3.882,1157 7.398,1158 3.847,1159 3.833,1160 3.867,1161 3.785,1162 3.747,1163 5.032,1164 3.748,1165 3.636,1166 3.679,1167 3.708,1168 3.526,1169 4.839,1170 3.494,1171 3.381,1172 3.405,1173 3.463,1174 3.301,1175 4.641,1176 3.239,1177 2.895,1178 2.942,1179 2.853,1180 2.748,1181 4.503,1182 2.755,1183 2.854,1184 2.925,1185 2.687,1186 2.735,1187 3.792,1188 2.715,1189 2.854,1190 2.925,1191 2.687,1192 2.735,1193 3.716,1194 2.715,1195 0.152,1196 0.157,1197 0.225,1198 0.139,1199 0.107,1200 4.568,1201 0.143,1202 4.698,1203 0.098,1204 6.747,1205 0.369,1206 4.172,1207 0.103,1208 3.204,1209 4.301,1210 2.95,1211 11.08,1212 3.103,1213 1.93,1214 1.915,1215 2.012,1216 2.02,1217 1.154,1218 2.022,1219 1.925,1220 1.902,1221 1.992,1222 1.994,1223 1.117,1224 2.009,1225 1.814,1226 1.782,1227 1.921,1228 1.923,1229 0.975,1230 1.928,1231 1.429,1232 1.415,1233 1.552,1234 1.597,1235 0.766,1236 1.633,1237 1.267,1238 1.221,1239 1.409,1240 1.469,1241 0.462,1242 1.481,1243 1.149,1244 1.086,1245 1.259,1246 1.358,1247 0.336,1248 1.335,1249 0.886,1250 0.821,1251 1.181,1252 1.062,1253 0.218,1254 1.107,1255 0.886,1256 0.821,1257 1.181,1258 1.062,1259 0.218,1260 1.107,1261 4.111,1263 5.434,1264 2.398,1265 6.952,1266 4.727,1267 8.551,1268 6.862,1269 10.193,1271 1.649,1273 13.338,1289 30.037,1290 72.336,1291 143.581,1292 177.355,1293 200.574,1294 204.574,1295 204.574,1296 45.154,1297 7.412,1298 58.64,1299 77.85,1300 23,1301 12.577,1302 4.644,1303 3.755,1304 39.954,1305 97,1306 102,1307 0.203,1308 187.143,1309 316.15,1310 448.389,1311 14504,1312 2.3,1313 18.803,1314 0.696,1315 0.568,1316 18.221,1317 15.334,1318 13.114,1319 0.437,1320 0.329,1321 8.367,1322 12.075,1323 8.007,1324 6.652,1325 13.464,1326 9.876,1327 11.896,1328 0.283,1329 0.176,1330 12.132,1331 7.41,1332 10.047,1333 0.179,1334 0.093,1335 10.274,1336 5.186,1337 8.173,1338 0.112,1339 0.046,1340 8.451,1341 3.378,1342 6.78,1343 0.071,1344 0.024,1345 6.866,1346 2.284,1347 0.312,1348 88.885,1349 0.222,1350 25.663,1351 0.579,1352 144,1353 466.33,1354 180.557,1355 455.817,1356 618.46,1357 424,1358 170,1359 436.236,1360 204.305,1361 462.651,1362 666.94,1363 434,1364 5}
{0 CHEMBL101253,1 1.496,2 10.4,3 4.705,4 22.138,5 100.976,6 8.671,7 0.821,8 3.803,9 3.913,10 3.514,11 3.464,12 4.975,13 3.437,14 4.262,15 4.398,16 3.86,17 3.837,18 5.382,19 3.788,20 4.511,21 4.697,22 3.901,23 3.938,24 5.564,25 3.861,26 4.515,27 4.732,28 3.756,29 3.84,30 5.52,31 3.754,32 4.451,33 4.676,34 3.759,35 3.782,36 5.493,37 3.723,38 4.382,39 4.579,40 3.717,41 3.806,42 5.456,43 3.734,44 4.37,45 4.573,46 3.668,47 3.781,48 5.403,49 3.675,50 4.285,51 4.512,52 3.486,53 3.609,54 5.255,55 3.465,56 0.036,57 0.569,58 5.871,59 3.065,60 6.797,61 3.852,62 0.051,63 0.892,64 10.545,65 5.141,66 10.565,67 6.527,68 0.15,69 1.134,70 18.583,71 7.031,72 22.023,73 8.915,74 0.152,75 1.147,76 19.99,77 7.228,78 24.391,79 9.299,80 0.206,81 1.11,82 17.499,83 6.324,84 25.7,85 8.142,86 0.186,87 1.026,88 15.521,89 5.816,90 22.825,91 7.282,92 0.139,93 0.952,94 15.408,95 6.574,96 20.483,97 8.757,98 0.115,99 0.837,100 16.149,101 6.477,102 20.375,103 8.711,104 2,105 38,106 0.259,107 0.558,108 0.709,109 0.819,110 0.836,111 0.845,112 3.267,113 0.893,114 -5.43,115 -5.31,116 -4.96,118 50,120 1,138 10,139 3,140 2,141 2,142 1,143 1,161 1,167 11,171 5,173 1,175 3,178 14,182 7,184 1,186 4,188 10,192 10,197 2,199 8,204 8,208 3,211 13,214 1,215 3,220 1,223 13,227 1,228 3,233 2,235 11,240 3,247 8,252 1,255 1,260 8,264 911,265 17.361,266 17.361,267 17.361,268 17.361,269 17.361,270 14.555,271 18.364,272 10.512,273 17.698,274 13.875,275 13.875,276 13.875,277 13.875,278 13.875,279 9.836,280 28.435,281 5.06,282 14.462,283 3.826,284 2.106,285 1.23,286 0.6,287 0.5,288 0.45,289 3.972,290 1,293 1,294 1,295 572,296 2.345,300 266.179,304 101.355,307 1.856,308 13.492,310 1,311 0.75,312 1,313 1,314 0.6,316 1,317 1,318 0.76,319 52.333,320 260,321 4.596,322 3.258,323 6.707,324 4.135,325 3.153,326 4.543,327 0.68,328 10.902,329 3.096,330 4.03,331 2.961,332 5.8,333 3.622,334 2.659,335 3.625,336 0.4,337 8.069,338 2.567,339 3.92,340 2.823,341 5.423,342 3.508,343 2.531,344 3.467,346 7.166,347 2.46,348 3.64,349 2.533,350 5.255,351 3.188,352 2.251,353 3.075,355 6.536,356 2.109,357 3.404,358 2.184,359 4.905,360 2.943,361 2.007,362 2.76,364 5.669,365 1.851,366 3.274,367 1.907,368 4.658,369 2.783,370 1.831,371 2.591,373 4.855,374 1.673,375 2.887,376 1.516,377 3.792,378 2.382,379 1.44,380 2.053,382 3.102,383 1.355,384 2.777,385 1.288,386 3.598,387 2.267,388 1.281,389 1.913,391 2.852,392 1.26,393 2.5,394 1.076,395 3.562,396 2,397 1.013,398 1.5,400 2.575,401 1,402 2.5,403 1,404 3.414,405 1.994,406 1,407 1.5,409 2.275,410 0.99,411 2.465,412 1,413 3.247,414 1.984,415 1,416 1.449,417 2.136,418 0.983,419 1.729,420 0.741,421 3.101,422 1.405,423 0.449,424 0.552,425 1.119,426 0.42,427 1.313,428 0.426,429 2.764,430 0.935,431 0.02,432 0.025,433 0.048,434 0.016,435 1.014,436 -0.044,437 2.445,438 0.595,439 -0.34,440 -0.435,441 -0.814,442 -0.291,443 0.889,444 -0.429,445 2.304,446 0.391,447 -0.583,448 -0.833,449 -1.455,450 -0.561,451 12.314,452 0.493,453 0.465,454 0.019,455 38.25,456 1.53,457 22.5,458 0.9,459 15.75,460 0.63,461 15.877,462 0.635,463 24.286,464 0.607,465 25.535,466 1.021,467 7.668,468 0.307,469 4.625,470 0.185,471 0.058,473 0.284,478 0.647,479 1,480 0.571,481 0.8,482 0.649,483 0.771,484 0.742,485 1.154,486 0.711,487 0.975,488 0.732,489 0.954,490 1.087,491 1.111,492 1.012,493 1.045,494 1.037,495 1.035,496 1.127,497 1.198,498 0.96,499 1.059,500 1.031,501 1.042,502 1.034,503 1.003,504 0.653,505 0.784,506 0.874,507 0.81,508 1.183,509 0.863,510 0.903,511 0.846,512 1.108,513 0.925,514 0.58,515 0.996,516 0.789,517 1.07,518 0.729,519 1.098,520 0.655,521 1.086,522 0.906,523 1.158,524 0.779,525 1.175,526 4,527 0.029,528 2.222,529 1.188,530 1.24,531 0.542,532 0.405,533 0.302,534 0.2,535 0.117,536 7458,537 21561,538 2.179,539 37.5,541 10,543 2,544 1,545 2,549 1.681,550 2.113,551 3.346,552 -0.356,558 59.835,559 1.496,560 3.216,561 4.091,562 4.722,563 4.822,564 4.872,565 2.953,566 4.324,567 4.61,568 3.486,569 1045.76,570 7.983,571 12517.9,573 1,576 212.877,577 1.078,578 4.606,579 0.143,580 0.002,581 0.058,582 0.031,583 0.038,584 0.016,585 0.012,586 0.01,587 0.01,588 0.008,589 0.329,590 0.33,591 1,592 0.372,593 120.213,594 0.065,595 0.037,596 0.023,597 0.023,598 0.004,599 0.028,600 0.025,601 -0.141,602 -0.022,603 -0.113,604 -0.008,605 -0.107,606 -0.096,607 -0.099,608 -0.117,609 -0.119,610 -0.114,611 -0.118,612 -0.129,613 -0.181,614 -0.088,615 -0.115,616 -0.092,617 -0.086,618 -0.048,619 0.071,620 0.077,621 0.126,622 0.049,623 0.126,624 -0.21,625 0.2,626 -0.136,627 0.051,628 -0.184,629 -0.025,630 0.141,631 -0.049,632 0.001,633 -0.109,634 0.062,635 -0.117,636 0.138,637 -0.184,638 0.054,639 -0.132,640 0.083,641 -0.126,642 0.964,643 1.836,644 0.88,645 23.142,646 1.001,647 1.111,648 4.196,649 17.604,650 0.736,651 3.367,652 3.664,653 3.932,654 4.205,655 4.489,656 4.489,657 4.654,658 4.812,659 4.927,660 4.934,661 6.034,662 0.702,663 346.84,664 3.367,665 4.89,666 5.733,667 6.6,668 7.462,669 8.336,670 9.208,671 10.087,672 10.964,673 11.846,674 10,682 1,684 3,689 2,690 12,691 3,695 5,697 23,709 1,715 1,716 40,718 23,719 2,720 28,722 43,723 20,724 19,725 4,726 8,728 4,729 5,730 1,738 1,740 19,741 1,760 15,761 4,762 1,763 5,764 1,769 4,775 0.75,786 1,787 1,794 4,798 1,819 3,824 1,827 25,833 1,834 1,849 1,858 11.833,859 7.243,860 5.5,861 2.316,863 3.948,864 1.535,865 1.037,866 4.384,867 11.331,868 3.701,869 4.337,870 4.951,871 5.564,872 6.178,873 6.381,874 6.84,875 7.327,876 7.786,877 8.027,878 1,879 38,880 9.15,881 3.847,882 7.611,883 17.582,884 14.353,885 2.111,886 52.778,889 1,890 164.795,891 135.065,892 68.122,893 39.149,897 135.065,898 203.944,899 68.122,901 2.535,902 94.762,903 73.654,904 53.451,905 2.328,906 141.253,907 39.149,908 164.795,909 203.188,911 39.149,913 164.795,917 41.397,918 111.679,919 89.26,921 164.795,922 68.122,923 174.214,926 164.795,927 22.208,928 112.857,929 18.011,930 89.26,931 164.795,932 68.122,933 174.214,935 0.572,936 0.329,937 0.183,938 0.108,939 19,940 7,941 0.093,942 4,943 1,944 1.091,945 3.806,946 209.623,947 0.091,948 22,949 108.096,954 15.707,955 6.978,956 3.506,957 2.127,958 68.122,959 23.267,960 12.929,964 4.465,966 18.011,967 407.132,968 39.5,980 40.033,981 44.428,983 0.281,984 0.604,985 0.769,986 0.887,987 0.906,988 0.915,989 4.896,990 1.281,991 5.687,992 3.102,993 4.344,994 5.024,995 0.809,996 6.46,997 4.269,998 6.102,999 1.013,1000 7.212,1001 2.852,1002 3.761,1003 4.691,1005 7.273,1006 3.613,1007 7.397,1008 1,1009 8.838,1010 2.575,1011 5.889,1012 7.267,1013 0.391,1014 10.395,1015 5.76,1016 8.73,1017 1,1018 10.528,1019 2.275,1020 6.155,1021 7.805,1023 12.104,1024 5.979,1025 10.095,1026 0.449,1027 12.262,1028 2.136,1029 7.713,1030 9.802,1031 0.187,1032 14.736,1033 7.545,1034 11.486,1035 0.02,1036 14.028,1037 1.119,1038 8.404,1039 10.798,1041 16.832,1042 8.209,1043 12.897,1044 -0.34,1045 15.817,1046 0.048,1047 9.711,1048 12.527,1049 0.089,1050 19.301,1051 9.512,1052 3.153,1053 -0.583,1054 17.626,1055 -0.814,1056 10.624,1057 13.773,1059 21.565,1060 10.407,1061 2.659,1062 10.902,1063 19.45,1064 -1.455,1065 11.821,1066 15.376,1067 0.042,1068 23.98,1069 11.595,1070 2.531,1071 8.069,1072 21.287,1073 4.543,1074 12.848,1075 16.755,1077 26.315,1078 12.606,1079 2.251,1080 7.166,1081 23.134,1082 3.625,1083 14.002,1084 18.301,1085 0.019,1086 28.712,1087 13.748,1088 2.007,1089 6.536,1090 24.99,1091 3.467,1092 15.085,1093 19.747,1095 31.076,1096 14.816,1097 1.831,1098 5.669,1099 26.854,1100 3.075,1101 16.224,1102 21.27,1103 0.009,1104 33.468,1105 15.942,1106 1.44,1107 4.855,1108 28.724,1109 2.76,1110 17.336,1111 22.75,1113 35.845,1114 17.039,1115 7000,1116 12027,1117 19.474,1118 29.449,1119 41.584,1120 41.973,1121 41.88,1122 41.449,1123 41.266,1124 58.109,1125 2.16,1126 114.607,1127 39.561,1128 5.378,1129 5.258,1130 6.509,1131 5.178,1132 5.153,1133 7.543,1134 1.36,1135 18.155,1136 5.096,1137 6.696,1138 1.485,1139 1.499,1140 1.496,1141 1.48,1142 1.474,1143 2.075,1144 0.077,1145 4.093,1146 1.413,1147 4.095,1148 4.126,1149 4.071,1150 4.02,1151 5.089,1152 4.025,1153 3.883,1154 3.913,1155 3.966,1156 3.826,1157 4.932,1158 3.818,1159 3.846,1160 3.882,1161 3.787,1162 3.757,1163 4.886,1164 3.758,1165 3.406,1166 3.47,1167 3.412,1168 3.24,1169 4.544,1170 3.253,1171 3.224,1172 3.285,1173 3.292,1174 3.077,1175 4.375,1176 3.085,1177 2.89,1178 2.946,1179 3.047,1180 2.785,1181 3.996,1182 2.771,1183 2.854,1184 2.925,1185 2.709,1186 2.735,1187 3.775,1188 2.715,1189 2.854,1190 2.925,1191 2.687,1192 2.735,1193 3.674,1194 2.715,1195 0.164,1196 0.116,1197 0.24,1198 0.148,1199 0.113,1200 4.596,1201 0.162,1202 3.258,1203 0.024,1204 6.707,1205 0.389,1206 4.135,1207 0.111,1208 3.153,1209 4.543,1210 0.68,1211 10.902,1212 3.096,1213 2.047,1214 2.023,1215 2.119,1216 2.141,1217 1.278,1218 2.135,1219 1.872,1220 1.847,1221 1.969,1222 1.966,1223 1.07,1224 1.974,1225 1.827,1226 1.793,1227 1.943,1228 1.929,1229 1.033,1230 1.939,1231 1.354,1232 1.298,1233 1.52,1234 1.553,1235 0.604,1236 1.544,1237 1.18,1238 1.127,1239 1.344,1240 1.376,1241 0.418,1242 1.378,1243 0.886,1244 0.821,1245 1.181,1246 1.062,1247 0.218,1248 1.107,1249 0.886,1250 0.821,1251 1.181,1252 1.062,1253 0.218,1254 1.107,1255 0.845,1256 0.803,1257 1.122,1258 1.044,1259 0.202,1260 1.066,1261 4.043,1263 5.342,1265 6.851,1267 8.455,1269 10.108,1272 5.947,1277 0.72,1278 3.323,1289 28.074,1290 59.835,1291 128.638,1292 163.658,1293 188.877,1294 192.877,1295 194.877,1296 28.938,1297 7.383,1298 50.7,1299 50.7,1300 24,1301 12.382,1302 4.585,1303 3.644,1304 35.852,1305 89,1306 97,1307 0.197,1308 176.352,1309 291.69,1310 422.06,1311 15672,1312 2.5,1313 17.062,1314 0.682,1315 0.564,1316 17.562,1317 14.111,1318 12.293,1319 0.439,1320 0.298,1321 7.92,1322 11.714,1323 7.714,1324 6.399,1325 12.582,1326 8.33,1327 10.811,1328 0.285,1329 0.162,1330 11.219,1331 6.141,1332 9.126,1333 0.183,1334 0.085,1335 9.415,1336 4.244,1337 7.644,1338 0.116,1339 0.044,1340 7.811,1341 2.872,1342 6.731,1343 0.076,1344 0.023,1345 6.967,1346 2.061,1347 0.306,1348 78.749,1349 0.227,1350 24.261,1351 0.551,1352 132,1353 355.472,1354 154.458,1355 388.218,1356 533.19,1357 364,1358 154,1359 381.691,1360 171.363,1361 400.645,1362 578.74,1363 378,1364 5}
{0 CHEMBL103667,1 1.476,2 15.333,3 5.907,4 34.897,5 153.448,6 6.944,7 0.512,8 4.416,9 4.543,10 3.928,11 3.926,12 5.446,13 3.899,14 4.975,15 5.161,16 4.296,17 4.324,18 5.966,19 4.279,20 5.224,21 5.428,22 4.344,23 4.489,24 6.191,25 4.408,26 5.354,27 5.615,28 4.314,29 4.494,30 6.25,31 4.385,32 5.289,33 5.537,34 4.298,35 4.402,36 6.266,37 4.322,38 5.161,39 5.377,40 4.272,41 4.38,42 6.186,43 4.313,44 5.213,45 5.426,46 4.329,47 4.471,48 6.285,49 4.385,50 5.328,51 5.566,52 4.237,53 4.518,54 6.285,55 4.402,56 0.071,57 1.114,58 17.099,59 7.024,60 11.85,61 9.626,62 0.407,63 1.786,64 32.2,65 11.499,66 38.337,67 16.193,68 0.522,69 2.215,70 41.95,71 14.363,72 49.844,73 20.619,74 0.467,75 2.375,76 49.157,77 16.419,78 58.81,79 24.524,80 0.653,81 2.184,82 46.823,83 14.355,84 69.806,85 21.162,86 0.568,87 2.014,88 40.251,89 12.847,90 62.036,91 18.535,92 0.461,93 2.159,94 41.436,95 14.686,96 73.226,97 21.166,98 0.588,99 2.318,100 47.773,101 16.237,102 80.539,103 23.357,104 27,105 61,106 0.226,107 0.537,108 0.702,109 0.788,110 0.812,111 0.816,112 3.693,113 0.941,114 -5.07,115 -4.97,116 -4.65,118 40.8,119 4,122 1,124 6,138 11,139 3,140 3,142 1,149 1,154 1,161 1,167 15,171 7,173 3,174 1,175 3,178 18,181 2,182 11,184 1,186 3,188 14,191 1,192 11,195 1,197 8,199 6,203 1,204 8,206 2,208 9,211 6,214 1,215 11,220 6,223 11,227 1,228 13,231 1,233 7,235 11,240 9,243 1,245 1,247 12,251 1,252 8,257 1,260 23,264 3163,265 26.126,266 26.126,267 26.126,268 26.126,269 26.126,270 23.423,271 36.989,272 15.44,273 26.724,274 21.281,275 21.281,276 21.281,277 21.281,278 21.281,279 17.125,280 47.755,281 7.396,282 22.217,283 4.772,284 2.742,285 1.666,286 1.109,287 0.948,288 0.922,289 4.396,294 1,295 1298,296 4.359,299 114.727,300 481.223,304 186.324,307 2.479,308 29.015,311 0.75,312 0.83,313 0.83,314 0.9,315 0.5,316 0.83,317 1,318 0.81,319 83.5,320 598,321 4.594,322 3.613,323 7.139,324 4.35,325 3.366,326 4.54,327 1.656,328 11.836,329 3.316,330 4.578,331 3.536,332 6.702,333 4.127,334 3.145,335 4.211,336 0.86,337 10.879,338 3.09,339 4.199,340 3.227,341 6.493,342 3.921,343 2.963,344 3.597,345 0.86,346 10.131,347 2.833,348 3.865,349 3.067,350 5.74,351 3.496,352 2.54,353 3.226,354 0.8,355 7.766,356 2.449,357 3.751,358 2.893,359 5.388,360 3.436,361 2.505,362 3.142,363 0.247,364 6.968,365 2.325,366 3.541,367 2.607,368 5.339,369 3.358,370 2.387,371 2.819,373 6.89,374 2.29,375 3.493,376 2.558,377 5.051,378 3.117,379 2.149,380 2.652,382 6.04,383 2.068,384 3.333,385 2.177,386 4.897,387 2.913,388 1.937,389 2.516,391 5.529,392 1.887,393 3.228,394 2.106,395 4.668,396 2.794,397 1.8,398 2.453,400 4.897,401 1.783,402 2.784,403 2.025,404 4.433,405 2.444,406 1.557,407 1.922,409 3.995,410 1.373,411 2.669,412 1.571,413 3.952,414 2.293,415 1.327,416 1.71,417 3.269,418 1.286,419 2.6,420 1.484,421 3.81,422 2.267,423 1.289,424 1.609,425 2.868,426 1.251,427 2.5,428 1.287,429 3.647,430 2.093,431 1.173,432 1.5,433 2.824,434 1.07,435 2.471,436 1.256,437 3.596,438 2,439 1,440 1.461,441 2.727,442 1,443 2.387,444 1.078,445 3.414,446 1.952,447 1,448 1.337,449 2.275,450 0.946,451 18.5,452 0.474,453 1.069,454 0.027,455 48.25,456 1.237,457 23,458 0.59,459 25.25,460 0.647,461 39.35,462 1.009,463 42.7,464 0.562,465 40.967,466 1.05,467 9.39,468 0.241,469 9.385,470 0.241,471 0.126,472 0.027,473 0.286,478 0.823,479 1.355,480 0.848,481 1.168,482 0.701,483 1.032,484 1.066,485 1.074,486 0.877,487 0.93,488 0.65,489 0.888,490 1.194,491 1.173,492 1.133,493 1.094,494 0.997,495 1.101,496 0.848,497 1.07,498 0.894,499 0.991,500 0.789,501 0.946,502 1.337,503 0.979,504 0.964,505 0.871,506 1.263,507 0.863,508 1.433,509 1.037,510 1.075,511 0.924,512 1.478,513 0.939,514 0.944,515 1.197,516 1.016,517 1.117,518 1.482,519 1.078,520 1.284,521 0.945,522 1.167,523 0.976,524 2.046,525 1.041,526 8.5,527 0.325,528 4.444,529 2.438,530 2.225,531 1.507,532 1.122,533 0.646,534 0.637,535 0.365,536 26024,537 58050,538 2.088,539 48.7,540 12,541 23,544 2,549 1.794,550 1.958,551 3.818,552 0.111,558 112.148,559 1.476,560 3.506,561 4.582,562 5.139,563 5.3,564 5.326,565 3.329,566 4.785,567 5.253,568 4.051,569 3002.02,570 9.269,571 52076,576 474.842,577 1.496,578 5.213,579 0.198,580 0.007,581 0.073,582 0.04,583 0.038,584 0.026,585 0.02,586 0.011,587 0.012,588 0.007,589 0.431,590 0.17,591 0.75,592 0.651,593 220.011,594 0.029,595 -0.126,596 0.071,597 -0.067,598 -0.056,599 -0.005,600 0.06,601 0.049,602 0.102,603 0.09,604 0.119,605 0.094,606 -0.074,607 -0.076,608 -0.149,609 -0.098,610 -0.071,611 -0.131,612 0.045,613 -0.067,614 0.091,615 -0.024,616 0.071,617 0.032,618 -0.034,619 0.03,620 0.066,621 0.065,622 0.065,623 0.078,624 -0.118,625 0.032,626 -0.06,627 0.044,628 -0.046,629 0.01,630 0.049,631 -0.131,632 -0.043,633 -0.107,634 0.091,635 -0.089,636 -0.195,637 0.079,638 -0.175,639 0.005,640 -0.305,641 -0.068,642 2.005,643 6.244,644 0.692,645 51.546,646 0.995,647 1.128,648 3.837,649 14.725,650 0.652,651 3.784,652 4.127,653 4.369,654 4.635,655 4.89,656 4.977,657 5.075,658 5.165,659 5.313,660 5.366,661 8.816,662 0.614,663 527.73,664 3.784,665 5.342,666 6.188,667 7.074,668 7.942,669 8.832,670 9.711,671 10.604,672 11.488,673 12.383,674 6.6,677 1,681 2,682 1,684 1,689 2,690 11,691 1,695 6,696 1,697 22,714 1,716 76,718 23,719 3,720 43,722 80,723 31,724 19,725 6,726 10,728 5,729 6,731 1,732 4,733 1,740 20,741 11,744 1,749 1,753 1,760 37,761 7,762 2,763 8,769 5,775 0.8,776 3,785 1,793 1,794 4,798 1,816 1,818 1,819 4,823 4,827 39,833 6,834 2,835 2,838 1,839 1,850 3.9,853 1,854 1,855 1,858 19.917,859 14.767,860 8.389,861 4.573,863 4.045,864 1.479,865 0.975,866 8.336,867 12.497,868 4.025,869 4.627,870 5.201,871 5.808,872 6.349,873 6.657,874 7.013,875 7.346,876 7.713,877 7.802,878 1,879 61,880 14.458,881 6.092,882 7.583,883 28.075,884 23.074,885 2.083,886 81.25,890 411.989,891 188.083,892 57.585,894 47.145,897 188.083,898 459.133,899 57.585,900 35.301,901 56.116,902 104.239,903 52.808,904 40.074,905 4.276,906 411.989,908 411.989,909 245.668,910 47.145,913 411.989,914 36.145,915 11,917 101.402,918 127.603,919 16.663,921 411.989,922 104.73,923 188.083,926 411.989,927 48.543,928 144.44,929 36.022,930 63.808,931 411.989,932 104.73,933 188.083,935 0.586,936 0.329,937 0.176,938 0.103,939 29,940 13,941 0.1,942 8,943 1,944 1.074,945 4.894,946 385.073,947 0.074,948 27,949 193.376,954 27.35,955 11.887,956 6.683,957 1.871,958 102.954,959 21.784,960 4.812,964 5.055,965 1.781,966 36.022,967 704.801,968 55,973 13.244,977 -0.338,980 75.629,981 85.763,983 0.236,984 0.561,985 0.733,986 0.822,987 0.848,988 0.853,989 5.281,990 1.937,991 6.196,992 6.04,993 4.812,994 5.316,995 2.274,996 7.029,997 4.737,998 6.494,999 1.8,1000 7.772,1001 5.529,1002 4.511,1003 5.182,1004 1.305,1005 8.116,1006 4.43,1007 7.813,1008 1.557,1009 9.458,1010 4.897,1011 6.46,1012 7.526,1013 2.627,1014 11.162,1015 6.326,1016 9.168,1017 1.327,1018 11.212,1019 3.995,1020 6.976,1021 8.228,1022 2.354,1023 13.082,1024 6.845,1025 10.558,1026 1.289,1027 13.012,1028 3.269,1029 8.428,1030 10.072,1031 3.315,1032 15.702,1033 8.256,1034 11.972,1035 1.173,1036 14.844,1037 2.868,1038 9.309,1039 11.176,1040 3.414,1041 17.936,1042 9.137,1043 13.406,1044 1,1045 16.699,1046 2.824,1047 10.577,1048 12.813,1049 4.177,1050 20.428,1051 10.378,1052 3.366,1053 1,1054 18.572,1055 2.727,1056 11.623,1057 14.116,1058 4.466,1059 22.783,1060 11.419,1061 3.145,1062 11.836,1063 20.459,1064 2.275,1065 12.826,1066 15.665,1067 5.117,1068 25.235,1069 12.603,1070 2.963,1071 10.879,1072 22.356,1073 4.54,1074 13.946,1075 17.066,1076 5.504,1077 27.64,1078 13.716,1079 2.54,1080 10.131,1081 24.263,1082 4.211,1083 15.13,1084 18.579,1085 6.093,1086 30.083,1087 14.884,1088 2.505,1089 7.766,1090 26.176,1091 3.597,1092 16.285,1093 20.028,1094 6.531,1095 32.509,1096 16.029,1097 2.387,1098 6.968,1099 28.094,1100 3.226,1101 17.466,1102 21.529,1103 7.084,1104 34.951,1105 17.197,1106 2.149,1107 6.89,1108 30.018,1109 3.142,1110 18.638,1111 23.001,1112 7.551,1113 37.389,1114 18.358,1115 24443,1116 36729,1117 28.72,1118 49.574,1119 65.312,1120 66.112,1121 65.558,1122 64.61,1123 64.651,1124 82.321,1125 8.846,1126 187.972,1127 62.139,1128 5.594,1129 5.613,1130 6.941,1131 5.453,1132 5.366,1133 7.54,1134 2.912,1135 19.07,1136 5.316,1137 19.333,1138 1.519,1139 1.537,1140 1.525,1141 1.503,1142 1.504,1143 1.914,1144 0.206,1145 4.371,1146 1.445,1147 4.112,1148 4.142,1149 4.073,1150 4.047,1151 7.431,1152 4.048,1153 4.037,1154 4.073,1155 4,1156 3.922,1157 4.985,1158 3.933,1159 3.82,1160 3.869,1161 3.743,1162 3.737,1163 4.932,1164 3.734,1165 3.807,1166 3.859,1167 3.685,1168 3.586,1169 4.647,1170 3.601,1171 3.593,1172 3.656,1173 3.496,1174 3.417,1175 4.629,1176 3.424,1177 3.5,1178 3.546,1179 3.392,1180 3.374,1181 4.501,1182 3.374,1183 3.427,1184 3.478,1185 3.321,1186 3.194,1187 4.288,1188 3.213,1189 3.289,1190 3.343,1191 3.166,1192 3.059,1193 4.219,1194 3.081,1195 0.107,1196 0.084,1197 0.166,1198 0.101,1199 0.078,1200 4.594,1201 0.106,1202 3.613,1203 0.039,1204 7.139,1205 0.275,1206 4.35,1207 0.077,1208 3.366,1209 4.54,1210 1.656,1211 11.836,1212 3.316,1213 2.066,1214 2.051,1215 2.137,1216 2.136,1217 1.294,1218 2.136,1219 1.925,1220 1.894,1221 2.04,1222 2.032,1223 1.249,1224 2.033,1225 1.784,1226 1.737,1227 1.992,1228 1.982,1229 1.211,1230 1.977,1231 1.735,1232 1.673,1233 1.955,1234 1.919,1235 1.145,1236 1.946,1237 1.523,1238 1.477,1239 1.687,1240 1.765,1241 0.925,1242 1.73,1243 1.46,1244 1.413,1245 1.645,1246 1.656,1247 0.825,1248 1.662,1249 1.353,1250 1.295,1251 1.598,1252 1.576,1253 0.72,1254 1.584,1255 1.222,1256 1.154,1257 1.513,1258 1.464,1259 0.689,1260 1.472,1261 4.466,1263 5.802,1264 2.398,1265 7.323,1266 4.727,1267 8.929,1268 6.862,1269 10.581,1271 8.366,1277 4.856,1278 6.053,1279 11.589,1282 2.346,1283 -0.17,1289 46.68,1290 112.148,1291 266.431,1292 348.22,1293 390.539,1294 402.803,1295 404.803,1296 68.386,1297 8.452,1298 80.65,1299 80.65,1300 29,1301 12.911,1302 4.585,1303 3.7,1304 61.501,1305 207,1306 229,1307 0.142,1308 284.925,1309 491.79,1310 686.977,1311 65902,1313 27.407,1314 0.703,1315 0.594,1316 27.407,1317 23.16,1318 18.775,1319 0.437,1320 0.314,1321 13.293,1322 18.05,1323 12.824,1324 10.687,1325 18.775,1326 13.481,1327 17.699,1328 0.29,1329 0.18,1330 17.699,1331 10.951,1332 13.957,1333 0.179,1334 0.088,1335 13.957,1336 6.899,1337 11.568,1338 0.113,1339 0.045,1340 11.568,1341 4.605,1342 9.739,1343 0.074,1344 0.024,1345 9.739,1346 3.204,1347 0.228,1348 117.51,1349 0.187,1350 35.501,1351 0.379,1352 208,1353 552.808,1354 227.848,1355 532.378,1356 740.08,1357 502,1358 243,1359 556.217,1360 263.768,1361 563.342,1362 824.66,1363 529,1364 5}
{0 CHEMBL105442,1 1.983,2 9.88,3 4.908,4 24.087,5 99.228,6 12.274,7 0.444,8 3.792,9 3.884,10 3.775,11 3.435,12 5.022,13 3.394,14 4.273,15 4.4,16 4.197,17 3.786,18 5.534,19 3.708,20 4.519,21 4.69,22 4.354,23 3.863,24 6.008,25 3.773,26 4.473,27 4.655,28 4.497,29 3.765,30 5.852,31 3.678,32 4.37,33 4.525,34 4.097,35 3.624,36 5.907,37 3.633,38 4.392,39 4.524,40 4.225,41 3.733,42 6.046,43 3.707,44 4.409,45 4.554,46 4.266,47 3.714,48 5.974,49 3.646,50 4.31,51 4.504,52 4.362,53 3.646,54 5.56,55 3.482,56 0.19,57 0.668,58 0.871,59 3.405,60 18.075,61 3.508,62 0.379,63 1.031,64 4.693,65 6.413,66 38.569,67 6.332,68 0.857,69 1.404,70 33.685,71 9.985,72 101.366,73 8.732,74 0.789,75 1.191,76 46.152,77 9.47,78 78.619,79 7.529,80 0.793,81 1.123,82 12.827,83 6.22,84 106.151,85 5.258,86 0.863,87 1.152,88 19.438,89 7.893,90 106.636,91 6.804,92 0.91,93 1.123,94 11.633,95 7.74,96 109.321,97 6.234,98 0.65,99 1.068,100 22.075,101 9.053,102 79.569,103 7.243,104 26,105 38,106 0.355,107 0.704,108 0.829,109 0.891,110 0.891,111 0.891,112 3.267,113 1.004,114 -5.59,115 -5.46,116 -5.09,118 43.6,120 2,121 1,124 1,138 5,139 1,140 6,153 1,163 1,167 6,171 2,173 1,175 3,178 5,181 1,182 4,186 6,188 3,192 2,195 1,196 1,197 4,199 3,204 2,206 1,208 1,211 5,215 3,220 1,223 7,228 4,233 4,235 7,240 3,245 2,247 3,252 1,257 1,260 2,264 1031,265 16.499,266 16.499,267 16.499,268 16.499,269 16.499,270 14.722,271 16.843,272 9.551,273 17.054,274 13.256,275 13.256,276 13.256,277 13.256,278 13.256,279 10.619,280 19.271,281 4.509,282 14.337,283 3.302,284 1.356,285 0.657,286 0.308,287 0.308,288 0.308,289 3.932,290 1,293 1,294 1,295 524,296 3.317,297 51.118,300 170.887,307 1.485,308 42.023,311 0.75,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.84,319 55.733,320 247,321 4.52,322 4.041,323 6.732,324 4.133,325 3.167,326 4.211,327 2.095,328 10.87,329 3.063,330 4.208,331 3.49,332 6.052,333 3.738,334 2.821,335 3.862,336 0.776,337 8.685,338 2.636,339 3.839,340 3.218,341 5.862,342 3.652,343 2.662,344 3.193,345 0.4,346 7.781,347 2.547,348 3.654,349 3.189,350 5.492,351 3.461,352 2.496,353 2.787,355 7.387,356 2.371,357 3.475,358 2.638,359 5.038,360 2.985,361 2.138,362 2.658,364 5.926,365 1.771,366 3.169,367 2.623,368 4.887,369 2.738,370 1.829,371 2.366,373 5.201,374 1.487,375 2.872,376 2.437,377 4.209,378 2.474,379 1.519,380 1.964,382 3.779,383 1.423,384 2.82,385 1.985,386 4.146,387 2.33,388 1.414,389 1.946,391 3.641,392 1.226,393 2.241,394 1.85,395 3.475,396 2.022,397 1.065,398 1.187,400 2.393,401 0.999,402 1.75,403 1.153,404 3.246,405 1.412,406 0.548,407 0.629,409 1.357,410 0.415,411 1.375,412 1.013,413 2.793,414 1.135,415 0.174,416 0.193,417 0.394,418 0.158,419 1.225,420 0.664,421 2.687,422 0.941,423 0.072,424 0.082,425 0.165,426 0.047,427 1.171,428 0.378,429 2.417,430 0.721,431 -0.199,432 -0.25,433 -0.481,434 -0.117,435 0.797,436 0.195,437 2.359,438 0.255,439 -0.514,440 -0.621,441 -1.242,442 -0.207,443 0.427,444 -0.151,445 2.114,446 0.223,447 -0.742,448 -0.817,449 -1.619,450 -0.623,451 12.895,452 0.516,453 0.72,454 0.029,455 29.75,456 1.19,457 14,458 0.56,459 15.75,460 0.63,461 22.959,462 0.918,463 26.705,464 0.685,465 21.203,466 0.848,467 5.645,468 0.226,469 6.307,470 0.252,471 0.253,473 0.349,477 2,478 0.58,479 0.846,480 0.467,481 0.56,482 0.516,483 0.716,484 0.758,485 1.038,486 0.575,487 0.692,488 0.609,489 0.911,490 0.816,491 0.989,492 0.951,493 0.953,494 0.752,495 0.933,496 1.243,497 0.96,498 0.713,499 0.725,500 1.133,501 0.79,502 1.27,503 0.935,504 0.351,505 0.491,506 1.313,507 0.702,508 1.042,509 1.118,510 0.598,511 0.728,512 1.132,513 0.838,514 1.249,515 1.123,516 0.595,517 0.71,518 1.459,519 0.976,520 1.157,521 1.085,522 1.055,523 1.051,524 1.182,525 1.055,526 5.5,527 0.09,528 3.611,529 1.91,530 1.623,531 0.976,532 0.691,533 0.441,534 0.261,535 0.148,536 6836,537 26239,538 2.015,539 35.9,540 4,541 7,544 2,546 1,549 1.685,550 1.852,551 3.247,552 0.352,557 1,558 77.341,559 1.983,560 3.93,561 4.629,562 4.978,563 4.978,564 4.978,565 2.713,566 4.484,567 4.61,568 3.422,569 1026.7,570 8.004,571 12430.5,576 206.131,577 1.516,578 4.555,579 0.204,580 0.008,581 0.103,582 0.05,583 0.048,584 0.029,585 0.019,586 0.014,587 0.011,588 0.009,589 0.495,590 0.33,591 0.75,592 0.65,593 119.967,594 0.003,595 0.042,596 -0.002,597 0.03,598 -0.014,599 0.043,600 -0.034,601 -0.177,602 0.009,603 -0.003,604 0.014,605 -0.066,606 0.148,607 -0.026,608 -0.043,609 -0.031,610 0.167,611 0.005,612 -0.151,613 0.005,614 0.059,615 0.106,616 -0.11,617 0.12,618 -0.1,619 0.097,620 0.009,621 0.06,622 -0.058,623 0.08,624 0.169,625 -0.015,626 -0.016,627 -0.013,628 0.153,629 0.01,630 -0.017,631 -0.032,632 -0.005,633 0.008,634 -0.085,635 -0.127,636 -0.131,637 -0.081,638 0.035,639 0.011,640 -0.157,641 -0.033,642 2.829,643 6.277,644 0.6,645 22.128,646 1.034,647 1.13,648 4.357,649 18.986,650 0.754,651 3.332,652 3.664,653 3.85,654 4.025,655 4.234,656 4.29,657 4.277,658 4.304,659 4.369,660 4.29,661 5.899,662 0.708,663 478.68,664 3.332,665 4.875,666 5.72,667 6.592,668 7.454,669 8.329,670 9.198,671 10.075,672 10.947,673 11.826,674 5.1,681 1,682 1,690 5,695 7,697 12,709 1,715 4,716 39,718 13,719 2,720 27,722 41,723 17,724 12,725 7,726 5,727 1,728 3,729 3,730 1,735 2,736 1,738 2,740 13,741 4,742 1,744 1,749 1,753 1,758 2,760 14,761 6,762 2,763 8,764 2,765 1,769 2,775 1,776 2,791 1,794 2,814 1,819 3,824 1,825 2,826 1,827 25,833 3,834 2,835 1,837 1,849 4,850 5.1,853 1,854 1,858 13.5,859 6.905,860 5.472,861 2.282,863 2.424,864 1.356,865 0.995,866 6.015,867 9.226,868 3.555,869 4.143,870 4.635,871 5.119,872 5.636,873 5.809,874 5.966,875 6.235,876 6.586,877 6.773,878 0.857,879 38,880 9.366,881 4.171,882 8.176,883 17.112,884 14.073,885 2.676,886 66.898,890 141.253,891 150.631,892 38.636,893 39.149,894 36.364,895 29.92,896 56.782,897 93.849,898 216.766,899 68.556,901 30.287,902 47.381,903 41.068,904 50.112,905 29.92,906 198.035,907 39.149,908 141.253,909 132.485,910 66.284,911 39.149,912 56.782,913 159.402,914 36.916,915 11.219,917 48.297,918 84.187,919 39.149,920 56.782,921 171.173,922 75,923 132.997,924 56.782,926 141.253,927 46.467,928 104.163,929 38.636,930 105.433,931 141.253,932 104.92,933 132.997,934 56.782,935 0.59,936 0.327,937 0.16,938 0.086,939 18,940 9,941 0.146,942 6,944 1,945 3.689,946 201.789,948 15,949 114.096,954 18.668,955 8.055,956 4.954,958 104.92,959 7.132,964 -1.033,966 38.636,967 435.952,968 34,973 12.261,977 -0.663,980 40.345,981 44.081,983 0.375,984 0.744,985 0.876,986 0.942,987 0.942,988 0.942,989 4.804,990 1.414,991 5.72,992 3.779,993 4.344,994 4.828,995 2.425,996 6.526,997 4.201,998 6.027,999 1.065,1000 7.292,1001 3.641,1002 4.111,1003 4.783,1005 7.493,1006 3.865,1007 7.346,1008 0.548,1009 8.964,1010 2.393,1011 5.964,1012 7.004,1013 3.697,1014 10.527,1015 5.74,1016 8.695,1017 0.174,1018 10.69,1019 1.357,1020 6.463,1021 7.7,1023 12.261,1024 6.162,1025 10.072,1026 0.072,1027 12.45,1028 0.394,1029 7.855,1030 9.477,1031 5.14,1032 14.869,1033 7.563,1034 11.468,1035 -0.199,1036 14.234,1037 0.165,1038 8.679,1039 10.52,1041 16.941,1042 8.328,1043 12.88,1044 -0.514,1045 16.036,1046 -0.481,1047 9.898,1048 12.113,1049 6.612,1050 19.4,1051 9.54,1052 3.167,1053 -0.742,1054 17.852,1055 -1.242,1056 10.876,1057 13.332,1059 21.633,1060 10.471,1061 2.821,1062 10.87,1063 19.679,1064 -1.619,1065 12.028,1066 14.839,1067 8.09,1068 24.038,1069 11.606,1070 2.662,1071 8.685,1072 21.516,1073 4.211,1074 13.08,1075 16.152,1077 26.348,1078 12.619,1079 2.496,1080 7.781,1081 23.362,1082 3.862,1083 14.21,1084 17.615,1085 9.57,1086 28.735,1087 13.726,1088 2.138,1089 7.387,1090 25.215,1091 3.193,1092 15.3,1093 18.978,1095 31.082,1096 14.782,1097 1.829,1098 5.926,1099 27.074,1100 2.787,1101 16.425,1102 20.421,1103 11.049,1104 33.464,1105 15.882,1106 1.519,1107 5.201,1108 28.938,1109 2.658,1110 17.536,1111 21.811,1113 35.83,1114 16.961,1115 6676,1116 13255,1117 17.512,1118 29.404,1119 40.142,1120 44.575,1121 41.981,1122 40.177,1123 39.811,1124 50.157,1125 6.542,1126 115.158,1127 36.289,1128 5.489,1129 6.041,1130 6.296,1131 5.183,1132 5.167,1133 7.211,1134 4.191,1135 18.175,1136 5.063,1137 13.855,1138 1.487,1139 1.651,1140 1.555,1141 1.488,1142 1.474,1143 1.858,1144 0.242,1145 4.265,1146 1.344,1147 4.002,1148 4.027,1149 10.695,1150 4.034,1151 8.239,1152 3.925,1153 3.897,1154 3.945,1155 4.017,1156 3.851,1157 8.161,1158 3.8,1159 3.841,1160 3.858,1161 3.88,1162 3.788,1163 7.429,1164 3.775,1165 3.395,1166 3.426,1167 3.768,1168 3.381,1169 4.937,1170 3.15,1171 3.093,1172 3.156,1173 3.361,1174 3.089,1175 4.681,1176 2.986,1177 2.991,1178 3.04,1179 3.249,1180 2.796,1181 4.487,1182 2.77,1183 2.879,1184 2.922,1185 2.945,1186 2.768,1187 4.32,1188 2.735,1189 2.794,1190 2.844,1191 2.872,1192 2.716,1193 4.161,1194 2.678,1195 0.167,1196 0.15,1197 0.249,1198 0.153,1199 0.117,1200 4.52,1201 0.156,1202 4.041,1203 0.078,1204 6.732,1205 0.403,1206 4.133,1207 0.113,1208 3.167,1209 4.211,1210 2.095,1211 10.87,1212 3.063,1213 1.93,1214 1.912,1215 1.975,1216 2.036,1217 1.118,1218 2.022,1219 1.823,1220 1.809,1221 1.866,1222 1.883,1223 1.031,1224 1.896,1225 1.429,1226 1.379,1227 1.676,1228 1.699,1229 1.015,1230 1.68,1231 1.153,1232 1.123,1233 1.513,1234 1.425,1235 0.825,1236 1.429,1237 1.147,1238 1.064,1239 1.26,1240 1.376,1241 0.284,1242 1.385,1243 1.028,1244 0.979,1245 1.163,1246 1.232,1247 0.252,1248 1.234,1249 0.868,1250 0.824,1251 1.093,1252 1.016,1253 0.17,1254 1.059,1255 0.735,1256 0.702,1257 1.006,1258 0.995,1259 0.134,1260 0.973,1261 4.007,1262 1.946,1263 5.333,1264 3.714,1265 6.849,1266 5.416,1267 8.454,1268 7.086,1269 10.105,1272 6.12,1273 27.921,1274 2.081,1277 2.541,1278 4.968,1279 5.118,1281 0.452,1289 27.598,1290 77.341,1291 153.26,1292 180.521,1293 194.131,1294 194.131,1295 194.131,1296 67.312,1297 6.802,1298 50.36,1299 50.36,1300 15,1301 12.364,1302 3.807,1303 3,1304 41.529,1305 83,1306 98,1307 0.234,1308 181.063,1309 317.51,1310 433.555,1311 7431,1312 10.3,1313 17.974,1314 0.719,1315 0.633,1316 18.234,1317 15.827,1318 11.952,1319 0.443,1320 0.335,1321 7.543,1322 10.41,1323 7.35,1324 6.016,1325 12.286,1326 9.033,1327 10.984,1328 0.289,1329 0.194,1330 11.547,1331 7.371,1332 8.673,1333 0.189,1334 0.096,1335 8.734,1336 4.406,1337 6.499,1338 0.118,1339 0.053,1340 7.314,1341 2.937,1342 5.021,1343 0.074,1344 0.026,1345 5.349,1346 1.741,1347 0.36,1348 92.629,1349 0.239,1350 24.228,1351 0.661,1352 130,1353 542.211,1354 310.958,1355 536.301,1356 679.55,1357 494,1358 152,1359 425.256,1360 229.623,1361 439.453,1362 642.94,1363 412,1364 5}
{0 CHEMBL1075666,1 1.81,2 15.561,3 4.312,4 18.592,5 145.429,6 8.671,7 0.622,8 4.31,9 4.42,10 3.988,11 3.791,12 5.553,13 3.829,14 4.823,15 4.972,16 4.398,17 4.152,18 6.389,19 4.184,20 4.969,21 5.132,22 4.417,23 4.284,24 6.215,25 4.289,26 5.105,27 5.286,28 4.476,29 4.288,30 6.451,31 4.297,32 5.147,33 5.357,34 4.448,35 4.284,36 6.467,37 4.286,38 5.154,39 5.354,40 4.404,41 4.279,42 6.492,43 4.282,44 5.07,45 5.26,46 4.431,47 4.283,48 6.591,49 4.271,50 5.105,51 5.332,52 4.238,53 4.272,54 6.293,55 4.225,56 0.266,57 1.21,58 9.696,59 5.332,60 23.102,61 5.793,62 1.218,63 2.189,64 21.591,65 8.666,66 151.055,67 9.505,68 0.769,69 2.087,70 23.95,71 10.474,72 57.704,73 12.063,74 1.333,75 2.29,76 31.122,77 11.566,78 100.358,79 13.662,80 1.356,81 2.374,82 35.136,83 11.585,84 112.891,85 14.167,86 1.74,87 2.295,88 37.62,89 12.378,90 178.547,91 13.59,92 1.468,93 2.18,94 30.538,95 11.032,96 171.885,97 13.59,98 1.301,99 2.169,100 36.873,101 13.05,102 139.102,103 15.522,104 46,105 64,106 0.283,107 0.631,108 0.786,109 0.86,110 0.869,111 0.884,112 3.741,113 0.815,114 -3.51,115 -3.48,116 -3.33,118 43.1,123 2,124 1,130 1,138 8,139 3,140 4,141 3,142 1,143 1,147 2,154 1,156 1,167 7,170 1,171 6,173 3,174 1,175 4,178 6,181 2,182 6,184 3,186 6,188 3,191 1,192 8,197 5,203 1,204 11,206 4,208 6,215 8,218 1,220 2,223 3,227 3,228 3,231 2,232 1,233 1,235 10,239 3,240 3,243 2,247 10,252 5,255 1,256 1,257 1,260 5,264 3497,265 27.607,266 27.607,267 27.607,268 27.607,269 27.607,270 24.225,271 31.263,272 16.154,273 28.639,274 22.151,275 22.151,276 22.151,277 22.151,278 22.151,279 16.842,280 46.855,281 7.554,282 23.696,283 4.212,284 1.987,285 1,286 0.527,287 0.466,288 0.373,289 4.442,294 1,295 1376,296 4.528,299 105.737,300 536.081,303 184.233,307 2.422,308 60.88,311 0.75,312 0.67,313 0.83,314 0.5,316 0.83,317 1,318 0.65,319 93,320 638,321 4.593,322 4.473,323 7.258,324 4.282,325 3.397,326 4.516,327 3.825,328 12.299,329 3.053,330 4.574,331 3.573,332 6.573,333 4.073,334 3.133,335 4.169,336 1.656,337 10.48,338 2.956,339 4.179,340 3.172,341 6.182,342 3.79,343 2.855,344 3.805,345 0.86,346 9.197,347 2.7,348 4.088,349 3.129,350 6.11,351 3.728,352 2.774,353 3.446,354 0.86,355 8.962,356 2.57,357 3.898,358 2.805,359 5.519,360 3.506,361 2.521,362 3.4,363 0.657,364 7.297,365 2.483,366 3.76,367 2.725,368 5.422,369 3.403,370 2.447,371 3.121,372 0.247,373 7.012,374 2.324,375 3.517,376 2.685,377 5.367,378 3.128,379 2.216,380 2.855,382 6.908,383 2.016,384 3.47,385 2.331,386 5.191,387 3.006,388 2.084,389 2.75,391 6.259,392 1.918,393 3.348,394 2.185,395 4.866,396 2.931,397 1.97,398 2.549,400 5.523,401 1.847,402 2.943,403 1.99,404 4.503,405 2.502,406 1.564,407 2.122,409 4.465,410 1.449,411 2.92,412 1.599,413 4.353,414 2.431,415 1.498,416 2.09,417 4.045,418 1.394,419 2.876,420 1.531,421 3.79,422 2.404,423 1.436,424 1.991,425 3.186,426 1.377,427 2.659,428 1.454,429 3.714,430 2.152,431 1.179,432 1.733,433 2.685,434 1.146,435 2.5,436 1.201,437 3.589,438 1.984,439 1,440 1.5,441 2.382,442 0.983,443 2.5,444 1.016,445 3.469,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 18.657,452 0.455,453 1.099,454 0.027,455 58.25,456 1.421,457 30,458 0.732,459 28.25,460 0.689,461 32.872,462 0.802,463 44.343,464 0.682,465 54.255,466 1.323,467 12.114,468 0.295,469 7.631,470 0.186,471 0.117,472 0.027,473 0.316,476 3,478 0.716,479 1.155,480 0.644,481 1.099,482 0.602,483 0.903,484 0.707,485 0.796,486 0.746,487 0.835,488 0.445,489 0.813,490 0.768,491 0.977,492 0.88,493 1.092,494 0.66,495 1.045,496 0.857,497 1.177,498 0.942,499 1.152,500 0.832,501 1.093,502 0.911,503 0.913,504 0.97,505 0.945,506 0.964,507 0.957,508 1.284,509 1.005,510 1.156,511 0.878,512 1.344,513 0.939,514 0.615,515 0.786,516 0.92,517 0.94,518 0.639,519 1.014,520 1.046,521 0.831,522 1.099,523 0.874,524 1.131,525 0.969,526 9.5,527 0.279,528 4.444,529 2.813,530 2.782,531 1.646,532 1.095,533 0.549,534 0.514,535 0.349,536 29448,537 100850,538 2.069,539 36.9,541 16,542 2,543 3,544 3,549 1.805,550 1.929,551 3.88,552 0.813,558 117.648,559 1.81,560 4.036,561 5.022,562 5.495,563 5.557,564 5.649,565 3.352,566 4.83,567 5.331,568 4.099,569 3361.36,570 9.413,571 60649.6,576 391.454,577 1.537,578 5.28,579 0.211,580 0.006,581 0.069,582 0.043,583 0.042,584 0.026,585 0.018,586 0.009,587 0.01,588 0.007,589 0.44,590 0.33,591 0.75,592 0.812,593 235.016,594 -0.084,595 -0.18,596 0.031,597 -0.098,598 -0.1,599 -0.013,600 0.228,601 0.24,602 0.092,603 0.138,604 0.366,605 0.08,606 -0.048,607 -0.088,608 -0.06,609 -0.12,610 -0.037,611 -0.105,612 0.069,613 -0.214,614 -0.015,615 -0.181,616 0.028,617 -0.14,618 0.008,619 0.019,620 0.004,621 -0.006,622 -0.015,623 0.001,624 -0.121,625 0.042,626 -0.136,627 0.105,628 -0.151,629 0.021,630 0.234,631 0.12,632 -0.004,633 0.012,634 0.284,635 -0.063,636 -0.116,637 0.145,638 -0.084,639 0.135,640 -0.153,641 0.068,642 5.95,643 5.795,644 0.659,645 51.617,646 1.032,647 1.143,648 2.277,649 5.185,650 0.674,651 3.829,652 4.174,653 4.431,654 4.71,655 4.934,656 5.03,657 5.176,658 5.226,659 5.338,660 5.434,661 9.14,662 0.672,663 563.59,664 3.829,665 5.389,666 6.24,667 7.132,668 8.001,669 8.896,670 9.774,671 10.669,672 11.552,673 12.448,674 10.8,679 1,681 2,682 1,684 3,689 1,690 13,691 3,695 9,697 28,709 1,714 2,716 65,718 29,719 2,720 45,722 69,723 28,724 23,725 6,726 6,728 5,729 6,731 1,732 1,737 1,740 24,741 4,744 1,749 1,753 1,758 3,760 24,761 12,762 3,763 13,766 1,769 7,775 0.8,776 3,784 1,787 1,793 1,794 4,797 1,819 4,823 2,825 3,827 41,833 1,834 3,835 2,839 1,849 3,850 4.6,853 1,855 2,858 21.25,859 12.312,860 8.972,861 3.446,863 5.157,864 1.591,865 1.005,866 8.289,867 13.876,868 4.111,869 4.743,870 5.337,871 5.946,872 6.482,873 6.783,874 7.212,875 7.584,876 7.911,877 8.305,878 1,879 66,880 15.734,881 7.292,882 8.124,883 27.682,884 22.156,885 2.624,886 107.583,890 247.193,891 189.311,892 105.675,894 47.145,895 44.88,897 189.311,898 294.338,899 150.556,900 21.766,901 38.127,902 93.905,903 130.541,904 123.623,905 30.146,906 188.338,907 7.76,908 247.193,909 294.987,910 92.025,913 247.193,914 92.025,917 78.788,918 147.832,919 68.367,921 292.073,922 152.82,923 189.311,926 254.953,927 38.739,928 144.1,929 54.032,930 142.382,931 247.193,932 197.7,933 189.311,935 0.583,936 0.338,937 0.187,938 0.104,939 30,940 14,941 0.116,942 8,943 1,944 1.074,945 4.973,946 413.549,947 0.074,948 27,949 210.905,954 28.213,955 12.045,956 6.536,957 0.642,958 196.414,959 21.196,960 13.152,964 1.613,966 54.032,967 634.205,968 60,973 12.795,977 -0.767,980 67.069,981 74.287,983 0.301,984 0.67,985 0.834,986 0.912,987 0.923,988 0.938,989 5.357,990 2.084,991 6.252,992 6.908,993 4.86,994 5.432,995 3.383,996 7.094,997 4.733,998 6.587,999 1.97,1000 7.833,1001 6.259,1002 4.575,1003 5.293,1004 3.949,1005 8.179,1006 4.326,1007 7.912,1008 1.564,1009 9.522,1010 5.523,1011 6.518,1012 7.67,1013 5.475,1014 11.228,1015 6.258,1016 9.273,1017 1.498,1018 11.276,1019 4.465,1020 7.04,1021 8.333,1022 6.701,1023 13.133,1024 6.642,1025 10.665,1026 1.436,1027 13.073,1028 4.045,1029 8.483,1030 10.2,1031 8.066,1032 15.763,1033 8.063,1034 12.078,1035 1.179,1036 14.901,1037 3.186,1038 9.364,1039 11.253,1040 9.391,1041 18.003,1042 8.809,1043 13.509,1044 1,1045 16.753,1046 2.685,1047 10.627,1048 12.902,1049 10.736,1050 20.514,1051 10.025,1052 3.397,1053 1,1054 18.624,1055 2.382,1056 11.673,1057 14.16,1058 12.075,1059 22.896,1060 10.945,1061 3.133,1062 12.299,1063 20.51,1064 2.2,1065 12.875,1066 15.71,1067 13.417,1068 25.379,1069 12.076,1070 2.855,1071 10.48,1072 22.408,1073 4.516,1074 13.997,1075 17.076,1076 14.758,1077 27.821,1078 13.081,1079 2.774,1080 9.197,1081 24.318,1082 4.169,1083 15.183,1084 18.585,1085 16.1,1086 30.304,1087 14.181,1088 2.521,1089 8.962,1090 26.236,1091 3.805,1092 16.342,1093 20.008,1094 17.441,1095 32.775,1096 15.228,1097 2.447,1098 7.297,1099 28.163,1100 3.446,1101 17.528,1102 21.5,1103 18.783,1104 35.263,1105 16.318,1106 2.216,1107 7.012,1108 30.097,1109 3.4,1110 18.706,1111 22.953,1112 20.124,1113 37.748,1114 17.387,1115 27841,1116 51815,1117 29.819,1118 43.83,1119 68.045,1120 68.464,1121 69.002,1122 67.406,1123 67.296,1124 89.294,1125 16.212,1126 197.292,1127 62.923,1128 5.472,1129 6.473,1130 7.06,1131 5.353,1132 5.397,1133 7.516,1134 5.335,1135 19.809,1136 5.053,1137 22.049,1138 1.512,1139 1.521,1140 1.533,1141 1.498,1142 1.495,1143 1.984,1144 0.36,1145 4.384,1146 1.398,1147 4.13,1148 4.181,1149 4.102,1150 3.976,1151 8.513,1152 3.999,1153 3.971,1154 3.992,1155 3.947,1156 3.856,1157 7.999,1158 3.873,1159 3.88,1160 3.919,1161 3.823,1162 3.787,1163 7.999,1164 3.791,1165 3.863,1166 3.9,1167 3.804,1168 3.75,1169 7.431,1170 3.761,1171 3.482,1172 3.524,1173 3.463,1174 3.203,1175 5.115,1176 3.253,1177 3.367,1178 3.434,1179 3.332,1180 3.129,1181 4.905,1182 3.16,1183 3.338,1184 3.395,1185 3.254,1186 3.054,1187 4.886,1188 3.094,1189 3.256,1190 3.318,1191 3.113,1192 3.011,1193 4.744,1194 3.029,1195 0.102,1196 0.099,1197 0.161,1198 0.095,1199 0.075,1200 4.593,1201 0.1,1202 4.473,1203 0.085,1204 7.258,1205 0.273,1206 4.282,1207 0.068,1208 3.397,1209 4.516,1210 3.825,1211 12.299,1212 3.053,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.893,1220 1.879,1221 1.979,1222 2.027,1223 1.103,1224 2.003,1225 1.855,1226 1.817,1227 1.953,1228 1.978,1229 1.089,1230 1.979,1231 1.737,1232 1.691,1233 1.819,1234 1.903,1235 0.907,1236 1.888,1237 1.401,1238 1.341,1239 1.59,1240 1.627,1241 0.587,1242 1.603,1243 1.306,1244 1.264,1245 1.56,1246 1.613,1247 0.579,1248 1.588,1249 1.221,1250 1.164,1251 1.552,1252 1.553,1253 0.565,1254 1.542,1255 1.167,1256 1.092,1257 1.416,1258 1.5,1259 0.457,1260 1.482,1261 4.511,1263 5.849,1264 2.398,1265 7.376,1266 4.595,1267 8.991,1268 6.605,1269 10.654,1271 2.398,1273 40.54,1277 0.508,1278 8.373,1279 10.003,1283 -4.7,1289 43.712,1290 117.648,1291 262.329,1292 326.434,1293 357.189,1294 361.189,1295 367.189,1296 91.145,1297 8.719,1298 114.7,1299 114.7,1300 29,1301 12.975,1302 4.907,1303 4,1304 66.472,1305 229,1306 224,1307 0.139,1308 264.549,1309 461.28,1310 637.259,1311 94001,1312 4.6,1313 28.985,1314 0.707,1315 0.533,1316 26.485,1317 21.86,1318 19.745,1319 0.439,1320 0.272,1321 11.93,1322 18.583,1323 11.712,1324 9.706,1325 18.534,1326 12.23,1327 18.338,1328 0.287,1329 0.137,1330 16.342,1331 8.752,1332 14.695,1333 0.177,1334 0.073,1335 13.936,1336 6.075,1337 12.584,1338 0.114,1339 0.038,1340 11.861,1341 4.135,1342 10.167,1343 0.074,1344 0.02,1345 9.387,1346 2.708,1347 0.224,1348 126.735,1349 0.183,1350 36.884,1351 0.369,1352 218,1353 889.119,1354 256.671,1355 770.22,1356 1024.38,1357 718,1358 256,1359 733.84,1360 288.994,1361 724.003,1362 1074.95,1363 676,1364 6.286}
{0 CHEMBL1075667,1 1.77,2 16.256,3 5.009,4 25.094,5 154.925,6 8.333,7 0.596,8 4.385,9 4.499,10 4.031,11 3.868,12 5.586,13 3.893,14 4.911,15 5.068,16 4.438,17 4.223,18 6.429,19 4.241,20 5.088,21 5.274,22 4.448,23 4.338,24 6.278,25 4.335,26 5.14,27 5.318,28 4.522,29 4.351,30 6.468,31 4.357,32 5.213,33 5.415,34 4.525,35 4.395,36 6.491,37 4.388,38 5.281,39 5.481,40 4.534,41 4.421,42 6.593,43 4.414,44 5.278,45 5.483,46 4.53,47 4.409,48 6.739,49 4.396,50 5.217,51 5.43,52 4.364,53 4.396,54 6.428,55 4.35,56 0.228,57 1.286,58 11.745,59 5.993,60 24.429,61 6.903,62 1.172,63 2.3,64 25.238,65 9.828,66 152.304,67 11.587,68 0.918,69 2.186,70 32.173,71 11.887,72 71.826,73 14.483,74 1.241,75 2.392,76 33.396,77 12.108,78 98.474,79 14.716,80 1.265,81 2.564,82 37.589,83 12.733,84 115.72,85 15.917,86 1.603,87 2.644,88 42.517,89 14.351,90 159.251,91 16.801,92 1.938,93 2.628,94 43.446,95 13.92,96 247.563,97 16.692,98 1.234,99 2.488,100 39.659,101 14.263,102 129.319,103 16.964,104 50,105 66,106 0.273,107 0.622,108 0.785,109 0.851,110 0.86,111 0.873,112 3.788,113 0.856,114 -3.89,115 -3.84,116 -3.65,118 42.3,119 2,124 3,130 1,138 8,139 3,140 4,141 3,142 1,143 1,147 2,154 1,156 1,167 7,170 1,171 8,173 3,174 1,175 4,178 6,181 2,182 6,184 3,186 6,188 3,191 1,192 8,197 5,199 3,203 1,204 11,206 4,208 7,211 2,215 10,218 1,220 2,223 4,227 3,228 4,231 2,232 1,233 3,235 10,239 3,240 3,243 2,247 11,252 6,255 1,256 1,257 2,260 7,264 4009,265 29.021,266 29.021,267 29.021,268 29.021,269 29.021,270 25.639,271 33.419,272 17.373,273 30.129,274 23.227,275 23.227,276 23.227,277 23.227,278 23.227,279 17.964,280 49.181,281 8.162,282 24.918,283 4.38,284 2.115,285 1.057,286 0.623,287 0.567,288 0.483,289 4.489,294 1,295 1502,296 4.743,299 112.561,300 568.902,303 195.971,307 2.389,308 63.967,311 0.75,312 0.5,313 0.67,314 0.5,315 0.5,316 0.83,317 1,318 0.68,319 97,320 699,321 4.594,322 4.473,323 7.258,324 4.283,325 3.398,326 4.516,327 3.825,328 12.305,329 3.054,330 4.574,331 3.573,332 6.573,333 4.073,334 3.133,335 4.17,336 1.656,337 10.48,338 2.956,339 4.179,340 3.172,341 6.189,342 3.792,343 2.859,344 3.805,345 0.86,346 9.239,347 2.7,348 4.091,349 3.147,350 6.11,351 3.731,352 2.775,353 3.446,354 0.86,355 8.963,356 2.573,357 3.898,358 2.806,359 5.531,360 3.506,361 2.522,362 3.403,363 0.657,364 7.318,365 2.483,366 3.761,367 2.741,368 5.427,369 3.406,370 2.45,371 3.121,372 0.247,373 7.013,374 2.326,375 3.524,376 2.721,377 5.367,378 3.146,379 2.24,380 2.855,382 6.989,383 2.023,384 3.472,385 2.332,386 5.191,387 3.007,388 2.085,389 2.755,391 6.259,392 1.918,393 3.358,394 2.185,395 4.874,396 2.947,397 1.987,398 2.558,400 5.571,401 1.865,402 2.951,403 2.086,404 4.518,405 2.541,406 1.611,407 2.125,409 4.539,410 1.477,411 2.92,412 1.674,413 4.355,414 2.431,415 1.498,416 2.09,417 4.055,418 1.394,419 2.889,420 1.599,421 3.826,422 2.411,423 1.445,424 2.007,425 3.186,426 1.388,427 2.659,428 1.531,429 3.777,430 2.153,431 1.185,432 1.733,433 2.694,434 1.146,435 2.5,436 1.37,437 3.59,438 2.058,439 1.151,440 1.5,441 2.474,442 1.027,443 2.5,444 1.201,445 3.47,446 1.984,447 1.04,448 1.5,449 2.38,450 0.983,451 19.657,452 0.457,453 1.099,454 0.026,455 59.25,456 1.378,457 30,458 0.698,459 29.25,460 0.68,461 37.537,462 0.873,463 46.943,464 0.661,465 55.512,466 1.291,467 11.999,468 0.279,469 8.746,470 0.203,471 0.111,472 0.025,473 0.3,476 3,478 0.706,479 1.172,480 0.672,481 1.123,482 0.604,483 0.937,484 0.669,485 0.859,486 0.752,487 0.953,488 0.425,489 0.898,490 0.894,491 0.89,492 0.865,493 0.932,494 0.67,495 0.902,496 0.878,497 1.201,498 0.918,499 1.131,500 0.852,501 1.054,502 0.903,503 0.959,504 0.965,505 0.992,506 0.987,507 0.987,508 1.177,509 1.096,510 1.074,511 1.006,512 1.219,513 1.001,514 1.064,515 0.883,516 1.07,517 0.854,518 1.098,519 0.936,520 1.102,521 0.948,522 1.161,523 1,524 1.194,525 1.075,526 9.5,527 0.288,528 4.444,529 2.813,530 2.782,531 1.868,532 1.256,533 0.674,534 0.539,535 0.349,536 33122,537 107196,538 2.066,539 39.4,541 14,542 2,543 3,544 3,546 6,549 1.817,550 1.933,551 3.922,552 0.779,558 125.658,559 1.77,560 4.035,561 5.093,562 5.526,563 5.583,564 5.667,565 3.356,566 5.13,567 5.4,568 4.141,569 3739.77,570 9.555,571 69896,576 436.632,577 1.506,578 5.352,579 0.202,580 0.006,581 0.067,582 0.041,583 0.04,584 0.027,585 0.018,586 0.01,587 0.009,588 0.006,589 0.426,590 0.33,591 0.75,592 0.997,593 249.882,594 -0.071,595 -0.173,596 0.035,597 -0.092,598 -0.097,599 -0.012,600 0.263,601 0.18,602 0.109,603 0.037,604 0.382,605 0.022,606 -0.073,607 -0.036,608 0.031,609 0.038,610 -0.032,611 0.057,612 0.077,613 -0.196,614 -0.004,615 -0.15,616 0.036,617 -0.111,618 0.017,619 0.013,620 -0.027,621 -0.039,622 -0.037,623 -0.044,624 -0.059,625 -0.05,626 -0.083,627 -0.02,628 -0.082,629 -0.044,630 0.083,631 0.168,632 -0.065,633 0.114,634 0.135,635 0.008,636 -0.146,637 0.057,638 -0.196,639 -0.005,640 -0.159,641 -0.088,642 5.953,643 5.939,644 0.628,645 56.249,646 1.026,647 1.143,648 2.658,649 7.063,650 0.667,651 3.871,652 4.205,653 4.454,654 4.745,655 4.977,656 5.094,657 5.242,658 5.308,659 5.384,660 5.472,661 9.408,662 0.659,663 591.65,664 3.871,665 5.425,666 6.271,667 7.16,668 8.028,669 8.923,670 9.8,671 10.696,672 11.579,673 12.476,674 9.9,679 1,681 2,682 1,684 3,689 1,690 13,691 3,695 9,697 28,709 1,714 2,716 71,718 29,719 2,720 47,722 75,723 30,724 23,725 6,726 6,728 5,729 6,731 1,732 3,737 1,740 24,741 6,744 1,749 1,753 1,758 3,760 28,761 12,762 3,763 13,766 1,769 7,775 0.8,776 3,784 1,787 1,793 1,794 4,797 1,819 4,823 2,825 3,827 43,833 3,834 3,835 2,839 1,849 3,850 4.2,853 1,855 2,858 22.25,859 13.312,860 9.472,861 4.279,863 5.187,864 1.588,865 0.997,866 9.339,867 14.007,868 4.143,869 4.76,870 5.347,871 5.961,872 6.5,873 6.81,874 7.243,875 7.62,876 7.929,877 8.317,878 0.909,879 68,880 16.528,881 7.604,882 8.072,883 29.315,884 23.427,885 2.572,886 110.583,890 294.278,891 194.38,892 105.675,894 47.145,895 44.88,897 194.38,898 341.422,899 150.556,900 17.65,901 47.312,902 93.905,903 130.541,904 123.623,905 30.146,906 235.422,907 7.76,908 294.278,909 300.056,910 92.025,913 223.651,914 162.652,917 105.623,918 126.066,919 68.367,921 339.158,922 152.82,923 194.38,926 302.037,927 47.923,928 139.984,929 54.032,930 142.382,931 294.278,932 197.7,933 194.38,935 0.576,936 0.328,937 0.187,938 0.107,939 30,940 14,941 0.133,942 10,943 1,944 1.074,945 5.115,946 439.76,947 0.074,948 27,949 224.574,954 30.144,955 13.322,956 7.367,957 0.644,958 196.414,959 21.361,960 13.186,964 1.77,966 54.032,967 686.358,968 62,973 12.939,977 -0.756,980 72.836,981 81.118,983 0.288,984 0.656,985 0.828,986 0.899,987 0.908,988 0.922,989 5.384,990 2.085,991 6.275,992 6.989,993 4.89,994 5.449,995 3.383,996 7.111,997 4.761,998 6.606,999 1.987,1000 7.849,1001 6.259,1002 4.575,1003 5.293,1004 3.949,1005 8.179,1006 4.326,1007 7.926,1008 1.611,1009 9.532,1010 5.571,1011 6.535,1012 7.675,1013 5.475,1014 11.238,1015 6.271,1016 9.283,1017 1.498,1018 11.283,1019 4.539,1020 7.04,1021 8.333,1022 6.701,1023 13.138,1024 6.642,1025 10.672,1026 1.445,1027 13.079,1028 4.055,1029 8.494,1030 10.202,1031 8.066,1032 15.771,1033 8.07,1034 12.084,1035 1.185,1036 14.906,1037 3.186,1038 9.367,1039 11.254,1040 9.391,1041 18.009,1042 8.811,1043 13.513,1044 1.151,1045 16.757,1046 2.694,1047 10.634,1048 12.903,1049 10.736,1050 20.521,1051 10.029,1052 3.398,1053 1.04,1054 18.627,1055 2.474,1056 11.677,1057 14.161,1058 12.075,1059 22.901,1060 10.948,1061 3.133,1062 12.305,1063 20.513,1064 2.38,1065 12.88,1066 15.712,1067 13.417,1068 25.385,1069 12.08,1070 2.859,1071 10.48,1072 22.411,1073 4.516,1074 14.001,1075 17.077,1076 14.758,1077 27.828,1078 13.085,1079 2.775,1080 9.239,1081 24.32,1082 4.17,1083 15.188,1084 18.586,1085 16.1,1086 30.31,1087 14.185,1088 2.522,1089 8.963,1090 26.239,1091 3.805,1092 16.346,1093 20.009,1094 17.441,1095 32.782,1096 15.232,1097 2.45,1098 7.318,1099 28.166,1100 3.446,1101 17.533,1102 21.501,1103 18.783,1104 35.27,1105 16.322,1106 2.24,1107 7.013,1108 30.099,1109 3.403,1110 18.711,1111 22.955,1112 20.124,1113 37.756,1114 17.391,1115 31439,1116 56829,1117 31.205,1118 47.353,1119 70.833,1120 71.246,1121 71.534,1122 70.259,1123 70.105,1124 92.126,1125 16.212,1126 202.91,1127 65.525,1128 5.476,1129 6.473,1130 7.06,1131 5.354,1132 5.398,1133 7.516,1134 5.335,1135 19.828,1136 5.054,1137 22.747,1138 1.507,1139 1.516,1140 1.522,1141 1.495,1142 1.492,1143 1.96,1144 0.345,1145 4.317,1146 1.394,1147 4.13,1148 4.182,1149 4.103,1150 3.977,1151 8.513,1152 4,1153 3.976,1154 3.996,1155 3.951,1156 3.86,1157 7.999,1158 3.876,1159 3.88,1160 3.919,1161 3.823,1162 3.787,1163 7.999,1164 3.791,1165 3.863,1166 3.9,1167 3.804,1168 3.75,1169 7.431,1170 3.761,1171 3.522,1172 3.575,1173 3.471,1174 3.286,1175 5.115,1176 3.298,1177 3.473,1178 3.54,1179 3.363,1180 3.252,1181 4.9,1182 3.248,1183 3.432,1184 3.491,1185 3.29,1186 3.186,1187 4.872,1188 3.212,1189 3.347,1190 3.429,1191 3.257,1192 3.109,1193 4.743,1194 3.141,1195 0.098,1196 0.095,1197 0.154,1198 0.091,1199 0.072,1200 4.594,1201 0.096,1202 4.473,1203 0.081,1204 7.258,1205 0.262,1206 4.283,1207 0.065,1208 3.398,1209 4.516,1210 3.825,1211 12.305,1212 3.054,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.896,1220 1.882,1221 1.979,1222 2.032,1223 1.114,1224 2.008,1225 1.855,1226 1.817,1227 1.962,1228 1.979,1229 1.09,1230 1.981,1231 1.737,1232 1.691,1233 1.819,1234 1.904,1235 0.938,1236 1.888,1237 1.478,1238 1.411,1239 1.8,1240 1.733,1241 0.915,1242 1.753,1243 1.446,1244 1.37,1245 1.765,1246 1.689,1247 0.906,1248 1.713,1249 1.401,1250 1.341,1251 1.56,1252 1.613,1253 0.579,1254 1.603,1255 1.274,1256 1.228,1257 1.417,1258 1.589,1259 0.458,1260 1.532,1261 4.554,1263 5.883,1264 2.398,1265 7.401,1266 4.595,1267 9.01,1268 6.605,1269 10.671,1271 3.264,1273 41.194,1277 0.709,1278 8.463,1279 10.675,1283 -4.703,1289 46.766,1290 125.658,1291 286.487,1292 361.612,1293 392.367,1294 396.367,1295 402.367,1296 100.245,1297 8.82,1298 114.7,1299 114.7,1300 29,1301 13.003,1302 4.907,1303 4,1304 71.493,1305 247,1306 246,1307 0.139,1308 283.734,1309 495.88,1310 684.07,1311 106475,1312 4.2,1313 30.399,1314 0.707,1315 0.541,1316 27.899,1317 23.274,1318 20.745,1319 0.441,1320 0.285,1321 13.122,1322 19.593,1323 12.904,1324 10.668,1325 19.534,1326 13.406,1327 19.099,1328 0.289,1329 0.14,1330 17.103,1331 9.21,1332 14.965,1333 0.176,1334 0.073,1335 14.206,1336 6.235,1337 13.047,1338 0.114,1339 0.038,1340 12.289,1341 4.347,1342 10.526,1343 0.073,1344 0.02,1345 9.933,1346 2.874,1347 0.223,1348 132.321,1349 0.179,1350 38.294,1351 0.367,1352 226,1353 897.119,1354 266,1355 777.437,1356 1039.34,1357 726,1358 264,1359 751.658,1360 297.658,1361 734.995,1362 1097.33,1363 692,1364 6.676}
{0 CHEMBL1076138,1 1.634,2 16.146,3 5.627,4 31.662,5 157.575,6 8.647,7 0.739,8 4.3,9 4.409,10 3.998,11 3.885,12 5.492,13 3.886,14 4.768,15 4.904,16 4.36,17 4.255,18 5.973,19 4.238,20 5.011,21 5.191,22 4.382,23 4.349,24 6.13,25 4.303,26 5.013,27 5.211,28 4.345,29 4.284,30 6.118,31 4.245,32 5.01,33 5.206,34 4.384,35 4.312,36 6.194,37 4.28,38 5.03,39 5.212,40 4.442,41 4.392,42 6.209,43 4.348,44 5.093,45 5.296,46 4.423,47 4.423,48 6.226,49 4.359,50 5.066,51 5.266,52 4.372,53 4.381,54 6.196,55 4.304,56 0.082,57 0.979,58 9.722,59 5.004,60 9.434,61 5.796,62 0.312,63 1.544,64 17.595,65 8.184,66 25.609,67 9.726,68 0.533,69 1.851,70 29.909,71 11.348,72 48.685,73 13.524,74 0.462,75 1.841,76 30.981,77 11.24,78 46.077,79 13.638,80 0.741,81 1.87,82 31.172,83 10.659,84 66.34,85 12.702,86 0.488,87 1.905,88 29.097,89 11.39,90 56.071,91 13.844,92 0.517,93 2.004,94 33.525,95 12.757,96 58.216,97 16.081,98 0.592,99 1.888,100 34.71,101 12.76,102 58.514,103 15.647,104 5,105 63,106 0.253,107 0.555,108 0.735,109 0.864,110 0.889,111 0.889,112 3.741,113 0.858,114 -4.51,115 -4.44,116 -4.18,118 47.7,124 1,138 14,139 2,140 5,141 3,142 1,143 1,147 2,154 1,156 1,167 11,170 1,171 6,173 3,174 1,175 4,178 12,181 2,182 8,184 3,186 5,188 6,192 8,197 7,199 2,203 1,204 11,206 3,208 7,211 6,215 10,218 1,220 6,223 8,227 2,228 5,231 1,232 1,233 4,235 12,239 3,240 5,243 2,245 2,247 14,252 4,255 1,256 1,257 2,260 13,264 3610,265 28.325,266 28.325,267 28.325,268 28.325,269 28.325,270 24.101,271 27.738,272 17.082,273 29.013,274 22.823,275 22.823,276 22.823,277 22.823,278 22.823,279 16.56,280 41.638,281 8.251,282 24.014,283 4.389,284 2.435,285 1.274,286 0.442,287 0.277,288 0.277,289 4.459,290 1,294 1,295 1471,296 3.674,299 102.521,300 652.591,303 178.592,307 2.394,308 32.995,311 0.75,312 0.5,313 0.83,314 0.3,316 0.83,317 1,318 0.6,319 87.833,320 662,321 4.574,322 3.575,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.298,331 3.2,332 6.217,333 3.895,334 2.95,335 3.929,336 0.86,337 9.372,338 2.777,339 4.171,340 3.17,341 6.11,342 3.755,343 2.785,344 3.803,345 0.657,346 8.964,347 2.688,348 3.898,349 2.865,350 5.457,351 3.507,352 2.522,353 3.446,354 0.247,355 7.282,356 2.484,357 3.876,358 2.805,359 5.367,360 3.455,361 2.499,362 3.427,364 7.012,365 2.381,366 3.762,367 2.724,368 5.337,369 3.375,370 2.418,371 3.129,373 6.949,374 2.31,375 3.505,376 2.483,377 5.191,378 3.042,379 2.121,380 2.86,382 6.259,383 1.976,384 3.466,385 2.328,386 4.939,387 3.003,388 2.081,389 2.804,391 5.783,392 1.917,393 3.372,394 2.185,395 4.839,396 2.907,397 1.964,398 2.631,400 5.464,401 1.721,402 2.955,403 1.771,404 4.4,405 2.498,406 1.534,407 2.144,409 4.203,410 1.471,411 2.92,412 1.599,413 4.191,414 2.431,415 1.498,416 2.09,417 3.738,418 1.394,419 2.896,420 1.531,421 3.784,422 2.408,423 1.435,424 2.052,425 3.186,426 1.388,427 2.776,428 1.461,429 3.59,430 2.305,431 1.32,432 1.885,433 3.004,434 1.294,435 2.658,436 1.201,437 3.587,438 2.151,439 1.175,440 1.73,441 2.676,442 1.145,443 2.5,444 1.006,445 3.47,446 2,447 1,448 1.5,449 2.381,450 1,451 19.681,452 0.48,453 0.828,454 0.02,455 63.25,456 1.543,457 35.5,458 0.866,459 27.75,460 0.677,461 29.95,462 0.73,463 40.919,464 0.63,465 52.409,466 1.278,467 12.744,468 0.311,469 7.358,470 0.179,471 0.053,473 0.3,478 0.84,479 1.262,480 0.61,481 0.911,482 0.651,483 0.804,484 0.799,485 1.142,486 0.759,487 0.996,488 0.612,489 0.956,490 1.175,491 1.02,492 1.032,493 1.025,494 1.059,495 1.022,496 1.234,497 1.218,498 0.909,499 1.037,500 0.97,501 0.986,502 1.16,503 0.902,504 0.91,505 0.824,506 1.339,507 0.853,508 0.955,509 1.111,510 0.852,511 1.025,512 1.127,513 1.002,514 0.919,515 0.956,516 0.914,517 0.942,518 0.991,519 0.959,520 1.112,521 0.878,522 1.119,523 0.984,524 1.293,525 1.024,526 7.5,527 0.176,528 3.333,529 1.938,530 2.182,531 1.069,532 0.909,533 0.616,534 0.457,535 0.294,536 31969,537 90944,538 2.177,539 36.9,541 16,542 2,543 3,544 3,549 1.806,550 2.103,551 3.952,552 0.74,558 106.183,559 1.634,560 3.587,561 4.748,562 5.58,563 5.745,564 5.745,565 3.391,566 4.919,567 5.329,568 4.135,569 3390.51,570 9.413,571 61757.1,576 391.454,577 1.128,578 5.316,579 0.163,580 0.004,581 0.053,582 0.031,583 0.037,584 0.017,585 0.014,586 0.01,587 0.008,588 0.006,589 0.343,590 0.17,591 0.75,592 0.343,593 235.709,594 -0.083,595 -0.162,596 0.026,597 -0.037,598 -0.089,599 0.012,600 0.092,601 -0.054,602 -0.03,603 -0.107,604 0.073,605 -0.112,606 -0.058,607 -0.004,608 -0.104,609 -0.074,610 -0.107,611 -0.092,612 -0.114,613 -0.208,614 0.005,615 -0.085,616 -0.016,617 -0.033,618 0.02,619 0.149,620 -0.006,621 0.106,622 -0.002,623 0.068,624 -0.003,625 -0.087,626 0.003,627 -0.081,628 0.026,629 -0.066,630 -0.001,631 0.046,632 0.022,633 0.03,634 0.055,635 0.022,636 -0.046,637 0.096,638 -0.06,639 0.014,640 -0.08,641 -0.036,642 2.111,643 5.996,644 0.805,645 54.199,646 1.01,647 1.117,648 3.281,649 10.764,650 0.718,651 3.85,652 4.159,653 4.419,654 4.7,655 4.934,656 4.997,657 5.165,658 5.313,659 5.407,660 5.513,661 9.309,662 0.695,663 562.07,664 3.85,665 5.389,666 6.232,667 7.102,668 7.961,669 8.837,670 9.703,671 10.582,672 11.453,673 12.334,674 10.8,679 1,681 2,682 1,684 3,689 1,690 19,691 3,695 9,697 34,709 1,714 1,715 1,716 65,718 35,719 3,720 46,722 70,723 31,724 29,725 6,726 12,728 6,729 7,730 1,731 1,740 30,741 1,744 1,749 1,753 1,760 24,761 8,762 3,763 10,764 1,766 1,769 7,775 0.833,776 2,784 1,787 1,793 1,794 5,797 1,819 5,824 1,827 41,833 1,834 3,835 1,849 1,850 3.1,853 1,855 1,858 19.5,859 11.61,860 8.944,861 3.638,863 6.281,864 1.702,865 1.038,866 7.984,867 15.228,868 4.174,869 4.798,870 5.383,871 5.991,872 6.533,873 6.776,874 7.232,875 7.692,876 8.02,877 8.412,878 0.909,879 62,880 15.067,881 6.422,882 7.718,883 28.514,884 23.136,885 2.218,886 90.944,890 247.193,891 216.958,892 105.675,893 39.149,894 36.145,897 216.958,898 322.487,899 105.675,901 38.127,902 150.762,903 130.541,904 68.057,905 30.146,906 188.338,907 39.149,908 247.193,909 322.633,910 36.145,911 39.149,913 247.193,914 36.145,917 71.028,918 183.238,919 107.516,921 247.193,922 141.82,923 256.107,926 247.193,927 39.054,928 179.191,929 54.032,930 125.65,931 247.193,932 141.82,933 256.107,935 0.574,936 0.328,937 0.184,938 0.102,939 30,940 12,941 0.114,942 8,943 1,944 1.061,945 5.205,946 413.517,947 0.061,948 33,949 209.66,954 26.629,955 12.293,956 6.598,957 0.714,958 140.534,959 34.721,960 13.347,964 5.859,966 54.032,967 645.12,968 64,973 12.996,977 -0.444,980 65.643,981 72.588,983 0.271,984 0.596,985 0.788,986 0.927,987 0.954,988 0.954,989 5.387,990 2.081,991 6.192,992 6.259,993 4.844,994 5.487,995 2.097,996 6.963,997 4.744,998 6.591,999 1.964,1000 7.716,1001 5.783,1002 4.29,1003 5.165,1004 1.195,1005 7.735,1006 4.113,1007 7.886,1008 1.534,1009 9.337,1010 5.464,1011 6.395,1012 7.693,1013 2.538,1014 10.842,1015 6.198,1016 9.215,1017 1.498,1018 11.017,1019 4.203,1020 6.673,1021 8.214,1022 2.324,1023 12.467,1024 6.398,1025 10.574,1026 1.435,1027 12.736,1028 3.738,1029 8.209,1030 10.178,1031 3.281,1032 15.063,1033 7.913,1034 11.956,1035 1.32,1036 14.482,1037 3.186,1038 8.893,1039 11.133,1040 3.407,1041 17.061,1042 8.52,1043 13.356,1044 1.175,1045 16.249,1046 3.004,1047 10.18,1048 12.836,1049 4.166,1050 19.475,1051 9.779,1052 3.133,1053 1,1054 18.031,1055 2.676,1056 11.074,1057 14.033,1058 4.464,1059 21.646,1060 10.598,1061 2.95,1062 10.48,1063 19.826,1064 2.381,1065 12.251,1066 15.612,1067 5.114,1068 23.995,1069 11.738,1070 2.785,1071 9.372,1072 21.631,1073 4.516,1074 13.251,1075 16.943,1076 5.504,1077 26.246,1078 12.666,1079 2.522,1080 8.964,1081 23.445,1082 3.929,1083 14.383,1084 18.466,1085 6.092,1086 28.574,1087 13.753,1088 2.499,1089 7.282,1090 25.266,1091 3.803,1092 15.439,1093 19.871,1094 6.531,1095 30.863,1096 14.74,1097 2.418,1098 7.012,1099 27.094,1100 3.446,1101 16.555,1102 21.371,1103 7.084,1104 33.187,1105 15.804,1106 2.121,1107 6.949,1108 28.926,1109 3.427,1110 17.64,1111 22.818,1112 7.551,1113 35.496,1114 16.822,1115 29232,1116 49534,1117 31.898,1118 46.659,1119 68.846,1120 69.733,1121 68.741,1122 68.367,1123 68.233,1124 94.204,1125 6.841,1126 190.435,1127 64.734,1128 5.458,1129 5.575,1130 6.375,1131 5.148,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 12.472,1138 1.497,1139 1.516,1140 1.494,1141 1.486,1142 1.483,1143 2.048,1144 0.149,1145 4.14,1146 1.407,1147 4.13,1148 4.181,1149 4.105,1150 3.978,1151 7.431,1152 4,1153 3.965,1154 3.987,1155 4.016,1156 3.87,1157 5.117,1158 3.876,1159 3.882,1160 3.92,1161 3.826,1162 3.788,1163 4.996,1164 3.793,1165 3.864,1166 3.903,1167 3.809,1168 3.767,1169 4.895,1170 3.763,1171 3.821,1172 3.85,1173 3.796,1174 3.75,1175 4.81,1176 3.756,1177 3.436,1178 3.481,1179 3.474,1180 3.189,1181 4.744,1182 3.227,1183 3.343,1184 3.423,1185 3.292,1186 3.105,1187 4.45,1188 3.136,1189 3.191,1190 3.253,1191 3.236,1192 3.017,1193 4.434,1194 3.029,1195 0.099,1196 0.078,1197 0.143,1198 0.089,1199 0.068,1200 4.574,1201 0.098,1202 3.575,1203 0.036,1204 6.573,1205 0.228,1206 4.073,1207 0.064,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.908,1220 1.89,1221 2.009,1222 2.02,1223 1.091,1224 2.014,1225 1.856,1226 1.818,1227 1.978,1228 1.98,1229 1.077,1230 1.983,1231 1.825,1232 1.799,1233 1.919,1234 1.925,1235 1.016,1236 1.926,1237 1.736,1238 1.691,1239 1.818,1240 1.886,1241 0.907,1242 1.882,1243 1.401,1244 1.341,1245 1.56,1246 1.613,1247 0.579,1248 1.603,1249 1.27,1250 1.225,1251 1.419,1252 1.569,1253 0.458,1254 1.525,1255 1.155,1256 1.072,1257 1.389,1258 1.423,1259 0.347,1260 1.423,1261 4.533,1263 5.844,1264 2.398,1265 7.343,1266 4.595,1267 8.929,1268 6.605,1269 10.561,1272 6.207,1277 0.572,1278 9.104,1279 5.954,1289 45.148,1290 106.183,1291 233.176,1292 308.641,1293 362.699,1294 373.454,1295 373.454,1296 60.676,1297 8.947,1298 105.47,1299 105.47,1300 35,1301 12.872,1302 5.17,1303 4.248,1304 59.499,1305 232,1306 224,1307 0.122,1308 277.892,1309 470.21,1310 669.817,1311 132774,1312 1.5,1313 28.02,1314 0.683,1315 0.547,1316 28.52,1317 22.416,1318 20.102,1319 0.437,1320 0.286,1321 12.641,1322 19.113,1323 12.392,1324 10.272,1325 20.391,1326 13.158,1327 17.975,1328 0.285,1329 0.151,1330 18.383,1331 9.494,1332 14.899,1333 0.182,1334 0.078,1335 15.161,1336 6.396,1337 12.838,1338 0.118,1339 0.04,1340 13.073,1341 4.393,1342 10.509,1343 0.076,1344 0.021,1345 10.76,1346 2.93,1347 0.196,1348 128.392,1349 0.177,1350 37.085,1351 0.32,1352 218,1353 643.254,1354 253.623,1355 661.018,1356 909.46,1357 620,1358 254,1359 665.885,1360 284.615,1361 683.634,1362 995.82,1363 645,1364 6.86}
{0 CHEMBL1079448,1 1.805,2 14.789,3 4.077,4 16.624,5 134.197,6 8.957,7 0.667,8 4.205,9 4.316,10 3.905,11 3.719,12 5.479,13 3.755,14 4.698,15 4.836,16 4.333,17 4.093,18 6.337,19 4.118,20 4.902,21 5.078,22 4.313,23 4.201,24 6.201,25 4.195,26 4.986,27 5.192,28 4.275,29 4.14,30 6.28,31 4.144,32 4.945,33 5.157,34 4.276,35 4.101,36 6.318,37 4.11,38 4.896,39 5.077,40 4.282,41 4.132,42 6.374,43 4.136,44 4.921,45 5.118,46 4.287,47 4.162,48 6.449,49 4.146,50 4.869,51 5.068,52 4.123,53 4.154,54 6.063,55 4.106,56 0.265,57 1.136,58 7.875,59 4.599,60 32.835,61 4.729,62 1.01,63 2.105,64 15.54,65 7.581,66 140.409,67 8.052,68 0.746,69 1.967,70 21.769,71 9.729,72 66.377,73 11.161,74 1.004,75 2.07,76 28.405,77 10.314,78 119.239,79 11.757,80 1.188,81 1.935,82 28.199,83 9.113,84 130.576,85 10.781,86 1.163,87 1.844,88 24.396,89 9.395,90 165.978,91 10.469,92 1.302,93 1.889,94 26.219,95 9.715,96 175.106,97 11.652,98 0.814,99 1.762,100 23.836,101 10.16,102 86.028,103 12.044,104 27,105 60,106 0.288,107 0.63,108 0.797,109 0.889,110 0.894,111 0.894,112 3.668,113 0.808,114 -3.85,115 -3.81,116 -3.61,118 44.8,124 1,130 1,138 9,139 3,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 9,170 1,171 3,173 3,174 1,175 5,178 7,181 2,182 4,184 2,185 1,186 8,188 3,192 7,197 7,204 11,206 3,207 1,208 6,215 9,218 1,220 3,223 3,227 2,228 1,231 1,232 1,233 3,235 10,239 3,240 1,243 2,245 2,247 12,252 2,255 1,256 1,257 2,260 7,264 2958,265 25.366,266 25.366,267 25.366,268 25.366,269 25.366,270 21.932,271 26.278,272 14.883,273 26.088,274 20.788,275 20.788,276 20.788,277 20.788,278 20.788,279 15.594,280 39.028,281 7.136,282 22.055,283 4.053,284 1.911,285 0.863,286 0.289,287 0.254,288 0.254,289 4.37,294 1,295 1221,296 4.243,299 95.396,300 487.401,303 166.484,307 2.38,308 58.665,311 0.75,312 0.67,313 0.83,314 0.3,316 0.83,317 1,318 0.63,319 86,320 562,321 4.574,322 4.461,323 7.119,324 4.195,325 3.328,326 4.516,327 3.825,328 11.704,329 2.957,330 4.483,331 3.57,332 6.573,333 4.073,334 3.133,335 3.996,336 1.656,337 10.48,338 2.941,339 4.178,340 3.171,341 6.112,342 3.78,343 2.825,344 3.804,345 0.657,346 8.973,347 2.699,348 4.063,349 2.94,350 6.053,351 3.702,352 2.751,353 3.446,354 0.247,355 8.716,356 2.55,357 3.898,358 2.802,359 5.437,360 3.506,361 2.521,362 3.353,364 7.196,365 2.483,366 3.746,367 2.723,368 5.367,369 3.379,370 2.416,371 3.119,373 7.012,374 2.312,375 3.485,376 2.33,377 5.191,378 3.011,379 2.086,380 2.852,382 6.259,383 1.957,384 3.414,385 2.185,386 4.832,387 2.982,388 2,389 2.668,391 5.484,392 1.917,393 2.945,394 1.951,395 4.592,396 2.49,397 1.575,398 2.132,400 4.626,401 1.441,402 2.92,403 1.686,404 4.387,405 2.453,406 1.498,407 2.09,409 4.158,410 1.394,411 2.906,412 1.599,413 4.104,414 2.431,415 1.494,416 2.02,417 3.581,418 1.387,419 2.802,420 1.531,421 3.784,422 2.338,423 1.355,424 1.909,425 3.186,426 1.325,427 2.658,428 1.201,429 3.59,430 2.151,431 1.175,432 1.73,433 2.676,434 1.145,435 2.5,436 1.006,437 3.47,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.324,452 0.456,453 1.086,454 0.029,455 55.5,456 1.461,457 29.5,458 0.776,459 26,460 0.684,461 27.813,462 0.732,463 40.276,464 0.694,465 49.329,466 1.298,467 11.369,468 0.299,469 6.889,470 0.181,471 0.088,472 0.029,473 0.312,476 3,478 0.709,479 1.075,480 0.64,481 0.964,482 0.646,483 0.821,484 0.49,485 0.85,486 0.725,487 0.975,488 0.413,489 0.948,490 0.71,491 0.94,492 0.917,493 1.104,494 0.637,495 1.098,496 1.081,497 1.131,498 1.055,499 1.093,500 0.99,501 1.062,502 0.9,503 0.757,504 0.966,505 0.799,506 0.877,507 0.858,508 0.85,509 0.916,510 0.972,511 0.962,512 0.818,513 0.992,514 0.615,515 0.669,516 0.911,517 0.838,518 0.585,519 0.944,520 0.69,521 0.733,522 1.029,523 1.01,524 0.68,525 1.117,526 9,527 0.234,528 4.222,529 2.25,530 2.191,531 1.354,532 0.891,533 0.493,534 0.465,535 0.307,536 24623,537 86929,538 2.091,539 34.5,541 11,542 2,543 3,544 4,549 1.787,550 1.957,551 3.832,552 1.527,558 104.707,559 1.805,560 3.947,561 4.995,562 5.569,563 5.604,564 5.604,565 3.281,566 4.807,567 5.22,568 4.045,569 2843.58,570 9.19,571 48687.3,576 339.763,577 1.514,578 5.174,579 0.214,580 0.006,581 0.07,582 0.038,583 0.04,584 0.025,585 0.016,586 0.009,587 0.009,588 0.007,589 0.434,590 0.17,591 0.75,592 0.661,593 213.226,594 -0.105,595 -0.132,596 0.003,597 -0.007,598 -0.12,599 0.033,600 0.334,601 0.206,602 0.035,603 -0.019,604 0.359,605 -0.086,606 -0.024,607 -0.104,608 -0.068,609 -0.151,610 -0.006,611 -0.14,612 -0.17,613 -0.21,614 -0.07,615 -0.132,616 -0.109,617 -0.075,618 -0.004,619 0.106,620 0.024,621 0.122,622 -0.003,623 0.104,624 0.044,625 -0.024,626 -0.048,627 -0.001,628 0.082,629 -0.036,630 0.222,631 0.214,632 0.031,633 0.122,634 0.244,635 0.036,636 -0.019,637 0.069,638 -0.12,639 -0.024,640 -0.062,641 -0.09,642 5.871,643 5.5,644 0.711,645 47.615,646 1.034,647 1.142,648 2.617,649 6.849,650 0.687,651 3.761,652 4.111,653 4.344,654 4.595,655 4.828,656 4.92,657 5.056,658 5.147,659 5.278,660 5.375,661 8.775,662 0.689,663 519.53,664 3.761,665 5.323,666 6.168,667 7.052,668 7.914,669 8.8,670 9.67,671 10.557,672 11.431,673 12.319,674 12.1,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,713 1,716 58,718 29,719 2,720 42,722 62,723 26,724 23,725 5,726 7,728 5,729 6,731 1,732 1,737 1,740 24,741 2,744 1,749 1,753 1,758 3,760 20,761 11,762 4,763 12,766 1,769 7,775 0.8,776 2,784 1,787 1,793 1,794 4,797 1,819 4,825 3,827 38,832 1,833 1,834 3,839 1,849 3,850 3.4,852 1,853 1,858 19.417,859 10.262,860 8.111,861 3.128,863 5.106,864 1.597,865 1.013,866 7.076,867 13.654,868 4.06,869 4.698,870 5.277,871 5.877,872 6.417,873 6.704,874 7.138,875 7.546,876 7.887,877 8.283,878 0.9,879 59,880 14.567,881 6.856,882 8.208,883 25.54,884 20.788,885 2.708,886 102.917,890 188.338,891 166.535,892 105.675,894 67.828,895 44.88,897 166.535,898 256.166,899 150.556,901 38.127,902 103.381,903 173.224,904 91.136,905 30.146,906 129.482,907 7.76,908 188.338,909 272.21,910 112.709,913 188.338,914 112.709,917 78.788,918 125.055,919 68.367,921 233.218,922 173.504,923 166.535,926 196.097,927 28.252,928 131.81,929 54.032,930 163.065,931 188.338,932 218.384,933 166.535,935 0.59,936 0.331,937 0.173,938 0.096,939 29,940 13,941 0.097,942 6,943 1,944 1.074,945 4.824,946 370.726,947 0.074,948 27,949 190.666,954 25.367,955 10.6,956 6.007,957 0.636,958 217.097,959 21.479,960 13.087,964 1.338,966 96.716,967 573.256,968 57,973 12.5,977 -0.825,980 59.974,981 66.248,983 0.308,984 0.674,985 0.853,986 0.951,987 0.957,988 0.957,989 5.303,990 2,991 6.18,992 6.259,993 4.796,994 5.387,995 3.277,996 7.006,997 4.681,998 6.536,999 1.575,1000 7.753,1001 5.484,1002 4.511,1003 5.223,1004 3.949,1005 8.067,1006 4.26,1007 7.857,1008 1.498,1009 9.433,1010 4.626,1011 6.444,1012 7.618,1013 5.466,1014 11.089,1015 6.197,1016 9.214,1017 1.494,1018 11.179,1019 4.158,1020 6.957,1021 8.25,1022 6.701,1023 12.966,1024 6.556,1025 10.599,1026 1.355,1027 12.968,1028 3.581,1029 8.399,1030 10.135,1031 8.066,1032 15.561,1033 7.984,1034 12.007,1035 1.175,1036 14.787,1037 3.186,1038 9.266,1039 11.162,1040 9.391,1041 17.761,1042 8.701,1043 13.43,1044 1,1045 16.629,1046 2.676,1047 10.524,1048 12.822,1049 10.736,1050 20.229,1051 9.916,1052 3.328,1053 1,1054 18.489,1055 2.381,1056 11.553,1057 14.06,1058 12.075,1059 22.563,1060 10.808,1061 3.133,1062 11.704,1063 20.362,1064 2.2,1065 12.744,1066 15.617,1067 13.417,1068 24.997,1069 11.931,1070 2.825,1071 10.48,1072 22.248,1073 4.516,1074 13.848,1075 16.971,1076 14.758,1077 27.388,1078 12.908,1079 2.751,1080 8.973,1081 24.142,1082 3.996,1083 15.019,1084 18.482,1085 16.1,1086 29.818,1087 13.993,1088 2.521,1089 8.716,1090 26.046,1091 3.804,1092 16.159,1093 19.899,1094 17.441,1095 32.235,1096 15.013,1097 2.416,1098 7.196,1099 27.955,1100 3.446,1101 17.327,1102 21.393,1103 18.783,1104 34.668,1105 16.084,1106 2.086,1107 7.012,1108 29.871,1109 3.353,1110 18.486,1111 22.844,1112 20.124,1113 37.099,1114 17.127,1115 23107,1116 43730,1117 28.027,1118 39.853,1119 64.148,1120 64.092,1121 63.802,1122 63.516,1123 63.332,1124 85.149,1125 12.772,1126 184.68,1127 59.681,1128 5.45,1129 6.461,1130 6.921,1131 5.266,1132 5.328,1133 7.516,1134 5.335,1135 18.7,1136 4.957,1137 19.249,1138 1.527,1139 1.526,1140 1.519,1141 1.512,1142 1.508,1143 2.027,1144 0.304,1145 4.397,1146 1.421,1147 4.129,1148 4.181,1149 4.101,1150 3.975,1151 8.513,1152 3.998,1153 3.956,1154 3.984,1155 3.924,1156 3.852,1157 7.999,1158 3.863,1159 3.879,1160 3.919,1161 3.821,1162 3.787,1163 7.999,1164 3.791,1165 3.862,1166 3.899,1167 3.803,1168 3.75,1169 7.431,1170 3.761,1171 3.47,1172 3.515,1173 3.455,1174 3.197,1175 6.469,1176 3.244,1177 3.351,1178 3.431,1179 3.308,1180 3.119,1181 5.114,1182 3.151,1183 3.296,1184 3.336,1185 3.245,1186 3.03,1187 4.896,1188 3.06,1189 3.186,1190 3.246,1191 3.095,1192 2.969,1193 4.747,1194 3.009,1195 0.109,1196 0.106,1197 0.169,1198 0.1,1199 0.079,1200 4.574,1201 0.108,1202 4.461,1203 0.091,1204 7.119,1205 0.279,1206 4.195,1207 0.07,1208 3.328,1209 4.516,1210 3.825,1211 11.704,1212 2.957,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.895,1220 1.874,1221 1.98,1222 2.019,1223 1.092,1224 2.003,1225 1.855,1226 1.817,1227 1.971,1228 1.977,1229 1.085,1230 1.979,1231 1.737,1232 1.691,1233 1.819,1234 1.902,1235 0.907,1236 1.887,1237 1.401,1238 1.341,1239 1.56,1240 1.614,1241 0.579,1242 1.603,1243 1.287,1244 1.243,1245 1.421,1246 1.603,1247 0.458,1248 1.544,1249 1.156,1250 1.075,1251 1.395,1252 1.429,1253 0.357,1254 1.424,1255 1.071,1256 1.043,1257 1.181,1258 1.418,1259 0.248,1260 1.324,1261 4.443,1263 5.784,1264 2.398,1265 7.306,1266 4.595,1267 8.91,1268 6.605,1269 10.558,1273 39.003,1276 9.885,1277 0.506,1278 8.108,1283 -4.621,1289 39.944,1290 104.707,1291 228.911,1292 289.724,1293 323.008,1294 325.008,1295 325.008,1296 84.406,1297 8.548,1298 116.47,1299 116.47,1300 29,1301 12.852,1302 4.907,1303 4,1304 59.194,1305 201,1306 195,1307 0.14,1308 241.368,1309 417.89,1310 580.698,1311 76634,1312 5.2,1313 26.7,1314 0.703,1315 0.515,1316 24.2,1317 19.568,1318 18.258,1319 0.435,1320 0.269,1321 11.081,1322 17.335,1323 10.959,1324 9.032,1325 17.047,1326 11.313,1327 17.41,1328 0.29,1329 0.137,1330 15.453,1331 8.232,1332 13.723,1333 0.181,1334 0.073,1335 12.76,1336 5.572,1337 11.357,1338 0.116,1339 0.038,1340 10.805,1341 3.729,1342 9.233,1343 0.074,1344 0.02,1345 8.824,1346 2.454,1347 0.225,1348 116.162,1349 0.189,1350 34.792,1351 0.371,1352 204,1353 817.798,1354 239.017,1355 714.004,1356 946.71,1357 662,1358 238,1359 680.779,1360 267.007,1361 670.049,1362 995.91,1363 629,1364 7.432}
{0 CHEMBL1079452,1 1.705,2 14.73,3 4.471,4 19.992,5 133.874,6 8.664,7 0.683,8 4.187,9 4.3,10 3.872,11 3.743,12 5.412,13 3.759,14 4.701,15 4.847,16 4.291,17 4.118,18 6.289,19 4.123,20 4.901,21 5.085,22 4.252,23 4.227,24 6.13,25 4.195,26 4.979,27 5.198,28 4.225,29 4.169,30 6.211,31 4.144,32 4.926,33 5.136,34 4.198,35 4.131,36 6.176,37 4.117,38 4.914,39 5.121,40 4.175,41 4.155,42 6.152,43 4.131,44 4.888,45 5.085,46 4.243,47 4.171,48 6.374,49 4.135,50 4.861,51 5.073,52 4.072,53 4.162,54 5.992,55 4.095,56 0.158,57 1.109,58 8.304,59 4.824,60 22.084,61 5.309,62 0.905,63 2.102,64 17.211,65 7.995,66 135.996,67 8.899,68 0.564,69 1.967,70 23.256,71 10.329,72 50.999,73 12.28,74 0.747,75 2.092,76 29.786,77 11.147,78 87.997,79 13.42,80 0.793,81 1.946,82 27.704,83 9.868,84 92.332,85 11.406,86 0.82,87 1.945,88 27.678,89 10.419,90 111.755,91 11.813,92 1.085,93 1.831,94 25.444,95 9.698,96 148.27,97 12.255,98 0.636,99 1.768,100 25.054,101 10.432,102 65.472,103 12.972,104 18,105 58,106 0.272,107 0.597,108 0.779,109 0.878,110 0.889,111 0.889,112 3.642,113 0.833,114 -5.13,115 -5.02,116 -4.7,118 46.6,120 1,124 1,130 1,138 10,139 4,140 1,141 3,142 1,143 1,147 2,153 1,156 1,167 13,170 1,171 4,173 2,175 4,178 13,181 2,182 5,184 2,186 5,188 7,192 8,197 4,199 3,204 11,206 2,208 4,211 4,215 9,218 1,220 2,223 8,227 2,228 2,232 1,233 1,235 13,239 3,240 3,243 1,247 13,252 4,255 1,257 2,260 7,264 2817,265 24.866,266 24.866,267 24.866,268 24.866,269 24.866,270 21.485,271 24.583,272 14.724,273 25.49,274 20.327,275 20.327,276 20.327,277 20.327,278 20.327,279 15.209,280 36.201,281 7.075,282 21.414,283 4.153,284 2.118,285 0.978,286 0.358,287 0.289,288 0.289,289 4.347,294 1,295 1188,296 4.183,299 92.544,300 473.855,303 161.662,307 2.386,308 51.49,311 0.75,312 0.83,313 0.83,314 0.5,316 0.83,317 1,318 0.68,319 82.5,320 545,321 4.574,322 4.461,323 7.116,324 4.182,325 3.32,326 4.516,327 3.825,328 11.69,329 2.957,330 4.453,331 3.628,332 6.573,333 4.073,334 3.133,335 3.87,336 1.987,337 10.48,338 2.913,339 4.176,340 3.171,341 6.11,342 3.771,343 2.798,344 3.803,345 0.657,346 8.968,347 2.704,348 3.899,349 2.811,350 5.568,351 3.585,352 2.6,353 3.446,354 0.324,355 7.629,356 2.53,357 3.892,358 2.728,359 5.367,360 3.505,361 2.52,362 3.189,364 7.012,365 2.481,366 3.686,367 2.644,368 5.335,369 3.301,370 2.337,371 3.063,373 6.942,374 2.237,375 3.479,376 2.328,377 5.191,378 3.007,379 2.084,380 2.849,382 6.259,383 1.924,384 3.376,385 2.185,386 4.76,387 2.942,388 1.945,389 2.616,391 5.307,392 1.914,393 2.945,394 1.886,395 4.458,396 2.484,397 1.529,398 2.129,400 4.329,401 1.444,402 2.92,403 1.599,404 4.328,405 2.431,406 1.498,407 2.09,409 3.982,410 1.394,411 2.858,412 1.531,413 3.785,414 2.389,415 1.416,416 1.972,417 3.186,418 1.362,419 2.659,420 1.201,421 3.59,422 2.152,423 1.177,424 1.731,425 2.68,426 1.145,427 2.57,428 1.197,429 3.489,430 2.092,431 1.111,432 1.6,433 2.534,434 1.078,435 2.5,436 1.006,437 3.469,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.09,452 0.462,453 0.997,454 0.027,455 53.25,456 1.439,457 28.5,458 0.77,459 24.75,460 0.669,461 27.58,462 0.745,463 38.71,464 0.667,465 45.675,466 1.234,467 10.885,468 0.294,469 6.963,470 0.188,471 0.07,472 0.029,473 0.287,476 3,478 0.612,479 1.046,480 0.631,481 0.985,482 0.572,483 0.856,484 0.485,485 0.834,486 0.759,487 0.968,488 0.402,489 0.955,490 0.688,491 0.903,492 0.947,493 1.094,494 0.64,495 1.108,496 0.99,497 1.074,498 0.987,499 1.059,500 0.908,501 1.024,502 1.055,503 0.885,504 1.039,505 0.894,506 0.986,507 0.927,508 1.142,509 0.927,510 1.094,511 0.919,512 1.132,513 0.961,514 0.436,515 0.634,516 0.854,517 0.868,518 0.4,519 0.965,520 0.632,521 0.729,522 0.999,523 0.984,524 0.618,525 1.08,526 8.5,527 0.234,528 3.556,529 2.188,530 1.858,531 1.187,532 0.809,533 0.462,534 0.444,535 0.252,536 23292,537 77906,538 2.11,539 36.2,541 12,542 2,543 3,544 2,545 2,549 1.78,550 1.991,551 3.828,552 0.189,558 98.878,559 1.705,560 3.74,561 4.88,562 5.5,563 5.569,564 5.569,565 3.287,566 4.757,567 5.18,568 4.039,569 2690.18,570 9.109,571 45354.2,576 339.763,577 1.444,578 5.144,579 0.207,580 0.006,581 0.061,582 0.039,583 0.035,584 0.023,585 0.016,586 0.009,587 0.009,588 0.006,589 0.411,590 0.17,591 0.75,592 0.629,593 206.273,594 -0.053,595 -0.121,596 0.027,597 -0.036,598 -0.087,599 0.01,600 0.353,601 0.196,602 0.032,603 -0.019,604 0.38,605 -0.079,606 -0.023,607 -0.085,608 -0.089,609 -0.143,610 -0.014,611 -0.146,612 -0.106,613 -0.163,614 0.004,615 -0.089,616 -0.051,617 -0.023,618 -0.156,619 -0.018,620 -0.07,621 0.04,622 -0.1,623 0.03,624 -0.184,625 0.022,626 -0.124,627 0.055,628 -0.169,629 0.013,630 0.312,631 0.173,632 0.058,633 0.073,634 0.32,635 0.002,637 0.062,638 -0.085,639 -0.008,640 -0.041,641 -0.058,642 5.712,643 5.57,644 0.73,645 47.173,646 1.025,647 1.137,648 3.895,649 15.173,650 0.692,651 3.738,652 4.078,653 4.304,654 4.564,655 4.779,656 4.852,657 5.037,658 5.13,659 5.252,660 5.352,661 8.719,662 0.685,663 502.54,664 3.738,665 5.293,666 6.133,667 7.015,668 7.871,669 8.754,670 9.619,671 10.503,672 11.374,673 12.259,674 10.3,679 1,681 1,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,716 58,718 29,719 2,720 41,722 62,723 27,724 23,725 4,726 8,728 5,729 6,732 1,737 1,738 1,740 24,741 3,744 1,749 1,753 1,758 3,760 21,761 9,762 2,763 10,766 1,769 6,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,807 1,819 4,825 3,827 37,833 2,834 2,839 1,849 3,850 1.7,853 1,858 18.583,859 10.395,860 7.917,861 3.252,863 5.064,864 1.597,865 1.03,866 6.894,867 13.548,868 4.043,869 4.67,870 5.246,871 5.853,872 6.382,873 6.657,874 7.129,875 7.538,876 7.874,877 8.275,878 0.9,879 56,880 14.114,881 6.528,882 8.101,883 25.248,884 20.657,885 2.601,886 96.25,890 223.651,891 179.403,892 87.665,894 25.145,895 44.88,897 179.403,898 248.796,899 132.545,901 22.651,902 112.857,903 135.246,904 91.565,905 25.87,906 164.795,907 7.76,908 223.651,909 267.068,910 70.025,913 223.651,914 70.025,917 63.311,918 135.389,919 68.367,921 268.531,922 112.809,923 179.403,926 231.41,927 31.644,928 141.286,929 36.022,930 120.382,931 223.651,932 157.69,933 179.403,935 0.586,936 0.327,937 0.175,938 0.095,939 28,940 12,941 0.113,942 7,943 1,944 1.074,945 4.796,946 355.438,947 0.074,948 27,949 183.995,954 24.485,955 10.418,956 5.963,957 0.67,958 156.403,959 24.474,960 13.158,964 3.037,966 36.022,967 560.744,968 56,973 12.57,977 -0.422,980 59.429,981 65.955,983 0.291,984 0.638,985 0.833,986 0.939,987 0.951,988 0.951,989 5.278,990 1.945,991 6.138,992 6.259,993 4.762,994 5.359,995 3.356,996 6.954,997 4.662,998 6.504,999 1.529,1000 7.701,1001 5.307,1002 4.443,1003 5.147,1004 3.979,1005 8.003,1006 4.208,1007 7.818,1008 1.498,1009 9.373,1010 4.329,1011 6.399,1012 7.577,1013 5.511,1014 11.024,1015 6.177,1016 9.168,1017 1.416,1018 11.113,1019 3.982,1020 6.889,1021 8.172,1022 6.718,1023 12.906,1024 6.509,1025 10.549,1026 1.177,1027 12.898,1028 3.186,1029 8.344,1030 10.081,1031 8.081,1032 15.499,1033 7.958,1034 11.951,1035 1.111,1036 14.715,1037 2.68,1038 9.199,1039 11.085,1040 9.397,1041 17.71,1042 8.656,1043 13.371,1044 1,1045 16.557,1046 2.534,1047 10.464,1048 12.76,1049 10.74,1050 20.18,1051 9.883,1052 3.32,1053 1,1054 18.418,1055 2.381,1056 11.488,1057 13.987,1058 12.077,1059 22.522,1060 10.761,1061 3.133,1062 11.69,1063 20.294,1064 2.2,1065 12.683,1066 15.552,1067 13.418,1068 24.959,1069 11.889,1070 2.798,1071 10.48,1072 22.182,1073 4.516,1074 13.787,1075 16.902,1076 14.759,1077 27.355,1078 12.858,1079 2.6,1080 8.968,1081 24.081,1082 3.87,1083 14.96,1084 18.419,1085 16.1,1086 29.788,1087 13.944,1088 2.52,1089 7.629,1090 25.988,1091 3.803,1092 16.101,1093 19.836,1094 17.441,1095 32.208,1096 14.958,1097 2.337,1098 7.012,1099 27.902,1100 3.446,1101 17.271,1102 21.335,1103 18.783,1104 34.643,1105 16.027,1106 2.084,1107 6.942,1108 29.822,1109 3.189,1110 18.431,1111 22.789,1112 20.125,1113 37.075,1114 17.066,1115 21791,1116 40113,1117 27.622,1118 40.154,1119 62.47,1120 62.267,1121 61.735,1122 61.713,1123 61.527,1124 83.118,1125 13.587,1126 177.513,1127 58.435,1128 5.446,1129 6.461,1130 6.918,1131 5.252,1132 5.32,1133 7.516,1134 5.335,1135 18.668,1136 4.957,1137 17.049,1138 1.524,1139 1.519,1140 1.506,1141 1.505,1142 1.501,1143 2.027,1144 0.331,1145 4.33,1146 1.425,1147 4.129,1148 4.181,1149 4.102,1150 3.979,1151 8.513,1152 4,1153 3.964,1154 3.993,1155 3.919,1156 3.881,1157 7.999,1158 3.883,1159 3.879,1160 3.919,1161 3.82,1162 3.787,1163 7.999,1164 3.791,1165 3.861,1166 3.899,1167 3.803,1168 3.75,1169 7.429,1170 3.761,1171 3.512,1172 3.546,1173 3.473,1174 3.305,1175 5.114,1176 3.332,1177 3.351,1178 3.432,1179 3.292,1180 3.144,1181 4.897,1182 3.163,1183 3.28,1184 3.33,1185 3.24,1186 3.034,1187 4.748,1188 3.054,1189 3.19,1190 3.25,1191 3.097,1192 2.974,1193 4.682,1194 3.012,1195 0.112,1196 0.109,1197 0.174,1198 0.102,1199 0.081,1200 4.574,1201 0.11,1202 4.461,1203 0.093,1204 7.116,1205 0.285,1206 4.182,1207 0.072,1208 3.32,1209 4.516,1210 3.825,1211 11.69,1212 2.957,1213 1.97,1214 1.939,1215 2.054,1216 2.107,1217 1.192,1218 2.087,1219 1.927,1220 1.902,1221 2.025,1222 2.026,1223 1.15,1224 2.026,1225 1.855,1226 1.817,1227 1.977,1228 1.978,1229 1.089,1230 1.981,1231 1.738,1232 1.692,1233 1.82,1234 1.902,1235 0.908,1236 1.888,1237 1.406,1238 1.37,1239 1.576,1240 1.636,1241 0.729,1242 1.609,1243 1.4,1244 1.34,1245 1.56,1246 1.613,1247 0.579,1248 1.602,1249 1.158,1250 1.077,1251 1.411,1252 1.425,1253 0.456,1254 1.425,1255 1.078,1256 1.037,1257 1.206,1258 1.406,1259 0.265,1260 1.322,1261 4.419,1263 5.753,1264 2.398,1265 7.268,1266 4.595,1267 8.864,1268 6.605,1269 10.505,1273 38.936,1277 0.351,1278 6.081,1283 -4.462,1289 39.734,1290 98.878,1291 216.921,1292 283.034,1293 319.008,1294 323.008,1295 323.008,1296 75.419,1297 8.484,1298 84.21,1299 84.21,1300 29,1301 12.794,1302 4.907,1303 4,1304 56.872,1305 193,1306 186,1307 0.139,1308 240.17,1309 415.4,1310 577.774,1311 71073,1312 5.2,1313 25.83,1314 0.698,1315 0.524,1316 23.33,1317 19.405,1318 17.847,1319 0.435,1320 0.278,1321 11.18,1322 17.052,1323 11.02,1324 9.087,1325 16.636,1326 11.379,1327 16.893,1328 0.291,1329 0.144,1330 14.935,1331 8.346,1332 13.174,1333 0.18,1334 0.077,1335 12.211,1336 5.644,1337 11.171,1338 0.118,1339 0.041,1340 10.653,1341 3.88,1342 8.931,1343 0.076,1344 0.022,1345 8.29,1346 2.548,1347 0.224,1348 112.712,1349 0.19,1350 34.129,1351 0.368,1352 198,1353 763.315,1354 228.694,1355 664.636,1356 883.18,1357 618,1358 230,1359 632.496,1360 254.96,1361 624.048,1362 927,1363 586,1364 5.62}
{0 CHEMBL1079482,1 1.705,2 14.703,3 4.443,4 19.743,5 134.16,6 8.664,7 0.683,8 4.187,9 4.3,10 3.872,11 3.743,12 5.411,13 3.759,14 4.702,15 4.85,16 4.289,17 4.119,18 6.29,19 4.125,20 4.895,21 5.078,22 4.269,23 4.23,24 6.13,25 4.198,26 4.989,27 5.203,28 4.213,29 4.163,30 6.232,31 4.141,32 4.916,33 5.134,34 4.193,35 4.13,36 6.137,37 4.112,38 4.92,39 5.126,40 4.187,41 4.161,42 6.223,43 4.132,44 4.875,45 5.075,46 4.178,47 4.184,48 6.067,49 4.147,50 4.875,51 5.069,52 4.187,53 4.169,54 6.323,55 4.119,56 0.158,57 1.109,58 8.304,59 4.824,60 22.105,61 5.309,62 0.92,63 2.102,64 17.377,65 7.919,66 135.607,67 8.771,68 0.499,69 1.965,70 22.905,71 10.578,72 41.756,73 12.819,74 0.841,75 2.096,76 30.045,77 10.853,78 107.138,79 12.576,80 0.717,81 1.944,82 27.621,83 9.954,84 78.735,85 11.945,86 0.999,87 1.96,88 27.993,89 10.292,90 118.812,91 11.868,92 0.667,93 1.806,94 25.022,95 10.079,96 75.697,97 12.157,98 0.907,99 1.769,100 24.765,101 10.476,102 137.998,103 13.007,104 18,105 58,106 0.272,107 0.58,108 0.746,109 0.861,110 0.889,111 0.889,112 3.642,113 0.833,114 -5.13,115 -5.02,116 -4.7,118 46.6,124 2,130 1,138 10,139 5,141 3,142 1,143 1,147 2,153 1,156 1,167 14,170 1,171 4,173 2,175 3,178 13,181 2,182 6,184 2,186 6,188 6,192 8,197 5,199 1,204 11,206 1,208 4,211 4,214 1,215 9,218 1,220 2,223 9,227 2,228 3,231 1,233 1,235 14,239 2,240 2,243 1,244 1,247 14,251 1,252 4,255 1,260 9,264 2830,265 24.919,266 24.919,267 24.919,268 24.919,269 24.919,270 21.6,271 21.912,272 14.699,273 25.544,274 20.288,275 20.288,276 20.288,277 20.288,278 20.288,279 15.214,280 31.121,281 7.022,282 21.363,283 4.153,284 2.221,285 1.185,286 0.461,287 0.289,288 0.289,289 4.347,294 1,295 1186,296 4.183,299 92.41,300 473.472,303 161.384,307 2.413,308 51.69,311 0.75,312 0.83,313 0.83,314 0.5,316 0.83,317 1,318 0.68,319 82.5,320 544,321 4.575,322 4.46,323 7.116,324 4.18,325 3.319,326 4.516,327 3.825,328 11.689,329 2.984,330 4.452,331 3.564,332 6.574,333 4.079,334 3.135,335 3.881,336 1.081,337 10.484,338 2.904,339 4.249,340 3.168,341 6.184,342 3.858,343 2.87,344 3.86,345 0.657,346 9.177,347 2.808,348 3.901,349 2.773,350 5.907,351 3.551,352 2.57,353 3.446,354 0.473,355 8.182,356 2.515,357 3.892,358 2.747,359 5.382,360 3.501,361 2.518,362 3.294,364 7.096,365 2.471,366 3.768,367 2.683,368 5.367,369 3.409,370 2.435,371 3.08,373 7.012,374 2.33,375 3.479,376 2.186,377 5.191,378 3.006,379 2.084,380 2.857,382 6.259,383 1.918,384 3.197,385 2.018,386 4.569,387 2.719,388 1.746,389 2.464,391 4.705,392 1.692,393 2.937,394 1.941,395 4.497,396 2.525,397 1.573,398 2.091,400 4.425,401 1.468,402 2.92,403 1.599,404 4.085,405 2.431,406 1.498,407 2.075,409 3.432,410 1.394,411 2.752,412 1.412,413 3.77,414 2.245,415 1.281,416 1.845,417 3.174,418 1.229,419 2.579,420 1.25,421 3.586,422 2.107,423 1.131,424 1.605,425 2.619,426 1.094,427 2.564,428 1.169,429 3.494,430 2.079,431 1.089,432 1.565,433 2.525,434 1.072,435 2.5,436 1.047,437 3.463,438 1.984,439 1,440 1.5,441 2.378,442 0.983,443 2.5,444 1.006,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.09,452 0.462,453 0.98,454 0.026,455 52.75,456 1.426,457 28,458 0.757,459 24.75,460 0.669,461 27.636,462 0.747,463 38.71,464 0.667,465 45.697,466 1.235,467 10.854,468 0.293,469 7.01,470 0.189,471 0.07,472 0.029,473 0.287,476 3,478 0.612,479 1.046,480 0.631,481 0.985,482 0.573,483 0.856,484 0.504,485 0.8,486 0.771,487 0.925,488 0.405,489 0.927,490 0.605,491 0.944,492 0.868,493 1.152,494 0.559,495 1.121,496 1.13,497 1.057,498 1.1,499 1.025,500 1.08,501 1.036,502 0.95,503 0.921,504 0.963,505 0.919,506 0.834,507 0.92,508 1.049,509 0.775,510 1.103,511 0.861,512 1.107,513 0.96,514 0.752,515 0.745,516 0.942,517 0.902,518 0.75,519 0.957,520 0.453,521 0.742,522 0.874,523 1.01,524 0.436,525 1.07,526 8,527 0.247,528 4.222,529 1.813,530 1.898,531 1.361,532 0.547,533 0.661,534 0.463,535 0.21,536 23232,537 77690,538 2.11,539 36.2,541 14,542 2,543 3,544 2,549 1.78,550 1.991,551 3.823,552 0.189,558 98.878,559 1.705,560 3.637,561 4.673,562 5.397,563 5.569,564 5.569,565 3.297,566 4.703,567 5.179,568 4.036,569 2688.06,570 9.109,571 45246.2,576 339.763,577 1.444,578 5.144,579 0.195,580 0.007,581 0.073,582 0.032,583 0.036,584 0.026,585 0.011,586 0.012,587 0.009,588 0.005,589 0.406,590 0.17,591 0.75,592 0.629,593 206.167,594 -0.053,595 -0.121,596 0.027,597 -0.036,598 -0.088,599 0.01,600 0.339,601 0.233,602 0.022,603 0.019,604 0.377,605 -0.055,606 0.028,607 -0.128,608 -0.014,609 -0.188,610 0.034,611 -0.144,612 -0.177,613 -0.142,614 -0.108,615 -0.07,616 -0.133,617 -0.062,618 -0.115,619 -0.055,620 0.006,621 0.024,622 -0.045,623 0.058,624 -0.065,625 0.178,626 -0.132,627 0.108,628 -0.109,629 0.005,630 -0.049,631 0.056,632 -0.038,633 0.057,634 -0.072,635 0.029,636 0.258,637 0.048,638 0.036,639 -0.035,640 0.282,641 -0.066,642 5.691,643 5.794,644 0.73,645 47.823,646 1.025,647 1.137,648 3.895,649 15.173,650 0.692,651 3.738,652 4.078,653 4.317,654 4.554,655 4.787,656 4.852,657 5.03,658 5.147,659 5.263,660 5.384,661 8.698,662 0.685,663 502.54,664 3.738,665 5.293,666 6.138,667 7.017,668 7.878,669 8.759,670 9.628,671 10.51,672 11.384,673 12.268,674 10.3,679 1,681 1,682 1,684 3,689 1,690 15,691 3,695 7,697 28,704 1,709 1,716 58,718 29,719 2,720 41,722 62,723 27,724 23,725 4,726 8,727 1,728 5,729 6,732 1,737 1,740 24,741 3,744 1,749 1,753 1,758 3,760 21,761 9,762 2,763 10,766 1,769 6,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,825 3,827 37,833 2,834 2,839 1,849 3,850 1.7,853 1,858 18.583,859 10.395,860 7.944,861 3.252,863 5.064,864 1.597,865 1.03,866 6.894,867 13.548,868 4.043,869 4.67,870 5.267,871 5.85,872 6.392,873 6.666,874 7.138,875 7.548,876 7.909,877 8.331,878 0.9,879 57,880 14.106,881 6.516,882 8.101,883 25.248,884 20.651,885 2.601,886 96.25,890 223.651,891 179.403,892 87.665,894 25.145,895 44.88,897 179.403,898 248.796,899 132.545,901 22.222,902 112.857,903 135.246,904 91.994,905 25.87,906 164.795,907 7.76,908 223.651,909 267.068,910 70.025,913 223.651,914 70.025,917 62.882,918 135.818,919 68.367,921 268.531,922 112.809,923 179.403,926 231.41,927 31.644,928 141.286,929 36.022,930 120.382,931 223.651,932 157.69,933 179.403,935 0.587,936 0.333,937 0.172,938 0.094,939 28,940 12,941 0.113,942 7,943 1,944 1.074,945 4.791,946 355.948,947 0.074,948 27,949 183.995,954 24.485,955 10.418,956 5.793,957 0.66,958 156.403,959 24.342,960 13.138,964 2.907,966 36.022,967 560.744,968 56,973 12.794,977 -0.404,980 59.429,981 65.955,983 0.291,984 0.621,985 0.798,986 0.921,987 0.951,988 0.951,989 5.278,990 1.746,991 6.142,992 6.259,993 4.762,994 5.359,995 3.198,996 6.963,997 4.664,998 6.504,999 1.573,1000 7.712,1001 4.705,1002 4.443,1003 5.147,1004 3.903,1005 8.032,1006 4.217,1007 7.82,1008 1.498,1009 9.392,1010 4.425,1011 6.405,1012 7.585,1013 5.434,1014 11.052,1015 6.193,1016 9.174,1017 1.281,1018 11.139,1019 3.432,1020 6.909,1021 8.195,1022 6.69,1023 12.945,1024 6.553,1025 10.558,1026 1.131,1027 12.932,1028 3.174,1029 8.362,1030 10.101,1031 8.059,1032 15.535,1033 7.998,1034 11.966,1035 1.089,1036 14.755,1037 2.619,1038 9.227,1039 11.117,1040 9.388,1041 17.745,1042 8.723,1043 13.391,1044 1,1045 16.601,1046 2.525,1047 10.49,1048 12.787,1049 10.734,1050 20.211,1051 9.947,1052 3.319,1053 1,1054 18.464,1055 2.378,1056 11.519,1057 14.02,1058 12.074,1059 22.549,1060 10.847,1061 3.135,1062 11.689,1063 20.341,1064 2.2,1065 12.712,1066 15.581,1067 13.416,1068 24.983,1069 11.976,1070 2.87,1071 10.484,1072 22.229,1073 4.516,1074 13.817,1075 16.932,1076 14.758,1077 27.375,1078 12.959,1079 2.57,1080 9.177,1081 24.126,1082 3.881,1083 14.989,1084 18.447,1085 16.1,1086 29.805,1087 14.048,1088 2.518,1089 8.182,1090 26.031,1091 3.86,1092 16.129,1093 19.863,1094 17.441,1095 32.222,1096 15.074,1097 2.435,1098 7.096,1099 27.943,1100 3.446,1101 17.298,1102 21.359,1103 18.783,1104 34.654,1105 16.148,1106 2.084,1107 7.012,1108 29.86,1109 3.294,1110 18.456,1111 22.812,1112 20.124,1113 37.085,1114 17.194,1115 21738,1116 40005,1117 27.622,1118 40.154,1119 62.806,1120 62.816,1121 61.979,1122 62.173,1123 61.945,1124 83.595,1125 12.072,1126 179.047,1127 58.871,1128 5.45,1129 6.46,1130 6.918,1131 5.251,1132 5.319,1133 7.516,1134 5.335,1135 18.661,1136 4.984,1137 17.021,1138 1.532,1139 1.532,1140 1.512,1141 1.516,1142 1.511,1143 2.039,1144 0.294,1145 4.367,1146 1.436,1147 4.13,1148 4.181,1149 4.103,1150 3.984,1151 8.513,1152 4.004,1153 3.961,1154 3.992,1155 3.915,1156 3.874,1157 7.999,1158 3.877,1159 3.885,1160 3.92,1161 3.835,1162 3.797,1163 7.999,1164 3.804,1165 3.866,1166 3.902,1167 3.805,1168 3.756,1169 7.429,1170 3.765,1171 3.478,1172 3.532,1173 3.435,1174 3.254,1175 5.113,1176 3.284,1177 3.352,1178 3.432,1179 3.307,1180 3.137,1181 4.897,1182 3.159,1183 3.288,1184 3.334,1185 3.23,1186 3.045,1187 4.72,1188 3.072,1189 3.18,1190 3.245,1191 3.08,1192 2.973,1193 4.686,1194 2.999,1195 0.112,1196 0.109,1197 0.174,1198 0.102,1199 0.081,1200 4.575,1201 0.11,1202 4.46,1203 0.093,1204 7.116,1205 0.285,1206 4.18,1207 0.073,1208 3.319,1209 4.516,1210 3.825,1211 11.689,1212 2.984,1213 1.976,1214 1.948,1215 2.056,1216 2.108,1217 1.185,1218 2.088,1219 1.922,1220 1.896,1221 2.024,1222 2.026,1223 1.153,1224 2.025,1225 1.857,1226 1.819,1227 1.978,1228 1.978,1229 1.091,1230 1.981,1231 1.745,1232 1.702,1233 1.822,1234 1.904,1235 0.913,1236 1.89,1237 1.401,1238 1.341,1239 1.561,1240 1.625,1241 0.704,1242 1.603,1243 1.361,1244 1.306,1245 1.557,1246 1.612,1247 0.579,1248 1.599,1249 1.159,1250 1.086,1251 1.411,1252 1.426,1253 0.456,1254 1.425,1255 1.091,1256 1.051,1257 1.207,1258 1.407,1259 0.272,1260 1.324,1261 4.419,1263 5.753,1264 2.398,1265 7.272,1266 4.595,1267 8.872,1268 6.605,1269 10.516,1273 38.914,1277 0.495,1278 5.998,1283 -4.441,1289 39.734,1290 98.878,1291 210.921,1292 271.034,1293 313.008,1294 323.008,1295 323.008,1296 75.465,1297 8.484,1298 84.21,1299 84.21,1300 29,1301 12.803,1302 4.907,1303 4,1304 56.863,1305 192,1306 186,1307 0.14,1308 240.17,1309 415.4,1310 577.774,1311 70948,1312 5.2,1313 25.83,1314 0.698,1315 0.524,1316 23.33,1317 19.405,1318 17.864,1319 0.436,1320 0.278,1321 11.176,1322 17.071,1323 11.02,1324 9.089,1325 16.653,1326 11.379,1327 16.765,1328 0.289,1329 0.143,1330 14.807,1331 8.304,1332 13.469,1333 0.182,1334 0.077,1335 12.507,1336 5.711,1337 10.956,1338 0.117,1339 0.041,1340 10.438,1341 3.838,1342 9.02,1343 0.076,1344 0.022,1345 8.391,1346 2.564,1347 0.225,1348 112.859,1349 0.19,1350 34.119,1351 0.37,1352 198,1353 763.315,1354 228.361,1355 664.367,1356 883.42,1357 618,1358 231,1359 631.932,1360 256.292,1361 624.038,1362 929.48,1363 586,1364 4.955}
{0 CHEMBL1079500,1 1.64,2 14.382,3 3.608,4 13.016,5 126.746,6 8.399,7 0.737,8 4.119,9 4.239,10 3.787,11 3.672,12 5.338,13 3.684,14 4.587,15 4.737,16 4.135,17 4.039,18 5.836,19 4.032,20 4.821,21 5.018,22 4.13,23 4.127,24 5.99,25 4.09,26 4.828,27 5.048,28 4.063,29 4.051,30 5.958,31 4.011,32 4.8,33 5.022,34 4.05,35 4.025,36 5.966,37 3.996,38 4.756,39 4.952,40 4.071,41 4.075,42 5.912,43 4.041,44 4.794,45 5,46 4.106,47 4.114,48 6.054,49 4.064,50 4.781,51 4.993,52 3.98,53 4.095,54 5.867,55 4.018,56 0.092,57 0.935,58 8.469,59 4.122,60 8.877,61 4.822,62 0.317,63 1.457,64 15.143,65 6.691,66 22.637,67 8.096,68 0.466,69 1.729,70 23.193,71 8.987,72 49.562,73 10.983,74 0.395,75 1.65,76 25.045,77 8.95,78 46.089,79 11.57,80 0.585,81 1.557,82 25.095,83 8.056,84 57.992,85 10.234,86 0.398,87 1.546,88 21.962,89 8.372,90 47.231,91 10.332,92 0.612,93 1.61,94 23.426,95 8.927,96 75.746,97 11.665,98 0.445,99 1.557,100 23.124,101 9.385,102 39.748,103 12.156,104 5,105 52,106 0.265,107 0.588,108 0.754,109 0.856,110 0.87,111 0.876,112 3.56,113 0.832,114 -4.18,115 -4.13,116 -3.9,118 46.3,124 1,138 10,139 2,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 8,170 1,171 3,173 3,174 1,175 5,178 7,181 2,182 4,184 2,186 6,188 4,192 8,197 6,204 11,206 2,208 6,215 8,218 1,220 2,223 5,227 2,228 1,231 1,232 1,233 1,235 12,239 3,240 1,243 2,247 11,252 3,255 1,256 1,257 1,260 5,264 2282,265 23.394,266 23.394,267 23.394,268 23.394,269 23.394,270 19.922,271 23.063,272 14.05,273 23.897,274 18.835,275 18.835,276 18.835,277 18.835,278 18.835,279 13.665,280 34.841,281 6.777,282 19.675,283 4.115,284 2.113,285 1.088,286 0.458,287 0.37,288 0.333,289 4.271,293 1,294 1,295 1079,296 3.391,299 83.008,300 428.299,303 145.376,307 2.228,308 31.987,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 74,320 489,321 4.574,322 3.563,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.178,331 3.171,332 6.11,333 3.771,334 2.801,335 3.806,336 0.657,337 8.968,338 2.702,339 4.04,340 2.917,341 5.574,342 3.634,343 2.667,344 3.628,345 0.247,346 7.634,347 2.571,348 3.898,349 2.805,350 5.367,351 3.506,352 2.521,353 3.446,355 7.013,356 2.483,357 3.762,358 2.724,359 5.351,360 3.38,361 2.418,362 3.132,364 6.97,365 2.319,366 3.524,367 2.408,368 5.191,369 3.099,370 2.15,371 2.868,373 6.259,374 2.033,375 3.467,376 2.312,377 4.962,378 3.005,379 2.081,380 2.811,382 5.888,383 1.918,384 3.243,385 2.185,386 4.624,387 2.79,388 1.81,389 2.469,391 4.933,392 1.75,393 2.925,394 1.599,395 4.35,396 2.431,397 1.498,398 2.099,400 4.057,401 1.401,402 2.917,403 1.531,404 3.785,405 2.418,406 1.448,407 2.087,409 3.186,410 1.394,411 2.659,412 1.201,413 3.59,414 2.152,415 1.178,416 1.733,417 2.68,418 1.146,419 2.5,420 1.006,421 3.471,422 2,423 1,424 1.5,425 2.381,426 1,427 2.5,428 1,429 3.429,430 1.984,431 1,432 1.5,433 2.275,434 0.983,435 2.5,436 1,437 3.414,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 15.919,452 0.468,453 0.708,454 0.021,455 52.25,456 1.537,457 29,458 0.853,459 23.25,460 0.684,461 22.297,462 0.656,463 34.481,464 0.639,465 40.973,466 1.205,467 10.638,468 0.313,469 5.998,470 0.176,471 0.039,473 0.308,477 1,478 0.745,479 1.195,480 0.679,481 0.964,482 0.565,483 0.83,484 0.685,485 1.083,486 0.842,487 1.025,488 0.566,489 0.976,490 1.033,491 1.026,492 1.064,493 1.043,494 0.999,495 1.056,496 0.993,497 1.142,498 0.994,499 1.093,500 0.843,501 1.044,502 1.074,503 0.723,504 1.009,505 0.776,506 0.978,507 0.841,508 1.018,509 0.958,510 1.003,511 0.974,512 0.989,513 0.979,514 0.576,515 0.764,516 0.901,517 0.909,518 0.478,519 0.956,520 0.666,521 0.802,522 1.041,523 1.042,524 0.687,525 1.107,526 6.5,527 0.155,528 2.889,529 1.563,530 1.64,531 0.889,532 0.687,533 0.392,534 0.37,535 0.204,536 18811,537 56341,538 2.163,539 37,541 12,542 2,543 3,544 3,549 1.76,550 2.082,551 3.782,552 0.84,554 1,558 88.577,559 1.64,560 3.642,561 4.667,562 5.296,563 5.385,564 5.422,565 3.268,566 4.676,567 5.055,568 3.95,569 2215.67,570 8.865,571 34831.7,573 1,576 310.764,577 1.166,578 5.043,579 0.171,580 0.005,581 0.056,582 0.031,583 0.036,584 0.019,585 0.014,586 0.008,587 0.009,588 0.006,589 0.354,590 0.33,591 0.88,592 0.39,593 184.294,594 -0.087,595 -0.169,596 0.034,597 -0.037,598 -0.066,599 0.014,600 0.086,601 -0.062,602 -0.051,603 -0.103,604 0.053,605 -0.111,606 -0.086,607 -0.024,608 -0.134,609 -0.087,610 -0.099,611 -0.116,612 -0.103,613 -0.215,614 -0.011,615 -0.135,616 -0.028,617 -0.066,618 -0.111,619 0.144,620 -0.017,621 0.147,622 -0.055,623 0.105,624 -0.139,625 -0.045,626 -0.079,627 -0.016,628 -0.112,629 -0.028,630 0.216,631 0.141,632 0.035,633 0.059,634 0.246,635 0.019,636 0.048,637 0.082,638 -0.104,639 -0.051,640 -0.045,641 -0.102,642 2.096,643 5.37,644 0.794,645 42.19,646 1.014,647 1.129,648 2.954,649 8.723,650 0.699,651 3.664,652 3.97,653 4.22,654 4.489,655 4.71,656 4.771,657 4.949,658 5.081,659 5.193,660 5.303,661 8.158,662 0.684,663 453.52,664 3.664,665 5.198,666 6.038,667 6.905,668 7.759,669 8.631,670 9.494,671 10.37,672 11.24,673 12.119,674 13,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,715 1,716 54,718 29,719 2,720 38,722 58,723 25,724 23,725 4,726 8,728 5,729 6,731 1,740 24,741 1,744 1,749 1,753 1,757 1,758 1,760 20,761 8,762 3,763 9,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,825 1,827 34,833 1,834 3,849 1,850 1.9,853 1,858 16.333,859 9.61,860 7.417,861 2.993,863 4.956,864 1.599,865 1.042,866 6.255,867 13.225,868 3.989,869 4.613,870 5.198,871 5.807,872 6.343,873 6.602,874 7.073,875 7.518,876 7.85,877 8.262,878 0.9,879 50,880 12.506,881 5.353,882 7.853,883 23.463,884 19.004,885 2.353,886 80,889 1,890 200.109,891 174.187,892 105.675,894 25.145,895 14.96,897 174.187,898 225.254,899 120.635,901 38.127,902 112.857,903 130.541,904 52.191,905 45.106,906 141.253,908 200.109,909 279.862,910 40.105,913 215.069,914 25.145,917 71.028,918 140.467,919 68.367,921 215.069,922 130.82,923 174.187,926 200.109,927 34.187,928 141.286,929 54.032,930 90.462,931 200.109,932 145.78,933 174.187,935 0.576,936 0.327,937 0.179,938 0.098,939 25,940 10,941 0.103,942 6,943 1,944 1.074,945 4.65,946 315.913,947 0.074,948 27,949 164.974,954 21.714,955 9.794,956 5.286,957 0.714,958 144.494,959 25.77,960 13.228,964 3.975,966 54.032,967 520.076,968 53,973 12.37,977 -0.429,980 54.738,981 60.944,983 0.285,984 0.633,985 0.811,986 0.92,987 0.936,988 0.942,989 5.198,990 1.81,991 5.999,992 5.888,993 4.654,994 5.301,995 1.897,996 6.763,997 4.568,998 6.404,999 1.498,1000 7.52,1001 4.933,1002 4.111,1003 4.997,1004 1.195,1005 7.526,1006 3.976,1007 7.699,1008 1.448,1009 9.137,1010 4.057,1011 6.201,1012 7.514,1013 2.448,1014 10.619,1015 6.029,1016 9.029,1017 1.178,1018 10.811,1019 3.186,1020 6.479,1021 8.053,1022 2.324,1023 12.236,1024 6.25,1025 10.388,1026 1,1027 12.524,1028 2.68,1029 8.005,1030 10.007,1031 3.25,1032 14.826,1033 7.744,1034 11.77,1035 1,1036 14.264,1037 2.381,1038 8.684,1039 10.981,1040 3.407,1041 16.827,1042 8.36,1043 13.17,1044 1,1045 16.025,1046 2.275,1047 9.967,1048 12.681,1049 4.157,1050 19.243,1051 9.607,1052 3.133,1053 0.879,1054 17.802,1055 2.2,1056 10.854,1057 13.895,1058 4.464,1059 21.423,1060 10.429,1061 2.801,1062 10.48,1063 19.594,1064 2.136,1065 12.029,1066 15.475,1067 5.112,1068 23.78,1069 11.562,1070 2.667,1071 8.968,1072 21.396,1073 4.516,1074 13.026,1075 16.823,1076 5.504,1077 26.043,1078 12.492,1079 2.521,1080 7.634,1081 23.208,1082 3.806,1083 14.158,1084 18.35,1085 6.091,1086 28.383,1087 13.575,1088 2.418,1089 7.013,1090 25.029,1091 3.628,1092 15.213,1093 19.769,1094 6.531,1095 30.686,1096 14.563,1097 2.15,1098 6.97,1099 26.857,1100 3.446,1101 16.33,1102 21.275,1103 7.083,1104 33.022,1105 15.626,1106 2.081,1107 6.259,1108 28.692,1109 3.132,1110 17.417,1111 22.733,1112 7.551,1113 35.345,1114 16.647,1115 17416,1116 30313,1117 26.235,1118 37.762,1119 56.72,1120 57.79,1121 56.984,1122 56.324,1123 56.344,1124 77.96,1125 5.121,1126 157.041,1127 53.926,1128 5.442,1129 5.563,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 11.446,1138 1.493,1139 1.521,1140 1.5,1141 1.482,1142 1.483,1143 2.052,1144 0.135,1145 4.133,1146 1.419,1147 4.128,1148 4.18,1149 4.101,1150 3.974,1151 8.201,1152 3.997,1153 3.927,1154 3.964,1155 3.879,1156 3.823,1157 7.431,1158 3.83,1159 3.877,1160 3.919,1161 3.815,1162 3.786,1163 5.114,1164 3.79,1165 3.856,1166 3.891,1167 3.799,1168 3.749,1169 4.897,1170 3.759,1171 3.439,1172 3.485,1173 3.397,1174 3.186,1175 4.75,1176 3.226,1177 3.343,1178 3.424,1179 3.258,1180 3.102,1181 4.659,1182 3.136,1183 3.192,1184 3.254,1185 3.1,1186 3.015,1187 4.437,1188 3.029,1189 2.936,1190 3.004,1191 2.865,1192 2.759,1193 4.113,1194 2.768,1195 0.12,1196 0.094,1197 0.173,1198 0.107,1199 0.082,1200 4.574,1201 0.119,1202 3.563,1203 0.044,1204 6.573,1205 0.276,1206 4.073,1207 0.078,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.878,1220 1.849,1221 1.983,1222 2.003,1223 1.09,1224 1.997,1225 1.855,1226 1.817,1227 1.974,1228 1.974,1229 1.046,1230 1.976,1231 1.737,1232 1.691,1233 1.819,1234 1.899,1235 0.907,1236 1.886,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.267,1244 1.221,1245 1.417,1246 1.576,1247 0.457,1248 1.525,1249 1.155,1250 1.071,1251 1.382,1252 1.423,1253 0.332,1254 1.423,1255 0.96,1256 0.914,1257 1.181,1258 1.135,1259 0.245,1260 1.124,1261 4.344,1263 5.652,1264 2.398,1265 7.148,1266 4.595,1267 8.728,1268 6.605,1269 10.354,1273 13.07,1277 0.576,1278 8.826,1289 36.935,1290 88.577,1291 196.677,1292 252.035,1293 286.009,1294 290.764,1295 292.764,1296 52.378,1297 8.27,1298 96.24,1299 96.24,1300 29,1301 12.658,1302 4.907,1303 4,1304 50.051,1305 164,1306 186,1307 0.144,1308 225.383,1309 379.66,1310 541.694,1311 53592,1312 1.9,1313 23.33,1314 0.686,1315 0.528,1316 22.46,1317 17.942,1318 16.636,1319 0.438,1320 0.277,1321 10.378,1322 15.956,1323 10.219,1324 8.473,1325 16.242,1326 10.544,1327 14.923,1328 0.287,1329 0.144,1330 14.301,1331 7.509,1332 12.302,1333 0.184,1334 0.076,1335 11.891,1336 5.102,1337 10.444,1338 0.119,1339 0.039,1340 10.302,1341 3.459,1342 8.451,1343 0.077,1344 0.021,1345 8.16,1346 2.271,1347 0.23,1348 104.468,1349 0.195,1350 31.88,1351 0.383,1352 180,1353 587.426,1354 199.727,1355 551.329,1356 753.76,1357 516,1358 209,1359 560.082,1360 228.226,1361 562.63,1362 817.04,1363 530,1364 5.131}
{0 CHEMBL1079501,1 1.64,2 14.382,3 4.067,4 16.538,5 131.334,6 8.703,7 0.737,8 4.115,9 4.233,10 3.818,11 3.695,12 5.307,13 3.695,14 4.583,15 4.73,16 4.178,17 4.071,18 5.79,19 4.048,20 4.815,21 5.007,22 4.177,23 4.167,24 5.93,25 4.108,26 4.824,27 5.039,28 4.091,29 4.079,30 5.921,31 4.023,32 4.798,33 5.019,34 4.077,35 4.035,36 5.941,37 4.002,38 4.753,39 4.946,40 4.096,41 4.097,42 5.884,43 4.051,44 4.79,45 4.994,46 4.16,47 4.13,48 5.963,49 4.075,50 4.778,51 4.987,52 4.008,53 4.116,54 5.837,55 4.028,56 0.073,57 0.853,58 8.045,59 4.011,60 8.172,61 4.751,62 0.294,63 1.334,64 14.706,65 6.586,66 22.677,67 8.069,68 0.401,69 1.573,70 24.695,71 9.137,72 40.007,73 11.3,74 0.322,75 1.558,76 26.476,77 9.258,78 38.05,79 11.861,80 0.522,81 1.524,82 25.102,83 8.257,84 53.482,85 10.093,86 0.346,87 1.466,88 22.379,89 8.481,90 40.455,91 10.4,92 0.501,93 1.521,94 24.088,95 8.986,96 53.269,97 11.527,98 0.403,99 1.485,100 23.609,101 9.429,102 34.826,103 12.254,104 5,105 52,106 0.265,107 0.588,108 0.754,109 0.856,110 0.87,111 0.876,112 3.56,113 0.862,114 -4.29,115 -4.22,116 -3.99,118 46.3,124 1,138 10,139 2,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 8,170 1,171 3,173 3,174 1,175 5,178 9,181 2,182 4,184 2,186 6,188 6,192 8,197 6,204 11,206 2,208 7,215 8,218 1,220 2,223 5,227 2,228 2,231 1,232 1,233 2,235 12,239 3,240 1,243 2,247 11,252 3,255 1,256 1,257 1,260 7,264 2282,265 23.394,266 23.394,267 23.394,268 23.394,269 23.394,270 19.922,271 23.036,272 14.05,273 23.971,274 18.835,275 18.835,276 18.835,277 18.835,278 18.835,279 13.665,280 34.82,281 6.777,282 19.826,283 4.115,284 2.113,285 1.088,286 0.458,287 0.37,288 0.333,289 4.271,290 1,294 1,295 1079,296 3.391,299 83.008,300 428.299,303 145.376,307 2.228,308 26.01,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 72.833,320 489,321 4.574,322 3.563,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.178,331 3.171,332 6.11,333 3.771,334 2.801,335 3.806,336 0.657,337 8.968,338 2.702,339 4.04,340 2.937,341 5.574,342 3.627,343 2.667,344 3.628,345 0.247,346 7.634,347 2.551,348 3.898,349 2.806,350 5.367,351 3.506,352 2.521,353 3.446,355 7.013,356 2.483,357 3.762,358 2.724,359 5.351,360 3.37,361 2.418,362 3.132,364 6.97,365 2.295,366 3.524,367 2.413,368 5.191,369 3.075,370 2.15,371 2.868,373 6.259,374 1.972,375 3.467,376 2.313,377 4.962,378 3.005,379 2.081,380 2.811,382 5.888,383 1.918,384 3.243,385 2.185,386 4.624,387 2.771,388 1.81,389 2.469,391 4.933,392 1.652,393 2.925,394 1.599,395 4.35,396 2.431,397 1.498,398 2.099,400 4.057,401 1.398,402 2.917,403 1.531,404 3.785,405 2.417,406 1.448,407 2.087,409 3.186,410 1.394,411 2.659,412 1.201,413 3.59,414 2.152,415 1.178,416 1.733,417 2.68,418 1.146,419 2.5,420 1.006,421 3.471,422 2,423 1,424 1.5,425 2.381,426 1,427 2.5,428 1,429 3.429,430 1.984,431 1,432 1.5,433 2.275,434 0.983,435 2.5,436 1,437 3.414,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.348,452 0.481,453 0.708,454 0.021,455 52.25,456 1.537,457 29,458 0.853,459 23.25,460 0.684,461 23.057,462 0.678,463 34.052,464 0.631,465 40.213,466 1.183,467 10.507,468 0.309,469 6.129,470 0.18,471 0.064,473 0.3,478 0.831,479 1.313,480 0.601,481 0.898,482 0.624,483 0.801,484 0.715,485 1.131,486 0.746,487 0.947,488 0.58,489 0.94,490 1.045,491 1.038,492 1.045,493 1.045,494 1.025,495 1.059,496 1.068,497 1.27,498 0.943,499 1.112,500 0.902,501 1.051,502 1.37,503 0.885,504 0.794,505 0.768,506 1.478,507 0.823,508 1.171,509 1.066,510 0.882,511 0.964,512 1.283,513 0.97,514 0.71,515 0.902,516 0.748,517 0.926,518 0.694,519 0.94,520 0.716,521 0.877,522 0.904,523 1.028,524 0.804,525 1.094,526 6.5,527 0.155,528 2.889,529 1.563,530 1.64,531 0.889,532 0.687,533 0.392,534 0.37,535 0.204,536 18811,537 56341,538 2.163,539 37,541 12,542 2,543 3,544 3,549 1.76,550 2.082,551 3.782,552 0.84,558 88.577,559 1.64,560 3.642,561 4.667,562 5.296,563 5.385,564 5.422,565 3.268,566 4.676,567 5.055,568 3.95,569 2215.67,570 8.865,571 34831.7,576 310.764,577 1.166,578 5.043,579 0.171,580 0.005,581 0.056,582 0.031,583 0.036,584 0.019,585 0.014,586 0.008,587 0.009,588 0.006,589 0.354,590 0.17,591 0.75,592 0.39,593 184.294,594 -0.101,595 -0.19,596 0.019,597 -0.03,598 -0.084,599 0.014,600 0.127,601 -0.023,602 -0.031,603 -0.066,604 0.079,605 -0.097,606 -0.076,607 -0.014,608 -0.132,609 -0.099,610 -0.116,611 -0.125,612 -0.104,613 -0.272,614 -0.041,615 -0.159,616 0.008,617 -0.08,618 -0.17,619 0.151,620 0.006,621 0.146,622 -0.109,623 0.107,624 -0.163,625 -0.052,626 -0.076,627 -0.025,628 -0.143,629 -0.034,630 0.186,631 0.107,632 0.066,633 0.023,634 0.194,635 0.02,636 0.073,637 0.104,638 -0.087,639 -0.057,640 -0.052,641 -0.103,642 2.016,643 5.431,644 0.794,645 42.19,646 1.01,647 1.121,648 3.055,649 9.335,650 0.716,651 3.664,652 3.97,653 4.22,654 4.489,655 4.71,656 4.771,657 4.949,658 5.081,659 5.193,660 5.303,661 8.158,662 0.692,663 469.97,664 3.664,665 5.198,666 6.038,667 6.905,668 7.759,669 8.631,670 9.494,671 10.37,672 11.24,673 12.119,674 13,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,715 1,716 54,718 29,719 2,720 38,722 58,723 25,724 23,725 4,726 8,728 5,729 6,730 1,731 1,740 24,741 1,744 1,749 1,753 1,760 20,761 7,762 3,763 9,764 1,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 1,827 34,833 1,834 3,849 1,850 1.9,853 1,858 16.333,859 9.61,860 7.417,861 2.993,863 4.956,864 1.599,865 1.038,866 6.495,867 13.225,868 3.989,869 4.613,870 5.198,871 5.807,872 6.343,873 6.602,874 7.073,875 7.518,876 7.85,877 8.262,878 0.9,879 50,880 12.471,881 5.291,882 7.739,883 23.602,884 19.112,885 2.239,886 76.111,890 200.109,891 168.566,892 105.675,893 39.149,894 25.145,897 168.566,898 264.402,899 105.675,901 38.127,902 112.857,903 130.541,904 46.571,905 30.146,906 141.253,907 39.149,908 200.109,909 274.242,910 25.145,911 39.149,913 200.109,914 25.145,917 71.028,918 134.846,919 107.516,921 200.109,922 130.82,923 207.715,926 200.109,927 28.567,928 141.286,929 54.032,930 114.65,931 200.109,932 130.82,933 207.715,935 0.576,936 0.327,937 0.179,938 0.098,939 25,940 10,941 0.103,942 6,943 1,944 1.074,945 4.65,946 315.913,947 0.074,948 27,949 164.974,954 22.047,955 10.017,956 5.429,957 0.731,958 129.534,959 27.358,960 13.275,964 5.243,966 54.032,967 538.644,968 53,973 12.431,977 -0.35,980 54.549,981 60.548,983 0.285,984 0.633,985 0.811,986 0.92,987 0.936,988 0.942,989 5.198,990 1.81,991 5.999,992 5.888,993 4.654,994 5.301,995 1.897,996 6.763,997 4.556,998 6.404,999 1.498,1000 7.52,1001 4.933,1002 4.111,1003 4.997,1004 1.195,1005 7.526,1006 3.942,1007 7.699,1008 1.448,1009 9.137,1010 4.057,1011 6.201,1012 7.514,1013 2.448,1014 10.619,1015 6.011,1016 9.029,1017 1.178,1018 10.811,1019 3.186,1020 6.479,1021 8.053,1022 2.324,1023 12.236,1024 6.22,1025 10.388,1026 1,1027 12.524,1028 2.68,1029 8.005,1030 10.007,1031 3.25,1032 14.826,1033 7.724,1034 11.77,1035 1,1036 14.264,1037 2.381,1038 8.684,1039 10.981,1040 3.407,1041 16.827,1042 8.335,1043 13.17,1044 1,1045 16.025,1046 2.275,1047 9.967,1048 12.681,1049 4.157,1050 19.243,1051 9.588,1052 3.133,1053 0.879,1054 17.802,1055 2.2,1056 10.854,1057 13.895,1058 4.464,1059 21.423,1060 10.407,1061 2.801,1062 10.48,1063 19.594,1064 2.136,1065 12.029,1066 15.475,1067 5.112,1068 23.78,1069 11.544,1070 2.667,1071 8.968,1072 21.396,1073 4.516,1074 13.026,1075 16.823,1076 5.504,1077 26.043,1078 12.474,1079 2.521,1080 7.634,1081 23.208,1082 3.806,1083 14.158,1084 18.35,1085 6.091,1086 28.383,1087 13.558,1088 2.418,1089 7.013,1090 25.029,1091 3.628,1092 15.213,1093 19.769,1094 6.531,1095 30.686,1096 14.548,1097 2.15,1098 6.97,1099 26.857,1100 3.446,1101 16.33,1102 21.275,1103 7.083,1104 33.022,1105 15.612,1106 2.081,1107 6.259,1108 28.692,1109 3.132,1110 17.417,1111 22.733,1112 7.551,1113 35.345,1114 16.634,1115 17416,1116 30313,1117 26.235,1118 38.682,1119 56.72,1120 57.819,1121 56.984,1122 56.41,1123 56.344,1124 77.96,1125 5.121,1126 157.041,1127 53.478,1128 5.442,1129 5.563,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 11.446,1138 1.493,1139 1.522,1140 1.5,1141 1.484,1142 1.483,1143 2.052,1144 0.135,1145 4.133,1146 1.407,1147 4.128,1148 4.18,1149 4.102,1150 3.975,1151 7.431,1152 3.997,1153 3.924,1154 3.959,1155 3.994,1156 3.84,1157 5.115,1158 3.838,1159 3.877,1160 3.919,1161 3.827,1162 3.787,1163 4.946,1164 3.79,1165 3.854,1166 3.888,1167 3.806,1168 3.75,1169 4.895,1170 3.76,1171 3.437,1172 3.481,1173 3.492,1174 3.191,1175 4.745,1176 3.229,1177 3.343,1178 3.423,1179 3.277,1180 3.108,1181 4.44,1182 3.138,1183 3.191,1184 3.253,1185 3.192,1186 3.019,1187 4.375,1188 3.03,1189 2.925,1190 2.986,1191 3.081,1192 2.795,1193 4.111,1194 2.788,1195 0.12,1196 0.094,1197 0.173,1198 0.107,1199 0.082,1200 4.574,1201 0.119,1202 3.563,1203 0.044,1204 6.573,1205 0.276,1206 4.073,1207 0.078,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.881,1220 1.855,1221 1.98,1222 1.995,1223 1.09,1224 1.993,1225 1.855,1226 1.817,1227 1.967,1228 1.968,1229 1.058,1230 1.973,1231 1.737,1232 1.691,1233 1.819,1234 1.896,1235 0.907,1236 1.886,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.268,1244 1.225,1245 1.416,1246 1.566,1247 0.457,1248 1.521,1249 1.155,1250 1.072,1251 1.379,1252 1.423,1253 0.337,1254 1.423,1255 0.961,1256 0.915,1257 1.181,1258 1.125,1259 0.246,1260 1.123,1261 4.344,1263 5.652,1264 2.398,1265 7.148,1266 4.595,1267 8.728,1268 6.605,1269 10.354,1272 5.898,1277 0.591,1278 9.012,1289 37.38,1290 88.577,1291 196.677,1292 252.035,1293 286.009,1294 290.764,1295 292.764,1296 46.9,1297 8.27,1298 96.24,1299 96.24,1300 29,1301 12.658,1302 4.907,1303 4,1304 50.051,1305 164,1306 186,1307 0.144,1308 232.518,1309 388.8,1310 559.103,1311 53592,1312 1.9,1313 23.33,1314 0.686,1315 0.55,1316 23.83,1317 18.698,1318 16.636,1319 0.438,1320 0.287,1321 10.434,1322 15.766,1323 10.219,1324 8.473,1325 16.925,1326 10.922,1327 14.923,1328 0.287,1329 0.153,1330 15.331,1331 7.945,1332 12.302,1333 0.184,1334 0.08,1335 12.59,1336 5.354,1337 10.444,1338 0.119,1339 0.041,1340 10.611,1341 3.585,1342 8.451,1343 0.077,1344 0.022,1345 8.687,1346 2.406,1347 0.23,1348 106.778,1349 0.195,1350 31.88,1351 0.383,1352 180,1353 527.518,1354 211.416,1355 551.329,1356 753.76,1357 516,1358 209,1359 543.612,1360 235.074,1361 562.63,1362 817.04,1363 530,1364 5.337}
{0 CHEMBL1079621,1 1.725,2 15.5,3 4.352,4 18.936,5 137.338,6 8.626,7 0.667,8 4.223,9 4.342,10 3.901,11 3.755,12 5.447,13 3.776,14 4.734,15 4.887,16 4.315,17 4.129,18 6.322,19 4.136,20 4.929,21 5.12,22 4.274,23 4.238,24 6.14,25 4.206,26 5.014,27 5.236,28 4.235,29 4.172,30 6.237,31 4.15,32 4.953,33 5.175,34 4.221,35 4.13,36 6.182,37 4.119,38 4.942,39 5.15,40 4.199,41 4.151,42 6.229,43 4.129,44 4.915,45 5.131,46 4.191,47 4.166,48 6.112,49 4.133,50 4.887,51 5.085,52 4.19,53 4.154,54 6.354,55 4.103,56 0.181,57 1.163,58 8.871,59 4.852,60 22.314,61 5.42,62 0.983,63 2.155,64 18.253,65 8.042,66 136.804,67 9.141,68 0.578,69 2.021,70 24.401,71 10.532,72 48.163,73 12.904,74 0.85,75 2.128,76 31.262,77 10.884,78 98.173,79 13.191,80 0.807,81 1.98,82 29.189,83 9.849,84 84.402,85 12.005,86 1.02,87 1.976,88 28.515,89 9.88,90 113.245,91 11.458,92 0.748,93 1.835,94 27.505,95 10.136,96 84.589,97 12.714,98 1.103,99 1.791,100 25.299,101 9.892,102 140.595,103 12.583,104 18,105 59,106 0.274,107 0.594,108 0.761,109 0.872,110 0.893,111 0.893,112 3.668,113 0.831,114 -4.78,115 -4.7,116 -4.41,118 45,124 2,130 1,138 10,139 4,140 1,141 3,142 1,143 1,147 2,154 1,156 1,167 12,170 1,171 3,173 3,174 1,175 4,178 11,181 2,182 4,184 2,186 6,188 5,192 7,197 7,204 11,206 2,208 7,215 10,218 1,220 4,223 3,227 2,228 2,231 1,232 1,233 2,235 10,239 3,240 1,243 2,247 14,252 2,255 1,256 1,257 1,260 11,264 3078,265 25.573,266 25.573,267 25.573,268 25.573,269 25.573,270 22.192,271 26.115,272 15.177,273 26.264,274 20.81,275 20.81,276 20.81,277 20.81,278 20.81,279 15.666,280 38.784,281 7.288,282 21.996,283 4.182,284 2.16,285 1.112,286 0.413,287 0.279,288 0.279,289 4.372,294 1,295 1283,296 4.301,299 96.734,300 496.883,303 169.009,307 2.553,308 51.05,311 0.75,312 0.83,313 0.83,314 0.5,316 0.83,317 1,318 0.68,319 85,320 589,321 4.574,322 4.46,323 7.116,324 4.18,325 3.319,326 4.516,327 3.825,328 11.689,329 2.956,330 4.452,331 3.551,332 6.573,333 4.073,334 3.133,335 3.865,336 1.659,337 10.48,338 2.903,339 4.175,340 3.171,341 6.11,342 3.764,343 2.793,344 3.804,345 0.657,346 8.967,347 2.697,348 3.898,349 2.808,350 5.471,351 3.514,352 2.544,353 3.446,354 0.564,355 7.317,356 2.485,357 3.83,358 2.747,359 5.372,360 3.499,361 2.519,362 3.143,363 0.133,364 7.065,365 2.424,366 3.737,367 2.721,368 5.367,369 3.37,370 2.404,371 3.079,373 7.012,374 2.299,375 3.488,376 2.331,377 5.191,378 3.018,379 2.087,380 2.854,382 6.259,383 1.978,384 3.427,385 2.185,386 4.822,387 2.995,388 2.021,389 2.685,391 5.49,392 1.917,393 2.949,394 1.946,395 4.499,396 2.529,397 1.582,398 2.127,400 4.444,401 1.471,402 2.921,403 1.599,404 4.369,405 2.431,406 1.498,407 2.09,409 4.099,410 1.403,411 2.909,412 1.531,413 3.786,414 2.425,415 1.459,416 2.049,417 3.187,418 1.394,419 2.66,420 1.25,421 3.591,422 2.154,423 1.181,424 1.735,425 2.689,426 1.147,427 2.571,428 1.201,429 3.498,430 2.096,431 1.117,432 1.602,433 2.556,434 1.08,435 2.5,436 1.054,437 3.471,438 1.984,439 1,440 1.5,441 2.382,442 0.983,443 2.5,444 1.006,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.49,452 0.46,453 0.997,454 0.026,455 54.25,456 1.428,457 28.5,458 0.75,459 25.75,460 0.678,461 28.342,462 0.746,463 40.11,464 0.668,465 47.019,466 1.237,467 11.176,468 0.294,469 7.172,470 0.189,471 0.068,472 0.029,473 0.28,476 3,478 0.645,479 1.089,480 0.645,481 0.999,482 0.581,483 0.86,484 0.479,485 0.816,486 0.775,487 0.947,488 0.391,489 0.951,490 0.657,491 0.946,492 0.915,493 1.128,494 0.593,495 1.117,496 1.069,497 1.089,498 1.048,499 1.045,500 0.985,501 1.032,502 0.997,503 0.928,504 0.974,505 0.906,506 0.883,507 0.908,508 1.129,509 0.843,510 1.152,511 0.907,512 1.162,513 0.996,514 0.758,515 0.764,516 0.906,517 0.885,518 0.715,519 0.923,520 0.413,521 0.62,522 0.938,523 0.971,524 0.438,525 1.095,526 8.5,527 0.176,528 3.778,529 1.938,530 2.018,531 1.104,532 0.75,533 0.601,534 0.321,535 0.334,536 25723,537 86245,538 2.107,539 36.7,541 14,542 2,543 3,544 3,549 1.785,550 1.991,551 3.89,552 0.817,558 103.518,559 1.725,560 3.747,561 4.795,562 5.494,563 5.628,564 5.628,565 3.399,566 4.86,567 5.218,568 4.118,569 2895.05,570 9.179,571 50579,576 354.413,577 1.425,578 5.183,579 0.202,580 0.004,581 0.064,582 0.034,583 0.038,584 0.021,585 0.014,586 0.011,587 0.006,588 0.008,589 0.404,590 0.17,591 0.75,592 0.618,593 214.679,594 -0.07,595 -0.138,596 0.023,597 -0.037,598 -0.093,599 0.013,600 0.372,601 0.23,602 0.024,603 0.007,604 0.395,605 -0.073,606 -0.006,607 -0.117,608 -0.054,609 -0.163,610 0.003,611 -0.141,612 -0.151,613 -0.173,614 -0.055,615 -0.086,616 -0.094,617 -0.045,618 -0.128,619 -0.062,620 0.003,621 0.028,622 -0.057,623 0.061,624 -0.125,625 0.124,626 -0.185,627 0.049,628 -0.151,629 -0.048,630 -0.034,631 0.032,632 0.03,633 0.071,634 -0.028,635 0.074,636 0.338,637 0.198,638 -0.03,639 -0.01,640 0.296,641 -0.117,642 5.694,643 5.443,644 0.711,645 51.421,646 1.026,647 1.141,648 3.553,649 12.623,650 0.686,651 3.761,652 4.094,653 4.317,654 4.564,655 4.787,656 4.844,657 5.024,658 5.13,659 5.226,660 5.342,661 9.175,662 0.679,663 517.56,664 3.761,665 5.313,666 6.151,667 7.027,668 7.882,669 8.76,670 9.624,671 10.504,672 11.373,673 12.254,674 11.7,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,716 60,718 29,719 2,720 42,722 64,723 27,724 23,725 4,726 8,728 5,729 6,731 1,732 1,737 1,740 24,741 3,744 1,749 1,753 1,758 3,760 22,761 10,762 3,763 11,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,825 3,827 38,833 2,834 3,839 1,849 3,850 1.7,853 1,858 19.083,859 10.645,860 8.167,861 3.314,863 5.042,864 1.592,865 1.028,866 7.364,867 13.56,868 4.06,869 4.68,870 5.252,871 5.844,872 6.378,873 6.642,874 7.109,875 7.519,876 7.849,877 8.244,878 1,879 57,880 14.453,881 6.63,882 8.099,883 25.881,884 21.031,885 2.599,886 98.75,890 223.651,891 178.545,892 105.675,894 25.145,895 44.88,897 178.545,898 248.796,899 150.556,901 40.233,902 112.857,903 130.541,904 91.565,905 30.146,906 164.795,907 7.76,908 223.651,909 284.221,910 70.025,913 223.651,914 70.025,917 80.893,918 134.96,919 68.367,921 268.531,922 130.82,923 178.545,926 231.41,927 30.786,928 141.286,929 54.032,930 120.382,931 223.651,932 175.701,933 178.545,935 0.585,936 0.326,937 0.172,938 0.095,939 28,940 12,941 0.109,942 7,943 1,944 1.074,945 4.915,946 363.872,947 0.074,948 27,949 190.666,954 25.405,955 11.016,956 6.373,957 0.672,958 174.414,959 24.571,960 13.166,964 3.128,966 54.032,967 577.897,968 57,973 12.443,977 -0.544,980 61.53,981 68.453,983 0.292,984 0.634,985 0.812,986 0.93,987 0.953,988 0.953,989 5.293,990 2.021,991 6.151,992 6.259,993 4.779,994 5.368,995 3.298,996 6.959,997 4.672,998 6.514,999 1.582,1000 7.71,1001 5.49,1002 4.443,1003 5.147,1004 3.949,1005 8.003,1006 4.199,1007 7.826,1008 1.498,1009 9.379,1010 4.444,1011 6.409,1012 7.58,1013 5.467,1014 11.02,1015 6.173,1016 9.174,1017 1.459,1018 11.115,1019 4.099,1020 6.889,1021 8.172,1022 6.701,1023 12.902,1024 6.494,1025 10.552,1026 1.181,1027 12.898,1028 3.187,1029 8.347,1030 10.081,1031 8.066,1032 15.493,1033 7.942,1034 11.953,1035 1.117,1036 14.714,1037 2.689,1038 9.196,1039 11.083,1040 9.391,1041 17.706,1042 8.633,1043 13.371,1044 1,1045 16.555,1046 2.556,1047 10.462,1048 12.758,1049 10.736,1050 20.175,1051 9.857,1052 3.319,1053 1,1054 18.415,1055 2.382,1056 11.484,1057 13.985,1058 12.075,1059 22.519,1060 10.731,1061 3.133,1062 11.689,1063 20.291,1064 2.2,1065 12.679,1066 15.55,1067 13.417,1068 24.956,1069 11.857,1070 2.793,1071 10.48,1072 22.179,1073 4.516,1074 13.781,1075 16.9,1076 14.758,1077 27.353,1078 12.823,1079 2.544,1080 8.967,1081 24.077,1082 3.865,1083 14.955,1084 18.417,1085 16.1,1086 29.786,1087 13.907,1088 2.519,1089 7.317,1090 25.985,1091 3.804,1092 16.096,1093 19.834,1094 17.441,1095 32.207,1096 14.92,1097 2.404,1098 7.065,1099 27.899,1100 3.446,1101 17.266,1102 21.333,1103 18.783,1104 34.642,1105 15.988,1106 2.087,1107 7.012,1108 29.819,1109 3.143,1110 18.426,1111 22.787,1112 20.124,1113 37.074,1114 17.025,1115 24069,1116 44343,1117 28.315,1118 41.159,1119 63.841,1120 63.754,1121 63.051,1122 63.233,1123 63.059,1124 84.683,1125 13.677,1126 180.747,1127 59.672,1128 5.472,1129 6.46,1130 6.918,1131 5.251,1132 5.319,1133 7.516,1134 5.335,1135 18.66,1136 4.956,1137 17.476,1138 1.52,1139 1.518,1140 1.501,1141 1.506,1142 1.501,1143 2.016,1144 0.326,1145 4.304,1146 1.421,1147 4.129,1148 4.181,1149 4.101,1150 3.976,1151 8.513,1152 3.998,1153 3.957,1154 3.989,1155 3.911,1156 3.876,1157 7.999,1158 3.877,1159 3.881,1160 3.92,1161 3.826,1162 3.787,1163 7.999,1164 3.792,1165 3.866,1166 3.906,1167 3.804,1168 3.752,1169 7.431,1170 3.762,1171 3.533,1172 3.587,1173 3.484,1174 3.265,1175 5.114,1176 3.307,1177 3.355,1178 3.434,1179 3.323,1180 3.147,1181 4.897,1182 3.167,1183 3.312,1184 3.361,1185 3.256,1186 3.046,1187 4.749,1188 3.078,1189 3.197,1190 3.261,1191 3.103,1192 2.992,1193 4.694,1194 3.023,1195 0.109,1196 0.106,1197 0.169,1198 0.1,1199 0.079,1200 4.574,1201 0.108,1202 4.46,1203 0.091,1204 7.116,1205 0.278,1206 4.18,1207 0.07,1208 3.319,1209 4.516,1210 3.825,1211 11.689,1212 2.956,1213 1.966,1214 1.935,1215 2.047,1216 2.107,1217 1.177,1218 2.086,1219 1.924,1220 1.899,1221 2.029,1222 2.025,1223 1.153,1224 2.025,1225 1.856,1226 1.817,1227 1.978,1228 1.98,1229 1.09,1230 1.983,1231 1.738,1232 1.692,1233 1.82,1234 1.908,1235 0.908,1236 1.891,1237 1.401,1238 1.342,1239 1.58,1240 1.686,1241 0.71,1242 1.651,1243 1.397,1244 1.339,1245 1.56,1246 1.613,1247 0.579,1248 1.603,1249 1.162,1250 1.092,1251 1.411,1252 1.442,1253 0.457,1254 1.426,1255 1.114,1256 1.062,1257 1.268,1258 1.421,1259 0.29,1260 1.357,1261 4.443,1263 5.771,1264 2.398,1265 7.281,1266 4.595,1267 8.873,1268 6.605,1269 10.509,1273 38.789,1277 0.482,1278 8.628,1283 -4.444,1289 40.756,1290 103.518,1291 224.816,1292 287.684,1293 329.659,1294 337.659,1295 337.659,1296 75.418,1297 8.519,1298 96.24,1299 96.24,1300 29,1301 12.792,1302 4.907,1303 4,1304 59.296,1305 209,1306 195,1307 0.134,1308 246.964,1309 426.4,1310 594.352,1311 76132,1312 5,1313 26.537,1314 0.698,1315 0.524,1316 24.037,1317 19.905,1318 18.347,1319 0.437,1320 0.277,1321 11.409,1322 17.487,1323 11.26,1324 9.297,1325 17.136,1326 11.629,1327 17.234,1328 0.292,1329 0.143,1330 15.277,1331 8.429,1332 13.506,1333 0.183,1334 0.077,1335 12.543,1336 5.707,1337 11.192,1338 0.118,1339 0.04,1340 10.674,1341 3.847,1342 9.126,1343 0.077,1344 0.021,1345 8.497,1346 2.551,1347 0.217,1348 116.166,1349 0.188,1350 35.058,1351 0.349,1352 202,1353 781.648,1354 234.581,1355 681.673,1356 906.46,1357 634,1358 234,1359 650.186,1360 260.625,1361 641.336,1362 952.4,1363 602,1364 5.678}
{0 CHEMBL1079750,1 1.603,2 14.649,3 3.265,4 10.659,5 138.73,6 8.315,7 0.683,8 4.2,9 4.316,10 3.862,11 3.745,12 5.436,13 3.758,14 4.669,15 4.821,16 4.195,17 4.108,18 5.87,19 4.103,20 4.876,21 5.056,22 4.242,23 4.227,24 6.036,25 4.194,26 4.94,27 5.143,28 4.213,29 4.19,30 6.089,31 4.157,32 4.959,33 5.176,34 4.201,35 4.176,36 6.155,37 4.144,38 4.921,39 5.127,40 4.212,41 4.198,42 6.115,43 4.163,44 4.914,45 5.115,46 4.197,47 4.209,48 6.176,49 4.167,50 4.889,51 5.099,52 4.099,53 4.201,54 5.998,55 4.132,56 0.085,57 0.939,58 9.429,59 4.455,60 11.597,61 5.247,62 0.381,63 1.445,64 17.652,65 7.246,66 28.488,67 8.754,68 0.435,69 1.714,70 23.5,71 9.325,72 41.345,73 11.635,74 0.38,75 1.776,76 26.983,77 9.735,78 47.261,79 12.48,80 0.699,81 1.783,82 29.223,83 9.464,84 70.911,85 12.085,86 0.445,87 1.708,88 27.258,89 10.025,90 59.925,91 12.919,92 0.593,93 1.724,94 26.622,95 9.678,96 86.261,97 12.208,98 0.493,99 1.663,100 26.11,101 10.134,102 52.477,103 13.103,104 14,105 56,106 0.254,107 0.626,108 0.796,109 0.886,110 0.891,111 0.891,112 3.642,113 0.831,114 -2.95,115 -2.95,116 -2.85,118 45.8,123 1,124 1,138 9,139 3,140 3,141 3,142 1,143 1,147 2,153 1,154 1,156 1,167 9,170 1,171 5,173 3,174 1,175 4,178 7,181 2,182 8,184 3,186 6,188 3,192 9,197 6,203 1,204 11,206 4,208 6,214 1,215 9,218 1,220 3,223 3,227 3,228 3,231 2,232 1,233 1,235 10,239 3,240 3,243 2,247 12,252 5,255 1,256 1,257 1,260 7,264 2788,265 25.635,266 25.635,267 25.635,268 25.635,269 25.635,270 22.123,271 27.304,272 15.264,273 26.254,274 20.178,275 20.178,276 20.178,277 20.178,278 20.178,279 14.721,280 40.061,281 7.145,282 21.089,283 4.279,284 1.927,285 0.848,286 0.284,287 0.25,288 0.25,289 4.35,294 1,295 1182,296 3.742,299 91.704,300 470.114,303 160.12,307 2.307,308 32.691,311 1,312 0.67,313 1,314 0.4,316 1,317 1,318 0.72,319 80,320 542,321 4.574,322 4.058,323 6.573,324 4.073,325 3.133,326 4.516,327 2.035,328 10.48,329 2.956,330 4.305,331 3.572,332 6.194,333 3.894,334 2.931,335 3.945,336 1.656,337 9.267,338 2.819,339 4.172,340 3.172,341 6.11,342 3.755,343 2.783,344 3.803,345 0.86,346 8.963,347 2.692,348 3.898,349 3.052,350 5.446,351 3.507,352 2.522,353 3.446,354 0.657,355 7.237,356 2.484,357 3.816,358 2.804,359 5.367,360 3.416,361 2.447,362 3.138,363 0.247,364 7.012,365 2.364,366 3.719,367 2.723,368 5.222,369 3.211,370 2.238,371 3.014,373 6.503,374 2.171,375 3.485,376 2.333,377 5.191,378 3.01,379 2.086,380 2.851,382 6.259,383 1.951,384 3.416,385 2.33,386 4.866,387 2.981,388 2.006,389 2.662,391 5.566,392 1.917,393 2.962,394 2.185,395 4.406,396 2.476,397 1.517,398 2.133,400 4.211,401 1.451,402 2.944,403 1.853,404 4.21,405 2.431,406 1.498,407 2.09,409 3.738,410 1.394,411 2.92,412 1.599,413 3.784,414 2.36,415 1.383,416 1.933,417 3.186,418 1.344,419 2.822,420 1.531,421 3.59,422 2.151,423 1.175,424 1.73,425 2.677,426 1.145,427 2.658,428 1.201,429 3.47,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1.096,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.5,444 1.006,445 3.247,446 1.809,447 0.879,448 1.164,449 2.136,450 0.816,451 17.367,452 0.469,453 0.721,454 0.019,455 57.75,456 1.561,457 32.5,458 0.878,459 25.25,460 0.682,461 25.263,462 0.683,463 37.233,464 0.631,465 47.091,466 1.273,467 11.649,468 0.315,469 6.474,470 0.175,471 0.071,473 0.311,478 0.888,479 1.327,480 0.699,481 1.009,482 0.571,483 0.848,484 0.938,485 1.041,486 0.855,487 0.912,488 0.579,489 0.879,490 0.956,491 1.063,492 1.002,493 1.061,494 0.858,495 1.045,496 1.146,497 1.299,498 1.021,499 1.141,500 0.954,501 1.07,502 1.199,503 0.885,504 1.058,505 0.858,506 1.207,507 0.905,508 1.052,509 1.054,510 0.918,511 0.985,512 1.049,513 0.938,514 1.073,515 0.869,516 1.04,517 0.909,518 1.103,519 0.959,520 0.861,521 0.827,522 1.057,523 0.985,524 0.98,525 1.044,526 7,527 0.188,528 3.333,529 1.875,530 1.991,531 1.181,532 0.768,533 0.462,534 0.366,535 0.257,536 22960,537 67582,538 2.133,539 37.3,541 14,542 2,543 3,544 3,549 1.781,550 2.037,551 3.811,552 0.809,558 94.586,559 1.603,560 3.955,561 5.035,562 5.599,563 5.633,564 5.633,565 3.254,566 4.831,567 5.18,568 4.008,569 2669.22,570 9.116,571 44750.6,576 347.076,577 1.241,578 5.159,579 0.171,580 0.005,581 0.06,582 0.033,583 0.037,584 0.022,585 0.014,586 0.009,587 0.007,588 0.006,589 0.363,590 0.33,591 0.75,592 0.662,593 205.756,594 -0.097,595 -0.209,596 0.041,597 -0.067,598 -0.032,600 0.042,601 0.041,602 -0.014,603 0.03,604 0.028,605 -0.001,606 -0.007,607 -0.028,608 -0.097,609 -0.1,610 -0.061,611 -0.116,612 -0.139,613 -0.296,614 -0.051,615 -0.179,616 -0.051,617 -0.113,618 -0.032,619 0.134,620 -0.045,621 0.083,622 -0.033,623 0.038,624 -0.038,625 -0.075,626 0.064,628 0.044,629 0.043,630 -0.019,631 0.141,632 -0.075,633 0.056,634 0.08,635 -0.007,636 0.004,637 0.154,638 -0.097,639 0.013,640 -0.109,641 -0.047,642 2.136,643 5.708,644 0.73,645 46.326,646 1.011,647 1.124,648 1.719,649 2.954,650 0.7,651 3.738,652 4.043,653 4.317,654 4.585,655 4.804,656 4.89,657 5.024,658 5.142,659 5.252,660 5.371,661 8.564,662 0.683,663 490.57,664 3.738,665 5.273,666 6.12,667 6.991,668 7.854,669 8.731,670 9.6,671 10.48,672 11.353,673 12.236,674 13.6,679 1,681 2,682 1,683 1,684 3,689 1,690 14,691 3,695 8,697 28,699 1,709 1,714 1,716 59,718 30,719 2,720 41,722 63,723 27,724 23,725 5,726 7,728 5,729 6,731 1,739 1,740 24,741 2,744 1,749 1,753 1,760 22,761 9,762 3,763 10,766 1,769 8,775 0.8,776 2,784 1,787 1,793 1,794 4,797 1,819 4,823 1,827 37,833 1,834 3,835 1,842 1,846 1,848 1,850 3.4,853 1,855 1,858 18.167,859 11,860 8.278,861 3.229,863 5.264,864 1.62,865 1.016,866 7.159,867 13.749,868 4.078,869 4.68,870 5.293,871 5.893,872 6.431,873 6.73,874 7.167,875 7.552,876 7.893,877 8.293,878 0.9,879 57,880 13.565,881 5.726,882 7.815,883 25.459,884 20.37,885 2.315,886 85.667,890 223.651,891 191.503,892 136.735,894 36.145,897 191.503,898 259.796,899 136.735,900 10.883,901 38.127,902 103.381,903 147.143,904 93.558,905 30.146,906 164.795,908 223.651,909 328.238,910 36.145,913 223.651,914 36.145,917 102.087,918 157.783,919 68.367,921 223.651,922 172.879,923 191.503,926 223.651,927 33.495,928 142.693,929 70.634,930 117.561,931 223.651,932 172.879,933 191.503,935 0.571,936 0.338,937 0.187,938 0.101,939 26,940 11,941 0.111,942 7,943 1,944 1.074,945 4.809,946 355.578,947 0.074,948 27,949 188.75,954 24.113,955 10.985,956 5.636,957 0.708,958 171.593,959 25.009,960 13.272,964 5.053,966 54.032,967 588.034,968 58,973 12.708,977 -0.469,980 59.654,981 66.312,983 0.273,984 0.672,985 0.856,986 0.952,987 0.957,988 0.957,989 5.298,990 2.006,991 6.084,992 6.259,993 4.727,994 5.368,995 2.799,996 6.868,997 4.643,998 6.511,999 1.517,1000 7.62,1001 5.566,1002 4.205,1003 5.085,1004 1.195,1005 7.687,1006 4.093,1007 7.813,1008 1.498,1009 9.253,1010 4.211,1011 6.293,1012 7.592,1013 3.849,1014 10.777,1015 6.128,1016 9.149,1017 1.383,1018 10.943,1019 3.738,1020 6.608,1021 8.166,1022 2.324,1023 12.429,1024 6.401,1025 10.516,1026 1.175,1027 12.671,1028 3.186,1029 8.123,1030 10.099,1031 5.127,1032 15.017,1033 7.873,1034 11.905,1035 1,1036 14.425,1037 2.677,1038 8.836,1039 11.099,1040 3.407,1041 17.029,1042 8.533,1043 13.311,1044 1,1045 16.199,1046 2.381,1047 10.109,1048 12.781,1049 6.48,1050 19.439,1051 9.766,1052 3.133,1053 0.879,1054 17.987,1055 2.2,1056 11.022,1057 14.01,1058 4.464,1059 21.616,1060 10.619,1061 2.931,1062 10.48,1063 19.787,1064 2.136,1065 12.192,1066 15.577,1067 7.863,1068 23.964,1069 11.746,1070 2.783,1071 9.267,1072 21.596,1073 4.516,1074 13.204,1075 16.929,1076 5.504,1077 26.218,1078 12.697,1079 2.522,1080 8.963,1081 23.413,1082 3.945,1083 14.334,1084 18.446,1085 9.26,1086 28.546,1087 13.779,1088 2.447,1089 7.237,1090 25.237,1091 3.803,1092 15.396,1093 19.864,1094 6.531,1095 30.837,1096 14.78,1097 2.238,1098 7.012,1099 27.066,1100 3.446,1101 16.512,1102 21.361,1103 10.666,1104 33.161,1105 15.843,1106 2.086,1107 6.503,1108 28.901,1109 3.138,1110 17.6,1111 22.815,1112 7.551,1113 35.472,1114 16.871,1115 21482,1116 37022,1117 28.027,1118 41.284,1119 62.024,1120 64.298,1121 61.93,1122 60.195,1123 60.281,1124 83.307,1125 10.91,1126 169.455,1127 57.682,1128 5.451,1129 6.058,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 4.069,1135 17.431,1136 4.956,1137 14.735,1138 1.513,1139 1.568,1140 1.51,1141 1.468,1142 1.47,1143 2.032,1144 0.266,1145 4.133,1146 1.407,1147 4.129,1148 4.18,1149 4.101,1150 3.976,1151 7.431,1152 3.998,1153 3.949,1154 3.977,1155 3.909,1156 3.855,1157 6.82,1158 3.864,1159 3.878,1160 3.919,1161 3.819,1162 3.787,1163 5.115,1164 3.791,1165 3.86,1166 3.896,1167 3.802,1168 3.75,1169 4.898,1170 3.761,1171 3.45,1172 3.496,1173 3.409,1174 3.2,1175 4.842,1176 3.243,1177 3.346,1178 3.427,1179 3.266,1180 3.128,1181 4.742,1182 3.154,1183 3.309,1184 3.359,1185 3.22,1186 3.059,1187 4.438,1188 3.089,1189 3.192,1190 3.255,1191 3.096,1192 3.008,1193 4.339,1194 3.023,1195 0.112,1196 0.099,1197 0.16,1198 0.099,1199 0.076,1200 4.574,1201 0.11,1202 4.058,1203 0.05,1204 6.573,1205 0.256,1206 4.073,1207 0.072,1208 3.133,1209 4.516,1210 2.035,1211 10.48,1212 2.956,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.899,1220 1.878,1221 1.982,1222 2.013,1223 1.091,1224 2.002,1225 1.855,1226 1.817,1227 1.974,1228 1.976,1229 1.071,1230 1.979,1231 1.737,1232 1.691,1233 1.819,1234 1.901,1235 0.907,1236 1.887,1237 1.401,1238 1.341,1239 1.573,1240 1.613,1241 0.579,1242 1.603,1243 1.293,1244 1.249,1245 1.56,1246 1.586,1247 0.573,1248 1.542,1249 1.223,1250 1.166,1251 1.422,1252 1.532,1253 0.458,1254 1.538,1255 1.155,1256 1.072,1257 1.395,1258 1.423,1259 0.349,1260 1.423,1261 4.419,1263 5.727,1264 2.398,1265 7.229,1266 4.595,1267 8.82,1268 6.605,1269 10.459,1271 1.498,1277 0.569,1278 8.921,1279 5.284,1287 9.159,1288 2.052,1289 40.288,1290 94.586,1291 233.369,1292 297.037,1293 330.321,1294 332.321,1295 332.321,1296 58.32,1297 8.485,1298 129.26,1299 129.26,1300 29,1301 12.772,1302 4.954,1303 4.17,1304 56.803,1305 190,1306 186,1307 0.142,1308 248.305,1309 422.7,1310 597.625,1311 70805,1313 25.614,1314 0.692,1315 0.536,1316 25.614,1317 19.843,1318 18.123,1319 0.442,1320 0.277,1321 11.168,1322 17.367,1323 10.934,1324 9.109,1325 18.123,1326 11.358,1327 15.813,1328 0.282,1329 0.143,1330 15.813,1331 8.029,1332 13.486,1333 0.182,1334 0.075,1335 13.486,1336 5.576,1337 11.448,1338 0.118,1339 0.039,1340 11.448,1341 3.792,1342 9.1,1343 0.075,1344 0.02,1345 9.1,1346 2.456,1347 0.227,1348 113.991,1349 0.189,1350 34.041,1351 0.376,1352 194,1353 600.695,1354 213.469,1355 589.387,1356 810.05,1357 552,1358 227,1359 601.703,1360 247.193,1361 613.557,1362 887.72,1363 575,1364 6.903}
{0 CHEMBL1079751,1 1.725,2 14.842,3 4.831,4 23.337,5 137.544,6 8.626,7 0.667,8 4.223,9 4.342,10 3.901,11 3.755,12 5.451,13 3.776,14 4.733,15 4.886,16 4.327,17 4.13,18 6.323,19 4.139,20 4.92,21 5.102,22 4.301,23 4.251,24 6.136,25 4.226,26 5.025,27 5.236,28 4.317,29 4.204,30 6.299,31 4.192,32 5.044,33 5.277,34 4.248,35 4.135,36 6.376,37 4.134,38 4.879,39 5.077,40 4.191,41 4.141,42 6.11,43 4.127,44 4.913,45 5.113,46 4.282,47 4.18,48 6.404,49 4.151,50 4.897,51 5.107,52 4.103,53 4.171,54 6.061,55 4.113,56 0.181,57 1.163,58 8.871,59 4.852,60 21.316,61 5.42,62 0.976,63 2.155,64 18.436,65 8.114,66 138.18,67 9.314,68 0.574,69 2.039,70 23.386,71 10.199,72 50.406,73 12.256,74 0.71,75 2.252,76 29.786,77 11.267,78 68.16,79 13.748,80 1.328,81 2.22,82 35.253,83 10.529,84 150.607,85 11.882,86 0.743,87 1.867,88 25.298,89 9.392,90 90.783,91 10.855,92 1.108,93 1.857,94 26.4,95 9.8,96 145.61,97 12.656,98 0.756,99 1.804,100 26.213,101 10.335,102 77.792,103 12.614,104 27,105 60,106 0.274,107 0.611,108 0.782,109 0.87,110 0.88,111 0.885,112 3.668,113 0.828,114 -4.78,115 -4.7,116 -4.41,118 45,119 1,124 1,130 1,138 9,139 4,140 2,141 3,142 1,143 1,147 2,154 1,156 1,167 11,170 1,171 3,173 3,174 1,175 5,178 11,181 2,182 4,184 2,186 6,188 6,192 8,197 7,204 11,206 2,208 7,215 9,218 1,220 3,223 5,227 2,228 2,231 1,232 1,233 2,235 12,239 3,240 1,243 2,247 13,252 3,255 1,256 1,257 1,260 9,264 2974,265 25.366,266 25.366,267 25.366,268 25.366,269 25.366,270 21.932,271 26.747,272 14.909,273 26.058,274 20.798,275 20.798,276 20.798,277 20.798,278 20.798,279 15.598,280 40.692,281 7.156,282 21.993,283 4.182,284 2.054,285 0.98,286 0.425,287 0.358,288 0.325,289 4.37,294 1,295 1225,296 4.243,299 96.207,300 490.773,303 167.964,307 2.429,308 52.608,311 0.75,312 0.83,313 0.83,314 0.5,316 0.83,317 1,318 0.68,319 85,320 564,321 4.574,322 4.471,323 7.24,324 4.259,325 3.377,326 4.516,327 3.825,328 12.181,329 3.034,330 4.547,331 3.563,332 6.573,333 4.073,334 3.133,335 4.049,336 1.656,337 10.48,338 2.956,339 4.176,340 3.171,341 6.11,342 3.767,343 2.798,344 3.805,345 0.657,346 8.968,347 2.699,348 3.899,349 2.813,350 5.611,351 3.561,352 2.613,353 3.446,354 0.247,355 7.69,356 2.487,357 3.895,358 2.775,359 5.434,360 3.505,361 2.52,362 3.193,364 7.087,365 2.454,366 3.706,367 2.723,368 5.367,369 3.332,370 2.385,371 3.063,373 7.012,374 2.225,375 3.495,376 2.346,377 5.202,378 3.097,379 2.14,380 2.85,382 6.3,383 2.009,384 3.457,385 2.261,386 5.191,387 3.005,388 2.081,389 2.71,391 6.258,392 1.918,393 3.237,394 2.185,395 4.659,396 2.807,397 1.811,398 2.453,400 4.989,401 1.791,402 2.925,403 1.599,404 4.354,405 2.431,406 1.498,407 2.099,409 4.061,410 1.402,411 2.917,412 1.531,413 4.032,414 2.419,415 1.448,416 2.087,417 3.186,418 1.394,419 2.659,420 1.362,421 3.785,422 2.152,423 1.178,424 1.733,425 3.136,426 1.146,427 2.583,428 1.201,429 3.59,430 2.117,431 1.154,432 1.616,433 2.68,434 1.093,435 2.5,436 1.006,437 3.471,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.49,452 0.46,453 1.086,454 0.029,455 54.75,456 1.441,457 29,458 0.763,459 25.75,460 0.678,461 29.145,462 0.767,463 40.11,464 0.668,465 47.853,466 1.259,467 11.17,468 0.294,469 7.088,470 0.187,471 0.097,472 0.029,473 0.309,476 3,478 0.645,479 1.089,480 0.645,481 0.999,482 0.585,483 0.86,484 0.458,485 0.822,486 0.716,487 0.928,488 0.38,489 0.91,490 0.688,491 0.94,492 0.927,493 1.1,494 0.622,495 1.096,496 0.956,497 1.225,498 0.948,499 1.2,500 0.858,501 1.101,502 1.441,503 0.884,504 1.196,505 0.743,506 1.444,507 0.832,508 1.056,509 0.925,510 1.059,511 0.941,512 1.012,513 0.972,514 0.425,515 0.65,516 0.807,517 0.88,518 0.382,519 0.947,520 0.763,521 0.71,522 1.068,523 0.95,524 0.782,525 1.071,526 9,527 0.267,528 4,529 2.625,530 2.049,531 1.243,532 0.891,533 0.486,534 0.493,535 0.283,536 24839,537 82317,538 2.091,539 36.7,540 3,541 11,542 2,543 3,544 3,549 1.786,550 1.957,551 3.825,552 0.817,558 103.518,559 1.725,560 3.853,561 4.927,562 5.482,563 5.548,564 5.582,565 3.281,566 4.669,567 5.22,568 4.06,569 2854.29,570 9.186,571 49090.4,576 354.413,577 1.514,578 5.174,579 0.214,580 0.007,581 0.067,582 0.044,583 0.036,584 0.023,585 0.017,586 0.009,587 0.01,588 0.006,589 0.434,590 0.17,591 0.75,592 0.661,593 213.553,594 -0.07,595 -0.138,596 0.023,597 -0.037,598 -0.099,599 0.013,600 0.39,601 0.22,602 0.088,603 0.032,604 0.408,605 -0.024,606 -0.03,607 -0.092,608 -0.087,609 -0.144,610 -0.027,611 -0.142,612 -0.081,613 -0.303,614 0.016,615 -0.23,616 -0.012,617 -0.114,618 -0.199,619 0.17,620 -0.122,621 0.202,622 -0.182,623 0.112,624 -0.182,625 -0.011,626 -0.141,627 0.013,628 -0.154,629 -0.023,630 0.33,631 0.166,632 0.106,633 0.069,634 0.346,635 0.024,636 -0.052,637 0.094,638 -0.153,639 0.019,640 -0.098,641 -0.072,642 5.762,643 5.544,644 0.711,645 48.186,646 1.026,647 1.141,648 3.553,649 12.623,650 0.686,651 3.761,652 4.111,653 4.344,654 4.615,655 4.812,656 4.883,657 5.069,658 5.159,659 5.273,660 5.371,661 8.868,662 0.679,663 517.56,664 3.761,665 5.323,666 6.168,667 7.055,668 7.915,669 8.805,670 9.673,671 10.563,672 11.436,673 12.327,674 11.7,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,716 60,718 29,719 2,720 42,722 64,723 27,724 23,725 5,726 7,728 5,729 6,731 1,732 2,737 1,740 24,741 3,744 1,749 1,753 1,758 3,760 22,761 10,762 3,763 11,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,823 1,825 3,827 38,833 1,834 3,839 1,849 3,850 1.7,853 1,858 19.417,859 11.062,860 8.111,861 3.328,863 5.079,864 1.594,865 1.028,866 7.103,867 13.628,868 4.06,869 4.698,870 5.277,871 5.885,872 6.41,873 6.685,874 7.151,875 7.554,876 7.881,877 8.283,878 0.9,879 59,880 14.504,881 6.707,882 8.103,883 25.839,884 21.019,885 2.603,886 98.917,890 223.651,891 178.545,892 105.675,894 25.145,895 44.88,897 178.545,898 248.796,899 150.556,900 8.825,901 38.127,902 103.381,903 130.541,904 94.322,905 30.146,906 164.795,907 7.76,908 223.651,909 284.221,910 70.025,913 223.651,914 70.025,917 87.613,918 128.241,919 68.367,921 268.531,922 130.82,923 178.545,926 231.41,927 31.437,928 140.635,929 54.032,930 120.382,931 223.651,932 175.701,933 178.545,935 0.589,936 0.331,937 0.179,938 0.095,939 29,940 13,941 0.094,942 6,943 1,944 1.074,945 4.832,946 370.004,947 0.074,948 27,949 190.666,954 25.405,955 10.624,956 6.023,957 0.66,958 174.414,959 23.206,960 13.147,964 2.728,966 54.032,967 577.897,968 57,973 12.544,977 -0.67,980 61.53,981 68.453,983 0.292,984 0.652,985 0.834,986 0.928,987 0.939,988 0.945,989 5.303,990 2.081,991 6.18,992 6.3,993 4.796,994 5.387,995 3.277,996 7.009,997 4.689,998 6.536,999 1.811,1000 7.753,1001 6.258,1002 4.511,1003 5.223,1004 3.949,1005 8.078,1006 4.277,1007 7.857,1008 1.498,1009 9.434,1010 4.989,1011 6.444,1012 7.618,1013 5.466,1014 11.119,1015 6.212,1016 9.214,1017 1.448,1018 11.182,1019 4.061,1020 6.957,1021 8.25,1022 6.701,1023 13.023,1024 6.583,1025 10.6,1026 1.178,1027 12.974,1028 3.186,1029 8.401,1030 10.136,1031 8.066,1032 15.649,1033 8.01,1034 12.008,1035 1.154,1036 14.8,1037 3.136,1038 9.275,1039 11.166,1040 9.391,1041 17.893,1042 8.746,1043 13.433,1044 1,1045 16.651,1046 2.68,1047 10.539,1048 12.827,1049 10.736,1050 20.402,1051 9.966,1052 3.377,1053 1,1054 18.522,1055 2.381,1056 11.581,1057 14.071,1058 12.075,1059 22.785,1060 10.879,1061 3.133,1062 12.181,1063 20.41,1064 2.2,1065 12.783,1066 15.629,1067 13.417,1068 25.265,1069 12.013,1070 2.798,1071 10.48,1072 22.311,1073 4.516,1074 13.903,1075 16.987,1076 14.758,1077 27.705,1078 13.014,1079 2.613,1080 8.968,1081 24.224,1082 4.049,1083 15.089,1084 18.499,1085 16.1,1086 30.183,1087 14.114,1088 2.52,1089 7.69,1090 26.146,1091 3.805,1092 16.246,1093 19.919,1094 17.441,1095 32.648,1096 15.158,1097 2.385,1098 7.087,1099 28.076,1100 3.446,1101 17.431,1102 21.414,1103 18.783,1104 35.129,1105 16.247,1106 2.14,1107 7.012,1108 30.013,1109 3.193,1110 18.607,1111 22.867,1112 20.124,1113 37.607,1114 17.313,1115 23307,1116 42682,1117 28.027,1118 41.159,1119 64.143,1120 64.053,1121 63.829,1122 63.491,1123 63.307,1124 85.128,1125 12.772,1126 184.672,1127 59.905,1128 5.447,1129 6.471,1130 7.042,1131 5.33,1132 5.377,1133 7.516,1134 5.335,1135 19.593,1136 5.034,1137 19.325,1138 1.527,1139 1.525,1140 1.52,1141 1.512,1142 1.507,1143 2.027,1144 0.304,1145 4.397,1146 1.426,1147 4.129,1148 4.181,1149 4.102,1150 3.977,1151 8.513,1152 3.999,1153 3.971,1154 4.002,1155 3.933,1156 3.883,1157 7.999,1158 3.888,1159 3.88,1160 3.919,1161 3.822,1162 3.787,1163 7.999,1164 3.792,1165 3.864,1166 3.903,1167 3.804,1168 3.751,1169 7.431,1170 3.762,1171 3.481,1172 3.528,1173 3.454,1174 3.218,1175 5.115,1176 3.262,1177 3.349,1178 3.431,1179 3.298,1180 3.135,1181 4.897,1182 3.157,1183 3.293,1184 3.345,1185 3.248,1186 3.035,1187 4.753,1188 3.054,1189 3.202,1190 3.271,1191 3.101,1192 2.983,1193 4.696,1194 3.022,1195 0.109,1196 0.106,1197 0.172,1198 0.101,1199 0.08,1200 4.574,1201 0.108,1202 4.471,1203 0.091,1204 7.24,1205 0.29,1206 4.259,1207 0.072,1208 3.377,1209 4.516,1210 3.825,1211 12.181,1212 3.034,1213 1.967,1214 1.936,1215 2.047,1216 2.107,1217 1.168,1218 2.086,1219 1.928,1220 1.903,1221 2.024,1222 2.034,1223 1.153,1224 2.029,1225 1.855,1226 1.817,1227 1.978,1228 1.979,1229 1.09,1230 1.982,1231 1.737,1232 1.691,1233 1.819,1234 1.904,1235 0.907,1236 1.889,1237 1.401,1238 1.341,1239 1.564,1240 1.624,1241 0.622,1242 1.603,1243 1.335,1244 1.282,1245 1.56,1246 1.612,1247 0.579,1248 1.587,1249 1.161,1250 1.081,1251 1.413,1252 1.439,1253 0.457,1254 1.427,1255 1.117,1256 1.049,1257 1.341,1258 1.424,1259 0.314,1260 1.398,1261 4.443,1263 5.784,1264 2.398,1265 7.306,1266 4.595,1267 8.912,1268 6.605,1269 10.564,1271 1.368,1273 39.635,1277 0.526,1278 8.437,1283 -4.512,1289 40.756,1290 103.518,1291 231.197,1292 295.619,1293 328.904,1294 332.904,1295 334.904,1296 78.437,1297 8.548,1298 96.24,1299 96.24,1300 29,1301 12.859,1302 4.907,1303 4,1304 59.235,1305 203,1306 195,1307 0.139,1308 246.964,1309 426.4,1310 594.352,1311 76634,1312 5,1313 26.7,1314 0.703,1315 0.53,1316 24.2,1317 20.121,1318 18.258,1319 0.435,1320 0.276,1321 11.372,1322 17.4,1323 11.171,1324 9.247,1325 17.047,1326 11.589,1327 17.426,1328 0.29,1329 0.142,1330 15.431,1331 8.529,1332 13.583,1333 0.179,1334 0.076,1335 12.873,1336 5.8,1337 11.709,1338 0.117,1339 0.039,1340 10.752,1341 3.931,1342 9.142,1343 0.075,1344 0.021,1345 8.547,1346 2.532,1347 0.223,1348 115.584,1349 0.189,1350 34.844,1351 0.366,1352 204,1353 785.648,1354 236.914,1355 686.417,1356 915.51,1357 638,1358 238,1359 661.749,1360 264.792,1361 653.397,1362 971.2,1363 613,1364 6.092}
{0 CHEMBL1079794,1 1.763,2 14.556,3 5.396,4 29.111,5 140.944,6 9.979,7 0.7,8 4.126,9 4.231,10 3.937,11 3.737,12 5.342,13 3.735,14 4.596,15 4.728,16 4.34,17 4.127,18 5.842,19 4.104,20 4.837,21 5.003,22 4.488,23 4.251,24 6.042,25 4.191,26 4.845,27 5.036,28 4.393,29 4.162,30 6.024,31 4.103,32 4.815,33 5.016,34 4.356,35 4.095,36 6.064,37 4.062,38 4.766,39 4.944,40 4.254,41 4.131,42 5.978,43 4.09,44 4.801,45 4.992,46 4.29,47 4.176,48 6.007,49 4.12,50 4.794,51 4.985,52 4.204,53 4.181,54 5.912,55 4.093,56 0.139,57 0.831,58 5.26,59 3.766,60 8.895,61 4.026,62 0.372,63 1.301,64 10.54,65 6.331,66 22.407,67 7.016,68 0.62,69 1.527,70 26.819,71 9.33,72 50.229,73 10.253,74 0.586,75 1.517,76 30.91,77 9.817,78 48.158,79 11.135,80 0.788,81 1.5,82 28.941,83 8.875,84 70.375,85 9.375,86 0.561,87 1.441,88 21.365,89 8.621,90 53.682,91 9.609,92 0.614,93 1.498,94 22.428,95 9.151,96 55.263,97 10.782,98 0.542,99 1.451,100 23.299,101 9.549,102 39.522,103 11.426,104 17,105 56,106 0.285,107 0.619,108 0.788,109 0.888,110 0.9,111 0.9,112 3.615,113 0.892,114 -4.68,115 -4.6,116 -4.33,118 46.3,124 1,138 8,139 2,140 5,141 3,142 1,143 1,147 2,154 1,156 1,167 6,170 1,171 3,173 3,174 1,175 4,178 8,181 2,182 4,184 2,186 6,188 7,192 7,197 6,199 1,204 11,206 2,208 7,211 1,215 9,218 1,220 3,223 3,227 2,228 2,231 1,232 1,233 2,235 10,239 3,240 1,243 2,247 12,252 2,255 1,256 1,257 1,260 9,264 2604,265 24.394,266 24.394,267 24.394,268 24.394,269 24.394,270 20.817,271 23.536,272 14.413,273 25.177,274 19.781,275 19.781,276 19.781,277 19.781,278 19.781,279 14.442,280 34.823,281 6.911,282 21.236,283 3.992,284 1.924,285 0.88,286 0.259,287 0.185,288 0.185,289 4.321,290 3,294 1,295 1147,296 3.536,299 89.098,300 456.968,303 155.722,307 2.278,308 34.008,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 77.5,320 524,321 4.574,322 3.584,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.353,331 3.374,332 6.214,333 3.89,334 2.981,335 4.039,336 0.657,337 9.226,338 2.712,339 4.173,340 3.171,341 6.11,342 3.756,343 2.788,344 3.804,345 0.247,346 8.963,347 2.649,348 3.898,349 2.923,350 5.674,351 3.507,352 2.523,353 3.446,355 7.443,356 2.484,357 3.811,358 2.803,359 5.426,360 3.438,361 2.498,362 3.158,364 7.022,365 2.335,366 3.65,367 2.723,368 5.367,369 3.2,370 2.308,371 3.037,373 7.01,374 2.02,375 3.48,376 2.333,377 5.191,378 3.006,379 2.084,380 2.849,382 6.259,383 1.918,384 3.384,385 2.221,386 4.83,387 2.918,388 1.966,389 2.63,391 5.421,392 1.763,393 3.001,394 2.185,395 4.453,396 2.509,397 1.604,398 2.191,400 4.429,401 1.414,402 2.922,403 1.695,404 4.342,405 2.431,406 1.498,407 2.093,409 4.049,410 1.394,411 2.914,412 1.599,413 3.786,414 2.41,415 1.446,416 2.079,417 3.186,418 1.339,419 2.66,420 1.531,421 3.591,422 2.152,423 1.179,424 1.733,425 2.683,426 1.146,427 2.5,428 1.201,429 3.473,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1.006,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.293,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 17.776,452 0.494,453 0.886,454 0.025,455 53.75,456 1.493,457 29,458 0.806,459 24.75,460 0.688,461 28,462 0.778,463 36.224,464 0.671,465 42.409,466 1.178,467 10.683,468 0.297,469 6.775,470 0.188,471 0.139,473 0.332,478 0.769,479 1.312,480 0.507,481 0.789,482 0.607,483 0.734,484 0.707,485 1.119,486 0.63,487 0.82,488 0.582,489 0.856,490 0.964,491 1.037,492 0.889,493 0.977,494 0.976,495 1.018,496 0.995,497 1.281,498 0.864,499 1.088,500 0.907,501 1.055,502 1.074,503 0.901,504 0.656,505 0.789,506 1.226,507 0.835,508 0.918,509 1.085,510 0.719,511 0.976,512 1.044,513 0.984,514 0.689,515 0.901,516 0.65,517 0.865,518 0.67,519 0.922,520 0.767,521 0.87,522 0.855,523 0.98,524 0.81,525 1.084,526 7.5,527 0.201,528 3.778,529 2.063,530 2.102,531 1,532 0.768,533 0.486,534 0.415,535 0.279,536 21481,537 74899,538 2.12,539 33.3,541 10,542 2,543 3,544 3,549 1.774,550 2,551 3.802,552 0.856,558 95.202,559 1.763,560 3.831,561 4.875,562 5.496,563 5.57,564 5.57,565 3.261,566 4.781,567 5.14,568 3.989,569 2513.08,570 9.033,571 41189.7,576 310.764,577 1.352,578 5.109,579 0.188,580 0.006,581 0.067,582 0.037,583 0.041,584 0.02,585 0.015,586 0.009,587 0.009,588 0.007,589 0.399,590 0.17,591 0.75,592 0.496,593 198.517,594 -0.114,595 -0.187,596 -0.001,597 -0.017,598 -0.092,599 0.016,600 0.06,601 -0.009,602 -0.007,603 -0.003,604 0.054,605 -0.056,606 -0.019,607 -0.012,608 0.004,609 -0.046,610 -0.073,611 -0.097,612 -0.048,613 -0.279,614 0.042,615 -0.128,616 0.004,617 -0.075,618 0.002,619 0.146,620 0.123,621 0.138,622 0.036,623 0.113,624 -0.022,625 -0.063,626 -0.021,627 -0.066,628 -0.005,629 -0.048,630 0.123,631 0.118,632 0.057,633 0.06,634 0.16,635 0.047,636 0.019,637 0.115,638 -0.065,639 -0.024,640 -0.056,641 -0.087,642 2.148,643 5.593,644 0.75,645 44.481,646 1.022,647 1.119,648 3.455,649 11.936,650 0.748,651 3.714,652 4.043,653 4.304,654 4.564,655 4.787,656 4.844,657 4.99,658 5.124,659 5.236,660 5.352,661 8.425,662 0.723,663 538.85,664 3.714,665 5.263,666 6.111,667 6.987,668 7.851,669 8.73,670 9.601,671 10.482,672 11.358,673 12.241,674 13,679 1,681 2,682 1,684 3,689 1,690 13,691 3,695 9,697 28,709 1,715 3,716 54,718 29,719 2,720 40,722 58,723 25,724 23,725 6,726 6,728 5,729 6,730 3,731 1,740 24,741 1,744 1,749 1,753 1,760 18,761 7,762 3,763 11,764 3,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 3,827 36,833 1,834 3,849 3,850 1.9,853 1,858 18,859 9.729,860 7.806,861 2.967,863 5.052,864 1.6,865 1.032,866 7.366,867 13.47,868 4.025,869 4.67,870 5.262,871 5.864,872 6.4,873 6.666,874 7.095,875 7.538,876 7.87,877 8.28,878 0.9,879 56,880 13.204,881 5.659,882 7.824,883 24.724,884 20.076,885 2.324,886 83.667,890 176.567,891 156.615,892 105.675,893 117.446,894 25.145,897 156.615,898 319.157,899 105.675,901 38.127,902 93.905,903 130.541,904 53.572,905 30.146,906 117.711,907 117.446,908 176.567,909 262.29,910 25.145,911 117.446,913 176.567,914 25.145,917 71.028,918 122.895,919 185.813,921 176.567,922 130.82,923 274.061,926 176.567,927 35.568,928 122.334,929 54.032,930 192.947,931 176.567,932 130.82,933 274.061,935 0.584,936 0.338,937 0.181,938 0.099,939 27,940 12,941 0.103,942 6,943 1,944 1.074,945 4.717,946 344.206,947 0.074,948 27,949 182.117,954 24.497,955 10.824,956 5.804,957 0.708,958 129.534,959 23.135,960 13.253,964 4.998,966 54.032,967 581.448,968 55,973 12.593,977 -0.481,980 55.196,981 60.436,983 0.306,984 0.666,985 0.847,986 0.955,987 0.968,988 0.968,989 5.252,990 1.966,991 6.094,992 6.259,993 4.727,994 5.359,995 1.897,996 6.887,997 4.589,998 6.475,999 1.604,1000 7.641,1001 5.421,1002 4.29,1003 5.165,1004 1.195,1005 7.711,1006 4.031,1007 7.785,1008 1.498,1009 9.283,1010 4.429,1011 6.308,1012 7.598,1013 2.448,1014 10.805,1015 6.053,1016 9.13,1017 1.446,1018 10.982,1019 4.049,1020 6.673,1021 8.22,1022 2.324,1023 12.442,1024 6.298,1025 10.504,1026 1.179,1027 12.716,1028 3.186,1029 8.155,1030 10.12,1031 3.25,1032 15.041,1033 7.777,1034 11.899,1035 1,1036 14.475,1037 2.683,1038 8.897,1039 11.148,1040 3.407,1041 17.036,1042 8.41,1043 13.312,1044 1,1045 16.251,1046 2.381,1047 10.156,1048 12.815,1049 4.157,1050 19.455,1051 9.65,1052 3.133,1053 0.879,1054 18.04,1055 2.2,1056 11.085,1057 14.058,1058 4.464,1059 21.618,1060 10.483,1061 2.981,1062 10.48,1063 19.841,1064 2.136,1065 12.25,1066 15.619,1067 5.112,1068 23.971,1069 11.612,1070 2.788,1071 9.226,1072 21.65,1073 4.516,1074 13.271,1075 16.977,1076 5.504,1077 26.216,1078 12.549,1079 2.523,1080 8.963,1081 23.466,1082 4.039,1083 14.399,1084 18.491,1085 6.091,1086 28.546,1087 13.63,1088 2.498,1089 7.443,1090 25.288,1091 3.804,1092 15.467,1093 19.911,1094 6.531,1095 30.833,1096 14.621,1097 2.308,1098 7.022,1099 27.116,1100 3.446,1101 16.583,1102 21.406,1103 7.083,1104 33.158,1105 15.683,1106 2.084,1107 7.01,1108 28.949,1109 3.158,1110 17.675,1111 22.86,1112 7.551,1113 35.466,1114 16.704,1115 20038,1116 37715,1117 27.046,1118 40.398,1119 60.505,1120 61.813,1121 60.881,1122 60.182,1123 59.925,1124 81.997,1125 5.121,1126 171.047,1127 55.327,1128 5.447,1129 5.584,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 16.654,1138 1.513,1139 1.545,1140 1.522,1141 1.505,1142 1.498,1143 2.05,1144 0.128,1145 4.276,1146 1.383,1147 4.128,1148 4.18,1149 4.176,1150 3.976,1151 7.431,1152 3.998,1153 3.934,1154 3.958,1155 4.095,1156 3.871,1157 5.12,1158 3.864,1159 3.878,1160 3.919,1161 3.829,1162 3.787,1163 5.081,1164 3.791,1165 3.857,1166 3.887,1167 3.806,1168 3.751,1169 4.896,1170 3.761,1171 3.439,1172 3.481,1173 3.678,1174 3.193,1175 4.746,1176 3.232,1177 3.343,1178 3.423,1179 3.444,1180 3.111,1181 4.692,1182 3.14,1183 3.192,1184 3.253,1185 3.359,1186 3.021,1187 4.489,1188 3.032,1189 2.939,1190 2.986,1191 3.256,1192 2.873,1193 4.438,1194 2.846,1195 0.114,1196 0.09,1197 0.164,1198 0.102,1199 0.078,1200 4.574,1201 0.113,1202 3.584,1203 0.041,1204 6.573,1205 0.262,1206 4.073,1207 0.074,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.044,1216 2.107,1217 1.155,1218 2.085,1219 1.869,1220 1.857,1221 1.978,1222 1.987,1223 1.09,1224 1.986,1225 1.854,1226 1.817,1227 1.88,1228 1.95,1229 1.052,1230 1.946,1231 1.736,1232 1.691,1233 1.817,1234 1.888,1235 0.907,1236 1.882,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.267,1244 1.225,1245 1.415,1246 1.558,1247 0.457,1248 1.515,1249 1.155,1250 1.072,1251 1.37,1252 1.423,1253 0.333,1254 1.423,1255 0.961,1256 0.915,1257 1.181,1258 1.124,1259 0.245,1260 1.123,1261 4.394,1263 5.72,1264 2.398,1265 7.232,1266 4.595,1267 8.831,1268 6.605,1269 10.476,1272 18.155,1277 0.57,1278 8.836,1289 39.035,1290 95.202,1291 206.884,1292 263.254,1293 296.764,1294 300.764,1295 300.764,1296 59.416,1297 8.418,1298 96.24,1299 96.24,1300 29,1301 12.776,1302 4.907,1303 4,1304 54.536,1305 181,1306 177,1307 0.143,1308 249.183,1309 419.22,1310 599.767,1311 64652,1312 5.6,1313 25.07,1314 0.696,1315 0.578,1316 26.57,1317 20.811,1318 17.458,1319 0.436,1320 0.297,1321 10.705,1322 16.039,1323 10.421,1324 8.594,1325 18.324,1326 11.89,1327 15.96,1328 0.285,1329 0.16,1330 17.073,1331 8.97,1332 13.33,1333 0.183,1334 0.086,1335 14.572,1336 6.293,1337 11.109,1338 0.117,1339 0.043,1340 11.963,1341 4.129,1342 8.977,1343 0.075,1344 0.023,1345 9.839,1346 2.771,1347 0.228,1348 118.057,1349 0.192,1350 33.31,1351 0.379,1352 192,1353 595.925,1354 254.455,1355 675.509,1356 897.8,1357 628,1358 225,1359 599.337,1360 280.747,1361 637.991,1362 932.22,1363 600,1364 6.287}
{0 CHEMBL1079795,1 1.723,2 13.944,3 4.436,4 19.682,5 129.325,6 8.882,7 0.7,8 4.143,9 4.252,10 3.847,11 3.701,12 5.388,13 3.723,14 4.648,15 4.788,16 4.272,17 4.074,18 6.273,19 4.088,20 4.84,21 5.018,22 4.249,23 4.178,24 6.108,25 4.158,26 4.921,27 5.128,28 4.207,29 4.11,30 6.206,31 4.104,32 4.859,33 5.067,34 4.186,35 4.08,36 6.137,37 4.08,38 4.831,39 5.011,40 4.224,41 4.126,42 6.364,43 4.106,44 4.844,45 5.053,46 4.134,47 4.156,48 6.017,49 4.112,50 4.81,51 5.008,52 4.111,53 4.119,54 6.038,55 4.072,56 0.175,57 1.071,58 7.28,59 4.477,60 23.258,61 4.739,62 0.907,63 2.039,64 15.079,65 7.361,66 134.465,67 7.798,68 0.536,69 1.89,70 20.507,71 9.625,72 44.444,73 11.26,74 0.822,75 2.008,76 26.756,77 10.051,78 100.622,79 11.266,80 0.792,81 1.862,82 25.259,83 9.142,84 92.039,85 10.263,86 1.096,87 1.821,88 22.328,89 9.04,90 156.287,91 10.335,92 0.673,93 1.773,94 24.191,95 9.867,96 76.975,97 12.075,98 0.561,99 1.779,100 21.555,101 9.806,102 43.786,103 11.904,104 18,105 57,106 0.278,107 0.591,108 0.771,109 0.876,110 0.888,111 0.888,112 3.616,113 0.819,114 -4.93,115 -4.83,116 -4.53,118 47.3,124 1,130 1,138 10,139 4,140 1,141 3,142 1,143 1,147 2,153 1,156 1,167 12,170 1,171 4,173 2,175 4,178 11,181 2,182 6,184 2,186 6,188 5,192 8,197 4,199 2,204 10,206 2,208 3,211 6,215 8,218 1,220 1,223 10,227 2,228 2,232 1,233 1,235 12,239 3,240 4,243 1,247 9,252 5,255 1,257 2,260 4,264 2562,265 24.212,266 24.212,267 24.212,268 24.212,269 24.212,270 20.893,271 21.687,272 14.25,273 24.838,274 19.805,275 19.805,276 19.805,277 19.805,278 19.805,279 14.757,280 30.694,281 6.818,282 20.894,283 4.058,284 2.111,285 0.995,286 0.341,287 0.268,288 0.268,289 4.321,294 1,295 1095,296 4.062,299 88.375,300 450.542,303 154.358,307 2.228,308 51.54,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 80.5,320 502,321 4.574,322 4.461,323 7.118,324 4.191,325 3.324,326 4.516,327 3.825,328 11.699,329 2.977,330 4.47,331 3.571,332 6.573,333 4.073,334 3.133,335 3.935,336 1.058,337 10.48,338 2.945,339 4.19,340 3.171,341 6.123,342 3.815,343 2.842,344 3.798,345 0.657,346 9.008,347 2.716,348 4.036,349 2.807,350 6.034,351 3.679,352 2.697,353 3.446,355 8.637,356 2.609,357 3.898,358 2.725,359 5.367,360 3.505,361 2.52,362 3.345,364 7.012,365 2.482,366 3.635,367 2.373,368 5.3,369 3.229,370 2.264,371 3.047,373 6.792,374 2.177,375 3.473,376 2.276,377 5.191,378 3.005,379 2.082,380 2.843,382 6.259,383 1.918,384 3.203,385 2.185,386 4.666,387 2.747,388 1.785,389 2.406,391 4.929,392 1.681,393 2.943,394 1.607,395 4.415,396 2.452,397 1.498,398 2.132,400 4.206,401 1.428,402 2.92,403 1.599,404 3.971,405 2.431,406 1.489,407 2.09,409 3.196,410 1.394,411 2.674,412 1.531,413 3.777,414 2.173,415 1.205,416 1.752,417 3.07,418 1.161,419 2.598,420 1.201,421 3.589,422 2.118,423 1.142,424 1.62,425 2.654,426 1.097,427 2.526,428 1.15,429 3.479,430 2.014,431 1,432 1.5,433 2.416,434 1.009,435 2.5,436 1.006,437 3.458,438 1.984,439 1,440 1.5,441 2.374,442 0.983,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.477,449 2.2,450 0.949,451 16.59,452 0.461,453 0.98,454 0.027,455 52.75,456 1.465,457 28.5,458 0.792,459 24.25,460 0.674,461 25.799,462 0.717,463 37.41,464 0.68,465 45.399,466 1.261,467 10.793,468 0.3,469 6.571,470 0.183,471 0.072,472 0.03,473 0.295,476 3,478 0.616,479 1.033,480 0.613,481 0.967,482 0.577,483 0.835,484 0.492,485 0.82,486 0.745,487 0.944,488 0.404,489 0.933,490 0.639,491 0.923,492 0.877,493 1.115,494 0.572,495 1.096,496 1.113,497 1.073,498 1.069,499 1.036,500 1.045,501 1.025,502 1.037,503 0.866,504 0.986,505 0.837,506 0.955,507 0.858,508 0.661,509 0.746,510 0.979,511 0.924,512 0.648,513 1.024,514 0.647,515 0.731,516 0.914,517 0.887,518 0.58,519 0.96,520 0.585,521 0.863,522 0.934,523 1.113,524 0.543,525 1.148,526 8,527 0.252,528 4,529 1.938,530 1.978,531 1.278,532 0.609,533 0.629,534 0.337,535 0.321,536 21025,537 71745,538 2.113,539 34.5,541 12,542 2,543 3,544 2,549 1.774,550 1.991,551 3.756,552 0.204,558 94.788,559 1.723,560 3.671,561 4.786,562 5.44,563 5.513,564 5.513,565 3.25,566 4.76,567 5.141,568 3.957,569 2492.79,570 9.037,571 40528.7,576 317.975,577 1.463,578 5.103,579 0.2,580 0.007,581 0.07,582 0.035,583 0.038,584 0.025,585 0.011,586 0.012,587 0.007,588 0.008,589 0.413,590 0.17,591 0.75,592 0.639,593 197.93,594 -0.058,595 -0.123,596 0.025,597 -0.037,598 -0.094,599 0.01,600 0.348,601 0.209,602 0.024,603 -0.009,604 0.381,605 -0.08,606 0.006,607 -0.111,608 -0.027,609 -0.168,610 0.025,611 -0.133,612 -0.171,613 -0.153,614 -0.078,615 -0.079,616 -0.114,617 -0.047,618 -0.152,620 -0.012,621 0.099,622 -0.089,623 0.107,624 0.212,625 0.152,626 -0.074,627 0.026,628 0.227,629 -0.084,630 -0.013,631 0.05,632 0.01,633 0.078,634 -0.007,635 0.062,636 0.043,637 -0.075,638 -0.034,639 -0.14,640 0.035,641 -0.13,642 5.781,643 5.634,644 0.75,645 42.963,646 1.028,647 1.137,648 3.698,649 13.678,650 0.698,651 3.714,652 4.06,653 4.304,654 4.554,655 4.787,656 4.868,657 5.037,658 5.159,659 5.263,660 5.394,661 8.271,662 0.695,663 488.51,664 3.714,665 5.273,666 6.12,667 7.004,668 7.868,669 8.754,670 9.625,671 10.512,672 11.389,673 12.276,674 10.9,679 1,681 1,682 1,684 3,689 1,690 15,691 3,695 7,697 28,704 1,709 1,716 55,718 29,719 2,720 40,722 59,723 26,724 23,725 4,726 8,727 1,728 5,729 6,732 1,737 1,740 24,741 2,744 1,749 1,753 1,758 3,760 19,761 9,762 2,763 10,766 1,769 6,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,825 3,827 36,833 1,834 2,839 1,849 3,850 1.8,853 1,858 18.083,859 9.895,860 7.694,861 3.064,863 5.087,864 1.602,865 1.037,866 6.41,867 13.536,868 4.025,869 4.661,870 5.262,871 5.859,872 6.402,873 6.689,874 7.157,875 7.572,876 7.919,877 8.34,878 1,879 56,880 13.773,881 6.441,882 8.132,883 24.432,884 19.992,885 2.632,886 94.75,890 200.109,891 176.868,892 87.665,894 25.145,895 44.88,897 176.868,898 225.254,899 132.545,901 20.116,902 112.857,903 135.246,904 91.565,905 25.87,906 141.253,907 7.76,908 200.109,909 264.533,910 70.025,913 200.109,914 70.025,917 60.777,918 135.389,919 68.367,921 244.989,922 112.809,923 176.868,926 207.868,927 29.109,928 141.286,929 36.022,930 120.382,931 200.109,932 157.69,933 176.868,935 0.589,936 0.334,937 0.175,938 0.095,939 28,940 12,941 0.102,942 6,943 1,944 1.074,945 4.673,946 347.365,947 0.074,948 27,949 177.362,954 23.53,955 9.806,956 5.4,957 0.654,958 156.403,959 23.75,960 13.116,964 2.388,966 36.022,967 534.667,968 55,973 12.634,977 -0.643,980 56.545,981 62.54,983 0.298,984 0.635,985 0.828,986 0.941,987 0.954,988 0.954,989 5.263,990 1.785,991 6.129,992 6.259,993 4.745,994 5.349,995 3.176,996 6.957,997 4.643,998 6.493,999 1.498,1000 7.703,1001 4.929,1002 4.443,1003 5.147,1004 3.903,1005 8.032,1006 4.208,1007 7.812,1008 1.489,1009 9.386,1010 4.206,1011 6.395,1012 7.582,1013 5.433,1014 11.057,1015 6.174,1016 9.168,1017 1.205,1018 11.137,1019 3.196,1020 6.909,1021 8.195,1022 6.69,1023 12.949,1024 6.541,1025 10.555,1026 1.142,1027 12.931,1028 3.07,1029 8.359,1030 10.101,1031 8.059,1032 15.543,1033 7.983,1034 11.964,1035 1,1036 14.756,1037 2.654,1038 9.229,1039 11.118,1040 9.388,1041 17.751,1042 8.713,1043 13.39,1044 1,1045 16.603,1046 2.416,1047 10.491,1048 12.789,1049 10.734,1050 20.218,1051 9.936,1052 3.324,1053 1,1054 18.467,1055 2.374,1056 11.524,1057 14.022,1058 12.074,1059 22.555,1060 10.839,1061 3.133,1062 11.699,1063 20.344,1064 2.2,1065 12.718,1066 15.584,1067 13.416,1068 24.99,1069 11.969,1070 2.842,1071 10.48,1072 22.233,1073 4.516,1074 13.824,1075 16.936,1076 14.758,1077 27.382,1078 12.955,1079 2.697,1080 9.008,1081 24.13,1082 3.935,1083 14.996,1084 18.45,1085 16.1,1086 29.811,1087 14.046,1088 2.52,1089 8.637,1090 26.035,1091 3.798,1092 16.137,1093 19.866,1094 17.441,1095 32.229,1096 15.074,1097 2.264,1098 7.012,1099 27.947,1100 3.446,1101 17.307,1102 21.362,1103 18.783,1104 34.662,1105 16.149,1106 2.082,1107 6.792,1108 29.864,1109 3.345,1110 18.466,1111 22.815,1112 20.124,1113 37.093,1114 17.198,1115 19670,1116 36607,1117 26.929,1118 38.392,1119 61.465,1120 61.428,1121 60.655,1122 60.746,1123 60.554,1124 82.181,1125 11.082,1126 176.219,1127 57.454,1128 5.414,1129 6.461,1130 6.92,1131 5.261,1132 5.324,1133 7.516,1134 5.335,1135 18.726,1136 4.977,1137 16.605,1138 1.537,1139 1.536,1140 1.516,1141 1.519,1142 1.514,1143 2.055,1144 0.277,1145 4.405,1146 1.436,1147 4.129,1148 4.181,1149 4.102,1150 3.98,1151 8.513,1152 4.001,1153 3.965,1154 3.992,1155 3.928,1156 3.871,1157 7.999,1158 3.879,1159 3.876,1160 3.918,1161 3.813,1162 3.785,1163 7.999,1164 3.787,1165 3.851,1166 3.885,1167 3.797,1168 3.747,1169 7.429,1170 3.757,1171 3.426,1172 3.463,1173 3.429,1174 3.19,1175 5.114,1176 3.229,1177 3.347,1178 3.424,1179 3.274,1180 3.119,1181 4.896,1182 3.149,1183 3.235,1184 3.294,1185 3.172,1186 3.028,1187 4.751,1188 3.044,1189 3.158,1190 3.212,1191 3.074,1192 2.932,1193 4.657,1194 2.962,1195 0.114,1196 0.112,1197 0.178,1198 0.105,1199 0.083,1200 4.574,1201 0.113,1202 4.461,1203 0.096,1204 7.118,1205 0.292,1206 4.191,1207 0.074,1208 3.324,1209 4.516,1210 3.825,1211 11.699,1212 2.977,1213 1.972,1214 1.943,1215 2.051,1216 2.108,1217 1.159,1218 2.088,1219 1.911,1220 1.888,1221 2.001,1222 2.021,1223 1.109,1224 2.013,1225 1.854,1226 1.816,1227 1.975,1228 1.974,1229 1.086,1230 1.976,1231 1.734,1232 1.688,1233 1.817,1234 1.891,1235 0.906,1236 1.88,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.246,1244 1.219,1245 1.413,1246 1.528,1247 0.458,1248 1.462,1249 1.155,1250 1.074,1251 1.344,1252 1.424,1253 0.358,1254 1.42,1255 1.053,1256 1.007,1257 1.204,1258 1.359,1259 0.26,1260 1.298,1261 4.394,1263 5.733,1264 2.398,1265 7.258,1266 4.595,1267 8.863,1268 6.605,1269 10.512,1273 39.052,1277 0.522,1278 5.968,1283 -4.531,1289 38.207,1290 94.788,1291 201.887,1292 263.246,1293 299.22,1294 303.22,1295 303.22,1296 72.507,1297 8.449,1298 84.21,1299 84.21,1300 29,1301 12.809,1302 4.907,1303 4,1304 54.499,1305 178,1306 177,1307 0.146,1308 230.577,1309 398.1,1310 554.369,1311 66182,1312 5.5,1313 25.123,1314 0.698,1315 0.519,1316 22.623,1317 18.698,1318 17.364,1319 0.434,1320 0.273,1321 10.722,1322 16.574,1323 10.584,1324 8.728,1325 16.153,1326 10.922,1327 16.423,1328 0.288,1329 0.14,1330 14.465,1331 7.955,1332 13.144,1333 0.18,1334 0.075,1335 12.182,1336 5.452,1337 10.894,1338 0.116,1339 0.039,1340 10.361,1341 3.672,1342 8.867,1343 0.075,1344 0.021,1345 8.34,1346 2.441,1347 0.232,1348 109.813,1349 0.193,1350 33.191,1351 0.389,1352 194,1353 759.315,1354 224.694,1355 660.506,1356 879.42,1357 614,1358 227,1359 632.496,1360 252.459,1361 623.777,1362 929.74,1363 586,1364 6.128}
{0 CHEMBL1079809,1 1.786,2 14.73,3 4.52,4 20.426,5 128.772,6 9.009,7 0.683,8 4.169,9 4.272,10 3.882,11 3.699,12 5.427,13 3.733,14 4.672,15 4.803,16 4.304,17 4.061,18 6.315,19 4.088,20 4.846,21 5.015,22 4.263,23 4.155,24 6.124,25 4.15,26 4.919,27 5.117,28 4.239,29 4.072,30 6.217,31 4.087,32 4.856,33 5.049,34 4.211,35 4.02,36 6.218,37 4.047,38 4.798,39 4.973,40 4.172,41 4.079,42 6.08,43 4.082,44 4.847,45 5.031,46 4.248,47 4.123,48 6.376,49 4.105,50 4.823,51 5.024,52 4.076,53 4.121,54 5.984,55 4.068,56 0.227,57 1.078,58 7.17,59 4.575,60 25.855,61 4.65,62 1.047,63 2.023,64 15.221,65 7.504,66 139.494,67 7.647,68 0.698,69 1.846,70 20.118,71 9.362,72 52.986,73 10.468,74 0.93,75 1.925,76 26.817,77 10.307,78 99.653,79 11.402,80 1.132,81 1.793,82 25.324,83 8.373,84 102.21,85 8.72,86 0.815,87 1.739,88 21.147,89 8.879,90 97.228,91 9.229,92 1.176,93 1.75,94 22.832,95 8.977,96 149.117,97 10.718,98 0.763,99 1.7,100 22.876,101 9.995,102 74.503,103 11.854,104 18,105 58,106 0.287,107 0.594,108 0.758,109 0.861,110 0.879,111 0.89,112 3.642,113 0.809,114 -4.59,115 -4.51,116 -4.24,118 46.4,124 1,130 1,138 10,139 3,140 2,141 3,142 1,143 1,147 2,154 1,156 1,167 10,170 2,171 4,173 2,174 1,175 4,178 9,181 4,182 6,186 4,188 4,192 9,197 6,203 1,204 13,206 1,208 4,215 10,218 1,220 2,223 5,227 2,228 2,231 2,235 12,239 3,240 1,243 2,247 13,251 1,252 3,255 1,257 1,260 7,264 2817,265 24.866,266 24.866,267 24.866,268 24.866,269 24.866,270 21.485,271 23.722,272 14.724,273 25.618,274 20.327,275 20.327,276 20.327,277 20.327,278 20.327,279 15.209,280 33.714,281 7.075,282 21.626,283 4.021,284 2.109,285 1.084,286 0.442,287 0.335,288 0.263,289 4.347,294 1,295 1188,296 4.183,299 92.544,300 473.855,303 161.662,307 2.386,308 53.584,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 83.5,320 545,321 4.574,322 4.46,323 7.116,324 4.18,325 3.32,326 4.516,327 3.825,328 11.69,329 2.943,330 4.453,331 3.563,332 6.573,333 4.067,334 3.133,335 3.87,336 1.656,337 10.48,338 2.898,339 4.176,340 3.246,341 6.11,342 3.765,343 2.798,344 3.803,345 1.151,346 8.968,347 2.685,348 3.899,349 2.85,350 5.568,351 3.556,352 2.6,353 3.446,354 0.247,355 7.629,356 2.475,357 3.892,358 2.746,359 5.367,360 3.499,361 2.52,362 3.189,364 7.012,365 2.451,366 3.686,367 2.585,368 5.335,369 3.295,370 2.337,371 3.063,373 6.942,374 2.22,375 3.479,376 2.33,377 5.191,378 2.985,379 2.084,380 2.849,382 6.259,383 1.895,384 3.376,385 2.306,386 4.76,387 2.928,388 1.945,389 2.616,391 5.307,392 1.865,393 2.945,394 1.844,395 4.458,396 2.478,397 1.529,398 2.129,400 4.329,401 1.438,402 2.92,403 1.638,404 4.328,405 2.426,406 1.498,407 2.09,409 3.982,410 1.386,411 2.858,412 1.531,413 3.785,414 2.385,415 1.416,416 1.972,417 3.186,418 1.354,419 2.659,420 1.219,421 3.59,422 2.151,423 1.177,424 1.731,425 2.68,426 1.145,427 2.57,428 1.189,429 3.489,430 2.092,431 1.111,432 1.6,433 2.534,434 1.078,435 2.5,436 1.127,437 3.469,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 16.924,452 0.457,453 0.997,454 0.027,455 54.25,456 1.466,457 29,458 0.784,459 25.25,460 0.682,461 26.374,462 0.713,463 38.876,464 0.694,465 46.881,466 1.267,467 11.152,468 0.301,469 6.695,470 0.181,471 0.07,472 0.03,473 0.29,476 3,478 0.661,479 1.063,480 0.606,481 1.013,482 0.591,483 0.849,484 0.549,485 0.814,486 0.751,487 0.946,488 0.411,489 0.938,490 0.72,491 0.927,492 0.925,493 1.11,494 0.623,495 1.103,496 1.118,497 1.108,498 0.988,499 1.104,500 0.974,501 1.021,502 1.163,503 0.743,504 1.062,505 0.735,506 1.04,507 0.807,508 1.069,509 0.945,510 1.079,511 0.988,512 1.038,513 1.015,514 0.469,515 0.613,516 0.866,517 0.847,518 0.416,519 0.966,520 0.646,521 0.718,522 1.006,523 0.989,524 0.636,525 1.104,526 8.5,527 0.234,528 3.556,529 2.188,530 1.858,531 1.187,532 0.809,533 0.462,534 0.444,535 0.252,536 23292,537 81724,538 2.11,539 33.9,541 12,542 2,543 3,544 2,549 1.78,550 1.991,551 3.828,552 0.216,558 100.025,559 1.786,560 3.699,561 4.723,562 5.365,563 5.472,564 5.544,565 3.287,566 4.757,567 5.18,568 4.039,569 2690.18,570 9.109,571 45354.2,576 325.212,577 1.444,578 5.144,579 0.207,580 0.006,581 0.061,582 0.039,583 0.035,584 0.023,585 0.016,586 0.009,587 0.009,588 0.006,589 0.411,590 0.17,591 0.75,592 0.629,593 206.273,594 -0.069,595 -0.146,596 0.027,597 -0.069,598 -0.1,599 -0.004,600 0.339,601 0.214,602 0.024,603 -0.002,604 0.386,605 -0.088,606 -0.016,607 -0.106,608 -0.073,609 -0.162,610 -0.008,611 -0.15,612 -0.146,613 -0.196,614 0.024,615 -0.125,616 -0.074,617 -0.018,618 -0.141,619 0.134,620 -0.071,621 0.182,622 -0.094,623 0.118,624 -0.194,625 -0.033,626 -0.18,627 -0.027,628 -0.167,629 -0.069,630 0.287,631 0.197,632 0.041,633 0.09,634 0.317,635 -0.001,636 0.004,637 0.07,638 -0.085,639 -0.006,640 -0.044,641 -0.065,642 5.757,643 5.449,644 0.73,645 47.173,646 1.033,647 1.138,648 3.356,649 11.263,650 0.694,651 3.738,652 4.078,653 4.304,654 4.564,655 4.779,656 4.852,657 5.037,658 5.13,659 5.252,660 5.352,661 8.719,662 0.695,663 504.51,664 3.738,665 5.293,666 6.133,667 7.015,668 7.871,669 8.754,670 9.619,671 10.503,672 11.374,673 12.259,674 10.7,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,714 1,716 56,718 29,719 2,720 41,722 60,723 26,724 23,725 4,726 8,728 5,729 6,731 1,732 1,737 1,740 24,741 2,744 1,749 1,753 1,758 3,760 19,761 10,762 2,763 11,766 1,769 6,775 0.8,776 2,784 1,787 1,793 1,794 4,797 1,819 4,825 3,827 37,833 1,834 2,835 1,839 1,849 3,850 3.6,853 1,855 1,858 18.583,859 10.062,860 7.917,861 3.064,863 5.064,864 1.597,865 1.026,866 6.867,867 13.548,868 4.043,869 4.67,870 5.246,871 5.853,872 6.382,873 6.657,874 7.129,875 7.538,876 7.874,877 8.275,878 0.9,879 56,880 14.11,881 6.542,882 8.155,883 24.966,884 20.216,885 2.655,886 98.25,890 200.109,891 180.984,892 87.665,894 36.145,895 44.88,897 180.984,898 236.254,899 132.545,901 40.614,902 112.857,903 112.53,904 102.136,905 32.633,906 141.253,907 7.76,908 200.109,909 268.649,910 81.025,913 200.109,914 81.025,917 81.274,918 137.018,919 50.357,921 244.989,922 123.809,923 180.984,926 207.868,927 33.225,928 141.286,929 36.022,930 131.382,931 200.109,932 168.69,933 180.984,935 0.586,936 0.327,937 0.175,938 0.095,939 28,940 12,941 0.1,942 6,943 1,944 1.074,945 4.796,946 355.438,947 0.074,948 27,949 183.995,954 24.448,955 10.393,956 5.947,957 0.549,958 167.403,959 23.524,960 12.928,964 2.096,966 36.022,967 549.783,968 56,973 12.449,977 -0.684,980 57.872,981 63.749,983 0.308,984 0.637,985 0.813,986 0.924,987 0.942,988 0.955,989 5.278,990 1.945,991 6.138,992 6.259,993 4.762,994 5.359,995 3.343,996 6.954,997 4.642,998 6.504,999 1.529,1000 7.701,1001 5.307,1002 4.443,1003 5.147,1004 3.949,1005 8.003,1006 4.182,1007 7.818,1008 1.498,1009 9.373,1010 4.329,1011 6.399,1012 7.577,1013 5.479,1014 11.024,1015 6.139,1016 9.168,1017 1.416,1018 11.113,1019 3.982,1020 6.889,1021 8.172,1022 6.701,1023 12.906,1024 6.466,1025 10.549,1026 1.177,1027 12.898,1028 3.186,1029 8.344,1030 10.081,1031 8.067,1032 15.499,1033 7.906,1034 11.951,1035 1.111,1036 14.715,1037 2.68,1038 9.199,1039 11.085,1040 9.391,1041 17.71,1042 8.6,1043 13.371,1044 1,1045 16.557,1046 2.534,1047 10.464,1048 12.76,1049 10.736,1050 20.18,1051 9.819,1052 3.32,1053 1,1054 18.418,1055 2.381,1056 11.488,1057 13.987,1058 12.075,1059 22.522,1060 10.694,1061 3.133,1062 11.69,1063 20.294,1064 2.2,1065 12.683,1066 15.552,1067 13.417,1068 24.959,1069 11.817,1070 2.798,1071 10.48,1072 22.182,1073 4.516,1074 13.787,1075 16.902,1076 14.758,1077 27.355,1078 12.782,1079 2.6,1080 8.968,1081 24.081,1082 3.87,1083 14.96,1084 18.419,1085 16.1,1086 29.788,1087 13.863,1088 2.52,1089 7.629,1090 25.988,1091 3.803,1092 16.101,1093 19.836,1094 17.441,1095 32.208,1096 14.874,1097 2.337,1098 7.012,1099 27.902,1100 3.446,1101 17.271,1102 21.335,1103 18.783,1104 34.643,1105 15.939,1106 2.084,1107 6.942,1108 29.822,1109 3.189,1110 18.431,1111 22.789,1112 20.124,1113 37.075,1114 16.973,1115 21791,1116 41085,1117 27.622,1118 38.847,1119 62.47,1120 62.426,1121 61.735,1122 61.68,1123 61.527,1124 83.118,1125 13.759,1126 177.513,1127 57.841,1128 5.446,1129 6.46,1130 6.918,1131 5.265,1132 5.32,1133 7.516,1134 5.335,1135 18.668,1136 4.943,1137 17.049,1138 1.524,1139 1.523,1140 1.506,1141 1.504,1142 1.501,1143 2.027,1144 0.336,1145 4.33,1146 1.411,1147 4.124,1148 4.171,1149 4.098,1150 3.97,1151 8.513,1152 3.993,1153 3.951,1154 3.984,1155 3.911,1156 3.854,1157 7.999,1158 3.86,1159 3.875,1160 3.912,1161 3.819,1162 3.78,1163 7.999,1164 3.786,1165 3.861,1166 3.899,1167 3.802,1168 3.75,1169 7.431,1170 3.76,1171 3.469,1172 3.514,1173 3.45,1174 3.195,1175 5.143,1176 3.243,1177 3.316,1178 3.363,1179 3.286,1180 3.1,1181 4.9,1182 3.131,1183 3.267,1184 3.311,1185 3.217,1186 2.982,1187 4.754,1188 3.028,1189 3.165,1190 3.217,1191 3.072,1192 2.951,1193 4.704,1194 2.976,1195 0.112,1196 0.109,1197 0.174,1198 0.102,1199 0.081,1200 4.574,1201 0.11,1202 4.46,1203 0.093,1204 7.116,1205 0.285,1206 4.18,1207 0.072,1208 3.32,1209 4.516,1210 3.825,1211 11.69,1212 2.943,1213 1.962,1214 1.933,1215 2.041,1216 2.099,1217 1.147,1218 2.077,1219 1.903,1220 1.877,1221 1.998,1222 2.017,1223 1.098,1224 2.008,1225 1.846,1226 1.812,1227 1.967,1228 1.972,1229 1.064,1230 1.973,1231 1.73,1232 1.687,1233 1.809,1234 1.9,1235 0.899,1236 1.883,1237 1.385,1238 1.331,1239 1.533,1240 1.603,1241 0.513,1242 1.579,1243 1.286,1244 1.242,1245 1.406,1246 1.593,1247 0.451,1248 1.543,1249 1.092,1250 1.045,1251 1.359,1252 1.408,1253 0.362,1254 1.364,1255 1.075,1256 1.024,1257 1.205,1258 1.366,1259 0.264,1260 1.322,1261 4.419,1263 5.753,1264 2.398,1265 7.268,1266 4.595,1267 8.864,1268 6.605,1269 10.505,1273 38.839,1277 0.277,1278 5.059,1279 5.939,1283 -4.507,1289 38.922,1290 100.025,1291 207.125,1292 264.483,1293 300.457,1294 306.457,1295 310.457,1296 73.445,1297 8.484,1298 93.44,1299 93.44,1300 29,1301 12.794,1302 4.907,1303 4,1304 56.872,1305 193,1306 186,1307 0.139,1308 234.574,1309 406.89,1310 564.12,1311 71073,1312 5.4,1313 25.83,1314 0.698,1315 0.516,1316 23.33,1317 19.107,1318 17.847,1319 0.435,1320 0.27,1321 10.832,1322 16.932,1323 10.705,1324 8.829,1325 16.636,1326 11.062,1327 16.893,1328 0.291,1329 0.137,1330 14.935,1331 7.972,1332 13.174,1333 0.18,1334 0.073,1335 12.211,1336 5.332,1337 11.171,1338 0.118,1339 0.038,1340 10.653,1341 3.592,1342 8.931,1343 0.076,1344 0.02,1345 8.29,1346 2.322,1347 0.224,1348 113.574,1349 0.19,1350 34.129,1351 0.368,1352 198,1353 807.051,1354 232.791,1355 698.812,1356 928.18,1357 650,1358 230,1359 666.513,1360 258.835,1361 654.976,1362 974.7,1363 614,1364 6.979}
{0 CHEMBL1079810,1 1.725,2 14.737,3 4.698,4 22.072,5 136.738,6 8.626,7 0.667,8 4.223,9 4.341,10 3.904,11 3.749,12 5.45,13 3.772,14 4.737,15 4.894,16 4.327,17 4.123,18 6.32,19 4.136,20 4.92,21 5.1,22 4.304,23 4.251,24 6.146,25 4.227,26 5.045,27 5.267,28 4.311,29 4.219,30 6.267,31 4.204,32 5.011,33 5.222,34 4.309,35 4.221,36 6.297,37 4.212,38 5.016,39 5.218,40 4.244,41 4.274,42 6.202,43 4.228,44 5.03,45 5.256,46 4.286,47 4.249,48 6.44,49 4.197,50 4.927,51 5.146,52 4.119,53 4.206,54 6.039,55 4.136,56 0.175,57 1.164,58 8.813,59 4.849,60 20.154,61 5.443,62 1.004,63 2.157,64 18.753,65 7.883,66 134.192,67 9.012,68 0.563,69 2.045,70 23.104,71 10.2,72 42.193,73 12.24,74 0.824,75 2.209,76 32.155,77 11.307,78 90.999,79 13.978,80 1.032,81 2.127,82 29.804,83 9.668,84 87.193,85 11.465,86 0.761,87 2.074,88 28.923,89 11.635,90 88.586,91 13.999,92 1.245,93 1.983,94 32.343,95 11.27,96 161.698,97 15.1,98 0.694,99 1.854,100 27.519,101 11.202,102 66.709,103 14.302,104 27,105 60,106 0.274,107 0.599,108 0.764,109 0.859,110 0.875,111 0.885,112 3.668,113 0.825,114 -4.78,115 -4.7,116 -4.41,118 45,123 1,124 1,130 1,138 10,139 3,140 2,141 3,142 1,143 1,147 2,154 1,156 1,167 10,170 2,171 4,173 2,174 1,175 4,178 9,181 4,182 6,186 4,188 4,192 9,197 6,203 1,204 13,206 1,208 4,215 10,218 1,220 2,223 5,227 2,228 2,231 2,235 12,239 3,240 1,243 2,247 13,251 1,252 3,255 1,257 1,260 7,264 2984,265 25.366,266 25.366,267 25.366,268 25.366,269 25.366,270 22.01,271 26.405,272 14.937,273 26.098,274 20.811,275 20.811,276 20.811,277 20.811,278 20.811,279 15.725,280 40.13,281 7.171,282 22.073,283 4.182,284 2.128,285 1.091,286 0.492,287 0.392,288 0.325,289 4.37,294 1,295 1217,296 4.416,299 94.915,300 487.943,303 166.403,307 2.33,308 49.909,311 0.75,312 0.83,313 0.83,314 0.5,316 0.83,317 1,318 0.68,319 85,320 560,321 4.602,322 4.46,323 7.116,324 4.18,325 3.32,326 4.529,327 3.825,328 11.69,329 2.989,330 4.453,331 3.563,332 6.711,333 4.122,334 3.187,335 3.87,336 1.656,337 10.91,338 2.898,339 4.181,340 3.297,341 6.13,342 3.792,343 2.819,344 3.804,345 0.916,346 9.041,347 2.734,348 3.934,349 2.889,350 5.724,351 3.58,352 2.621,353 3.459,354 0.247,355 7.748,356 2.519,357 3.892,358 2.744,359 5.568,360 3.538,361 2.578,362 3.19,363 0.172,364 7.621,365 2.452,366 3.686,367 2.585,368 5.335,369 3.297,370 2.338,371 3.07,373 6.942,374 2.223,375 3.624,376 2.409,377 5.301,378 3.205,379 2.271,380 2.975,382 6.696,383 2.106,384 3.38,385 2.325,386 4.76,387 2.931,388 1.947,389 2.617,391 5.307,392 1.893,393 2.954,394 1.844,395 4.484,396 2.48,397 1.547,398 2.136,400 4.339,401 1.439,402 2.941,403 1.644,404 4.41,405 2.476,406 1.529,407 2.116,409 4.093,410 1.436,411 2.858,412 1.531,413 4.272,414 2.385,415 1.417,416 1.972,417 3.865,418 1.354,419 2.674,420 1.374,421 3.63,422 2.2,423 1.269,424 1.747,425 2.949,426 1.18,427 2.581,428 1.189,429 3.502,430 2.134,431 1.158,432 1.606,433 2.592,434 1.127,435 2.57,436 1.181,437 3.484,438 2.092,439 1.111,440 1.6,441 2.531,442 1.078,443 2.5,444 1,445 3.447,446 1.984,447 1,448 1.5,449 2.34,450 0.983,451 17.49,452 0.46,453 1.086,454 0.029,455 55,456 1.447,457 29,458 0.763,459 26,460 0.684,461 28.774,462 0.757,463 40.11,464 0.668,465 48.684,466 1.281,467 11.278,468 0.297,469 6.98,470 0.184,471 0.097,472 0.029,473 0.303,476 3,478 0.636,479 1.132,480 0.635,481 1.04,482 0.578,483 0.885,484 0.497,485 0.798,486 0.734,487 0.875,488 0.381,489 0.872,490 0.684,491 0.969,492 0.935,493 1.137,494 0.602,495 1.126,496 0.989,497 1.096,498 0.943,499 1.032,500 0.886,501 0.978,502 1.012,503 0.742,504 1.076,505 0.799,506 0.918,507 0.895,508 0.883,509 0.943,510 1.081,511 1.116,512 0.869,513 1.153,514 0.419,515 0.575,516 0.824,517 0.809,518 0.373,519 0.912,520 0.592,521 0.732,522 0.958,523 1,524 0.59,525 1.08,526 9,527 0.234,528 3.778,529 2.563,530 2.128,531 1.469,532 0.89,533 0.516,534 0.464,535 0.292,536 24379,537 81871,538 2.091,539 36.7,541 15,542 2,543 3,544 2,549 1.787,550 1.957,551 3.819,552 0.201,558 103.518,559 1.725,560 3.779,561 4.815,562 5.415,563 5.515,564 5.582,565 3.281,566 4.912,567 5.219,568 4.036,569 2837.02,570 9.189,571 48279.7,576 354.413,577 1.514,578 5.174,579 0.214,580 0.006,581 0.063,582 0.043,583 0.037,584 0.025,585 0.016,586 0.009,587 0.009,588 0.007,589 0.43,590 0.17,591 0.75,592 0.661,593 212.885,594 -0.061,595 -0.182,596 0.033,597 -0.079,598 -0.094,599 -0.012,600 0.366,601 0.246,602 0.076,603 0.07,604 0.405,605 0.002,606 -0.028,607 -0.118,608 -0.1,609 -0.181,610 -0.008,611 -0.175,612 -0.11,613 -0.187,614 0.043,615 -0.07,616 -0.047,617 0.016,618 -0.112,619 0.144,620 -0.133,621 0.107,622 -0.068,623 0.024,624 -0.112,625 -0.083,626 -0.165,627 -0.134,628 -0.109,629 -0.157,630 0.297,631 0.187,632 0.143,633 0.145,634 0.304,635 0.105,636 0.031,637 0.054,638 -0.035,639 -0.009,640 -0.022,641 -0.039,642 5.753,643 5.505,644 0.711,645 47.687,646 1.026,647 1.141,648 3.553,649 12.623,650 0.686,651 3.761,652 4.111,653 4.344,654 4.615,655 4.836,656 4.913,657 5.1,658 5.187,659 5.293,660 5.407,661 8.709,662 0.679,663 517.56,664 3.761,665 5.323,666 6.168,667 7.055,668 7.918,669 8.807,670 9.678,671 10.569,672 11.446,673 12.337,674 11.7,680 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,711 1,716 60,718 29,719 2,720 42,722 64,723 27,724 23,725 4,726 8,728 5,729 6,731 1,732 1,737 1,740 24,741 3,744 1,749 1,753 1,758 3,760 22,761 10,762 2,763 11,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,823 1,825 3,827 38,833 1,834 2,838 1,839 1,849 3,850 1.7,853 1,858 19.417,859 11.095,860 8.111,861 3.289,863 5.039,864 1.591,865 1.024,866 7.103,867 13.567,868 4.06,869 4.689,870 5.267,871 5.881,872 6.415,873 6.7,874 7.178,875 7.582,876 7.912,877 8.325,878 0.9,879 59,880 14.478,881 6.67,882 8.099,883 25.846,884 20.99,885 2.599,886 98.75,890 235.422,891 184.407,892 90.789,894 25.145,895 44.88,897 184.407,898 260.567,899 135.669,900 8.396,901 38.127,902 112.857,903 112.53,904 94.26,905 30.146,906 176.567,907 7.76,908 235.422,909 275.196,910 70.025,913 235.422,914 70.025,917 78.788,918 146.052,919 50.357,921 280.302,922 115.934,923 184.407,926 243.182,927 28.252,928 152.807,929 36.022,930 120.382,931 235.422,932 160.814,933 184.407,935 0.589,936 0.33,937 0.178,938 0.097,939 29,940 13,941 0.094,942 6,943 1,944 1.074,945 4.801,946 372.753,947 0.074,948 27,949 190.666,954 25.405,955 10.624,956 6.023,957 0.694,958 159.528,959 24.186,960 13.353,964 2.754,966 36.022,967 580.643,968 57,973 12.505,977 -0.669,980 61.53,981 68.453,983 0.292,984 0.64,985 0.815,986 0.917,987 0.934,988 0.945,989 5.303,990 1.947,991 6.18,992 6.696,993 4.796,994 5.378,995 3.301,996 7.009,997 4.682,998 6.532,999 1.547,1000 7.753,1001 5.307,1002 4.511,1003 5.182,1004 3.956,1005 8.072,1006 4.254,1007 7.849,1008 1.529,1009 9.434,1010 4.339,1011 6.444,1012 7.593,1013 5.468,1014 11.109,1015 6.193,1016 9.201,1017 1.417,1018 11.181,1019 4.093,1020 6.957,1021 8.198,1022 6.702,1023 12.994,1024 6.545,1025 10.583,1026 1.269,1027 12.972,1028 3.865,1029 8.401,1030 10.099,1031 8.066,1032 15.602,1033 7.977,1034 11.987,1035 1.158,1036 14.795,1037 2.949,1038 9.271,1039 11.109,1040 9.391,1041 17.814,1042 8.69,1043 13.409,1044 1.111,1045 16.64,1046 2.592,1047 10.532,1048 12.78,1049 10.736,1050 20.294,1051 9.908,1052 3.32,1053 1,1054 18.504,1055 2.531,1056 11.565,1057 14.013,1058 12.075,1059 22.637,1060 10.799,1061 3.187,1062 11.69,1063 20.383,1064 2.34,1065 12.76,1066 15.577,1067 13.417,1068 25.081,1069 11.924,1070 2.819,1071 10.91,1072 22.273,1073 4.529,1074 13.868,1075 16.932,1076 14.758,1077 27.478,1078 12.902,1079 2.621,1080 9.041,1081 24.173,1082 3.87,1083 15.043,1084 18.45,1085 16.1,1086 29.914,1087 13.989,1088 2.578,1089 7.748,1090 26.08,1091 3.804,1092 16.187,1093 19.871,1094 17.441,1095 32.335,1096 15.011,1097 2.338,1098 7.621,1099 27.995,1100 3.459,1101 17.359,1102 21.371,1103 18.783,1104 34.771,1105 16.084,1106 2.271,1107 6.942,1108 29.915,1109 3.19,1110 18.521,1111 22.829,1112 20.124,1113 37.202,1114 17.13,1115 22897,1116 42279,1117 28.027,1118 41.159,1119 64.411,1120 63.911,1121 63.96,1122 63.443,1123 63.251,1124 84.829,1125 13.635,1126 184.433,1127 59.67,1128 5.474,1129 6.46,1130 6.918,1131 5.252,1132 5.32,1133 7.529,1134 5.335,1135 18.879,1136 4.989,1137 19.196,1138 1.534,1139 1.522,1140 1.523,1141 1.511,1142 1.506,1143 2.02,1144 0.325,1145 4.391,1146 1.421,1147 4.133,1148 4.184,1149 4.106,1150 3.979,1151 8.513,1152 4.002,1153 3.951,1154 3.984,1155 3.911,1156 3.854,1157 7.999,1158 3.86,1159 3.882,1160 3.923,1161 3.823,1162 3.791,1163 7.999,1164 3.795,1165 3.862,1166 3.899,1167 3.805,1168 3.75,1169 7.431,1170 3.761,1171 3.472,1172 3.542,1173 3.45,1174 3.223,1175 5.108,1176 3.252,1177 3.449,1178 3.511,1179 3.346,1180 3.181,1181 4.896,1182 3.223,1183 3.288,1184 3.337,1185 3.27,1186 3.074,1187 4.754,1188 3.095,1189 3.206,1190 3.261,1191 3.129,1192 2.97,1193 4.704,1194 3.012,1195 0.11,1196 0.106,1197 0.169,1198 0.1,1199 0.079,1200 4.602,1201 0.108,1202 4.46,1203 0.091,1204 7.116,1205 0.278,1206 4.18,1207 0.071,1208 3.32,1209 4.529,1210 3.825,1211 11.69,1212 2.989,1213 1.969,1214 1.937,1215 2.047,1216 2.111,1217 1.169,1218 2.09,1219 1.904,1220 1.877,1221 2,1222 2.02,1223 1.11,1224 2.012,1225 1.86,1226 1.822,1227 1.982,1228 1.981,1229 1.096,1230 1.984,1231 1.741,1232 1.695,1233 1.828,1234 1.903,1235 0.916,1236 1.89,1237 1.434,1238 1.367,1239 1.653,1240 1.666,1241 0.712,1242 1.665,1243 1.296,1244 1.246,1245 1.495,1246 1.603,1247 0.471,1248 1.547,1249 1.263,1250 1.188,1251 1.403,1252 1.51,1253 0.425,1254 1.508,1255 1.078,1256 1.039,1257 1.298,1258 1.407,1259 0.362,1260 1.322,1261 4.443,1263 5.784,1264 2.398,1265 7.306,1266 4.595,1267 8.91,1268 6.605,1269 10.559,1271 1.928,1273 38.93,1277 0.596,1278 5.107,1282 1.992,1283 -4.503,1289 40.756,1290 103.518,1291 226.716,1292 288.929,1293 324.904,1294 330.904,1295 334.904,1296 75.722,1297 8.528,1298 87.45,1299 87.45,1300 29,1301 12.868,1302 4.907,1303 4,1304 59.196,1305 198,1306 187,1307 0.142,1308 246.964,1309 426.4,1310 594.352,1311 73995,1312 5,1313 26.7,1314 0.703,1315 0.53,1316 24.2,1317 20.146,1318 18.258,1319 0.435,1320 0.275,1321 11.326,1322 17.365,1323 11.125,1324 9.215,1325 17.047,1326 11.556,1327 17.432,1328 0.291,1329 0.143,1330 15.474,1331 8.558,1332 13.578,1333 0.179,1334 0.076,1335 12.615,1336 5.751,1337 11.595,1338 0.116,1339 0.04,1340 11.077,1341 3.97,1342 9.292,1343 0.074,1344 0.021,1345 8.652,1346 2.605,1347 0.227,1348 115.79,1349 0.189,1350 34.744,1351 0.377,1352 204,1353 788.96,1354 237.274,1355 688.833,1356 917.68,1357 640,1358 238,1359 662.524,1360 265.791,1361 655.024,1362 972.86,1363 613,1364 7.161}
{0 CHEMBL1079846,1 1.785,2 14.872,3 4.328,4 18.733,5 138.966,6 8.747,7 0.651,8 4.247,9 4.36,10 3.934,11 3.753,12 5.491,13 3.786,14 4.755,15 4.902,16 4.349,17 4.119,18 6.348,19 4.143,20 4.924,21 5.098,22 4.34,23 4.236,24 6.18,25 4.229,26 5.025,27 5.226,28 4.322,29 4.204,30 6.285,31 4.203,32 5.026,33 5.24,34 4.315,35 4.186,36 6.321,37 4.181,38 4.995,39 5.193,40 4.333,41 4.207,42 6.309,43 4.198,44 4.993,45 5.183,46 4.369,47 4.219,48 6.524,49 4.212,50 4.998,51 5.211,52 4.175,53 4.213,54 6.214,55 4.17,56 0.231,57 1.168,58 8.771,59 4.931,60 23.228,61 5.327,62 1.091,63 2.142,64 18.812,65 8.108,66 143.117,67 8.86,68 0.702,69 2.017,70 22.974,71 10.039,72 50.92,73 11.744,74 0.937,75 2.165,76 29.497,77 10.829,78 92.626,79 12.584,80 1.202,81 2.07,82 30.969,83 9.973,84 105.978,85 12.176,86 1.179,87 1.967,88 29.423,89 10.768,90 113.226,91 12.996,92 1.313,93 2.069,94 28.112,95 10.264,96 168.607,97 12.299,98 1.134,99 2.064,100 30.988,101 11.726,102 127.563,103 13.219,104 30,105 61,106 0.282,107 0.626,108 0.796,109 0.882,110 0.888,111 0.888,112 3.693,113 0.816,114 -4.04,115 -3.99,116 -3.78,118 44.3,123 1,124 1,130 1,138 9,139 3,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 9,170 1,171 4,173 3,174 1,175 4,178 7,181 2,182 6,184 3,186 6,188 3,192 8,197 6,203 1,204 11,206 3,208 6,215 9,218 1,220 3,223 3,227 2,228 3,231 1,232 1,233 1,235 10,239 3,240 3,243 2,247 12,252 3,255 1,256 1,257 1,260 7,264 3120,265 26.236,266 26.236,267 26.236,268 26.236,269 26.236,270 22.855,271 28.435,272 15.403,273 27.097,274 21.225,275 21.225,276 21.225,277 21.225,278 21.225,279 16.02,280 42.314,281 7.286,282 22.601,283 4.146,284 1.975,285 0.898,286 0.353,287 0.32,288 0.32,289 4.396,294 1,295 1256,296 4.359,299 98.345,300 501.682,303 171.496,307 2.394,308 55.599,311 0.75,312 0.67,313 0.83,314 0.5,316 0.83,317 1,318 0.65,319 88,320 580,321 4.574,322 4.461,323 7.119,324 4.197,325 3.329,326 4.516,327 3.825,328 11.708,329 2.958,330 4.488,331 3.572,332 6.573,333 4.073,334 3.133,335 4.008,336 1.656,337 10.48,338 2.945,339 4.179,340 3.171,341 6.154,342 3.789,343 2.845,344 3.804,345 0.86,346 9.102,347 2.699,348 4.088,349 3.04,350 6.109,351 3.724,352 2.768,353 3.446,354 0.657,355 8.957,356 2.565,357 3.898,358 2.803,359 5.444,360 3.506,361 2.521,362 3.371,363 0.247,364 7.223,365 2.483,366 3.751,367 2.723,368 5.367,369 3.388,370 2.426,371 3.12,373 7.012,374 2.321,375 3.486,376 2.331,377 5.191,378 3.014,379 2.086,380 2.853,382 6.259,383 1.966,384 3.419,385 2.185,386 4.866,387 2.99,388 2.014,389 2.674,391 5.573,392 1.917,393 2.945,394 2.079,395 4.63,396 2.531,397 1.631,398 2.134,400 4.782,401 1.452,402 2.941,403 1.783,404 4.402,405 2.471,406 1.51,407 2.09,409 4.198,410 1.422,411 2.92,412 1.599,413 4.197,414 2.431,415 1.498,416 2.053,417 3.699,418 1.394,419 2.822,420 1.531,421 3.784,422 2.355,423 1.376,424 1.932,425 3.186,426 1.34,427 2.658,428 1.201,429 3.59,430 2.151,431 1.175,432 1.73,433 2.676,434 1.145,435 2.5,436 1.052,437 3.47,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.5,444 1.006,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.824,452 0.457,453 1.048,454 0.027,455 56.25,456 1.442,457 29.5,458 0.756,459 26.75,460 0.686,461 29.609,462 0.759,463 41.576,464 0.682,465 50.477,466 1.294,467 11.613,468 0.298,469 7.183,470 0.184,471 0.095,472 0.028,473 0.303,476 3,478 0.686,479 1.117,480 0.637,481 1.043,482 0.593,483 0.873,484 0.599,485 0.816,486 0.747,487 0.896,488 0.419,489 0.88,490 0.718,491 0.953,492 0.899,493 1.091,494 0.618,495 1.07,496 1.071,497 1.163,498 1.042,499 1.123,500 0.956,501 1.078,502 0.887,503 0.766,504 1.004,505 0.843,506 0.899,507 0.914,508 0.775,509 0.897,510 0.88,511 0.949,512 0.827,513 0.946,514 0.686,515 0.762,516 0.914,517 0.894,518 0.68,519 0.961,520 1.129,521 0.853,522 1.202,523 0.915,524 1.174,525 1.039,526 9,527 0.246,528 4.222,529 2.25,530 2.231,531 1.472,532 1.013,533 0.493,534 0.465,535 0.317,536 26122,537 89540,538 2.088,539 36.1,541 14,542 2,543 3,544 3,549 1.794,550 1.958,551 3.837,552 0.824,558 108.879,559 1.785,560 3.956,561 5.032,562 5.578,563 5.611,564 5.611,565 3.277,566 5.061,567 5.258,568 4.055,569 3005.12,570 9.269,571 52413.5,576 361.775,577 1.496,578 5.213,579 0.209,580 0.006,581 0.069,582 0.037,583 0.038,584 0.026,585 0.017,586 0.008,587 0.009,588 0.007,589 0.427,590 0.33,591 0.75,592 0.735,593 220.384,594 -0.08,595 -0.161,596 0.026,597 -0.069,598 -0.1,600 0.297,601 0.224,602 0.063,603 0.066,604 0.381,605 -0.001,606 -0.025,607 -0.094,608 -0.062,609 -0.132,610 -0.006,611 -0.122,612 -0.163,613 -0.22,614 -0.087,615 -0.159,616 -0.092,617 -0.108,618 -0.008,619 0.102,620 -0.033,621 0.075,622 -0.039,623 0.038,624 0.088,625 -0.033,626 0.072,627 0.023,628 0.018,629 0.043,630 0.197,631 0.129,632 0.014,633 0.055,634 0.26,635 -0.012,636 -0.155,637 0.159,638 -0.214,639 0.095,640 -0.192,641 -0.029,642 5.817,643 5.671,644 0.692,645 49.026,646 1.03,647 1.142,648 2.814,649 7.918,650 0.682,651 3.784,652 4.127,653 4.369,654 4.625,655 4.852,656 4.963,657 5.112,658 5.165,659 5.293,660 5.398,661 8.871,662 0.68,663 533.56,664 3.784,665 5.342,666 6.188,667 7.072,668 7.936,669 8.822,670 9.693,671 10.582,672 11.457,673 12.346,674 11.5,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,714 1,716 61,718 29,719 2,720 43,722 65,723 27,724 23,725 5,726 7,728 5,729 6,731 1,732 1,737 1,740 24,741 3,744 1,749 1,753 1,758 3,760 22,761 11,762 3,763 12,766 1,769 7,775 0.8,776 2,784 1,787 1,793 1,794 4,797 1,819 4,823 1,825 3,827 39,833 1,834 3,835 1,839 1,849 3,850 3.3,853 1,855 1,858 19.917,859 11.229,860 8.444,861 3.286,863 5.141,864 1.597,865 1.019,866 7.572,867 13.749,868 4.078,869 4.707,870 5.293,871 5.893,872 6.431,873 6.73,874 7.167,875 7.552,876 7.893,877 8.293,878 0.9,879 61,880 14.887,881 6.873,882 8.126,883 26.373,884 21.264,885 2.626,886 102.417,890 223.651,891 182.661,892 105.675,894 36.145,895 44.88,897 182.661,898 259.796,899 150.556,900 10.883,901 38.127,902 103.381,903 130.541,904 107.379,905 30.146,906 164.795,907 7.76,908 223.651,909 288.336,910 81.025,913 223.651,914 81.025,917 78.788,918 141.182,919 68.367,921 268.531,922 141.82,923 182.661,926 231.41,927 33.495,928 142.693,929 54.032,930 131.382,931 223.651,932 186.7,933 182.661,935 0.585,936 0.333,937 0.177,938 0.097,939 29,940 13,941 0.108,942 7,943 1,944 1.074,945 4.884,946 384.25,947 0.074,948 27,949 197.376,954 26.327,955 11.218,956 6.241,957 0.65,958 185.414,959 22.289,960 13.142,964 2.395,966 54.032,967 593.012,968 58,973 12.671,977 -0.734,980 62.858,981 69.663,983 0.301,984 0.667,985 0.849,986 0.941,987 0.946,988 0.946,989 5.318,990 2.014,991 6.196,992 6.259,993 4.812,994 5.396,995 3.332,996 7.024,997 4.693,998 6.546,999 1.631,1000 7.769,1001 5.573,1002 4.511,1003 5.223,1004 3.949,1005 8.089,1006 4.26,1007 7.866,1008 1.51,1009 9.45,1010 4.782,1011 6.46,1012 7.624,1013 5.471,1014 11.113,1015 6.207,1016 9.222,1017 1.498,1018 11.196,1019 4.198,1020 6.967,1021 8.256,1022 6.701,1023 12.994,1024 6.563,1025 10.608,1026 1.376,1027 12.985,1028 3.699,1029 8.414,1030 10.141,1031 8.066,1032 15.586,1033 7.994,1034 12.016,1035 1.175,1036 14.805,1037 3.186,1038 9.279,1039 11.169,1040 9.391,1041 17.788,1042 8.712,1043 13.44,1044 1,1045 16.648,1046 2.676,1047 10.539,1048 12.829,1049 10.736,1050 20.253,1051 9.927,1052 3.329,1053 1,1054 18.507,1055 2.381,1056 11.567,1057 14.068,1058 12.075,1059 22.586,1060 10.82,1061 3.133,1062 11.708,1063 20.381,1064 2.2,1065 12.759,1066 15.624,1067 13.417,1068 25.018,1069 11.943,1070 2.845,1071 10.48,1072 22.266,1073 4.516,1074 13.862,1075 16.979,1076 14.758,1077 27.407,1078 12.921,1079 2.768,1080 9.102,1081 24.161,1082 4.008,1083 15.033,1084 18.489,1085 16.1,1086 29.835,1087 14.006,1088 2.521,1089 8.957,1090 26.063,1091 3.804,1092 16.173,1093 19.906,1094 17.441,1095 32.25,1096 15.028,1097 2.426,1098 7.223,1099 27.973,1100 3.446,1101 17.341,1102 21.4,1103 18.783,1104 34.682,1105 16.099,1106 2.086,1107 7.012,1108 29.888,1109 3.371,1110 18.499,1111 22.851,1112 20.124,1113 37.112,1114 17.143,1115 24580,1116 45798,1117 28.72,1118 41.614,1119 65.284,1120 65.306,1121 65.397,1122 64.57,1123 64.416,1124 86.208,1125 14.492,1126 187.405,1127 60.529,1128 5.453,1129 6.461,1130 6.921,1131 5.268,1132 5.329,1133 7.516,1134 5.335,1135 18.714,1136 4.958,1137 19.597,1138 1.518,1139 1.519,1140 1.521,1141 1.502,1142 1.498,1143 2.005,1144 0.337,1145 4.358,1146 1.408,1147 4.129,1148 4.181,1149 4.102,1150 3.976,1151 8.513,1152 3.998,1153 3.961,1154 3.988,1155 3.929,1156 3.855,1157 7.999,1158 3.866,1159 3.879,1160 3.919,1161 3.821,1162 3.787,1163 7.999,1164 3.791,1165 3.862,1166 3.899,1167 3.803,1168 3.75,1169 7.431,1170 3.761,1171 3.473,1172 3.517,1173 3.459,1174 3.198,1175 5.115,1176 3.246,1177 3.367,1178 3.433,1179 3.326,1180 3.125,1181 4.898,1182 3.157,1183 3.336,1184 3.394,1185 3.251,1186 3.054,1187 4.843,1188 3.094,1189 3.193,1190 3.258,1191 3.096,1192 3.007,1193 4.742,1194 3.024,1195 0.106,1196 0.104,1197 0.166,1198 0.098,1199 0.077,1200 4.574,1201 0.105,1202 4.461,1203 0.089,1204 7.119,1205 0.272,1206 4.197,1207 0.069,1208 3.329,1209 4.516,1210 3.825,1211 11.708,1212 2.958,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.898,1220 1.878,1221 1.981,1222 2.023,1223 1.101,1224 2.007,1225 1.855,1226 1.817,1227 1.973,1228 1.978,1229 1.089,1230 1.98,1231 1.737,1232 1.691,1233 1.819,1234 1.902,1235 0.907,1236 1.887,1237 1.401,1238 1.341,1239 1.573,1240 1.614,1241 0.579,1242 1.603,1243 1.291,1244 1.247,1245 1.56,1246 1.605,1247 0.577,1248 1.552,1249 1.22,1250 1.164,1251 1.421,1252 1.553,1253 0.458,1254 1.54,1255 1.155,1256 1.072,1257 1.394,1258 1.423,1259 0.357,1260 1.423,1261 4.466,1263 5.802,1264 2.398,1265 7.323,1266 4.595,1267 8.928,1268 6.605,1269 10.577,1271 1.305,1273 39.437,1277 0.516,1278 8.381,1279 5.094,1283 -4.567,1289 41.47,1290 108.879,1291 241.313,1292 306.981,1293 340.265,1294 342.265,1295 342.265,1296 81.552,1297 8.608,1298 105.47,1299 105.47,1300 29,1301 12.879,1302 4.907,1303 4,1304 61.55,1305 210,1306 204,1307 0.14,1308 250.96,1309 435.19,1310 604.103,1311 82513,1312 4.9,1313 27.407,1314 0.703,1315 0.526,1316 24.907,1317 20.529,1318 18.796,1319 0.437,1320 0.272,1321 11.443,1322 17.787,1323 11.268,1324 9.32,1325 17.585,1326 11.701,1327 17.601,1328 0.289,1329 0.138,1330 15.644,1331 8.415,1332 14.025,1333 0.18,1334 0.074,1335 13.062,1336 5.775,1337 11.766,1338 0.116,1339 0.039,1340 11.214,1341 3.899,1342 9.368,1343 0.074,1344 0.02,1345 8.915,1346 2.534,1347 0.225,1348 119.928,1349 0.187,1350 35.483,1351 0.371,1352 208,1353 833.383,1354 243.792,1355 723.983,1356 963.41,1357 674,1358 243,1359 692.294,1360 273.004,1361 682.47,1362 1013.56,1363 639,1364 7.367}
{0 CHEMBL1079850,1 1.788,2 14.789,3 4.55,4 20.703,5 132.719,6 9.149,7 0.667,8 4.188,9 4.301,10 3.908,11 3.711,12 5.468,13 3.749,14 4.692,15 4.832,16 4.338,17 4.082,18 6.347,19 4.112,20 4.892,21 5.072,22 4.321,23 4.183,24 6.224,25 4.184,26 4.963,27 5.172,28 4.279,29 4.115,30 6.29,31 4.128,32 4.915,33 5.124,34 4.285,35 4.076,36 6.345,37 4.096,38 4.877,39 5.065,40 4.298,41 4.114,42 6.444,43 4.122,44 4.879,45 5.072,46 4.287,47 4.143,48 6.419,49 4.13,50 4.858,51 5.063,52 4.129,53 4.136,54 6.08,55 4.095,56 0.269,57 1.205,58 7.017,59 4.544,60 32.762,61 4.589,62 1.038,63 2.203,64 14.632,65 7.544,66 144.089,67 7.745,68 0.828,69 2.122,70 21.035,71 9.664,72 78.058,73 10.755,74 1.096,75 2.177,76 27.387,77 10.263,78 137.804,79 11.239,80 1.257,81 1.997,82 26.308,83 8.757,84 144.689,85 9.858,86 1.344,87 2.286,88 23.755,89 9.461,90 204.578,91 10.179,92 1.213,93 1.879,94 23.466,95 9.278,96 158.25,97 11.157,98 0.893,99 1.879,100 23.39,101 10.133,102 100.615,103 11.687,104 27,105 60,106 0.286,107 0.622,108 0.793,109 0.887,110 0.892,111 0.892,112 3.668,113 0.806,114 -4.68,115 -4.6,116 -4.33,118 45.6,124 1,130 1,138 9,139 3,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 9,170 1,171 3,173 3,174 1,175 4,178 7,181 2,182 4,184 2,186 6,188 3,192 7,197 6,204 11,206 2,208 6,215 9,218 1,220 3,223 3,227 2,228 1,231 1,232 1,233 1,235 10,239 3,240 1,243 2,247 12,252 2,255 1,256 1,257 1,260 7,264 2958,265 25.366,266 25.366,267 25.366,268 25.366,269 25.366,270 21.932,271 25.846,272 14.883,273 26.106,274 20.788,275 20.788,276 20.788,277 20.788,278 20.788,279 15.594,280 38.127,281 7.136,282 22.094,283 4.045,284 1.945,285 0.878,286 0.294,287 0.259,288 0.259,289 4.37,294 1,295 1221,296 4.243,299 95.396,300 487.401,303 166.484,307 2.38,308 62.374,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 86.5,320 562,321 4.574,322 4.461,323 7.119,324 4.194,325 3.328,326 4.516,327 3.825,328 11.704,329 2.957,330 4.483,331 3.574,332 6.573,333 4.073,334 3.133,335 3.996,336 1.656,337 10.48,338 2.933,339 4.178,340 3.172,341 6.112,342 3.779,343 2.825,344 3.804,345 0.657,346 8.973,347 2.699,348 4.063,349 3.094,350 6.053,351 3.697,352 2.751,353 3.446,354 0.247,355 8.716,356 2.534,357 3.898,358 2.804,359 5.437,360 3.506,361 2.521,362 3.353,364 7.196,365 2.483,366 3.746,367 2.723,368 5.367,369 3.377,370 2.416,371 3.119,373 7.012,374 2.303,375 3.485,376 2.331,377 5.191,378 3.01,379 2.086,380 2.852,382 6.259,383 1.951,384 3.414,385 2.185,386 4.832,387 2.98,388 2,389 2.668,391 5.484,392 1.917,393 2.945,394 2.047,395 4.592,396 2.488,397 1.575,398 2.132,400 4.626,401 1.44,402 2.92,403 1.756,404 4.387,405 2.448,406 1.498,407 2.09,409 4.158,410 1.394,411 2.906,412 1.599,413 4.104,414 2.431,415 1.494,416 2.02,417 3.581,418 1.377,419 2.802,420 1.531,421 3.784,422 2.334,423 1.355,424 1.909,425 3.186,426 1.315,427 2.658,428 1.201,429 3.59,430 2.151,431 1.175,432 1.73,433 2.676,434 1.145,435 2.5,436 1.006,437 3.47,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.276,452 0.455,453 1.086,454 0.029,455 55,456 1.447,457 29,458 0.763,459 26,460 0.684,461 28.093,462 0.739,463 40.324,464 0.707,465 49.049,466 1.291,467 11.332,468 0.298,469 6.926,470 0.182,471 0.085,472 0.029,473 0.313,476 3,477 1,478 0.635,479 1.04,480 0.601,481 0.98,482 0.576,483 0.833,484 0.5,485 0.845,486 0.717,487 0.967,488 0.431,489 0.948,490 0.73,491 0.931,492 0.915,493 1.088,494 0.67,495 1.09,496 1.107,497 1.134,498 1.07,499 1.088,500 1.029,501 1.058,502 0.886,503 0.744,504 0.974,505 0.795,506 0.858,507 0.865,508 0.785,509 0.819,510 0.939,511 0.955,512 0.74,513 0.99,514 0.459,515 0.63,516 0.825,517 0.857,518 0.414,519 0.96,520 0.725,521 0.758,522 1.037,523 0.991,524 0.719,525 1.107,526 9,527 0.234,528 4.222,529 2.25,530 2.191,531 1.354,532 0.891,533 0.493,534 0.465,535 0.307,536 24623,537 89387,538 2.091,539 33.3,541 11,542 2,543 3,544 3,549 1.787,550 1.957,551 3.832,552 0.843,558 101.901,559 1.788,560 3.888,561 4.955,562 5.539,563 5.574,564 5.574,565 3.281,566 4.807,567 5.22,568 4.045,569 2843.58,570 9.19,571 48687.3,576 332.475,577 1.514,578 5.174,579 0.214,580 0.006,581 0.07,582 0.038,583 0.04,584 0.025,585 0.016,586 0.009,587 0.009,588 0.007,589 0.434,590 0.17,591 0.75,592 0.661,593 213.226,594 -0.076,595 -0.133,596 0.013,597 -0.037,598 -0.088,599 0.015,600 0.298,601 0.157,602 0.031,603 -0.023,604 0.317,605 -0.091,606 -0.023,607 -0.088,608 -0.059,609 -0.139,610 -0.007,611 -0.13,612 -0.178,613 -0.199,614 -0.076,615 -0.123,616 -0.12,617 -0.066,618 0.002,619 0.103,620 0.003,621 0.117,622 0.007,623 0.087,624 0.118,625 0.107,626 -0.007,627 0.013,628 0.165,629 -0.025,630 0.254,631 0.144,632 0.081,633 0.084,634 0.272,635 0.025,636 -0.028,637 0.057,638 -0.113,639 -0.007,640 -0.064,641 -0.071,642 5.926,643 6.018,644 0.711,645 47.615,646 1.038,647 1.147,648 3.455,649 11.936,650 0.69,651 3.761,652 4.111,653 4.344,654 4.595,655 4.828,656 4.92,657 5.056,658 5.147,659 5.278,660 5.375,661 8.775,662 0.695,663 521.52,664 3.761,665 5.323,666 6.168,667 7.052,668 7.914,669 8.8,670 9.67,671 10.557,672 11.431,673 12.319,674 12.3,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,715 1,716 57,718 29,719 2,720 42,722 61,723 26,724 23,725 5,726 7,728 5,729 6,731 1,732 1,737 1,740 24,741 2,744 1,749 1,753 1,758 4,760 19,761 11,762 3,763 12,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,825 4,827 38,833 1,834 3,839 1,849 4,850 1.8,853 1,858 19.417,859 10.205,860 8.111,861 3.114,863 5.106,864 1.597,865 1.035,866 7.059,867 13.654,868 4.06,869 4.698,870 5.277,871 5.877,872 6.417,873 6.704,874 7.138,875 7.546,876 7.887,877 8.283,878 0.9,879 59,880 14.647,881 6.962,882 8.261,883 25.485,884 20.746,885 2.761,886 104.917,890 188.338,891 175.656,892 105.675,894 25.145,895 59.84,897 175.656,898 213.483,899 165.516,901 38.127,902 103.381,903 130.541,904 100.257,905 45.106,906 129.482,907 7.76,908 188.338,909 281.331,910 84.985,913 203.298,914 70.025,917 78.788,918 134.176,919 68.367,921 248.178,922 130.82,923 175.656,926 196.097,927 37.373,928 131.81,929 54.032,930 135.342,931 188.338,932 190.661,933 175.656,935 0.59,936 0.331,937 0.173,938 0.096,939 29,940 13,941 0.098,942 6,943 1,944 1.074,945 4.824,946 370.726,947 0.074,948 27,949 188.666,954 25.343,955 10.584,956 5.996,957 0.625,958 189.374,959 20.832,960 13.054,964 0.428,966 54.032,967 554.654,968 57,973 12.444,977 -0.905,980 59.16,981 65.378,983 0.306,984 0.667,985 0.849,986 0.95,987 0.956,988 0.956,989 5.303,990 2,991 6.18,992 6.259,993 4.796,994 5.387,995 3.277,996 7.006,997 4.677,998 6.536,999 1.575,1000 7.753,1001 5.484,1002 4.511,1003 5.223,1004 3.949,1005 8.067,1006 4.251,1007 7.857,1008 1.498,1009 9.433,1010 4.626,1011 6.444,1012 7.618,1013 5.466,1014 11.089,1015 6.191,1016 9.214,1017 1.494,1018 11.179,1019 4.158,1020 6.957,1021 8.25,1022 6.701,1023 12.966,1024 6.545,1025 10.599,1026 1.355,1027 12.968,1028 3.581,1029 8.399,1030 10.135,1031 8.066,1032 15.561,1033 7.975,1034 12.007,1035 1.175,1036 14.787,1037 3.186,1038 9.266,1039 11.162,1040 9.391,1041 17.761,1042 8.688,1043 13.43,1044 1,1045 16.629,1046 2.676,1047 10.524,1048 12.822,1049 10.736,1050 20.229,1051 9.904,1052 3.328,1053 1,1054 18.489,1055 2.381,1056 11.553,1057 14.06,1058 12.075,1059 22.563,1060 10.793,1061 3.133,1062 11.704,1063 20.362,1064 2.2,1065 12.744,1066 15.617,1067 13.417,1068 24.997,1069 11.916,1070 2.825,1071 10.48,1072 22.248,1073 4.516,1074 13.848,1075 16.971,1076 14.758,1077 27.388,1078 12.891,1079 2.751,1080 8.973,1081 24.142,1082 3.996,1083 15.019,1084 18.482,1085 16.1,1086 29.818,1087 13.975,1088 2.521,1089 8.716,1090 26.046,1091 3.804,1092 16.159,1093 19.899,1094 17.441,1095 32.235,1096 14.994,1097 2.416,1098 7.196,1099 27.955,1100 3.446,1101 17.327,1102 21.393,1103 18.783,1104 34.668,1105 16.064,1106 2.086,1107 7.012,1108 29.871,1109 3.353,1110 18.486,1111 22.844,1112 20.124,1113 37.099,1114 17.106,1115 23107,1116 44376,1117 28.027,1118 39.336,1119 64.148,1120 64.364,1121 63.802,1122 63.525,1123 63.332,1124 85.149,1125 12.772,1126 184.68,1127 59.549,1128 5.45,1129 6.461,1130 6.921,1131 5.265,1132 5.328,1133 7.516,1134 5.335,1135 18.7,1136 4.957,1137 19.249,1138 1.527,1139 1.532,1140 1.519,1141 1.513,1142 1.508,1143 2.027,1144 0.304,1145 4.397,1146 1.418,1147 4.129,1148 4.181,1149 4.102,1150 3.975,1151 8.513,1152 3.998,1153 3.959,1154 3.99,1155 3.932,1156 3.853,1157 8.201,1158 3.865,1159 3.879,1160 3.919,1161 3.822,1162 3.787,1163 7.999,1164 3.791,1165 3.862,1166 3.9,1167 3.804,1168 3.75,1169 7.999,1170 3.761,1171 3.47,1172 3.515,1173 3.457,1174 3.197,1175 7.431,1176 3.244,1177 3.351,1178 3.431,1179 3.314,1180 3.118,1181 5.114,1182 3.151,1183 3.293,1184 3.34,1185 3.247,1186 3.03,1187 4.896,1188 3.059,1189 3.186,1190 3.246,1191 3.095,1192 2.966,1193 4.747,1194 3.008,1195 0.109,1196 0.106,1197 0.169,1198 0.1,1199 0.079,1200 4.574,1201 0.108,1202 4.461,1203 0.091,1204 7.119,1205 0.279,1206 4.194,1207 0.07,1208 3.328,1209 4.516,1210 3.825,1211 11.704,1212 2.957,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.895,1220 1.872,1221 1.98,1222 2.02,1223 1.092,1224 2.003,1225 1.855,1226 1.817,1227 1.968,1228 1.977,1229 1.084,1230 1.979,1231 1.737,1232 1.691,1233 1.819,1234 1.902,1235 0.907,1236 1.887,1237 1.401,1238 1.341,1239 1.56,1240 1.614,1241 0.579,1242 1.603,1243 1.287,1244 1.243,1245 1.421,1246 1.603,1247 0.458,1248 1.544,1249 1.156,1250 1.074,1251 1.394,1252 1.425,1253 0.357,1254 1.424,1255 1.06,1256 1.026,1257 1.181,1258 1.408,1259 0.247,1260 1.306,1261 4.443,1263 5.784,1264 2.398,1265 7.306,1266 4.595,1267 8.91,1268 6.605,1269 10.558,1273 52.898,1277 0.495,1278 7.915,1283 -4.676,1289 39.612,1290 101.901,1291 221.623,1292 282.436,1293 315.72,1294 317.72,1295 317.72,1296 88.603,1297 8.548,1298 96.24,1299 96.24,1300 29,1301 12.852,1302 4.907,1303 4,1304 59.194,1305 201,1306 195,1307 0.14,1308 238.57,1309 415.17,1310 573.87,1311 76634,1312 7,1313 26.7,1314 0.703,1315 0.513,1316 23.33,1317 19.499,1318 18.258,1319 0.435,1320 0.269,1321 11.036,1322 17.291,1323 10.926,1324 8.994,1325 16.636,1326 11.278,1327 17.41,1328 0.29,1329 0.137,1330 14.935,1331 8.194,1332 13.723,1333 0.181,1334 0.073,1335 12.211,1336 5.541,1337 11.357,1338 0.116,1339 0.038,1340 10.653,1341 3.714,1342 9.233,1343 0.074,1344 0.02,1345 8.29,1346 2.438,1347 0.225,1348 116.45,1349 0.189,1350 34.792,1351 0.371,1352 204,1353 871.759,1354 240.744,1355 739.8,1356 974.43,1357 686,1358 238,1359 695.082,1360 268.547,1361 678.518,1362 1009.55,1363 637,1364 6.398}
{0 CHEMBL1079960,1 1.71,2 14.73,3 4.065,4 16.522,5 135.021,6 8.089,7 0.537,8 4.265,9 4.395,10 3.888,11 3.764,12 5.41,13 3.775,14 4.821,15 4.991,16 4.314,17 4.168,18 6.32,19 4.157,20 5.074,21 5.301,22 4.275,23 4.296,24 6.173,25 4.239,26 5.126,27 5.377,28 4.247,29 4.219,30 6.264,31 4.175,32 5.031,33 5.274,34 4.221,35 4.146,36 6.252,37 4.122,38 4.954,39 5.169,40 4.186,41 4.174,42 6.118,43 4.144,44 4.986,45 5.195,46 4.265,47 4.222,48 6.399,49 4.175,50 4.992,51 5.217,52 4.102,53 4.238,54 6.039,55 4.154,56 0.165,57 1.21,58 11.261,59 5.256,60 24.583,61 6.485,62 0.996,63 2.234,64 23.444,65 9.139,66 147.785,67 11.597,68 0.662,69 2.143,70 33.669,71 12.106,72 66.44,73 16.511,74 0.833,75 2.179,76 38.917,77 12.029,78 99.985,79 16.538,80 1.027,81 1.984,82 35.161,83 9.844,84 100.331,85 13.572,86 0.733,87 1.909,88 30.134,89 10.04,90 88.97,91 12.95,92 1.165,93 1.914,94 30.582,95 10.184,96 157.337,97 14.087,98 0.692,99 1.907,100 30.929,101 11.625,102 65.847,103 15.538,104 18,105 58,106 0.271,107 0.627,108 0.776,109 0.856,110 0.871,111 0.881,112 3.642,113 0.877,114 -4.8,115 -4.71,116 -4.42,118 41.3,120 2,121 1,124 3,130 1,138 8,139 2,140 2,141 1,142 1,143 1,147 2,154 1,156 1,167 10,170 1,171 1,173 3,174 1,175 7,178 9,181 2,182 3,184 2,186 7,188 4,192 8,197 7,204 11,206 1,207 1,208 6,215 9,218 1,220 3,223 5,227 1,228 1,231 2,232 1,233 1,235 12,239 1,240 1,243 4,247 13,252 2,255 1,256 1,257 2,260 7,264 2817,265 24.866,266 24.866,267 24.866,268 24.866,269 24.866,270 22.236,271 30.408,272 14.724,273 25.558,274 20.327,275 20.327,276 20.327,277 20.327,278 20.327,279 16.253,280 44.401,281 7.075,282 21.526,283 4.267,284 2.026,285 1.084,286 0.583,287 0.488,288 0.425,289 4.347,294 1,295 1188,296 4.183,299 92.544,300 473.855,303 161.662,307 2.386,308 51.171,311 0.75,312 0.83,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.78,319 83,320 545,321 4.574,322 4.46,323 7.116,324 4.18,325 3.32,326 4.515,327 3.825,328 11.69,329 2.956,330 4.453,331 3.563,332 6.573,333 4.073,334 3.133,335 3.87,336 1.656,337 10.48,338 2.898,339 4.176,340 3.167,341 6.11,342 3.767,343 2.798,344 3.803,345 0.4,346 8.968,347 2.698,348 3.892,349 2.792,350 5.568,351 3.556,352 2.6,353 3.189,354 0.4,355 7.629,356 2.487,357 3.686,358 2.589,359 5.367,360 3.504,361 2.52,362 3.063,363 0.247,364 7.012,365 2.452,366 3.572,367 2.578,368 5.335,369 3.296,370 2.337,371 2.865,373 6.942,374 2.22,375 3.421,376 2.327,377 5.191,378 3.007,379 2.084,380 2.616,382 6.259,383 1.919,384 3.373,385 2.2,386 4.76,387 2.929,388 1.945,389 2.491,391 5.307,392 1.892,393 2.945,394 1.844,395 4.458,396 2.478,397 1.529,398 2.129,400 4.329,401 1.438,402 2.858,403 1.756,404 4.328,405 2.431,406 1.498,407 1.972,409 3.982,410 1.394,411 2.66,412 1.531,413 3.785,414 2.385,415 1.416,416 1.732,417 3.186,418 1.354,419 2.57,420 1.204,421 3.59,422 2.151,423 1.177,424 1.6,425 2.68,426 1.145,427 2.523,428 1.189,429 3.489,430 2.092,431 1.111,432 1.523,433 2.534,434 1.078,435 2.5,436 1.077,437 3.469,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.194,444 1.038,445 3.429,446 1.952,447 1,448 1.101,449 2.2,450 0.949,451 16.99,452 0.459,453 0.997,454 0.027,455 48.25,456 1.304,457 23,458 0.622,459 25.25,460 0.682,461 31.452,462 0.85,463 40.61,464 0.645,465 41.803,466 1.13,467 9.518,468 0.257,469 8.33,470 0.225,471 0.07,472 0.029,473 0.288,476 3,478 0.658,479 1.146,480 0.696,481 1.062,482 0.567,483 0.921,484 0.459,485 0.877,486 0.797,487 1.038,488 0.352,489 1.023,490 0.626,491 0.889,492 0.872,493 1.047,494 0.517,495 1.037,496 0.93,497 1.058,498 0.898,499 1.004,500 0.821,501 0.946,502 0.967,503 0.745,504 0.942,505 0.754,506 0.901,507 0.803,508 1.019,509 0.937,510 1.026,511 0.955,512 0.966,513 0.972,514 0.488,515 0.667,516 0.919,517 0.915,518 0.416,519 1.012,520 0.631,521 0.767,522 1.032,523 1.057,524 0.594,525 1.143,526 8.5,527 0.234,528 3.556,529 2.188,530 1.858,531 1.187,532 0.809,533 0.462,534 0.444,535 0.252,536 23292,537 71323,538 2.11,539 41.3,541 14,542 2,543 1,544 4,546 5,549 1.78,550 1.991,551 3.828,552 1.525,558 107.739,559 1.71,560 3.952,561 4.894,562 5.394,563 5.489,564 5.553,565 3.287,566 4.757,567 5.18,568 4.039,569 2690.18,570 9.109,571 45354.2,576 376.569,577 1.444,578 5.144,579 0.207,580 0.006,581 0.061,582 0.039,583 0.035,584 0.023,585 0.016,586 0.009,587 0.009,588 0.006,589 0.411,591 0.75,592 0.629,593 206.273,594 -0.073,595 -0.136,596 0.027,597 -0.023,598 -0.075,599 0.024,600 0.366,601 0.179,602 0.042,603 -0.032,604 0.41,605 -0.082,606 0.007,607 -0.083,608 0.026,609 -0.072,610 0.043,611 -0.032,612 -0.074,613 -0.18,614 0.093,615 -0.044,616 -0.009,617 0.054,618 -0.05,619 0.114,620 0.043,621 0.155,622 -0.028,623 0.14,624 -0.161,625 -0.015,626 -0.105,627 0.014,628 -0.13,629 -0.01,630 0.267,631 0.183,632 -0.024,633 0.036,634 0.294,635 -0.057,636 -0.009,637 0.059,638 -0.145,639 -0.064,640 -0.043,641 -0.129,642 5.743,643 5.474,644 0.73,645 47.173,646 1.021,647 1.147,648 3.566,649 12.717,650 0.662,651 3.738,652 4.078,653 4.304,654 4.564,655 4.779,656 4.852,657 5.037,658 5.13,659 5.252,660 5.352,661 8.719,662 0.648,663 509.59,664 3.738,665 5.293,666 6.133,667 7.015,668 7.871,669 8.754,670 9.619,671 10.503,672 11.374,673 12.259,674 11.1,676 1,679 1,681 2,682 1,684 2,689 1,690 11,691 2,695 6,697 22,709 1,716 63,718 23,719 2,720 41,722 67,723 26,724 18,725 4,726 8,728 5,729 6,731 1,732 1,735 2,736 1,737 1,738 2,740 19,741 7,742 1,744 1,749 1,753 1,758 3,760 26,761 10,762 4,763 11,766 1,769 7,775 0.8,776 1,784 1,793 1,794 4,797 1,815 1,819 4,825 3,827 37,833 5,834 4,837 1,839 1,849 3,850 1.6,853 1,858 18.583,859 10.945,860 7.917,861 3.729,863 4.235,864 1.499,865 1.02,866 7.425,867 12.719,868 3.989,869 4.588,870 5.148,871 5.755,872 6.278,873 6.604,874 7.073,875 7.463,876 7.757,877 8.125,878 0.9,879 56,880 14.172,881 6.582,882 8.052,883 25.648,884 21.315,885 2.552,886 94.417,890 258.964,891 145.058,892 106.901,894 25.145,895 44.88,897 145.058,898 284.109,899 151.781,901 47.408,902 111.916,903 90.213,904 69.856,905 30.146,906 223.651,907 7.76,908 258.964,909 251.959,910 70.025,913 200.109,914 128.881,917 87.984,918 112.393,919 51.582,921 303.845,922 132.045,923 145.058,926 266.724,927 34.347,928 104.239,929 72.043,930 103.596,931 258.964,932 176.926,933 145.058,935 0.586,936 0.327,937 0.175,938 0.095,939 28,940 12,941 0.09,942 6,943 1,944 1.074,945 4.796,946 355.438,947 0.074,948 27,949 183.995,954 25.218,955 10.894,956 6.284,957 0.729,958 175.639,959 17.003,960 9.229,964 1.802,966 72.043,967 580.948,968 53,973 12.474,977 -0.654,980 64.298,981 72.284,983 0.286,984 0.661,985 0.819,986 0.902,987 0.918,988 0.929,989 5.239,990 1.945,991 6.138,992 6.259,993 4.762,994 5.276,995 3.269,996 6.954,997 4.651,998 6.449,999 1.529,1000 7.701,1001 5.307,1002 4.443,1003 5.103,1004 3.949,1005 8.003,1006 4.19,1007 7.762,1008 1.498,1009 9.373,1010 4.329,1011 6.399,1012 7.47,1013 5.465,1014 11.024,1015 6.154,1016 9.109,1017 1.416,1018 11.113,1019 3.982,1020 6.889,1021 8.119,1022 6.701,1023 12.906,1024 6.481,1025 10.49,1026 1.177,1027 12.898,1028 3.186,1029 8.344,1030 9.984,1031 8.065,1032 15.499,1033 7.926,1034 11.893,1035 1.111,1036 14.715,1037 2.68,1038 9.199,1039 11.036,1040 9.391,1041 17.71,1042 8.621,1043 13.315,1044 1,1045 16.557,1046 2.534,1047 10.464,1048 12.685,1049 10.736,1050 20.18,1051 9.844,1052 3.32,1053 1,1054 18.418,1055 2.381,1056 11.488,1057 13.948,1058 12.075,1059 22.522,1060 10.721,1061 3.133,1062 11.69,1063 20.294,1064 2.2,1065 12.683,1066 15.501,1067 13.417,1068 24.959,1069 11.846,1070 2.798,1071 10.48,1072 22.182,1073 4.515,1074 13.787,1075 16.874,1076 14.758,1077 27.355,1078 12.814,1079 2.6,1080 8.968,1081 24.081,1082 3.87,1083 14.96,1084 18.386,1085 16.1,1086 29.788,1087 13.898,1088 2.52,1089 7.629,1090 25.988,1091 3.803,1092 16.101,1093 19.817,1094 17.441,1095 32.208,1096 14.911,1097 2.337,1098 7.012,1099 27.902,1100 3.189,1101 17.271,1102 21.314,1103 18.783,1104 34.643,1105 15.979,1106 2.084,1107 6.942,1108 29.822,1109 3.063,1110 18.431,1111 22.776,1112 20.124,1113 37.075,1114 17.016,1115 21791,1116 38564,1117 27.622,1118 41.682,1119 62.127,1120 62.382,1121 61.735,1122 61.706,1123 61.527,1124 78.948,1125 13.057,1126 177.513,1127 58.128,1128 5.574,1129 6.46,1130 6.918,1131 5.251,1132 5.32,1133 7.515,1134 5.335,1135 18.668,1136 4.956,1137 17.049,1138 1.515,1139 1.522,1140 1.506,1141 1.505,1142 1.501,1143 1.926,1144 0.318,1145 4.33,1146 1.418,1147 4.129,1148 4.181,1149 4.101,1150 3.975,1151 8.513,1152 3.997,1153 3.951,1154 3.985,1155 3.911,1156 3.854,1157 7.999,1158 3.86,1159 3.871,1160 3.921,1161 3.817,1162 3.772,1163 7.999,1164 3.781,1165 3.849,1166 3.9,1167 3.717,1168 3.706,1169 7.431,1170 3.7,1171 3.47,1172 3.516,1173 3.45,1174 3.198,1175 5.112,1176 3.244,1177 3.378,1178 3.469,1179 3.293,1180 3.132,1181 4.755,1182 3.16,1183 3.285,1184 3.336,1185 3.244,1186 3.057,1187 4.704,1188 3.074,1189 3.206,1190 3.265,1191 3.111,1192 2.97,1193 4.456,1194 3.011,1195 0.112,1196 0.109,1197 0.174,1198 0.102,1199 0.081,1200 4.574,1201 0.11,1202 4.46,1203 0.093,1204 7.116,1205 0.285,1206 4.18,1207 0.072,1208 3.32,1209 4.515,1210 3.825,1211 11.69,1212 2.956,1213 1.967,1214 1.935,1215 2.07,1216 2.109,1217 1.436,1218 2.091,1219 1.903,1220 1.877,1221 2.036,1222 2.025,1223 1.148,1224 2.033,1225 1.848,1226 1.79,1227 1.998,1228 2.007,1229 1.098,1230 2.005,1231 1.737,1232 1.688,1233 1.826,1234 1.908,1235 0.931,1236 1.895,1237 1.406,1238 1.344,1239 1.595,1240 1.632,1241 0.825,1242 1.625,1243 1.289,1244 1.244,1245 1.513,1246 1.603,1247 0.785,1248 1.546,1249 1.231,1250 1.143,1251 1.485,1252 1.493,1253 0.495,1254 1.495,1255 1.153,1256 1.064,1257 1.404,1258 1.407,1259 0.369,1260 1.429,1261 4.419,1263 5.753,1264 2.398,1265 7.268,1266 4.595,1267 8.864,1268 6.605,1269 10.505,1273 38.877,1277 5.04,1278 11.952,1281 0.56,1283 -4.493,1289 40.809,1290 107.739,1291 248.951,1292 308.304,1293 339.814,1294 345.814,1295 349.814,1296 76.315,1297 8.484,1298 95.38,1299 95.38,1300 29,1301 12.794,1302 4.585,1303 3.7,1304 56.872,1305 193,1306 186,1307 0.139,1308 246.154,1309 427.92,1310 592.375,1311 71073,1312 4.8,1313 25.83,1314 0.698,1315 0.536,1316 23.33,1317 19.848,1318 17.847,1319 0.435,1320 0.292,1321 11.767,1322 16.99,1323 11.641,1324 9.59,1325 16.636,1326 11.99,1327 16.893,1328 0.291,1329 0.154,1330 14.935,1331 8.946,1332 13.174,1333 0.18,1334 0.086,1335 12.211,1336 6.255,1337 11.171,1338 0.118,1339 0.046,1340 10.653,1341 4.339,1342 8.931,1343 0.076,1344 0.025,1345 8.29,1346 2.919,1347 0.224,1348 113.12,1349 0.19,1350 34.129,1351 0.368,1352 198,1353 740.336,1354 230.914,1355 638.784,1356 849.59,1357 594,1358 230,1359 611.763,1360 256.792,1361 599.583,1362 896.16,1363 564,1364 4.301}
{0 CHEMBL1080000,1 1.519,2 14.382,3 3.889,4 15.12,5 131.57,6 7.887,7 0.737,8 4.156,9 4.282,10 3.78,11 3.717,12 5.319,13 3.712,14 4.633,15 4.796,16 4.121,17 4.089,18 5.789,19 4.062,20 4.852,21 5.05,22 4.118,23 4.192,24 5.928,25 4.13,26 4.903,27 5.135,28 4.061,29 4.124,30 5.948,31 4.056,32 4.861,33 5.096,34 4.043,35 4.068,36 5.956,37 4.023,38 4.777,39 4.976,40 4.065,41 4.103,42 5.889,43 4.059,44 4.829,45 5.044,46 4.086,47 4.151,48 5.932,49 4.089,50 4.831,51 5.045,52 3.98,53 4.131,54 5.902,55 4.047,56 0.036,57 0.904,58 10.257,59 4.428,60 8.462,61 5.683,62 0.268,63 1.415,64 18.354,65 7.279,66 24.321,67 9.672,68 0.297,69 1.672,70 24.996,71 9.475,72 35.056,73 12.64,74 0.213,75 1.685,76 28.515,77 9.994,78 38.483,79 13.95,80 0.422,81 1.606,82 28.388,83 8.878,84 52.645,85 11.971,86 0.277,87 1.528,88 23.728,89 8.385,90 37.535,91 11.046,92 0.335,93 1.596,94 25.643,95 9.485,96 42.242,97 12.932,98 0.418,99 1.566,100 25.905,101 9.642,102 44.989,103 12.863,104 5,105 52,106 0.243,107 0.581,108 0.755,109 0.851,110 0.864,111 0.87,112 3.56,113 0.857,114 -4.29,115 -4.22,116 -3.99,118 45.6,119 1,124 1,138 10,139 3,140 2,141 3,142 1,143 1,147 2,154 1,156 1,167 11,170 1,171 3,173 3,174 1,175 5,178 11,181 2,182 4,184 2,186 6,188 6,192 8,197 7,204 11,206 2,208 7,215 9,218 1,220 3,223 5,227 2,228 2,231 1,232 1,233 2,235 12,239 3,240 1,243 2,247 13,252 3,255 1,256 1,257 1,260 9,264 2282,265 23.394,266 23.394,267 23.394,268 23.394,269 23.394,270 19.922,271 23.86,272 14.05,273 23.835,274 18.835,275 18.835,276 18.835,277 18.835,278 18.835,279 13.665,280 35.649,281 6.777,282 19.55,283 4.314,284 2.205,285 1.114,286 0.518,287 0.434,288 0.399,289 4.271,294 1,295 1079,296 3.391,299 83.008,300 428.299,303 145.376,307 2.228,308 22.766,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 72.5,320 489,321 4.574,322 3.563,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.178,331 3.171,332 6.11,333 3.771,334 2.801,335 3.806,336 0.657,337 8.968,338 2.704,339 4.04,340 2.808,341 5.574,342 3.645,343 2.667,344 3.628,345 0.247,346 7.634,347 2.606,348 3.898,349 2.727,350 5.367,351 3.506,352 2.521,353 3.446,355 7.013,356 2.484,357 3.762,358 2.691,359 5.351,360 3.395,361 2.418,362 3.132,364 6.97,365 2.353,366 3.524,367 2.339,368 5.191,369 3.127,370 2.15,371 2.868,373 6.259,374 2.097,375 3.467,376 2.239,377 4.962,378 3.005,379 2.081,380 2.811,382 5.888,383 1.918,384 3.243,385 2.185,386 4.624,387 2.808,388 1.81,389 2.469,391 4.933,392 1.797,393 2.925,394 1.599,395 4.35,396 2.431,397 1.498,398 2.099,400 4.057,401 1.402,402 2.917,403 1.531,404 3.785,405 2.419,406 1.448,407 2.087,409 3.186,410 1.394,411 2.659,412 1.201,413 3.59,414 2.152,415 1.178,416 1.733,417 2.68,418 1.146,419 2.5,420 1.006,421 3.471,422 2,423 1,424 1.5,425 2.381,426 1,427 2.5,428 1,429 3.429,430 1.984,431 1,432 1.5,433 2.275,434 0.983,435 2.5,436 1,437 3.414,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.133,452 0.475,453 0.708,454 0.021,455 52,456 1.529,457 29,458 0.853,459 23,460 0.676,461 23.153,462 0.681,463 34.267,464 0.601,465 40.117,466 1.18,467 10.475,468 0.308,469 6.161,470 0.181,471 0.052,473 0.304,478 0.885,479 1.321,480 0.742,481 0.984,482 0.651,483 0.861,484 0.715,485 1.1,486 0.854,487 0.978,488 0.577,489 0.938,490 1.011,491 1.081,492 1.068,493 1.095,494 1.02,495 1.092,496 1.035,497 1.25,498 0.961,499 1.11,500 0.862,501 1.035,502 1.561,503 0.884,504 1.004,505 0.778,506 1.563,507 0.805,508 1.368,509 1.057,510 1.038,511 0.955,512 1.388,513 0.951,514 0.901,515 0.934,516 0.924,517 0.936,518 0.829,519 0.932,520 1.089,521 0.851,522 1.132,523 0.998,524 1.35,525 1.066,526 6.5,527 0.155,528 2.889,529 1.563,530 1.64,531 0.889,532 0.687,533 0.392,534 0.37,535 0.204,536 18811,537 48643,538 2.163,539 40.4,540 3,541 12,542 2,543 3,544 3,549 1.76,550 2.082,551 3.782,552 0.811,558 86.57,559 1.519,560 3.628,561 4.719,562 5.315,563 5.399,564 5.434,565 3.268,566 4.676,567 5.055,568 3.95,569 2215.67,570 8.865,571 34831.7,573 1,576 332.475,577 1.166,578 5.043,579 0.171,580 0.005,581 0.056,582 0.031,583 0.036,584 0.019,585 0.014,586 0.008,587 0.009,588 0.006,589 0.354,590 0.17,591 0.88,592 0.39,593 184.294,594 -0.08,595 -0.186,596 0.047,597 -0.037,598 -0.077,599 0.013,600 0.198,601 0.005,602 0.005,603 -0.036,604 0.108,605 -0.044,606 -0.025,607 -0.042,608 -0.142,609 -0.136,610 -0.11,611 -0.155,612 -0.041,613 -0.265,614 0.035,615 -0.142,616 0.052,617 -0.057,618 -0.186,619 0.129,620 0.03,621 0.159,622 -0.086,623 0.134,624 -0.189,625 -0.018,626 -0.088,627 -0.007,628 -0.145,629 -0.027,630 0.074,631 0.074,632 0.034,633 0.038,634 0.106,635 0.032,636 -0.013,637 0.144,638 -0.166,639 -0.019,640 -0.169,641 -0.102,642 1.973,643 5.464,644 0.794,645 42.19,646 1.002,647 1.123,648 3.055,649 9.335,650 0.694,651 3.664,652 3.97,653 4.22,654 4.489,655 4.71,656 4.771,657 4.949,658 5.081,659 5.193,660 5.303,661 8.158,662 0.668,663 449.56,664 3.664,665 5.198,666 6.038,667 6.905,668 7.759,669 8.631,670 9.494,671 10.37,672 11.24,673 12.119,674 12.3,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,716 57,718 29,719 2,720 38,722 61,723 26,724 23,725 4,726 8,728 5,729 6,731 1,732 1,740 24,741 2,744 1,749 1,753 1,760 23,761 7,762 3,763 8,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,823 1,827 34,833 1,834 3,850 1.8,853 1,858 16.333,859 10.467,860 7.417,861 3.207,863 4.956,864 1.599,865 1.035,866 6.299,867 13.225,868 3.989,869 4.613,870 5.198,871 5.807,872 6.343,873 6.602,874 7.073,875 7.518,876 7.85,877 8.262,878 0.9,879 50,880 12.492,881 5.273,882 7.676,883 23.816,884 19.278,885 2.176,886 74,890 235.422,891 177.077,892 105.675,894 25.145,897 177.077,898 260.567,899 105.675,900 8.825,901 38.127,902 112.857,903 130.541,904 46.256,905 30.146,906 176.567,908 235.422,909 282.752,910 25.145,913 235.422,914 25.145,917 79.853,918 134.531,919 68.367,921 235.422,922 130.82,923 177.077,926 235.422,927 28.252,928 150.111,929 54.032,930 75.502,931 235.422,932 130.82,933 177.077,935 0.576,936 0.327,937 0.179,938 0.098,939 25,940 10,941 0.098,942 6,943 1,944 1.074,945 4.65,946 315.913,947 0.074,948 27,949 164.974,954 21.776,955 9.835,956 5.312,957 0.74,958 129.534,959 28.22,960 13.302,964 5.932,966 54.032,967 543.319,968 53,973 12.464,977 -0.307,980 57.109,981 64.019,983 0.26,984 0.622,985 0.809,986 0.911,987 0.926,988 0.932,989 5.198,990 1.81,991 5.999,992 5.888,993 4.654,994 5.301,995 1.897,996 6.763,997 4.58,998 6.404,999 1.498,1000 7.52,1001 4.933,1002 4.111,1003 4.997,1004 1.195,1005 7.526,1006 4.01,1007 7.699,1008 1.448,1009 9.137,1010 4.057,1011 6.201,1012 7.514,1013 2.448,1014 10.619,1015 6.05,1016 9.029,1017 1.178,1018 10.811,1019 3.186,1020 6.479,1021 8.053,1022 2.324,1023 12.236,1024 6.287,1025 10.388,1026 1,1027 12.524,1028 2.68,1029 8.005,1030 10.007,1031 3.25,1032 14.826,1033 7.771,1034 11.77,1035 1,1036 14.264,1037 2.381,1038 8.684,1039 10.981,1040 3.407,1041 16.827,1042 8.396,1043 13.17,1044 1,1045 16.025,1046 2.275,1047 9.967,1048 12.681,1049 4.157,1050 19.243,1051 9.637,1052 3.133,1053 0.879,1054 17.802,1055 2.2,1056 10.854,1057 13.895,1058 4.464,1059 21.423,1060 10.462,1061 2.801,1062 10.48,1063 19.594,1064 2.136,1065 12.029,1066 15.475,1067 5.112,1068 23.78,1069 11.592,1070 2.667,1071 8.968,1072 21.396,1073 4.516,1074 13.026,1075 16.823,1076 5.504,1077 26.043,1078 12.523,1079 2.521,1080 7.634,1081 23.208,1082 3.806,1083 14.158,1084 18.35,1085 6.091,1086 28.383,1087 13.603,1088 2.418,1089 7.013,1090 25.029,1091 3.628,1092 15.213,1093 19.769,1094 6.531,1095 30.686,1096 14.592,1097 2.15,1098 6.97,1099 26.857,1100 3.446,1101 16.33,1102 21.275,1103 7.083,1104 33.022,1105 15.653,1106 2.081,1107 6.259,1108 28.692,1109 3.132,1110 17.417,1111 22.733,1112 7.551,1113 35.345,1114 16.673,1115 17416,1116 28189,1117 26.235,1118 39.586,1119 56.72,1120 57.514,1121 56.984,1122 56.279,1123 56.344,1124 77.96,1125 5.121,1126 157.041,1127 54.307,1128 5.442,1129 5.563,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 11.446,1138 1.493,1139 1.514,1140 1.5,1141 1.481,1142 1.483,1143 2.052,1144 0.135,1145 4.133,1146 1.429,1147 4.128,1148 4.18,1149 4.101,1150 3.975,1151 7.431,1152 3.998,1153 3.938,1154 3.976,1155 3.879,1156 3.855,1157 5.115,1158 3.854,1159 3.878,1160 3.919,1161 3.815,1162 3.787,1163 4.897,1164 3.791,1165 3.859,1166 3.896,1167 3.799,1168 3.75,1169 4.77,1170 3.761,1171 3.457,1172 3.507,1173 3.402,1174 3.209,1175 4.731,1176 3.246,1177 3.346,1178 3.429,1179 3.259,1180 3.13,1181 4.437,1182 3.15,1183 3.204,1184 3.272,1185 3.104,1186 3.033,1187 4.117,1188 3.041,1189 3.113,1190 3.188,1191 2.951,1192 2.922,1193 4.046,1194 2.925,1195 0.12,1196 0.094,1197 0.173,1198 0.107,1199 0.082,1200 4.574,1201 0.119,1202 3.563,1203 0.044,1204 6.573,1205 0.276,1206 4.073,1207 0.078,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.967,1214 1.935,1215 2.049,1216 2.107,1217 1.155,1218 2.086,1219 1.912,1220 1.882,1221 2.032,1222 2.016,1223 1.13,1224 2.021,1225 1.855,1226 1.817,1227 1.978,1228 1.977,1229 1.09,1230 1.982,1231 1.737,1232 1.691,1233 1.819,1234 1.902,1235 0.907,1236 1.888,1237 1.401,1238 1.341,1239 1.564,1240 1.615,1241 0.622,1242 1.603,1243 1.329,1244 1.273,1245 1.56,1246 1.609,1247 0.579,1248 1.584,1249 1.161,1250 1.081,1251 1.413,1252 1.424,1253 0.457,1254 1.427,1255 1.109,1256 1.038,1257 1.34,1258 1.361,1259 0.309,1260 1.381,1261 4.344,1263 5.652,1264 2.398,1265 7.148,1266 4.595,1267 8.728,1268 6.605,1269 10.354,1271 2.005,1277 0.599,1278 9.113,1289 38.079,1290 86.57,1291 206.778,1292 268.991,1293 302.965,1294 307.72,1295 309.72,1296 45.485,1297 8.27,1298 96.24,1299 96.24,1300 29,1301 12.658,1302 4.907,1303 4,1304 50.051,1305 164,1306 186,1307 0.144,1308 233.777,1309 390.89,1310 562.176,1311 53592,1313 23.33,1314 0.686,1315 0.546,1316 23.33,1317 18.564,1318 16.636,1319 0.438,1320 0.286,1321 10.715,1322 16.075,1323 10.462,1324 8.731,1325 16.636,1326 10.855,1327 14.923,1328 0.287,1329 0.151,1330 14.923,1331 7.868,1332 12.302,1333 0.184,1334 0.079,1335 12.302,1336 5.309,1337 10.444,1338 0.119,1339 0.04,1340 10.444,1341 3.562,1342 8.451,1343 0.077,1344 0.022,1345 8.451,1346 2.382,1347 0.23,1348 103.602,1349 0.195,1350 31.88,1351 0.383,1352 180,1353 501.315,1354 195.897,1355 498.093,1356 694.96,1357 468,1358 209,1359 526.749,1360 225.315,1361 537.839,1362 779.96,1363 506,1364 5.102}
{0 CHEMBL1080024,1 1.64,2 13.794,3 4.067,4 16.538,5 131.334,6 8.703,7 0.737,8 4.115,9 4.233,10 3.818,11 3.695,12 5.307,13 3.695,14 4.583,15 4.73,16 4.178,17 4.071,18 5.79,19 4.048,20 4.815,21 5.007,22 4.177,23 4.167,24 5.925,25 4.108,26 4.824,27 5.039,28 4.141,29 4.082,30 5.935,31 4.031,32 4.803,33 5.018,34 4.077,35 4.052,36 5.945,37 4.014,38 4.755,39 4.946,40 4.161,41 4.092,42 5.947,43 4.054,44 4.789,45 4.994,46 4.095,47 4.134,48 5.906,49 4.072,50 4.778,51 4.987,52 4.054,53 4.125,54 5.847,55 4.039,56 0.073,57 0.853,58 8.045,59 4.011,60 8.172,61 4.751,62 0.294,63 1.334,64 14.706,65 6.586,66 22.689,67 8.069,68 0.401,69 1.573,70 24.695,71 9.137,72 39.836,73 11.3,74 0.337,75 1.553,76 26.161,77 9.212,78 38.021,79 11.871,80 0.522,81 1.517,82 26.87,83 8.419,84 54.42,85 10.059,86 0.418,87 1.464,88 22.591,89 8.431,90 48.826,91 10.419,92 0.429,93 1.524,94 23.876,95 9.036,96 45.487,97 11.508,98 0.392,99 1.483,100 23.03,101 9.42,102 33.968,103 12.258,104 5,105 52,106 0.265,107 0.588,108 0.762,109 0.87,110 0.888,111 0.9,112 3.56,113 0.862,114 -4.29,115 -4.22,116 -3.99,118 46.3,124 1,138 10,139 2,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 8,170 1,171 3,173 3,174 1,175 5,178 10,181 2,182 4,184 2,186 5,188 4,192 8,197 8,199 1,204 10,206 2,208 5,215 10,218 1,220 4,223 5,227 2,228 1,231 1,232 1,233 1,235 10,239 3,240 1,243 2,247 13,252 3,255 1,256 1,257 1,260 8,264 2262,265 23.394,266 23.394,267 23.394,268 23.394,269 23.394,270 19.922,271 23.036,272 14.083,273 23.971,274 18.852,275 18.852,276 18.852,277 18.852,278 18.852,279 13.671,280 36.086,281 6.791,282 19.833,283 4.115,284 2.113,285 1.037,286 0.37,287 0.259,288 0.185,289 4.271,290 1,294 1,295 1033,296 3.391,299 82.583,300 426.503,303 144.598,307 2.218,308 26.183,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 72.833,320 469,321 4.574,322 3.564,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.179,331 3.171,332 6.11,333 3.772,334 2.804,335 3.806,336 0.657,337 8.968,338 2.702,339 4.067,340 2.965,341 5.615,342 3.647,343 2.691,344 3.66,345 0.247,346 7.773,347 2.56,348 3.898,349 2.805,350 5.386,351 3.506,352 2.521,353 3.446,355 7.075,356 2.483,357 3.758,358 2.724,359 5.367,360 3.373,361 2.419,362 3.129,364 7.012,365 2.298,366 3.5,367 2.358,368 5.191,369 3.041,370 2.104,371 2.858,373 6.259,374 1.963,375 3.455,376 2.283,377 4.908,378 3.003,379 2.075,380 2.757,382 5.734,383 1.917,384 3.172,385 2.185,386 4.556,387 2.7,388 1.756,389 2.388,391 4.749,392 1.58,393 2.924,394 1.599,395 4.34,396 2.431,397 1.498,398 2.098,400 4.041,401 1.395,402 2.917,403 1.531,404 3.785,405 2.416,406 1.447,407 2.086,409 3.186,410 1.393,411 2.666,412 1.278,413 3.59,414 2.167,415 1.191,416 1.743,417 2.684,418 1.149,419 2.651,420 1.201,421 3.481,422 2.147,423 1.166,424 1.717,425 2.581,426 1.135,427 2.5,428 1.006,429 3.468,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.348,452 0.481,453 0.708,454 0.021,455 52.25,456 1.537,457 29,458 0.853,459 23.25,460 0.684,461 23.164,462 0.681,463 34.052,464 0.631,465 40.267,466 1.184,467 10.507,468 0.309,469 6.129,470 0.18,471 0.064,473 0.3,478 0.831,479 1.313,480 0.601,481 0.898,482 0.624,483 0.801,484 0.715,485 1.131,486 0.746,487 0.947,488 0.578,489 0.94,490 1.045,491 1.038,492 1.045,493 1.045,494 1.039,495 1.059,496 0.994,497 1.273,498 0.862,499 1.092,500 0.847,501 1.022,502 1.541,503 0.877,504 1.03,505 0.809,506 1.606,507 0.858,508 0.972,509 1.076,510 0.768,511 0.99,512 1.068,513 0.957,514 0.901,515 0.892,516 0.857,517 0.901,518 0.883,519 0.953,520 0.696,521 0.87,522 0.834,523 0.977,524 0.762,525 1.05,526 6.5,527 0.168,528 2.667,529 1.813,530 1.56,531 0.944,532 0.605,533 0.431,534 0.345,535 0.192,536 18687,537 55525,538 2.163,539 37,541 12,542 2,543 3,544 3,549 1.76,550 2.082,551 3.74,552 0.84,558 88.577,559 1.64,560 3.642,561 4.718,562 5.385,563 5.496,564 5.57,565 3.231,566 4.793,567 5.056,568 3.929,569 2204.12,570 8.868,571 34603.5,576 310.764,577 1.166,578 5.043,579 0.171,580 0.005,581 0.051,582 0.036,583 0.033,584 0.021,585 0.012,586 0.009,587 0.008,588 0.005,589 0.352,590 0.17,591 0.75,592 0.39,593 184.084,594 -0.101,595 -0.19,596 0.019,597 -0.03,598 -0.084,599 0.014,600 0.127,601 -0.023,602 -0.031,603 -0.066,604 0.08,605 -0.097,606 -0.076,607 -0.014,608 -0.132,609 -0.099,610 -0.13,611 -0.125,612 -0.029,613 -0.275,614 0.041,615 -0.139,616 0.064,617 -0.05,618 -0.277,619 0.155,620 -0.109,621 0.12,622 -0.196,623 0.069,624 0.041,625 -0.063,626 0.04,627 -0.052,628 0.075,629 -0.021,630 -0.008,631 0.118,632 -0.045,633 0.048,634 0.001,635 0.007,636 0.094,637 0.111,638 -0.015,639 -0.004,640 -0.01,641 -0.058,642 2.03,643 5.447,644 0.794,645 41.533,646 1.01,647 1.121,648 3.055,649 9.335,650 0.716,651 3.664,652 3.97,653 4.22,654 4.5,655 4.7,656 4.779,657 4.934,658 5.094,659 5.187,660 5.308,661 8.088,662 0.692,663 469.97,664 3.664,665 5.198,666 6.038,667 6.907,668 7.76,669 8.635,670 9.496,671 10.375,672 11.242,673 12.124,674 13,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,715 1,716 54,718 29,719 2,720 38,722 58,723 25,724 23,725 4,726 8,728 5,729 6,730 1,731 1,740 24,741 1,744 1,749 1,753 1,760 20,761 7,762 3,763 9,764 1,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 1,827 34,833 1,834 3,849 1,850 1.9,853 1,858 16.333,859 9.61,860 7.417,861 2.993,863 4.965,864 1.6,865 1.038,866 6.495,867 13.235,868 3.989,869 4.613,870 5.198,871 5.814,872 6.335,873 6.609,874 7.062,875 7.526,876 7.848,877 8.263,878 1,879 50,880 12.474,881 5.294,882 7.739,883 23.602,884 19.112,885 2.239,886 76.111,890 200.109,891 168.566,892 105.675,893 39.149,894 25.145,897 168.566,898 264.402,899 105.675,901 38.127,902 112.857,903 130.541,904 46.571,905 30.146,906 141.253,907 39.149,908 200.109,909 274.242,910 25.145,911 39.149,913 200.109,914 25.145,917 71.028,918 134.846,919 107.516,921 200.109,922 130.82,923 207.715,926 200.109,927 28.567,928 141.286,929 54.032,930 114.65,931 200.109,932 130.82,933 207.715,935 0.575,936 0.326,937 0.182,938 0.096,939 25,940 10,941 0.103,942 6,943 1,944 1.074,945 4.638,946 316.614,947 0.074,948 27,949 168.974,954 22.047,955 10.017,956 5.429,957 0.73,958 129.534,959 27.4,960 13.274,964 5.133,966 54.032,967 538.644,968 53,973 12.447,977 -0.364,980 54.549,981 60.548,983 0.285,984 0.633,985 0.82,986 0.936,987 0.955,988 0.968,989 5.198,990 1.756,991 5.999,992 5.734,993 4.654,994 5.301,995 1.897,996 6.765,997 4.556,998 6.404,999 1.498,1000 7.52,1001 4.749,1002 4.111,1003 4.997,1004 1.195,1005 7.526,1006 3.942,1007 7.699,1008 1.447,1009 9.137,1010 4.041,1011 6.201,1012 7.514,1013 2.448,1014 10.628,1015 6.011,1016 9.029,1017 1.191,1018 10.812,1019 3.186,1020 6.479,1021 8.053,1022 2.324,1023 12.242,1024 6.22,1025 10.389,1026 1.166,1027 12.526,1028 2.684,1029 8.007,1030 10.009,1031 3.25,1032 14.838,1033 7.725,1034 11.771,1035 1,1036 14.267,1037 2.581,1038 8.689,1039 10.984,1040 3.407,1041 16.836,1042 8.337,1043 13.171,1044 1,1045 16.029,1046 2.381,1047 9.972,1048 12.684,1049 4.157,1050 19.253,1051 9.59,1052 3.133,1053 0.879,1054 17.808,1055 2.2,1056 10.863,1057 13.901,1058 4.464,1059 21.431,1060 10.411,1061 2.804,1062 10.48,1063 19.6,1064 2.136,1065 12.038,1066 15.48,1067 5.112,1068 23.788,1069 11.547,1070 2.691,1071 8.968,1072 21.403,1073 4.516,1074 13.037,1075 16.829,1076 5.504,1077 26.05,1078 12.478,1079 2.521,1080 7.773,1081 23.216,1082 3.806,1083 14.168,1084 18.355,1085 6.091,1086 28.388,1087 13.563,1088 2.419,1089 7.075,1090 25.036,1091 3.66,1092 15.224,1093 19.775,1094 6.531,1095 30.69,1096 14.552,1097 2.104,1098 7.012,1099 26.865,1100 3.446,1101 16.341,1102 21.28,1103 7.083,1104 33.026,1105 15.617,1106 2.075,1107 6.259,1108 28.699,1109 3.129,1110 17.427,1111 22.738,1112 7.551,1113 35.347,1114 16.638,1115 17300,1116 29995,1117 26.235,1118 38.682,1119 56.823,1120 57.455,1121 56.968,1122 56.338,1123 56.199,1124 77.778,1125 5.121,1126 156.601,1127 53.329,1128 5.442,1129 5.564,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 11.325,1138 1.495,1139 1.512,1140 1.499,1141 1.483,1142 1.479,1143 2.047,1144 0.135,1145 4.121,1146 1.403,1147 4.128,1148 4.18,1149 4.102,1150 3.975,1151 7.431,1152 3.997,1153 3.924,1154 3.959,1155 3.996,1156 3.84,1157 5.115,1158 3.838,1159 3.877,1160 3.919,1161 3.826,1162 3.787,1163 4.945,1164 3.79,1165 3.854,1166 3.888,1167 3.805,1168 3.75,1169 4.895,1170 3.76,1171 3.435,1172 3.481,1173 3.469,1174 3.189,1175 4.745,1176 3.227,1177 3.343,1178 3.423,1179 3.278,1180 3.105,1181 4.439,1182 3.136,1183 3.191,1184 3.253,1185 3.214,1186 3.017,1187 4.366,1188 3.029,1189 2.918,1190 2.988,1191 3.091,1192 2.805,1193 4.112,1194 2.784,1195 0.12,1196 0.094,1197 0.173,1198 0.107,1199 0.082,1200 4.574,1201 0.119,1202 3.564,1203 0.044,1204 6.573,1205 0.276,1206 4.073,1207 0.078,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.881,1220 1.855,1221 1.98,1222 1.994,1223 1.09,1224 1.993,1225 1.855,1226 1.817,1227 1.968,1228 1.968,1229 1.058,1230 1.973,1231 1.737,1232 1.691,1233 1.819,1234 1.896,1235 0.907,1236 1.886,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.27,1244 1.225,1245 1.419,1246 1.569,1247 0.458,1248 1.525,1249 1.155,1250 1.072,1251 1.389,1252 1.423,1253 0.347,1254 1.423,1255 0.962,1256 0.914,1257 1.181,1258 1.131,1259 0.247,1260 1.13,1261 4.344,1263 5.652,1264 2.398,1265 7.148,1266 4.595,1267 8.729,1268 6.605,1269 10.357,1272 5.987,1277 0.59,1278 8.994,1289 37.38,1290 88.577,1291 196.677,1292 254.79,1293 290.764,1294 296.764,1295 300.764,1296 47.132,1297 8.27,1298 96.24,1299 96.24,1300 29,1301 12.662,1302 4.907,1303 4,1304 50.03,1305 163,1306 160,1307 0.145,1308 232.518,1309 388.8,1310 559.103,1311 53592,1312 1.9,1313 23.33,1314 0.686,1315 0.55,1316 23.83,1317 18.698,1318 16.636,1319 0.438,1320 0.287,1321 10.434,1322 15.766,1323 10.218,1324 8.474,1325 16.925,1326 10.922,1327 14.935,1328 0.287,1329 0.153,1330 15.343,1331 7.949,1332 12.211,1333 0.182,1334 0.079,1335 12.473,1336 5.317,1337 10.653,1338 0.12,1339 0.041,1340 10.922,1341 3.682,1342 8.29,1343 0.076,1344 0.022,1345 8.456,1346 2.351,1347 0.232,1348 106.778,1349 0.195,1350 31.833,1351 0.387,1352 180,1353 527.518,1354 211.416,1355 551.394,1356 753.78,1357 516,1358 209,1359 543.612,1360 235.074,1361 562.767,1362 817.33,1363 530,1364 6.783}
{0 CHEMBL1080190,1 1.845,2 14.789,3 5.009,4 25.09,5 137.308,6 9.438,7 0.667,8 4.185,9 4.295,10 3.935,11 3.734,12 5.44,13 3.76,14 4.688,15 4.826,16 4.373,17 4.112,18 6.322,19 4.126,20 4.886,21 5.061,22 4.379,23 4.225,24 6.164,25 4.205,26 4.957,27 5.159,28 4.321,29 4.161,30 6.243,31 4.148,32 4.911,33 5.116,34 4.349,35 4.108,36 6.269,37 4.114,38 4.868,39 5.048,40 4.401,41 4.148,42 6.264,43 4.145,44 4.876,45 5.067,46 4.324,47 4.172,48 6.394,49 4.144,50 4.852,51 5.051,52 4.176,53 4.176,54 6.028,55 4.113,56 0.239,57 1.112,58 6.53,59 4.438,60 26.879,61 4.522,62 1.005,63 2.076,64 13.938,65 7.48,66 138.223,67 7.714,68 0.729,69 1.918,70 21.918,71 9.758,72 60.419,73 10.919,74 0.966,75 2.019,76 29.981,77 10.713,78 106.572,79 11.784,80 1.135,81 1.894,82 27.05,83 9.042,84 112.574,85 9.828,86 1.042,87 1.743,88 27.299,89 9.805,90 121.073,91 10.318,92 1.174,93 1.787,94 23.146,95 9.401,96 152.297,97 11.183,98 0.799,99 1.722,100 25.046,101 10.291,102 78.441,103 12.032,104 27,105 60,106 0.295,107 0.622,108 0.793,109 0.887,110 0.892,111 0.892,112 3.668,113 0.833,114 -4.78,115 -4.7,116 -4.41,118 45.6,124 1,130 1,138 9,139 3,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 9,170 1,171 3,173 3,174 1,175 4,178 8,181 2,182 4,184 2,186 7,188 5,192 7,197 6,199 1,204 12,206 2,208 7,215 9,218 1,220 3,223 3,227 2,228 1,231 1,232 1,233 1,235 12,239 3,240 1,243 2,247 14,252 2,255 1,256 1,257 1,260 8,264 2958,265 25.366,266 25.366,267 25.366,268 25.366,269 25.366,270 21.932,271 25.824,272 14.883,273 26.167,274 20.788,275 20.788,276 20.788,277 20.788,278 20.788,279 15.594,280 38.08,281 7.136,282 22.225,283 3.988,284 1.945,285 0.878,286 0.294,287 0.259,288 0.259,289 4.37,290 1,294 1,295 1221,296 4.243,299 95.396,300 487.401,303 166.484,307 2.38,308 55.162,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 85.333,320 562,321 4.574,322 4.461,323 7.119,324 4.193,325 3.328,326 4.516,327 3.825,328 11.704,329 2.956,330 4.483,331 3.575,332 6.573,333 4.073,334 3.133,335 3.996,336 1.656,337 10.48,338 2.915,339 4.178,340 3.172,341 6.112,342 3.776,343 2.825,344 3.804,345 0.657,346 8.973,347 2.698,348 4.063,349 3.109,350 6.053,351 3.68,352 2.751,353 3.446,354 0.247,355 8.716,356 2.497,357 3.898,358 2.804,359 5.437,360 3.506,361 2.521,362 3.353,364 7.196,365 2.478,366 3.746,367 2.724,368 5.367,369 3.371,370 2.416,371 3.119,373 7.012,374 2.271,375 3.485,376 2.332,377 5.191,378 3.01,379 2.086,380 2.852,382 6.259,383 1.931,384 3.414,385 2.185,386 4.832,387 2.975,388 2,389 2.668,391 5.484,392 1.916,393 2.945,394 2.056,395 4.592,396 2.484,397 1.575,398 2.132,400 4.626,401 1.439,402 2.92,403 1.76,404 4.387,405 2.434,406 1.498,407 2.09,409 4.158,410 1.394,411 2.906,412 1.599,413 4.104,414 2.431,415 1.494,416 2.02,417 3.581,418 1.36,419 2.802,420 1.531,421 3.784,422 2.322,423 1.355,424 1.909,425 3.186,426 1.251,427 2.658,428 1.201,429 3.59,430 2.151,431 1.175,432 1.73,433 2.676,434 1.144,435 2.5,436 1.006,437 3.47,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.705,452 0.466,453 1.086,454 0.029,455 55,456 1.447,457 29,458 0.763,459 26,460 0.684,461 29.09,462 0.766,463 39.895,464 0.7,465 48.052,466 1.265,467 11.201,468 0.295,469 7.057,470 0.186,471 0.108,472 0.028,473 0.305,476 3,478 0.65,479 1.074,480 0.554,481 0.915,482 0.588,483 0.803,484 0.484,485 0.831,486 0.664,487 0.894,488 0.397,489 0.914,490 0.706,491 0.925,492 0.906,493 1.065,494 0.616,495 1.078,496 1.084,497 1.132,498 1.117,499 1.114,500 0.98,501 1.079,502 0.946,503 0.763,504 0.868,505 0.792,506 0.94,507 0.848,508 0.839,509 0.94,510 0.92,511 1.058,512 0.839,513 1.003,514 0.453,515 0.611,516 0.728,517 0.795,518 0.404,519 0.928,520 0.678,521 0.716,522 1.04,523 0.992,524 0.651,525 1.111,526 9,527 0.234,528 4.222,529 2.25,530 2.191,531 1.354,532 0.891,533 0.493,534 0.465,535 0.307,536 24623,537 89387,538 2.091,539 33.3,541 11,542 2,543 3,544 3,549 1.787,550 1.957,551 3.832,552 0.843,558 105.146,559 1.845,560 3.888,561 4.955,562 5.539,563 5.574,564 5.574,565 3.281,566 4.807,567 5.22,568 4.045,569 2843.58,570 9.19,571 48687.3,576 332.475,577 1.514,578 5.174,579 0.214,580 0.006,581 0.07,582 0.038,583 0.04,584 0.025,585 0.016,586 0.009,587 0.009,588 0.007,589 0.434,590 0.17,591 0.75,592 0.661,593 213.226,594 -0.081,595 -0.14,596 0.006,597 -0.031,598 -0.099,599 0.015,600 0.346,601 0.213,602 0.027,603 0.012,604 0.386,605 -0.077,606 -0.026,607 -0.101,608 -0.043,609 -0.131,610 -0.005,611 -0.124,612 -0.172,613 -0.21,614 -0.108,615 -0.143,616 -0.101,617 -0.084,618 -0.03,619 0.112,620 0.044,621 0.12,622 -0.041,623 0.1,624 0.029,625 -0.052,626 0.061,627 -0.092,628 0.014,629 -0.036,630 0.289,631 0.197,632 0.082,633 0.128,634 0.32,635 0.044,636 -0.015,637 0.076,638 -0.114,639 -0.016,640 -0.054,641 -0.079,642 5.818,643 5.552,644 0.711,645 47.615,646 1.035,647 1.14,648 3.553,649 12.623,650 0.706,651 3.761,652 4.111,653 4.344,654 4.595,655 4.828,656 4.92,657 5.056,658 5.147,659 5.278,660 5.375,661 8.775,662 0.703,663 537.97,664 3.761,665 5.323,666 6.168,667 7.052,668 7.914,669 8.8,670 9.67,671 10.557,672 11.431,673 12.319,674 12.3,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,715 1,716 57,718 29,719 2,720 42,722 61,723 26,724 23,725 5,726 7,728 5,729 6,730 1,731 1,732 1,737 1,740 24,741 2,744 1,749 1,753 1,758 3,760 19,761 10,762 3,763 12,764 1,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 1,825 3,827 38,833 1,834 3,839 1,849 4,850 1.8,853 1,858 19.417,859 10.205,860 8.111,861 3.114,863 5.106,864 1.597,865 1.032,866 7.298,867 13.654,868 4.06,869 4.698,870 5.277,871 5.877,872 6.417,873 6.704,874 7.138,875 7.546,876 7.887,877 8.283,878 0.9,879 59,880 14.512,881 6.771,882 8.159,883 25.625,884 20.854,885 2.659,886 101.028,890 188.338,891 170.035,892 105.675,893 39.149,894 25.145,895 44.88,897 170.035,898 252.631,899 150.556,901 38.127,902 103.381,903 130.541,904 94.637,905 30.146,906 129.482,907 46.908,908 188.338,909 275.71,910 70.025,911 39.149,913 188.338,914 70.025,917 78.788,918 128.556,919 107.516,921 233.218,922 130.82,923 209.184,926 196.097,927 31.752,928 131.81,929 54.032,930 159.53,931 188.338,932 175.701,933 209.184,935 0.59,936 0.331,937 0.173,938 0.096,939 29,940 13,941 0.098,942 6,943 1,944 1.074,945 4.824,946 370.726,947 0.074,948 27,949 190.666,954 25.679,955 10.799,956 6.139,957 0.648,958 174.414,959 22.091,960 13.118,964 2.198,966 54.032,967 573.222,968 57,973 12.552,977 -0.749,980 58.971,981 64.982,983 0.316,984 0.667,985 0.849,986 0.95,987 0.956,988 0.956,989 5.303,990 2,991 6.18,992 6.259,993 4.796,994 5.387,995 3.277,996 7.006,997 4.666,998 6.536,999 1.575,1000 7.753,1001 5.484,1002 4.511,1003 5.223,1004 3.949,1005 8.067,1006 4.225,1007 7.857,1008 1.498,1009 9.433,1010 4.626,1011 6.444,1012 7.618,1013 5.466,1014 11.089,1015 6.173,1016 9.214,1017 1.494,1018 11.179,1019 4.158,1020 6.957,1021 8.25,1022 6.701,1023 12.966,1024 6.514,1025 10.599,1026 1.355,1027 12.968,1028 3.581,1029 8.399,1030 10.135,1031 8.066,1032 15.561,1033 7.95,1034 12.007,1035 1.175,1036 14.787,1037 3.186,1038 9.266,1039 11.162,1040 9.391,1041 17.761,1042 8.655,1043 13.43,1044 1,1045 16.629,1046 2.676,1047 10.524,1048 12.822,1049 10.736,1050 20.229,1051 9.873,1052 3.328,1053 1,1054 18.489,1055 2.381,1056 11.553,1057 14.06,1058 12.075,1059 22.563,1060 10.756,1061 3.133,1062 11.704,1063 20.362,1064 2.2,1065 12.744,1066 15.617,1067 13.417,1068 24.997,1069 11.879,1070 2.825,1071 10.48,1072 22.248,1073 4.516,1074 13.848,1075 16.971,1076 14.758,1077 27.388,1078 12.85,1079 2.751,1080 8.973,1081 24.142,1082 3.996,1083 15.019,1084 18.482,1085 16.1,1086 29.818,1087 13.934,1088 2.521,1089 8.716,1090 26.046,1091 3.804,1092 16.159,1093 19.899,1094 17.441,1095 32.235,1096 14.95,1097 2.416,1098 7.196,1099 27.955,1100 3.446,1101 17.327,1102 21.393,1103 18.783,1104 34.668,1105 16.018,1106 2.086,1107 7.012,1108 29.871,1109 3.353,1110 18.486,1111 22.844,1112 20.124,1113 37.099,1114 17.058,1115 23107,1116 44376,1117 28.027,1118 40.256,1119 64.148,1120 64.392,1121 63.802,1122 63.584,1123 63.332,1124 85.149,1125 12.772,1126 184.68,1127 59.104,1128 5.45,1129 6.461,1130 6.921,1131 5.264,1132 5.328,1133 7.516,1134 5.335,1135 18.7,1136 4.956,1137 19.249,1138 1.527,1139 1.533,1140 1.519,1141 1.514,1142 1.508,1143 2.027,1144 0.304,1145 4.397,1146 1.407,1147 4.129,1148 4.18,1149 4.105,1150 3.976,1151 8.513,1152 3.998,1153 3.956,1154 3.984,1155 4.03,1156 3.869,1157 7.999,1158 3.872,1159 3.879,1160 3.919,1161 3.825,1162 3.787,1163 7.999,1164 3.791,1165 3.862,1166 3.899,1167 3.805,1168 3.751,1169 7.431,1170 3.761,1171 3.47,1172 3.515,1173 3.552,1174 3.198,1175 5.115,1176 3.245,1177 3.35,1178 3.43,1179 3.406,1180 3.123,1181 4.921,1182 3.153,1183 3.287,1184 3.328,1185 3.258,1186 3.04,1187 4.894,1188 3.068,1189 3.185,1190 3.245,1191 3.101,1192 2.991,1193 4.744,1194 3.014,1195 0.109,1196 0.106,1197 0.169,1198 0.1,1199 0.079,1200 4.574,1201 0.108,1202 4.461,1203 0.091,1204 7.119,1205 0.279,1206 4.193,1207 0.07,1208 3.328,1209 4.516,1210 3.825,1211 11.704,1212 2.956,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.898,1220 1.878,1221 1.979,1222 2.007,1223 1.098,1224 1.998,1225 1.855,1226 1.817,1227 1.959,1228 1.976,1229 1.089,1230 1.978,1231 1.737,1232 1.691,1233 1.819,1234 1.901,1235 0.907,1236 1.887,1237 1.401,1238 1.341,1239 1.56,1240 1.614,1241 0.579,1242 1.603,1243 1.287,1244 1.243,1245 1.421,1246 1.603,1247 0.458,1248 1.544,1249 1.156,1250 1.075,1251 1.394,1252 1.424,1253 0.358,1254 1.424,1255 1.066,1256 1.039,1257 1.181,1258 1.386,1259 0.248,1260 1.294,1261 4.443,1263 5.784,1264 2.398,1265 7.306,1266 4.595,1267 8.91,1268 6.605,1269 10.558,1272 5.982,1273 39.119,1277 0.515,1278 8.289,1283 -4.568,1289 40.056,1290 105.146,1291 221.623,1292 282.436,1293 315.72,1294 317.72,1295 317.72,1296 80.43,1297 8.548,1298 96.24,1299 96.24,1300 29,1301 12.852,1302 4.907,1303 4,1304 59.194,1305 201,1306 195,1307 0.14,1308 245.705,1309 424.31,1310 591.279,1311 76634,1312 7,1313 26.7,1314 0.703,1315 0.533,1316 24.7,1317 20.255,1318 18.258,1319 0.435,1320 0.278,1321 11.091,1322 17.112,1323 10.926,1324 8.994,1325 17.336,1326 11.656,1327 17.41,1328 0.29,1329 0.143,1330 15.823,1331 8.601,1332 13.723,1333 0.181,1334 0.077,1335 13.14,1336 5.871,1337 11.357,1338 0.116,1339 0.04,1340 11.025,1341 3.879,1342 9.233,1343 0.074,1344 0.021,1345 9.199,1346 2.608,1347 0.225,1348 118.76,1349 0.189,1350 34.792,1351 0.371,1352 204,1353 811.851,1354 252.433,1355 739.8,1356 974.43,1357 686,1358 238,1359 678.612,1360 276.993,1361 678.518,1362 1009.55,1363 637,1364 7.18}
{0 CHEMBL1080191,1 1.505,2 13.886,3 4.375,4 19.138,5 136.612,6 7.726,7 0.718,8 4.201,9 4.328,10 3.806,11 3.759,12 5.348,13 3.749,14 4.686,15 4.856,16 4.154,17 4.135,18 5.817,19 4.104,20 4.897,21 5.089,22 4.173,23 4.253,24 5.968,25 4.19,26 4.987,27 5.22,28 4.126,29 4.21,30 6.012,31 4.136,32 4.967,33 5.209,34 4.112,35 4.163,36 6.038,37 4.108,38 4.896,39 5.1,40 4.122,41 4.183,42 6.022,43 4.13,44 4.943,45 5.176,46 4.106,47 4.212,48 6.014,49 4.14,50 4.865,51 5.079,52 4.034,53 4.204,54 5.892,55 4.111,56 0.028,57 0.944,58 11.236,59 4.764,60 8.736,61 6.258,62 0.271,63 1.48,64 20.342,65 7.903,66 25.209,67 10.747,68 0.271,69 1.754,70 26.375,71 10.066,72 33.733,73 13.605,74 0.212,75 1.831,76 31.362,77 10.844,78 38.92,79 15.358,80 0.423,81 1.768,82 32.07,83 10.012,84 51.739,85 13.884,86 0.299,87 1.673,88 27.825,89 9.741,90 49.523,91 12.995,92 0.461,93 1.729,94 30.781,95 10.611,96 59.954,97 14.615,98 0.327,99 1.634,100 26.669,101 10.519,102 33.368,103 14.468,104 10,105 54,106 0.239,107 0.586,108 0.766,109 0.859,110 0.885,111 0.885,112 3.588,113 0.867,114 -4.49,115 -4.41,116 -4.16,118 45,119 2,124 1,138 9,139 4,140 2,141 3,142 1,143 1,147 2,154 1,156 1,167 12,170 1,171 3,173 3,174 1,175 5,178 12,181 2,182 4,184 2,186 7,188 7,192 8,197 8,199 2,204 12,206 2,208 7,211 1,215 10,218 1,220 4,223 5,227 2,228 1,231 1,232 1,233 1,235 14,239 3,240 1,243 2,247 17,252 3,255 1,256 1,257 1,260 10,264 2421,265 23.894,266 23.894,267 23.894,268 23.894,269 23.894,270 20.369,271 24.454,272 14.242,273 24.331,274 19.313,275 19.313,276 19.313,277 19.313,278 19.313,279 14.056,280 36.776,281 6.849,282 20.022,283 4.402,284 2.214,285 1.08,286 0.492,287 0.325,288 0.325,289 4.297,294 1,295 1066,296 3.464,299 85.435,300 440.05,303 149.42,307 2.238,308 23.445,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 74.5,320 486,321 4.574,322 3.57,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.254,331 3.171,332 6.114,333 3.873,334 2.893,335 3.892,336 0.657,337 8.98,338 2.834,339 4.168,340 2.963,341 6.09,342 3.752,343 2.778,344 3.803,345 0.247,346 8.857,347 2.692,348 3.898,349 2.802,350 5.44,351 3.506,352 2.521,353 3.446,355 7.209,356 2.484,357 3.764,358 2.723,359 5.367,360 3.407,361 2.436,362 3.129,364 7.012,365 2.355,366 3.505,367 2.343,368 5.191,369 3.113,370 2.125,371 2.859,373 6.259,374 2.098,375 3.465,376 2.319,377 4.935,378 3.007,379 2.082,380 2.8,382 5.775,383 1.945,384 3.362,385 2.185,386 4.814,387 2.956,388 1.96,389 2.615,391 5.361,392 1.917,393 2.94,394 1.663,395 4.387,396 2.463,397 1.499,398 2.127,400 4.158,401 1.445,402 2.92,403 1.599,404 4.105,405 2.431,406 1.494,407 2.09,409 3.587,410 1.394,411 2.803,412 1.531,413 3.784,414 2.345,415 1.355,416 1.912,417 3.186,418 1.336,419 2.658,420 1.201,421 3.59,422 2.151,423 1.175,424 1.73,425 2.676,426 1.145,427 2.5,428 1.006,429 3.47,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.633,452 0.475,453 0.797,454 0.023,455 52.5,456 1.5,457 29,458 0.829,459 23.5,460 0.671,461 25.769,462 0.736,463 35.567,464 0.593,465 41.21,466 1.177,467 10.531,468 0.301,469 6.515,470 0.186,471 0.08,473 0.325,478 0.88,479 1.328,480 0.76,481 1.002,482 0.661,483 0.882,484 0.7,485 1.068,486 0.818,487 0.937,488 0.562,489 0.896,490 0.994,491 1.13,492 1.064,493 1.127,494 1.012,495 1.11,496 1.059,497 1.255,498 0.987,499 1.115,500 0.867,501 1.048,502 1.51,503 0.887,504 1.001,505 0.805,506 1.454,507 0.825,508 1.503,509 1.095,510 1.074,511 1.012,512 1.723,513 0.998,514 1.202,515 0.794,516 0.962,517 0.789,518 1.315,519 0.839,520 0.725,521 0.905,522 1.035,523 1.057,524 0.809,525 1.084,526 7,527 0.168,528 3.333,529 1.875,530 1.911,531 0.944,532 0.687,533 0.462,534 0.366,535 0.247,536 19958,537 50492,538 2.141,539 41.7,540 6,541 11,542 2,543 3,544 3,549 1.767,550 2.039,551 3.746,552 0.792,558 90.284,559 1.505,560 3.693,561 4.827,562 5.415,563 5.582,564 5.582,565 3.223,566 4.786,567 5.099,568 3.946,569 2347.88,570 8.954,571 37632.2,576 354.413,577 1.271,578 5.076,579 0.179,580 0.005,581 0.062,582 0.035,583 0.039,584 0.019,585 0.014,586 0.009,587 0.008,588 0.006,589 0.377,590 0.17,591 0.75,592 0.45,593 191.123,594 -0.07,595 -0.182,596 0.048,597 -0.037,598 -0.077,599 0.012,600 0.216,601 0.037,602 0.062,603 0.019,604 0.129,605 0.018,606 -0.013,607 -0.076,608 -0.146,609 -0.162,610 -0.105,611 -0.174,612 -0.055,613 -0.256,614 0.001,615 -0.152,616 0.027,617 -0.08,618 -0.159,619 0.126,620 0.03,621 0.131,622 -0.045,623 0.115,624 -0.189,625 -0.076,626 -0.1,627 -0.052,628 -0.15,629 -0.064,630 -0.031,631 0.199,632 0.039,633 0.182,634 -0.031,635 0.128,636 0.105,637 0.095,638 -0.098,639 -0.059,640 -0.033,641 -0.1,642 1.964,643 5.643,644 0.771,645 42.415,646 1,647 1.124,648 3.257,649 10.605,650 0.689,651 3.689,652 4.007,653 4.263,654 4.533,655 4.754,656 4.804,657 4.956,658 5.112,659 5.215,660 5.333,661 8.209,662 0.66,663 463.59,664 3.689,665 5.231,666 6.075,667 6.948,668 7.808,669 8.684,670 9.551,671 10.43,672 11.302,673 12.184,674 11.7,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,716 60,718 29,719 2,720 39,722 64,723 27,724 23,725 5,726 7,728 5,729 6,731 1,732 2,740 24,741 3,744 1,749 1,753 1,760 25,761 7,762 3,763 8,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,823 2,827 35,833 1,834 3,850 1.7,853 1,858 17.167,859 11.383,860 7.611,861 3.408,863 5.03,864 1.603,865 1.028,866 6.532,867 13.377,868 4.007,869 4.642,870 5.23,871 5.838,872 6.372,873 6.631,874 7.072,875 7.534,876 7.862,877 8.272,878 1,879 53,880 12.871,881 5.427,882 7.662,883 24.591,884 19.926,885 2.162,886 75.667,890 258.964,891 179.611,892 105.675,894 25.145,897 179.611,898 284.109,899 105.675,900 17.65,901 38.127,902 103.381,903 130.541,904 49.441,905 30.146,906 200.109,908 258.964,909 285.286,910 25.145,913 258.964,914 25.145,917 88.678,918 128.241,919 68.367,921 258.964,922 130.82,923 179.611,926 258.964,927 31.437,928 149.46,929 54.032,930 75.502,931 258.964,932 130.82,933 179.611,935 0.579,936 0.332,937 0.182,938 0.1,939 26,940 11,941 0.094,942 6,943 1,944 1.074,945 4.67,946 330.796,947 0.074,948 27,949 175.525,954 22.726,955 10.059,956 5.379,957 0.741,958 129.534,959 26.578,960 13.327,964 6.947,966 54.032,967 569.396,968 54,973 12.643,977 -0.298,980 59.992,981 67.434,983 0.255,984 0.625,985 0.817,986 0.917,987 0.945,988 0.945,989 5.226,990 1.96,991 6.047,992 5.775,993 4.691,994 5.33,995 1.897,996 6.828,997 4.621,998 6.44,999 1.499,1000 7.582,1001 5.361,1002 4.205,1003 5.085,1004 1.195,1005 7.627,1006 4.113,1007 7.743,1008 1.494,1009 9.213,1010 4.158,1011 6.256,1012 7.557,1013 2.448,1014 10.723,1015 6.113,1016 9.081,1017 1.355,1018 10.901,1019 3.587,1020 6.581,1021 8.14,1022 2.324,1023 12.357,1024 6.406,1025 10.448,1026 1.175,1027 12.626,1028 3.186,1029 8.084,1030 10.066,1031 3.25,1032 14.952,1033 7.865,1034 11.837,1035 1,1036 14.378,1037 2.676,1038 8.798,1039 11.068,1040 3.407,1041 16.954,1042 8.536,1043 13.244,1044 1,1045 16.149,1046 2.381,1047 10.068,1048 12.751,1049 4.157,1050 19.369,1051 9.765,1052 3.133,1053 0.879,1054 17.935,1055 2.2,1056 10.98,1057 13.98,1058 4.464,1059 21.541,1060 10.625,1061 2.893,1062 10.48,1063 19.733,1064 2.136,1065 12.149,1066 15.549,1067 5.112,1068 23.892,1069 11.751,1070 2.778,1071 8.98,1072 21.54,1073 4.516,1074 13.16,1075 16.901,1076 5.504,1077 26.145,1078 12.708,1079 2.521,1080 8.857,1081 23.356,1082 3.892,1083 14.289,1084 18.42,1085 6.091,1086 28.476,1087 13.79,1088 2.436,1089 7.209,1090 25.179,1091 3.803,1092 15.35,1093 19.839,1094 6.531,1095 30.769,1096 14.795,1097 2.125,1098 7.012,1099 27.008,1100 3.446,1101 16.465,1102 21.338,1103 7.083,1104 33.096,1105 15.86,1106 2.082,1107 6.259,1108 28.842,1109 3.129,1110 17.553,1111 22.793,1112 7.551,1113 35.41,1114 16.89,1115 18550,1116 29700,1117 26.641,1118 41.347,1119 58.548,1120 59.207,1121 58.981,1122 57.99,1123 58.051,1124 79.873,1125 5.121,1126 163.885,1127 56.014,1128 5.447,1129 5.57,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 14.106,1138 1.501,1139 1.518,1140 1.512,1141 1.487,1142 1.488,1143 2.048,1144 0.131,1145 4.202,1146 1.436,1147 4.129,1148 4.181,1149 4.101,1150 3.977,1151 7.431,1152 3.999,1153 3.959,1154 3.994,1155 3.903,1156 3.882,1157 5.115,1158 3.881,1159 3.879,1160 3.919,1161 3.818,1162 3.787,1163 4.897,1164 3.791,1165 3.862,1166 3.9,1167 3.802,1168 3.751,1169 4.764,1170 3.761,1171 3.449,1172 3.499,1173 3.396,1174 3.209,1175 4.726,1176 3.24,1177 3.346,1178 3.428,1179 3.258,1180 3.157,1181 4.437,1182 3.158,1183 3.288,1184 3.366,1185 3.116,1186 3.089,1187 4.116,1188 3.107,1189 3.189,1190 3.252,1191 3.084,1192 3.012,1193 4.041,1194 3.025,1195 0.117,1196 0.092,1197 0.169,1198 0.104,1199 0.08,1200 4.574,1201 0.116,1202 3.57,1203 0.042,1204 6.573,1205 0.269,1206 4.073,1207 0.076,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.968,1214 1.936,1215 2.059,1216 2.107,1217 1.185,1218 2.086,1219 1.935,1220 1.906,1221 2.04,1222 2.033,1223 1.154,1224 2.039,1225 1.855,1226 1.817,1227 1.978,1228 1.979,1229 1.09,1230 1.982,1231 1.737,1232 1.691,1233 1.819,1234 1.903,1235 0.907,1236 1.889,1237 1.401,1238 1.341,1239 1.659,1240 1.614,1241 0.746,1242 1.603,1243 1.351,1244 1.286,1245 1.56,1246 1.6,1247 0.579,1248 1.594,1249 1.257,1250 1.2,1251 1.433,1252 1.515,1253 0.458,1254 1.525,1255 1.155,1256 1.071,1257 1.406,1258 1.423,1259 0.431,1260 1.423,1261 4.369,1263 5.687,1264 2.398,1265 7.191,1266 4.595,1267 8.781,1268 6.605,1269 10.418,1271 3.962,1277 0.599,1278 9.233,1289 39.606,1290 90.284,1291 221.562,1292 289.619,1293 324.904,1294 334.904,1295 334.904,1296 48.935,1297 8.346,1298 96.24,1299 96.24,1300 29,1301 12.721,1302 4.907,1303 4,1304 52.245,1305 171,1306 168,1307 0.144,1308 243.369,1309 408.19,1310 585.581,1311 59117,1313 24.2,1314 0.691,1315 0.557,1316 24.2,1317 19.487,1318 17.047,1319 0.437,1320 0.289,1321 11.131,1322 16.487,1323 10.808,1324 9.043,1325 17.047,1326 11.272,1327 15.453,1328 0.286,1329 0.154,1330 15.453,1331 8.32,1332 12.76,1333 0.182,1334 0.081,1335 12.76,1336 5.641,1337 10.805,1338 0.117,1339 0.041,1340 10.805,1341 3.787,1342 8.824,1343 0.077,1344 0.022,1345 8.824,1346 2.586,1347 0.231,1348 106.066,1349 0.194,1350 32.542,1351 0.385,1352 186,1353 509.315,1354 201.897,1355 506.763,1356 708.03,1357 476,1358 217,1359 537.749,1360 233.482,1361 550.297,1362 798.56,1363 517,1364 6.028}
{0 CHEMBL1080206,1 1.744,2 14.73,3 4.345,4 18.876,5 132.503,6 8.834,7 0.683,8 4.18,9 4.296,10 3.877,11 3.713,12 5.424,13 3.74,14 4.682,15 4.827,16 4.298,17 4.084,18 6.305,19 4.099,20 4.876,21 5.062,22 4.257,23 4.183,24 6.121,25 4.164,26 4.949,27 5.169,28 4.231,29 4.109,30 6.217,31 4.106,32 4.88,33 5.085,34 4.209,35 4.073,36 6.209,37 4.077,38 4.861,39 5.062,40 4.175,41 4.114,42 6.103,43 4.1,44 4.871,45 5.069,46 4.247,47 4.14,48 6.376,49 4.113,50 4.835,51 5.044,52 4.076,53 4.124,54 5.986,55 4.069,56 0.198,57 1.125,58 7.849,59 4.515,60 23.314,61 4.852,62 0.967,63 2.093,64 15.959,65 7.495,66 135.527,67 8.182,68 0.608,69 1.947,70 21.966,71 9.599,72 49.204,73 11.382,74 0.858,75 2.039,76 28.476,77 10.015,78 94.603,79 11.843,80 0.953,81 1.894,82 25.456,83 8.534,84 89.92,85 9.751,86 0.786,87 1.827,88 24.668,89 9.438,90 96.695,91 10.813,92 1.136,93 1.795,94 24.592,95 9.301,96 148.653,97 11.678,98 0.664,99 1.735,100 23.673,101 9.841,102 67.514,103 12.154,104 18,105 58,106 0.279,107 0.594,108 0.769,109 0.881,110 0.903,111 0.915,112 3.642,113 0.817,114 -4.59,115 -4.51,116 -4.24,118 45.6,124 1,130 1,138 10,139 3,140 2,141 3,142 1,143 1,147 2,154 1,156 1,167 10,170 1,171 3,173 3,174 1,175 5,178 9,181 2,182 4,184 2,186 5,188 4,192 8,195 1,197 8,204 10,206 1,208 6,214 1,215 8,218 1,220 3,223 5,227 3,228 3,231 1,232 1,233 1,235 11,239 1,240 2,243 2,247 12,252 4,255 1,256 1,257 1,260 8,264 2817,265 24.866,266 24.866,267 24.866,268 24.866,269 24.866,270 21.485,271 25.89,272 14.724,273 25.549,274 20.327,275 20.327,276 20.327,277 20.327,278 20.327,279 15.209,280 40.25,281 7.075,282 21.52,283 4.089,284 2.12,285 1.03,286 0.329,287 0.189,288 0.119,289 4.347,294 1,295 1188,296 4.183,299 92.544,300 473.855,303 161.662,307 2.386,308 50.949,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 83,320 545,321 4.574,322 4.46,323 7.116,324 4.18,325 3.32,326 4.516,327 3.825,328 11.69,329 2.956,330 4.453,331 3.563,332 6.573,333 4.073,334 3.133,335 3.87,336 1.656,337 10.48,338 2.898,339 4.176,340 3.171,341 6.11,342 3.767,343 2.798,344 3.803,345 0.657,346 8.968,347 2.698,348 3.899,349 2.807,350 5.568,351 3.556,352 2.6,353 3.446,354 0.247,355 7.629,356 2.478,357 3.892,358 2.725,359 5.367,360 3.501,361 2.52,362 3.189,364 7.012,365 2.451,366 3.686,367 2.585,368 5.335,369 3.296,370 2.337,371 3.063,373 6.942,374 2.22,375 3.479,376 2.327,377 5.191,378 3.007,379 2.084,380 2.849,382 6.259,383 1.919,384 3.376,385 2.185,386 4.76,387 2.929,388 1.945,389 2.616,391 5.307,392 1.892,393 2.945,394 1.844,395 4.458,396 2.478,397 1.529,398 2.129,400 4.329,401 1.438,402 2.92,403 1.599,404 4.328,405 2.455,406 1.498,407 2.09,409 3.982,410 1.431,411 2.858,412 1.531,413 3.785,414 2.385,415 1.416,416 1.972,417 3.186,418 1.354,419 2.659,420 1.201,421 3.59,422 2.152,423 1.177,424 1.731,425 2.68,426 1.145,427 2.57,428 1.189,429 3.489,430 2.092,431 1.111,432 1.6,433 2.534,434 1.078,435 2.5,436 1.006,437 3.469,438 1.957,439 1,440 1.5,441 2.381,442 0.954,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 16.99,452 0.459,453 0.997,454 0.027,455 54.25,456 1.466,457 29,458 0.784,459 25.25,460 0.682,461 26.505,462 0.716,463 38.81,464 0.681,465 46.75,466 1.264,467 11.113,468 0.3,469 6.734,470 0.182,471 0.07,472 0.029,473 0.288,476 3,478 0.65,479 1.078,480 0.628,481 0.981,482 0.585,483 0.839,484 0.467,485 0.837,486 0.75,487 0.966,488 0.39,489 0.958,490 0.688,491 0.947,492 0.923,493 1.109,494 0.605,495 1.104,496 1.055,497 1.079,498 1.005,499 1.02,500 0.95,501 0.988,502 1.037,503 0.823,504 1.055,505 0.859,506 0.988,507 0.918,508 0.994,509 0.894,510 1.029,511 0.946,512 0.971,513 0.977,514 0.425,515 0.6,516 0.837,517 0.847,518 0.399,519 0.952,520 0.653,521 0.801,522 0.991,523 1.03,524 0.632,525 1.106,526 8.5,527 0.234,528 3.556,529 2.188,530 1.858,531 1.187,532 0.809,533 0.462,534 0.444,535 0.252,536 23292,537 79450,538 2.11,539 35.1,541 12,542 2,543 3,544 3,549 1.78,550 1.991,551 3.828,552 0.836,558 99.418,559 1.744,560 3.713,561 4.803,562 5.504,563 5.644,564 5.714,565 3.287,566 4.757,567 5.18,568 4.039,569 2690.18,570 9.109,571 45354.2,576 332.475,577 1.444,578 5.144,579 0.207,580 0.006,581 0.061,582 0.039,583 0.035,584 0.023,585 0.016,586 0.009,587 0.009,588 0.006,589 0.411,590 0.17,591 0.75,592 0.629,593 206.273,594 -0.076,595 -0.141,596 0.02,597 -0.037,598 -0.1,599 0.014,600 0.381,601 0.207,602 0.027,603 -0.021,604 0.398,605 -0.098,606 -0.025,607 -0.122,608 -0.063,609 -0.162,610 -0.005,611 -0.142,612 -0.138,613 -0.158,614 -0.004,615 -0.066,616 -0.071,618 -0.104,619 0.064,620 -0.095,621 0.059,622 -0.075,623 0.013,624 -0.144,625 -0.009,626 -0.092,627 0.017,628 -0.13,629 -0.002,630 0.329,631 0.206,632 0.083,633 0.098,634 0.328,635 0.023,636 -0.011,637 -0.006,638 -0.074,639 -0.048,640 -0.044,641 -0.075,642 5.752,643 5.458,644 0.73,645 47.173,646 1.029,647 1.141,648 3.356,649 11.263,650 0.691,651 3.738,652 4.078,653 4.304,654 4.564,655 4.779,656 4.852,657 5.037,658 5.13,659 5.252,660 5.352,661 8.719,662 0.688,663 503.53,664 3.738,665 5.293,666 6.133,667 7.015,668 7.871,669 8.754,670 9.619,671 10.503,672 11.374,673 12.259,674 12.3,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,716 57,718 29,719 2,720 41,722 61,723 26,724 23,725 4,726 8,728 5,729 6,731 1,732 1,737 1,740 24,741 2,744 1,749 1,753 1,758 3,760 20,761 10,762 3,763 11,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,825 3,827 37,833 1,834 3,839 1,849 3,850 1.8,853 1,858 18.583,859 10.145,860 7.917,861 3.127,863 5.064,864 1.597,865 1.035,866 6.867,867 13.548,868 4.043,869 4.67,870 5.246,871 5.853,872 6.382,873 6.657,874 7.129,875 7.538,876 7.874,877 8.275,878 0.9,879 56,880 14.104,881 6.532,882 8.128,883 25.064,884 20.372,885 2.628,886 97.25,890 200.109,891 176.011,892 105.675,894 25.145,895 44.88,897 176.011,898 225.254,899 150.556,901 38.127,902 112.857,903 130.541,904 91.136,905 30.146,906 141.253,907 7.76,908 200.109,909 281.686,910 70.025,913 200.109,914 70.025,917 78.788,918 134.531,919 68.367,921 244.989,922 130.82,923 176.011,926 207.868,927 28.252,928 141.286,929 54.032,930 120.382,931 200.109,932 175.701,933 176.011,935 0.586,936 0.327,937 0.175,938 0.095,939 28,940 12,941 0.098,942 6,943 1,944 1.074,945 4.796,946 355.438,947 0.074,948 27,949 185.995,954 24.448,955 10.393,956 5.947,957 0.655,958 174.414,959 23.988,960 13.218,964 2.531,966 54.032,967 551.82,968 56,973 12.458,977 -0.673,980 58.647,981 65.038,983 0.299,984 0.637,985 0.823,986 0.944,987 0.968,988 0.98,989 5.278,990 1.945,991 6.138,992 6.259,993 4.762,994 5.359,995 3.277,996 6.954,997 4.651,998 6.504,999 1.529,1000 7.701,1001 5.307,1002 4.443,1003 5.147,1004 3.949,1005 8.003,1006 4.19,1007 7.818,1008 1.498,1009 9.373,1010 4.329,1011 6.399,1012 7.577,1013 5.466,1014 11.024,1015 6.153,1016 9.168,1017 1.416,1018 11.113,1019 3.982,1020 6.889,1021 8.172,1022 6.701,1023 12.906,1024 6.479,1025 10.549,1026 1.177,1027 12.898,1028 3.186,1029 8.344,1030 10.081,1031 8.066,1032 15.499,1033 7.924,1034 11.951,1035 1.111,1036 14.715,1037 2.68,1038 9.199,1039 11.085,1040 9.391,1041 17.71,1042 8.619,1043 13.371,1044 1,1045 16.557,1046 2.534,1047 10.464,1048 12.76,1049 10.736,1050 20.18,1051 9.842,1052 3.32,1053 1,1054 18.418,1055 2.381,1056 11.488,1057 13.987,1058 12.075,1059 22.522,1060 10.718,1061 3.133,1062 11.69,1063 20.294,1064 2.2,1065 12.683,1066 15.552,1067 13.417,1068 24.959,1069 11.844,1070 2.798,1071 10.48,1072 22.182,1073 4.516,1074 13.787,1075 16.902,1076 14.758,1077 27.355,1078 12.811,1079 2.6,1080 8.968,1081 24.081,1082 3.87,1083 14.96,1084 18.419,1085 16.1,1086 29.788,1087 13.895,1088 2.52,1089 7.629,1090 25.988,1091 3.803,1092 16.101,1093 19.836,1094 17.441,1095 32.208,1096 14.909,1097 2.337,1098 7.012,1099 27.902,1100 3.446,1101 17.271,1102 21.335,1103 18.783,1104 34.643,1105 15.977,1106 2.084,1107 6.942,1108 29.822,1109 3.189,1110 18.431,1111 22.789,1112 20.124,1113 37.075,1114 17.014,1115 21791,1116 40535,1117 27.622,1118 39.398,1119 62.47,1120 62.271,1121 61.735,1122 61.702,1123 61.527,1124 83.118,1125 12.772,1126 177.513,1127 58.132,1128 5.446,1129 6.46,1130 6.918,1131 5.251,1132 5.32,1133 7.516,1134 5.335,1135 18.668,1136 4.956,1137 17.049,1138 1.524,1139 1.519,1140 1.506,1141 1.505,1142 1.501,1143 2.027,1144 0.312,1145 4.33,1146 1.418,1147 4.129,1148 4.18,1149 4.101,1150 3.975,1151 8.513,1152 3.998,1153 3.951,1154 3.984,1155 3.911,1156 3.854,1157 7.999,1158 3.86,1159 3.878,1160 3.919,1161 3.82,1162 3.785,1163 7.999,1164 3.79,1165 3.861,1166 3.899,1167 3.802,1168 3.75,1169 7.431,1170 3.76,1171 3.47,1172 3.515,1173 3.45,1174 3.198,1175 5.115,1176 3.244,1177 3.356,1178 3.436,1179 3.292,1180 3.131,1181 4.894,1182 3.159,1183 3.281,1184 3.331,1185 3.24,1186 3.055,1187 4.754,1188 3.07,1189 3.19,1190 3.248,1191 3.099,1192 2.97,1193 4.704,1194 3.01,1195 0.112,1196 0.109,1197 0.174,1198 0.102,1199 0.081,1200 4.574,1201 0.11,1202 4.46,1203 0.093,1204 7.116,1205 0.285,1206 4.18,1207 0.072,1208 3.32,1209 4.516,1210 3.825,1211 11.69,1212 2.956,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.154,1218 2.086,1219 1.903,1220 1.877,1221 1.999,1222 2.019,1223 1.099,1224 2.01,1225 1.853,1226 1.814,1227 1.975,1228 1.977,1229 1.081,1230 1.98,1231 1.738,1232 1.692,1233 1.82,1234 1.902,1235 0.907,1236 1.888,1237 1.403,1238 1.343,1239 1.568,1240 1.615,1241 0.617,1242 1.605,1243 1.288,1244 1.243,1245 1.443,1246 1.603,1247 0.472,1248 1.544,1249 1.192,1250 1.118,1251 1.401,1252 1.433,1253 0.364,1254 1.438,1255 1.078,1256 1.039,1257 1.205,1258 1.406,1259 0.266,1260 1.322,1261 4.419,1263 5.753,1264 2.398,1265 7.268,1266 4.595,1267 8.864,1268 6.605,1269 10.505,1273 38.852,1277 0.504,1278 8.378,1283 -4.502,1289 39.229,1290 99.418,1291 211.633,1292 273.746,1293 313.72,1294 321.72,1295 325.72,1296 72.548,1297 8.484,1298 96.24,1299 96.24,1300 29,1301 12.794,1302 4.907,1303 4,1304 56.872,1305 193,1306 186,1307 0.139,1308 237.372,1309 409.1,1310 570.947,1311 71073,1312 5.3,1313 25.83,1314 0.698,1315 0.519,1316 23.33,1317 19.198,1318 17.847,1319 0.435,1320 0.272,1321 10.956,1322 16.993,1323 10.824,1324 8.938,1325 16.636,1326 11.172,1327 16.893,1328 0.291,1329 0.139,1330 14.935,1331 8.086,1332 13.174,1333 0.18,1334 0.074,1335 12.211,1336 5.421,1337 11.171,1338 0.118,1339 0.039,1340 10.653,1341 3.701,1342 8.931,1343 0.076,1344 0.02,1345 8.29,1346 2.411,1347 0.224,1348 113.12,1349 0.19,1350 34.129,1351 0.368,1352 198,1353 777.648,1354 230.914,1355 677.943,1356 902.5,1357 630,1358 230,1359 650.749,1360 256.958,1361 641.369,1362 953.06,1363 602,1364 5.108}
{0 CHEMBL1080207,1 1.715,2 15.289,3 4.118,4 16.957,5 147.078,6 9.266,7 0.667,8 4.252,9 4.363,10 4.005,11 3.786,12 5.441,13 3.792,14 4.736,15 4.887,16 4.386,17 4.155,18 5.91,19 4.144,20 4.911,21 5.077,22 4.529,23 4.286,24 6.051,25 4.247,26 4.989,27 5.178,28 4.5,29 4.281,30 6.105,31 4.228,32 5.044,33 5.255,34 4.444,35 4.274,36 6.185,37 4.214,38 4.992,39 5.187,40 4.488,41 4.26,42 6.125,43 4.215,44 4.976,45 5.173,46 4.317,47 4.281,48 6.134,49 4.21,50 4.972,51 5.193,52 4.307,53 4.258,54 6.018,55 4.174,56 0.113,57 0.955,58 8.548,59 4.957,60 9.798,61 5.713,62 0.493,63 1.47,64 19.25,65 8.227,66 33.881,67 9.478,68 0.55,69 1.715,70 29.676,71 10.494,72 40.542,73 12.125,74 0.537,75 1.801,76 33.015,77 11.272,78 41.844,79 13.75,80 0.855,81 1.844,82 49.336,83 12.2,84 69.04,85 14.525,86 0.655,87 1.751,88 33.901,89 11.275,90 56.835,91 13.415,92 0.745,93 1.769,94 41.991,95 11.611,96 69.069,97 13.959,98 0.574,99 1.72,100 31.182,101 12.03,102 46.149,103 15.465,104 21,105 58,106 0.271,107 0.628,108 0.786,109 0.864,110 0.874,111 0.89,112 3.668,113 0.885,114 -3.31,115 -3.3,116 -3.16,117 1,118 43.5,123 2,124 1,138 8,139 2,140 5,141 3,142 1,143 1,147 2,154 1,156 1,167 6,170 1,171 5,173 3,174 1,175 4,178 6,181 2,182 7,184 3,186 5,188 4,191 1,192 7,197 6,203 1,204 11,206 4,208 5,215 9,218 1,220 3,223 3,227 3,228 3,231 2,232 1,233 1,235 8,239 3,240 3,243 2,247 10,252 5,255 1,256 1,257 1,260 6,264 2962,265 26.135,266 26.135,267 26.135,268 26.135,269 26.135,270 22.662,271 28.69,272 15.457,273 27.052,274 20.656,275 20.656,276 20.656,277 20.656,278 20.656,279 15.295,280 42.978,281 7.217,282 22.012,283 4.239,284 1.974,285 0.972,286 0.476,287 0.411,288 0.315,289 4.374,294 1,295 1265,296 3.808,299 95.776,300 488.73,303 167.168,307 2.342,308 32.114,311 0.75,312 0.67,313 0.83,314 0.5,316 0.83,317 1,318 0.65,319 82.25,320 581,321 4.574,322 3.577,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.383,331 3.301,332 6.316,333 3.956,334 3.02,335 4.064,336 0.86,337 9.642,338 2.812,339 4.174,340 3.171,341 6.11,342 3.759,343 2.789,344 3.804,345 0.86,346 8.966,347 2.692,348 3.898,349 2.849,350 5.806,351 3.508,352 2.532,353 3.446,354 0.657,355 7.833,356 2.484,357 3.828,358 2.8,359 5.439,360 3.463,361 2.516,362 3.174,363 0.247,364 7.176,365 2.368,366 3.684,367 2.723,368 5.367,369 3.283,370 2.357,371 3.069,373 7.012,374 2.137,375 3.482,376 2.333,377 5.191,378 3.008,379 2.085,380 2.85,382 6.259,383 1.921,384 3.401,385 2.214,386 4.882,387 2.969,388 2.001,389 2.647,391 5.588,392 1.91,393 3.047,394 2.185,395 4.548,396 2.603,397 1.679,398 2.237,400 4.661,401 1.506,402 2.924,403 1.794,404 4.359,405 2.431,406 1.498,407 2.096,409 4.074,410 1.395,411 2.917,412 1.599,413 3.788,414 2.419,415 1.455,416 2.085,417 3.187,418 1.393,419 2.66,420 1.531,421 3.655,422 2.153,423 1.181,424 1.733,425 2.69,426 1.146,427 2.5,428 1.201,429 3.587,430 1.984,431 1,432 1.5,433 2.382,434 0.983,435 2.5,436 1.039,437 3.468,438 1.952,439 1,440 1.5,441 2.229,442 0.949,443 2.234,444 1.006,445 3.429,446 1.815,447 1,448 1.147,449 2.2,450 0.816,451 18.633,452 0.49,453 0.81,454 0.021,455 56,456 1.474,457 30,458 0.789,459 26,460 0.684,461 30.884,462 0.813,463 38.967,464 0.628,465 45.062,466 1.186,467 11.236,468 0.296,469 7.298,470 0.192,471 0.143,473 0.317,478 0.898,479 1.387,480 0.506,481 0.927,482 0.674,483 0.849,484 1.083,485 1.007,486 0.616,487 0.747,488 0.735,489 0.78,490 0.973,491 1.073,492 0.93,493 1.027,494 1.005,495 1.01,496 0.96,497 1.331,498 0.886,499 1.105,500 0.899,501 1.08,502 1.043,503 0.932,504 1.256,505 1.034,506 1.29,507 0.982,508 1.209,509 1.067,510 0.691,511 0.906,512 1.286,513 0.926,514 0.926,515 0.907,516 1.201,517 1.027,518 1.203,519 1.042,520 0.759,521 0.837,522 0.547,523 0.821,524 0.848,525 0.926,526 7.5,527 0.213,528 3.778,529 2.188,530 2.262,531 1.292,532 0.768,533 0.517,534 0.415,535 0.289,536 24627,537 75185,538 2.113,539 38.7,541 16,542 2,543 3,544 3,549 1.787,550 2,551 3.858,552 0.817,558 106.333,559 1.715,560 3.98,561 4.982,562 5.478,563 5.543,564 5.64,565 3.367,566 4.985,567 5.219,568 4.051,569 2847.98,570 9.19,571 48706.5,576 369.16,577 1.324,578 5.189,579 0.179,580 0.005,581 0.065,582 0.036,583 0.04,584 0.023,585 0.014,586 0.01,587 0.008,588 0.007,589 0.387,590 0.33,591 0.75,592 0.704,593 213.227,594 -0.096,595 -0.241,596 0.006,597 -0.076,598 -0.078,599 -0.012,600 -0.036,601 0.089,602 0.02,603 0.126,604 0.029,605 0.086,606 -0.008,607 -0.007,608 -0.019,609 -0.084,610 -0.084,611 -0.099,612 -0.02,613 -0.305,614 -0.006,615 -0.163,617 -0.135,618 0.017,619 0.085,620 -0.093,621 -0.04,622 -0.002,623 -0.018,624 -0.122,625 -0.072,626 0.054,627 0.016,628 -0.05,629 0.022,630 0.01,631 0.125,632 -0.157,633 -0.048,634 -0.008,635 -0.084,636 0.054,637 0.134,638 0.057,639 0.096,640 0.025,641 0.076,642 2.088,643 5.811,644 0.711,645 47.731,646 1.014,647 1.124,648 2.083,649 4.339,650 0.703,651 3.761,652 4.078,653 4.357,654 4.625,655 4.844,656 4.927,657 5.05,658 5.176,659 5.263,660 5.394,661 8.78,662 0.678,663 574.48,664 3.761,665 5.303,666 6.155,667 7.031,668 7.898,669 8.778,670 9.652,671 10.535,672 11.412,673 12.297,674 11.3,679 1,681 2,682 1,684 3,689 1,690 13,691 3,695 9,697 28,709 1,714 2,715 1,716 62,718 29,719 2,720 42,721 1,722 66,723 27,724 23,725 6,726 6,728 5,729 6,731 1,740 24,741 3,744 1,749 1,753 1,760 24,761 9,762 3,763 11,764 1,766 1,769 7,775 0.8,776 3,784 1,787 1,793 1,794 4,797 1,819 4,822 1,823 2,827 38,833 1,834 3,835 2,849 1,850 4.8,853 1,855 2,858 19,859 11.776,860 8.472,861 3.312,863 5.112,864 1.598,865 1.011,866 8.077,867 13.661,868 4.06,869 4.689,870 5.293,871 5.897,872 6.432,873 6.716,874 7.135,875 7.561,876 7.878,877 8.294,878 1,879 60,880 13.95,881 5.848,882 7.739,883 26.33,884 20.981,885 2.239,886 85.083,890 247.193,891 181.421,892 151.629,894 47.145,897 227.375,898 294.338,899 105.675,900 21.766,901 38.127,902 93.905,903 130.541,904 78.612,905 30.146,906 188.338,907 45.954,908 247.193,909 287.097,910 47.145,912 45.954,913 247.193,914 47.145,917 71.028,918 147.701,919 68.367,920 45.954,921 247.193,922 152.82,923 227.375,926 247.193,927 38.608,928 144.1,929 99.986,930 97.501,931 247.193,932 152.82,933 227.375,935 0.574,936 0.342,937 0.19,938 0.102,939 27,940 12,941 0.121,942 8,943 1,944 1.074,945 4.851,946 369.61,947 0.074,948 27,949 193.421,954 25.978,955 11.816,956 6.098,957 0.719,958 151.534,959 23.773,960 13.315,964 6.125,966 54.032,967 627.389,968 57,973 12.811,977 -0.421,980 62.876,981 69.695,983 0.288,984 0.669,985 0.837,986 0.92,987 0.931,988 0.947,989 5.283,990 2.001,991 6.129,992 6.259,993 4.762,994 5.378,995 2.264,996 6.927,997 4.642,998 6.496,999 1.679,1000 7.676,1001 5.588,1002 4.29,1003 5.165,1004 1.195,1005 7.774,1006 4.103,1007 7.804,1008 1.498,1009 9.321,1010 4.661,1011 6.344,1012 7.612,1013 2.621,1014 10.867,1015 6.121,1016 9.149,1017 1.455,1018 11.022,1019 4.074,1020 6.698,1021 8.232,1022 2.324,1023 12.53,1024 6.399,1025 10.523,1026 1.181,1027 12.76,1028 3.187,1029 8.193,1030 10.134,1031 3.311,1032 15.124,1033 7.863,1034 11.92,1035 1,1036 14.523,1037 2.69,1038 8.934,1039 11.163,1040 3.407,1041 17.138,1042 8.526,1043 13.334,1044 1,1045 16.304,1046 2.382,1047 10.199,1048 12.829,1049 4.175,1050 19.553,1051 9.756,1052 3.133,1053 1,1054 18.098,1055 2.229,1056 11.131,1057 14.074,1058 4.464,1059 21.728,1060 10.611,1061 3.02,1062 10.48,1063 19.903,1064 2.2,1065 12.299,1066 15.634,1067 5.117,1068 24.079,1069 11.736,1070 2.789,1071 9.642,1072 21.716,1073 4.516,1074 13.324,1075 16.993,1076 5.504,1077 26.33,1078 12.688,1079 2.532,1080 8.966,1081 23.537,1082 4.064,1083 14.454,1084 18.506,1085 6.092,1086 28.658,1087 13.768,1088 2.516,1089 7.833,1090 25.363,1091 3.804,1092 15.525,1093 19.927,1094 6.531,1095 30.946,1096 14.77,1097 2.357,1098 7.176,1099 27.194,1100 3.446,1101 16.644,1102 21.422,1103 7.084,1104 33.27,1105 15.833,1106 2.085,1107 7.012,1108 29.03,1109 3.174,1110 17.738,1111 22.875,1112 7.551,1113 35.577,1114 16.861,1115 23110,1116 40565,1117 28.433,1118 43.608,1119 62.467,1120 64.095,1121 63.966,1122 62.101,1123 62.014,1124 84.018,1125 8.561,1126 176.458,1127 57.992,1128 5.451,1129 5.577,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 17.285,1138 1.487,1139 1.526,1140 1.523,1141 1.479,1142 1.477,1143 2,1144 0.204,1145 4.201,1146 1.381,1147 4.129,1148 4.18,1149 6.88,1150 3.976,1151 7.431,1152 3.998,1153 3.943,1154 3.965,1155 4.101,1156 3.859,1157 5.116,1158 3.857,1159 3.878,1160 3.919,1161 3.856,1162 3.787,1163 4.922,1164 3.791,1165 3.859,1166 3.89,1167 3.811,1168 3.75,1169 4.893,1170 3.761,1171 3.453,1172 3.494,1173 3.783,1174 3.197,1175 4.744,1176 3.236,1177 3.347,1178 3.427,1179 3.391,1180 3.119,1181 4.58,1182 3.145,1183 3.291,1184 3.345,1185 3.258,1186 3.035,1187 4.438,1188 3.045,1189 3.203,1190 3.272,1191 3.125,1192 2.998,1193 4.266,1194 3.006,1195 0.109,1196 0.085,1197 0.156,1198 0.097,1199 0.075,1200 4.574,1201 0.108,1202 3.577,1203 0.039,1204 6.573,1205 0.25,1206 4.073,1207 0.07,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.872,1220 1.86,1221 1.978,1222 1.998,1223 1.091,1224 1.989,1225 1.854,1226 1.817,1227 1.912,1228 1.972,1229 1.071,1230 1.967,1231 1.737,1232 1.691,1233 1.818,1234 1.899,1235 0.907,1236 1.886,1237 1.401,1238 1.341,1239 1.588,1240 1.614,1241 0.585,1242 1.603,1243 1.291,1244 1.247,1245 1.56,1246 1.606,1247 0.579,1248 1.58,1249 1.208,1250 1.143,1251 1.545,1252 1.541,1253 0.563,1254 1.539,1255 1.158,1256 1.076,1257 1.414,1258 1.428,1259 0.457,1260 1.444,1261 4.443,1263 5.759,1264 2.398,1265 7.269,1266 4.595,1267 8.869,1268 6.605,1269 10.518,1270 3.434,1271 3.089,1277 0.578,1278 9.064,1279 10.683,1289 42.061,1290 106.333,1291 246.79,1292 308.896,1293 339.65,1294 343.65,1295 349.65,1296 59.032,1297 8.549,1298 114.7,1299 114.7,1300 29,1301 12.831,1302 4.907,1303 4,1304 59.192,1305 201,1306 198,1307 0.14,1308 263.276,1309 445.05,1310 634.153,1311 76364,1312 1.6,1313 26.485,1314 0.697,1315 0.584,1316 27.485,1317 22.19,1318 18.534,1319 0.441,1320 0.295,1321 11.427,1322 17.133,1323 11.105,1324 9.246,1325 19.111,1326 12.395,1327 16.342,1328 0.282,1329 0.156,1330 17.084,1331 9.043,1332 13.936,1333 0.181,1334 0.082,1335 14.643,1336 6.341,1337 11.861,1338 0.117,1339 0.043,1340 12.535,1341 4.38,1342 9.387,1343 0.074,1344 0.022,1345 9.85,1346 2.781,1347 0.225,1348 125.589,1349 0.188,1350 34.799,1351 0.371,1352 200,1353 631.44,1354 287.524,1355 643.876,1356 875.76,1357 604,1358 235,1359 623.573,1360 293.312,1361 645.892,1362 940.19,1363 604,1364 6.686}
{0 CHEMBL1080353,1 1.709,2 13.886,3 4.731,4 22.383,5 136.139,6 9.341,7 0.718,8 4.121,9 4.232,10 3.879,11 3.716,12 5.324,13 3.716,14 4.59,15 4.729,16 4.262,17 4.099,18 5.817,19 4.076,20 4.826,21 5.005,22 4.311,23 4.206,24 5.98,25 4.149,26 4.837,27 5.037,28 4.239,29 4.127,30 5.974,31 4.071,32 4.812,33 5.016,34 4.312,35 4.086,36 6.048,37 4.051,38 4.76,39 4.945,40 4.209,41 4.112,42 5.965,43 4.072,44 4.794,45 4.993,46 4.186,47 4.161,48 5.934,49 4.1,50 4.788,51 4.986,52 4.157,53 4.163,54 5.893,55 4.075,56 0.105,57 0.842,58 6.698,59 3.901,60 8.42,61 4.389,62 0.33,63 1.317,64 12.779,65 6.481,66 22.295,67 7.554,68 0.501,69 1.546,70 24.841,71 9.244,72 43.926,73 10.81,74 0.453,75 1.528,76 28.391,77 9.6,78 42.365,79 11.514,80 0.71,81 1.505,82 30.24,83 8.716,84 68.318,85 9.686,86 0.487,87 1.452,88 22.047,89 8.547,90 50.895,91 10.017,92 0.485,93 1.512,94 22.983,95 9.117,96 46.674,97 11.125,98 0.471,99 1.461,100 23.991,101 9.56,102 37.4,103 11.847,104 10,105 54,106 0.276,107 0.606,108 0.782,109 0.888,110 0.9,111 0.9,112 3.588,113 0.877,114 -4.49,115 -4.41,116 -4.16,118 46.3,124 1,138 9,139 2,140 4,141 3,142 1,143 1,147 2,154 1,156 1,167 7,170 1,171 3,173 3,174 1,175 4,178 9,181 2,182 4,184 2,186 6,188 6,192 7,197 7,204 11,206 2,208 6,211 1,215 10,218 1,220 4,223 3,227 2,228 1,231 1,232 1,233 1,235 10,239 3,240 1,243 2,247 14,252 2,255 1,256 1,257 1,260 9,264 2421,265 23.894,266 23.894,267 23.894,268 23.894,269 23.894,270 20.369,271 22.97,272 14.242,273 24.58,274 19.313,275 19.313,276 19.313,277 19.313,278 19.313,279 14.056,280 33.916,281 6.849,282 20.532,283 4.046,284 2.002,285 0.913,286 0.259,287 0.185,288 0.185,289 4.297,290 2,294 1,295 1066,296 3.464,299 85.435,300 440.05,303 149.42,307 2.238,308 30.227,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 75.167,320 486,321 4.574,322 3.577,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.254,331 3.179,332 6.114,333 3.825,334 2.893,335 3.892,336 0.657,337 8.98,338 2.708,339 4.168,340 3.167,341 6.09,342 3.744,343 2.778,344 3.803,345 0.247,346 8.857,347 2.626,348 3.898,349 2.805,350 5.44,351 3.506,352 2.521,353 3.446,355 7.209,356 2.484,357 3.764,358 2.758,359 5.367,360 3.396,361 2.436,362 3.129,364 7.012,365 2.319,366 3.505,367 2.723,368 5.191,369 3.042,370 2.125,371 2.859,373 6.259,374 1.969,375 3.465,376 2.332,377 4.935,378 3.003,379 2.082,380 2.8,382 5.775,383 1.917,384 3.362,385 2.185,386 4.814,387 2.865,388 1.96,389 2.615,391 5.361,392 1.633,393 2.94,394 1.826,395 4.387,396 2.449,397 1.499,398 2.127,400 4.158,401 1.413,402 2.92,403 1.599,404 4.105,405 2.431,406 1.494,407 2.09,409 3.587,410 1.394,411 2.803,412 1.531,413 3.784,414 2.325,415 1.355,416 1.912,417 3.186,418 1.277,419 2.658,420 1.201,421 3.59,422 2.151,423 1.175,424 1.73,425 2.676,426 1.144,427 2.5,428 1.006,429 3.47,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 17.062,452 0.487,453 0.797,454 0.023,455 53,456 1.514,457 29,458 0.829,459 24,460 0.686,461 25.547,462 0.73,463 35.138,464 0.651,465 41.432,466 1.184,467 10.595,468 0.303,469 6.452,470 0.184,471 0.103,473 0.316,478 0.793,479 1.313,480 0.541,481 0.839,482 0.613,483 0.766,484 0.708,485 1.125,486 0.671,487 0.879,488 0.577,489 0.897,490 1.011,491 1.04,492 0.998,493 1.032,494 1.013,495 1.046,496 1.078,497 1.275,498 1,499 1.13,500 0.954,501 1.063,502 1.215,503 0.889,504 0.761,505 0.793,506 1.322,507 0.831,508 0.938,509 1.081,510 0.733,511 0.98,512 1.045,513 0.968,514 0.854,515 0.888,516 0.743,517 0.843,518 0.834,519 0.919,520 0.773,521 0.867,522 0.9,523 0.985,524 0.811,525 1.067,526 7,527 0.168,528 3.333,529 1.875,530 1.911,531 0.944,532 0.687,533 0.462,534 0.366,535 0.247,536 19958,537 64340,538 2.141,539 35.2,541 11,542 2,543 3,544 3,549 1.767,550 2.039,551 3.746,552 0.848,558 92.305,559 1.709,560 3.753,561 4.842,562 5.496,563 5.57,564 5.57,565 3.223,566 4.786,567 5.099,568 3.946,569 2347.88,570 8.954,571 37632.2,576 310.764,577 1.271,578 5.076,579 0.179,580 0.005,581 0.062,582 0.035,583 0.039,584 0.019,585 0.014,586 0.009,587 0.008,588 0.006,589 0.377,590 0.17,591 0.75,592 0.45,593 191.123,594 -0.108,595 -0.188,596 0.006,597 -0.023,598 -0.089,599 0.015,600 0.09,601 -0.016,602 -0.015,603 -0.033,604 0.068,605 -0.076,606 -0.057,607 -0.015,608 -0.099,609 -0.094,610 -0.107,611 -0.119,612 -0.099,613 -0.277,614 -0.054,615 -0.168,616 -0.026,617 -0.09,618 -0.032,619 0.149,620 0.116,621 0.138,622 0.025,623 0.103,624 0.005,625 -0.063,626 0.003,627 -0.059,628 0.04,629 -0.034,630 -0.012,631 0.127,633 0.092,634 0.017,635 0.043,636 0.039,637 0.114,638 -0.057,639 -0.017,640 -0.04,641 -0.076,642 2.107,643 5.541,644 0.771,645 42.415,646 1.016,647 1.12,648 3.257,649 10.605,650 0.732,651 3.689,652 4.007,653 4.263,654 4.533,655 4.754,656 4.804,657 4.956,658 5.112,659 5.215,660 5.333,661 8.209,662 0.708,663 504.41,664 3.689,665 5.231,666 6.075,667 6.948,668 7.808,669 8.684,670 9.551,671 10.43,672 11.302,673 12.184,674 13,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,715 2,716 54,718 29,719 2,720 39,722 58,723 25,724 23,725 5,726 7,728 5,729 6,730 2,731 1,740 24,741 1,744 1,749 1,753 1,760 19,761 7,762 3,763 10,764 2,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 2,827 35,833 1,834 3,849 2,850 1.9,853 1,858 17.167,859 9.669,860 7.611,861 2.98,863 5.03,864 1.603,865 1.035,866 6.928,867 13.377,868 4.007,869 4.642,870 5.23,871 5.838,872 6.372,873 6.631,874 7.072,875 7.534,876 7.862,877 8.272,878 1,879 53,880 12.839,881 5.476,882 7.783,883 24.163,884 19.594,885 2.283,886 79.889,890 188.338,891 162.591,892 105.675,893 78.297,894 25.145,897 162.591,898 291.78,899 105.675,901 38.127,902 103.381,903 130.541,904 50.071,905 30.146,906 129.482,907 78.297,908 188.338,909 268.266,910 25.145,911 78.297,913 188.338,914 25.145,917 71.028,918 128.871,919 146.665,921 188.338,922 130.82,923 240.888,926 188.338,927 32.067,928 131.81,929 54.032,930 153.799,931 188.338,932 130.82,933 240.888,935 0.579,936 0.332,937 0.182,938 0.1,939 26,940 11,941 0.103,942 6,943 1,944 1.074,945 4.67,946 330.796,947 0.074,948 27,949 173.525,954 23.27,955 10.42,956 5.61,957 0.717,958 129.534,959 25.14,960 13.262,964 5.15,966 54.032,967 560.046,968 54,973 12.541,977 -0.441,980 54.873,981 60.492,983 0.297,984 0.652,985 0.841,986 0.955,987 0.968,988 0.968,989 5.226,990 1.96,991 6.047,992 5.775,993 4.691,994 5.33,995 1.897,996 6.828,997 4.572,998 6.44,999 1.499,1000 7.582,1001 5.361,1002 4.205,1003 5.085,1004 1.195,1005 7.627,1006 3.988,1007 7.743,1008 1.494,1009 9.213,1010 4.158,1011 6.256,1012 7.557,1013 2.448,1014 10.723,1015 6.033,1016 9.081,1017 1.355,1018 10.901,1019 3.587,1020 6.581,1021 8.14,1022 2.324,1023 12.357,1024 6.263,1025 10.448,1026 1.175,1027 12.626,1028 3.186,1029 8.084,1030 10.066,1031 3.25,1032 14.952,1033 7.755,1034 11.837,1035 1,1036 14.378,1037 2.676,1038 8.798,1039 11.068,1040 3.407,1041 16.954,1042 8.381,1043 13.244,1044 1,1045 16.149,1046 2.381,1047 10.068,1048 12.751,1049 4.157,1050 19.369,1051 9.627,1052 3.133,1053 0.879,1054 17.935,1055 2.2,1056 10.98,1057 13.98,1058 4.464,1059 21.541,1060 10.457,1061 2.893,1062 10.48,1063 19.733,1064 2.136,1065 12.149,1066 15.549,1067 5.112,1068 23.892,1069 11.589,1070 2.778,1071 8.98,1072 21.54,1073 4.516,1074 13.16,1075 16.901,1076 5.504,1077 26.145,1078 12.525,1079 2.521,1080 8.857,1081 23.356,1082 3.892,1083 14.289,1084 18.42,1085 6.091,1086 28.476,1087 13.607,1088 2.436,1089 7.209,1090 25.179,1091 3.803,1092 15.35,1093 19.839,1094 6.531,1095 30.769,1096 14.598,1097 2.125,1098 7.012,1099 27.008,1100 3.446,1101 16.465,1102 21.338,1103 7.083,1104 33.096,1105 15.66,1106 2.082,1107 6.259,1108 28.842,1109 3.129,1110 17.553,1111 22.793,1112 7.551,1113 35.41,1114 16.682,1115 18550,1116 33522,1117 26.641,1118 39.54,1119 58.548,1120 59.887,1121 58.981,1122 58.223,1123 58.051,1124 79.873,1125 5.121,1126 163.885,1127 54.345,1128 5.447,1129 5.577,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 14.106,1138 1.501,1139 1.536,1140 1.512,1141 1.493,1142 1.488,1143 2.048,1144 0.131,1145 4.202,1146 1.393,1147 4.128,1148 4.18,1149 4.112,1150 3.975,1151 7.431,1152 3.997,1153 3.929,1154 3.958,1155 4.072,1156 3.856,1157 5.116,1158 3.851,1159 3.877,1160 3.919,1161 3.826,1162 3.787,1163 5.012,1164 3.791,1165 3.856,1166 3.887,1167 3.806,1168 3.75,1169 4.896,1170 3.76,1171 3.436,1172 3.481,1173 3.637,1174 3.189,1175 4.745,1176 3.227,1177 3.343,1178 3.423,1179 3.406,1180 3.105,1181 4.668,1182 3.136,1183 3.191,1184 3.253,1185 3.258,1186 3.018,1187 4.438,1188 3.029,1189 2.929,1190 2.988,1191 3.1,1192 2.866,1193 4.122,1194 2.835,1195 0.117,1196 0.092,1197 0.169,1198 0.104,1199 0.08,1200 4.574,1201 0.116,1202 3.577,1203 0.042,1204 6.573,1205 0.269,1206 4.073,1207 0.076,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.875,1220 1.856,1221 1.978,1222 1.989,1223 1.09,1224 1.988,1225 1.854,1226 1.817,1227 1.924,1228 1.959,1229 1.055,1230 1.96,1231 1.737,1232 1.691,1233 1.818,1234 1.893,1235 0.907,1236 1.884,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.27,1244 1.225,1245 1.419,1246 1.568,1247 0.458,1248 1.525,1249 1.155,1250 1.072,1251 1.389,1252 1.423,1253 0.347,1254 1.423,1255 0.962,1256 0.915,1257 1.181,1258 1.131,1259 0.247,1260 1.13,1261 4.369,1263 5.687,1264 2.398,1265 7.191,1266 4.595,1267 8.781,1268 6.605,1269 10.418,1272 12.141,1277 0.579,1278 8.891,1289 38.207,1290 92.305,1291 202.667,1292 261.48,1293 296.764,1294 300.764,1295 300.764,1296 53.095,1297 8.346,1298 96.24,1299 96.24,1300 29,1301 12.721,1302 4.907,1303 4,1304 52.245,1305 171,1306 168,1307 0.144,1308 240.85,1309 404.01,1310 579.435,1311 59117,1312 3.7,1313 24.2,1314 0.691,1315 0.564,1316 25.2,1317 19.755,1318 17.047,1319 0.437,1320 0.292,1321 10.569,1322 15.888,1323 10.32,1324 8.532,1325 17.624,1326 11.406,1327 15.453,1328 0.286,1329 0.157,1330 16.232,1331 8.47,1332 12.76,1333 0.182,1334 0.082,1335 13.403,1336 5.741,1337 10.805,1338 0.117,1339 0.042,1340 11.26,1341 3.847,1342 8.824,1343 0.077,1344 0.023,1345 9.57,1346 2.666,1347 0.231,1348 112.417,1349 0.194,1350 32.542,1351 0.385,1352 186,1353 561.721,1354 232.935,1355 613.382,1356 825.75,1357 572,1358 217,1359 571.475,1360 255.276,1361 600.211,1362 874.22,1363 565,1364 6.996}
{0 CHEMBL1080359,1 1.64,2 13.794,3 4.151,4 17.228,5 134.152,6 9.526,7 0.737,8 4.114,9 4.232,10 3.896,11 3.707,12 5.295,13 3.7,14 4.581,15 4.728,16 4.285,17 4.087,18 5.773,19 4.055,20 4.812,21 5.004,22 4.293,23 4.188,24 5.905,25 4.116,26 4.822,27 5.037,28 4.266,29 4.099,30 5.915,31 4.038,32 4.8,33 5.015,34 4.148,35 4.067,36 5.932,37 4.019,38 4.753,39 4.944,40 4.296,41 4.101,42 5.913,43 4.059,44 4.787,45 4.992,46 4.16,47 4.145,48 5.896,49 4.076,50 4.776,51 4.986,52 4.175,53 4.141,54 5.832,55 4.046,56 0.064,57 0.849,58 6.667,59 4.06,60 7.999,61 4.728,62 0.284,63 1.337,64 12.915,65 6.749,66 22.464,67 8.074,68 0.371,69 1.59,70 28.745,71 9.723,72 36.59,73 11.49,74 0.295,75 1.572,76 28.995,77 9.651,78 35.537,79 11.972,80 0.489,81 1.537,82 31.285,83 8.986,84 51.161,85 10.207,86 0.359,87 1.474,88 23.526,89 8.627,90 40.383,91 10.349,92 0.407,93 1.534,94 25.271,95 9.34,96 44,97 11.57,98 0.377,99 1.495,100 22.3,101 9.661,102 33.039,103 12.301,104 5,105 52,106 0.265,107 0.588,108 0.762,109 0.87,110 0.888,111 0.9,112 3.56,113 0.895,114 -4.39,115 -4.32,116 -4.07,117 1,118 46.3,124 1,138 10,139 2,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 8,170 1,171 3,173 3,174 1,175 5,178 10,181 2,182 4,184 2,186 5,188 4,192 8,197 8,199 1,204 10,206 2,208 5,215 10,218 1,220 4,223 5,227 2,228 1,231 1,232 1,233 1,235 10,239 3,240 1,243 2,247 13,252 3,255 1,256 1,257 1,260 8,264 2262,265 23.394,266 23.394,267 23.394,268 23.394,269 23.394,270 19.922,271 23.079,272 14.083,273 23.999,274 18.852,275 18.852,276 18.852,277 18.852,278 18.852,279 13.671,280 36.154,281 6.791,282 19.889,283 4.115,284 2.113,285 1.037,286 0.37,287 0.259,288 0.185,289 4.271,294 1,295 1033,296 3.391,299 82.583,300 426.503,303 144.598,307 2.218,308 24.014,311 0.75,312 0.83,313 0.83,314 0.5,316 0.83,317 1,318 0.68,319 72.25,320 469,321 4.574,322 3.564,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.179,331 3.171,332 6.11,333 3.772,334 2.804,335 3.806,336 0.657,337 8.968,338 2.702,339 4.067,340 2.936,341 5.615,342 3.644,343 2.691,344 3.66,345 0.247,346 7.773,347 2.553,348 3.898,349 2.805,350 5.386,351 3.506,352 2.521,353 3.446,355 7.075,356 2.483,357 3.758,358 2.724,359 5.367,360 3.371,361 2.419,362 3.129,364 7.012,365 2.292,366 3.5,367 2.353,368 5.191,369 3.037,370 2.104,371 2.858,373 6.259,374 1.952,375 3.455,376 2.275,377 4.908,378 3.002,379 2.075,380 2.757,382 5.734,383 1.917,384 3.172,385 2.185,386 4.556,387 2.692,388 1.756,389 2.388,391 4.749,392 1.539,393 2.924,394 1.599,395 4.34,396 2.431,397 1.498,398 2.098,400 4.041,401 1.394,402 2.917,403 1.531,404 3.785,405 2.416,406 1.447,407 2.086,409 3.186,410 1.389,411 2.666,412 1.274,413 3.59,414 2.165,415 1.191,416 1.743,417 2.684,418 1.146,419 2.651,420 1.201,421 3.481,422 2.147,423 1.166,424 1.717,425 2.581,426 1.121,427 2.5,428 1.006,429 3.468,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.967,452 0.499,453 0.708,454 0.021,455 52,456 1.529,457 29,458 0.853,459 23,460 0.676,461 24.688,462 0.726,463 33.433,464 0.619,465 38.742,466 1.139,467 10.236,468 0.301,469 6.4,470 0.188,471 0.098,473 0.289,478 0.868,479 1.293,480 0.491,481 0.813,482 0.638,483 0.781,484 0.728,485 1.108,486 0.612,487 0.865,488 0.587,489 0.918,490 1.044,491 1.033,492 0.977,493 1.029,494 1.035,495 1.057,496 1.037,497 1.278,498 0.732,499 1.038,500 0.868,501 1.012,502 1.613,503 0.879,504 0.85,505 0.809,506 1.673,507 0.861,508 1.079,509 1.09,510 0.542,511 0.934,512 1.206,513 0.941,514 0.938,515 0.888,516 0.614,517 0.841,518 0.913,519 0.939,520 0.719,521 0.852,522 0.573,523 0.881,524 0.797,525 1.023,526 6.5,527 0.168,528 2.667,529 1.813,530 1.56,531 0.944,532 0.605,533 0.431,534 0.345,535 0.192,536 18687,537 55525,538 2.163,539 37,541 12,542 2,543 3,544 3,549 1.76,550 2.082,551 3.74,552 0.84,558 88.577,559 1.64,560 3.642,561 4.718,562 5.385,563 5.496,564 5.57,565 3.231,566 4.793,567 5.056,568 3.929,569 2204.12,570 8.868,571 34603.5,576 310.764,577 1.166,578 5.043,579 0.171,580 0.005,581 0.051,582 0.036,583 0.033,584 0.021,585 0.012,586 0.009,587 0.008,588 0.005,589 0.352,590 0.17,591 0.75,592 0.39,593 184.084,594 -0.104,595 -0.183,596 0.002,597 -0.023,598 -0.083,599 0.014,600 0.148,601 -0.01,602 -0.006,603 -0.041,604 0.084,605 -0.089,606 -0.065,607 -0.011,608 -0.084,609 -0.094,610 -0.123,611 -0.126,612 -0.04,613 -0.28,614 0.019,615 -0.123,616 0.066,617 -0.049,618 -0.283,619 0.155,620 -0.079,621 0.091,622 -0.188,623 0.06,624 -0.01,625 -0.081,626 0.052,627 -0.062,628 0.003,629 -0.02,630 -0.001,631 0.119,632 -0.029,633 0.039,634 0.012,635 0.005,636 0.102,637 0.125,638 0.019,639 0.019,640 -0.02,641 -0.048,642 1.993,643 5.475,644 0.794,645 41.533,646 1.008,647 1.119,648 3.156,649 9.962,650 0.725,651 3.664,652 3.97,653 4.22,654 4.5,655 4.7,656 4.779,657 4.934,658 5.094,659 5.187,660 5.308,661 8.088,662 0.696,663 514.42,664 3.664,665 5.198,666 6.038,667 6.907,668 7.76,669 8.635,670 9.496,671 10.375,672 11.242,673 12.124,674 13,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,715 1,716 54,718 29,719 2,720 38,721 1,722 58,723 25,724 23,725 4,726 8,728 5,729 6,731 1,740 24,741 1,744 1,749 1,753 1,760 20,761 7,762 3,763 9,764 1,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,822 1,827 34,833 1,834 3,849 1,850 1.9,853 1,858 16.333,859 9.61,860 7.417,861 2.993,863 4.965,864 1.6,865 1.042,866 6.631,867 13.235,868 3.989,869 4.613,870 5.198,871 5.814,872 6.335,873 6.609,874 7.062,875 7.526,876 7.848,877 8.263,878 1,879 50,880 12.48,881 5.279,882 7.699,883 23.712,884 19.197,885 2.199,886 74.75,890 200.109,891 168.121,892 151.629,894 25.145,897 214.075,898 225.254,899 105.675,901 38.127,902 112.857,903 130.541,904 46.125,905 30.146,906 141.253,907 45.954,908 200.109,909 273.796,910 25.145,912 45.954,913 200.109,914 25.145,917 71.028,918 134.401,919 68.367,920 45.954,921 200.109,922 130.82,923 214.075,926 200.109,927 28.121,928 141.286,929 99.986,930 75.502,931 200.109,932 130.82,933 214.075,935 0.575,936 0.326,937 0.182,938 0.096,939 25,940 10,941 0.103,942 6,943 1,944 1.074,945 4.638,946 316.614,947 0.074,948 27,949 168.974,954 22.232,955 10.141,956 5.51,957 0.737,958 129.534,959 27.941,960 13.293,964 5.617,966 54.032,967 545.004,968 53,973 12.475,977 -0.326,980 54.454,981 60.446,983 0.285,984 0.633,985 0.82,986 0.936,987 0.955,988 0.968,989 5.198,990 1.756,991 5.999,992 5.734,993 4.654,994 5.301,995 1.897,996 6.765,997 4.551,998 6.404,999 1.498,1000 7.52,1001 4.749,1002 4.111,1003 4.997,1004 1.195,1005 7.526,1006 3.93,1007 7.699,1008 1.447,1009 9.137,1010 4.041,1011 6.201,1012 7.514,1013 2.448,1014 10.628,1015 6.006,1016 9.029,1017 1.191,1018 10.812,1019 3.186,1020 6.479,1021 8.053,1022 2.324,1023 12.242,1024 6.211,1025 10.389,1026 1.166,1027 12.526,1028 2.684,1029 8.007,1030 10.009,1031 3.25,1032 14.838,1033 7.72,1034 11.771,1035 1,1036 14.267,1037 2.581,1038 8.689,1039 10.984,1040 3.407,1041 16.836,1042 8.33,1043 13.171,1044 1,1045 16.029,1046 2.381,1047 9.972,1048 12.684,1049 4.157,1050 19.253,1051 9.585,1052 3.133,1053 0.879,1054 17.808,1055 2.2,1056 10.863,1057 13.901,1058 4.464,1059 21.431,1060 10.405,1061 2.804,1062 10.48,1063 19.6,1064 2.136,1065 12.038,1066 15.48,1067 5.112,1068 23.788,1069 11.542,1070 2.691,1071 8.968,1072 21.403,1073 4.516,1074 13.037,1075 16.829,1076 5.504,1077 26.05,1078 12.473,1079 2.521,1080 7.773,1081 23.216,1082 3.806,1083 14.168,1084 18.355,1085 6.091,1086 28.388,1087 13.558,1088 2.419,1089 7.075,1090 25.036,1091 3.66,1092 15.224,1093 19.775,1094 6.531,1095 30.69,1096 14.547,1097 2.104,1098 7.012,1099 26.865,1100 3.446,1101 16.341,1102 21.28,1103 7.083,1104 33.026,1105 15.612,1106 2.075,1107 6.259,1108 28.699,1109 3.129,1110 17.427,1111 22.738,1112 7.551,1113 35.347,1114 16.634,1115 17300,1116 29995,1117 26.235,1118 39.176,1119 56.823,1120 57.408,1121 56.968,1122 56.38,1123 56.199,1124 77.778,1125 5.121,1126 156.601,1127 53.156,1128 5.442,1129 5.564,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 11.325,1138 1.495,1139 1.511,1140 1.499,1141 1.484,1142 1.479,1143 2.047,1144 0.135,1145 4.121,1146 1.399,1147 4.128,1148 4.18,1149 6.88,1150 3.975,1151 7.431,1152 3.997,1153 3.923,1154 3.958,1155 4.1,1156 3.857,1157 5.115,1158 3.843,1159 3.877,1160 3.919,1161 3.842,1162 3.787,1163 4.897,1164 3.791,1165 3.853,1166 3.887,1167 3.808,1168 3.751,1169 4.773,1170 3.76,1171 3.435,1172 3.481,1173 3.743,1174 3.192,1175 4.733,1176 3.228,1177 3.342,1178 3.423,1179 3.365,1180 3.109,1181 4.437,1182 3.137,1183 3.191,1184 3.253,1185 3.253,1186 3.02,1187 4.116,1188 3.03,1189 2.915,1190 2.987,1191 3.096,1192 2.872,1193 4.012,1194 2.803,1195 0.12,1196 0.094,1197 0.173,1198 0.107,1199 0.082,1200 4.574,1201 0.119,1202 3.564,1203 0.044,1204 6.573,1205 0.276,1206 4.073,1207 0.078,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.882,1220 1.857,1221 1.979,1222 1.992,1223 1.091,1224 1.992,1225 1.855,1226 1.817,1227 1.958,1228 1.966,1229 1.068,1230 1.971,1231 1.737,1232 1.691,1233 1.819,1234 1.895,1235 0.907,1236 1.885,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.27,1244 1.225,1245 1.418,1246 1.568,1247 0.458,1248 1.525,1249 1.155,1250 1.072,1251 1.388,1252 1.423,1253 0.349,1254 1.423,1255 0.962,1256 0.915,1257 1.181,1258 1.131,1259 0.247,1260 1.13,1261 4.344,1263 5.652,1264 2.398,1265 7.148,1266 4.595,1267 8.729,1268 6.605,1269 10.357,1270 3.406,1277 0.596,1278 9.083,1289 37.577,1290 88.577,1291 196.677,1292 254.79,1293 290.764,1294 296.764,1295 300.764,1296 45.83,1297 8.27,1298 96.24,1299 96.24,1300 29,1301 12.662,1302 4.907,1303 4,1304 50.03,1305 163,1306 160,1307 0.145,1308 236.099,1309 392.87,1310 567.841,1311 53592,1312 1.9,1313 23.33,1314 0.686,1315 0.574,1316 24.33,1317 19.528,1318 16.636,1319 0.438,1320 0.298,1321 10.452,1322 15.501,1323 10.218,1324 8.474,1325 17.214,1326 11.337,1327 14.935,1328 0.287,1329 0.162,1330 15.751,1331 8.428,1332 12.211,1333 0.182,1334 0.083,1335 12.736,1336 5.575,1337 10.653,1338 0.12,1339 0.044,1340 11.19,1341 3.891,1342 8.29,1343 0.076,1344 0.023,1345 8.622,1346 2.461,1347 0.232,1348 111.974,1349 0.195,1350 31.833,1351 0.387,1352 180,1353 519.969,1354 261.767,1355 551.394,1356 753.78,1357 516,1358 209,1359 540.482,1360 253.579,1361 562.767,1362 817.33,1363 530,1364 6.672}
{0 CHEMBL1080360,1 1.519,2 13.794,3 3.889,4 15.12,5 131.57,6 7.887,7 0.737,8 4.156,9 4.282,10 3.78,11 3.717,12 5.319,13 3.712,14 4.633,15 4.796,16 4.121,17 4.089,18 5.789,19 4.062,20 4.852,21 5.05,22 4.118,23 4.192,24 5.925,25 4.13,26 4.903,27 5.135,28 4.078,29 4.126,30 5.949,31 4.062,32 4.866,33 5.095,34 4.048,35 4.084,36 5.967,37 4.04,38 4.817,39 5.028,40 4.087,41 4.121,42 5.923,43 4.072,44 4.841,45 5.051,46 4.07,47 4.149,48 5.966,49 4.09,50 4.819,51 5.039,52 3.989,53 4.143,54 5.846,55 4.053,56 0.036,57 0.904,58 10.257,59 4.428,60 8.462,61 5.683,62 0.268,63 1.415,64 18.354,65 7.279,66 24.39,67 9.672,68 0.297,69 1.672,70 24.996,71 9.475,72 35.067,73 12.64,74 0.207,75 1.689,76 28.529,77 9.996,78 37.615,79 13.973,80 0.442,81 1.631,82 28.056,83 8.641,84 51.734,85 11.512,86 0.246,87 1.561,88 25.348,89 9.2,90 38.131,91 12.365,92 0.436,93 1.606,94 26.167,95 9.191,96 55.725,97 12.16,98 0.345,99 1.556,100 25.495,101 9.934,102 33.462,103 13.596,104 5,105 52,106 0.243,107 0.581,108 0.763,109 0.864,110 0.881,111 0.892,112 3.56,113 0.857,114 -4.29,115 -4.22,116 -3.99,118 45.6,119 1,124 1,138 10,139 3,140 2,141 3,142 1,143 1,147 2,154 1,156 1,167 11,170 1,171 3,173 3,174 1,175 5,178 11,181 2,182 4,184 2,186 6,188 5,192 8,197 8,199 1,204 11,206 2,208 6,215 10,218 1,220 4,223 5,227 2,228 1,231 1,232 1,233 1,235 12,239 3,240 1,243 2,247 15,252 3,255 1,256 1,257 1,260 9,264 2262,265 23.394,266 23.394,267 23.394,268 23.394,269 23.394,270 19.922,271 23.86,272 14.083,273 23.835,274 18.852,275 18.852,276 18.852,277 18.852,278 18.852,279 13.671,280 37.567,281 6.791,282 19.565,283 4.314,284 2.205,285 1.065,286 0.434,287 0.329,288 0.259,289 4.271,294 1,295 1033,296 3.391,299 82.583,300 426.503,303 144.598,307 2.218,308 22.853,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 72.5,320 469,321 4.574,322 3.563,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.179,331 3.171,332 6.11,333 3.774,334 2.804,335 3.806,336 0.657,337 8.968,338 2.707,339 4.067,340 2.81,341 5.615,342 3.67,343 2.691,344 3.66,345 0.247,346 7.773,347 2.633,348 3.898,349 2.74,350 5.386,351 3.506,352 2.521,353 3.446,355 7.075,356 2.484,357 3.758,358 2.716,359 5.367,360 3.393,361 2.419,362 3.129,364 7.012,365 2.347,366 3.5,367 2.333,368 5.191,369 3.079,370 2.104,371 2.858,373 6.259,374 2.05,375 3.455,376 2.185,377 4.908,378 3.004,379 2.075,380 2.757,382 5.734,383 1.918,384 3.172,385 2.135,386 4.556,387 2.751,388 1.756,389 2.388,391 4.749,392 1.74,393 2.924,394 1.599,395 4.34,396 2.431,397 1.498,398 2.098,400 4.041,401 1.402,402 2.917,403 1.531,404 3.785,405 2.419,406 1.447,407 2.086,409 3.186,410 1.394,411 2.666,412 1.24,413 3.59,414 2.181,415 1.191,416 1.743,417 2.684,418 1.179,419 2.651,420 1.201,421 3.481,422 2.149,423 1.166,424 1.717,425 2.581,426 1.143,427 2.5,428 1.006,429 3.468,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.133,452 0.475,453 0.708,454 0.021,455 52,456 1.529,457 29,458 0.853,459 23,460 0.676,461 23.264,462 0.684,463 34.267,464 0.601,465 40.166,466 1.181,467 10.475,468 0.308,469 6.161,470 0.181,471 0.052,473 0.304,478 0.885,479 1.321,480 0.742,481 0.984,482 0.651,483 0.861,484 0.715,485 1.1,486 0.854,487 0.978,488 0.576,489 0.938,490 1.011,491 1.081,492 1.068,493 1.095,494 1.029,495 1.092,496 1.021,497 1.26,498 0.928,499 1.097,500 0.832,501 1.012,502 1.665,503 0.88,504 1.099,505 0.8,506 1.64,507 0.854,508 1.175,509 1.074,510 0.922,511 0.973,512 1.205,513 0.924,514 1.302,515 0.866,516 1.07,517 0.873,518 1.436,519 0.933,520 0.723,521 0.858,522 1.002,523 1.007,524 0.792,525 1.038,526 6.5,527 0.168,528 2.667,529 1.813,530 1.56,531 0.944,532 0.605,533 0.431,534 0.345,535 0.192,536 18687,537 48439,538 2.163,539 40.4,540 3,541 12,542 2,543 3,544 3,549 1.76,550 2.082,551 3.74,552 0.811,558 86.57,559 1.519,560 3.628,561 4.767,562 5.399,563 5.504,564 5.574,565 3.231,566 4.793,567 5.056,568 3.929,569 2204.12,570 8.868,571 34603.5,573 1,576 332.475,577 1.166,578 5.043,579 0.171,580 0.005,581 0.051,582 0.036,583 0.033,584 0.021,585 0.012,586 0.009,587 0.008,588 0.005,589 0.352,590 0.17,591 0.88,592 0.39,593 184.084,594 -0.08,595 -0.186,596 0.047,597 -0.037,598 -0.077,599 0.013,600 0.198,601 0.005,602 0.005,603 -0.036,604 0.109,605 -0.044,606 -0.025,607 -0.042,608 -0.142,609 -0.136,610 -0.119,611 -0.155,612 -0.026,613 -0.275,614 0.068,615 -0.128,616 0.082,617 -0.034,618 -0.256,619 0.157,620 -0.078,621 0.122,622 -0.166,623 0.064,624 -0.073,625 -0.074,626 0.046,627 -0.001,628 -0.002,629 0.033,630 -0.092,631 0.156,632 -0.1,633 0.084,634 -0.103,635 0.004,636 0.117,637 0.125,638 -0.049,639 -0.009,640 -0.011,641 -0.047,642 1.972,643 5.49,644 0.794,645 41.533,646 1.002,647 1.123,648 3.055,649 9.335,650 0.694,651 3.664,652 3.97,653 4.22,654 4.5,655 4.7,656 4.779,657 4.934,658 5.094,659 5.187,660 5.308,661 8.088,662 0.668,663 449.56,664 3.664,665 5.198,666 6.038,667 6.907,668 7.76,669 8.635,670 9.496,671 10.375,672 11.242,673 12.124,674 12.3,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,716 57,718 29,719 2,720 38,722 61,723 26,724 23,725 4,726 8,728 5,729 6,731 1,732 1,740 24,741 2,744 1,749 1,753 1,760 23,761 7,762 3,763 8,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,823 1,827 34,833 1,834 3,850 1.8,853 1,858 16.333,859 10.467,860 7.417,861 3.207,863 4.965,864 1.6,865 1.035,866 6.299,867 13.235,868 3.989,869 4.613,870 5.198,871 5.814,872 6.335,873 6.609,874 7.062,875 7.526,876 7.848,877 8.263,878 1,879 50,880 12.492,881 5.274,882 7.676,883 23.816,884 19.278,885 2.176,886 74,890 235.422,891 177.077,892 105.675,894 25.145,897 177.077,898 260.567,899 105.675,900 8.825,901 38.127,902 112.857,903 130.541,904 46.256,905 30.146,906 176.567,908 235.422,909 282.752,910 25.145,913 235.422,914 25.145,917 79.853,918 134.531,919 68.367,921 235.422,922 130.82,923 177.077,926 235.422,927 28.252,928 150.111,929 54.032,930 75.502,931 235.422,932 130.82,933 177.077,935 0.575,936 0.326,937 0.182,938 0.096,939 25,940 10,941 0.098,942 6,943 1,944 1.074,945 4.638,946 316.614,947 0.074,948 27,949 166.974,954 21.776,955 9.835,956 5.312,957 0.74,958 129.534,959 28.239,960 13.304,964 5.885,966 54.032,967 543.319,968 53,973 12.49,977 -0.305,980 57.109,981 64.019,983 0.26,984 0.622,985 0.817,986 0.926,987 0.944,988 0.956,989 5.198,990 1.756,991 5.999,992 5.734,993 4.654,994 5.301,995 1.897,996 6.765,997 4.58,998 6.404,999 1.498,1000 7.52,1001 4.749,1002 4.111,1003 4.997,1004 1.195,1005 7.526,1006 4.01,1007 7.699,1008 1.447,1009 9.137,1010 4.041,1011 6.201,1012 7.514,1013 2.448,1014 10.628,1015 6.05,1016 9.029,1017 1.191,1018 10.812,1019 3.186,1020 6.479,1021 8.053,1022 2.324,1023 12.242,1024 6.287,1025 10.389,1026 1.166,1027 12.526,1028 2.684,1029 8.007,1030 10.009,1031 3.25,1032 14.838,1033 7.774,1034 11.771,1035 1,1036 14.267,1037 2.581,1038 8.689,1039 10.984,1040 3.407,1041 16.836,1042 8.402,1043 13.171,1044 1,1045 16.029,1046 2.381,1047 9.972,1048 12.684,1049 4.157,1050 19.253,1051 9.644,1052 3.133,1053 0.879,1054 17.808,1055 2.2,1056 10.863,1057 13.901,1058 4.464,1059 21.431,1060 10.473,1061 2.804,1062 10.48,1063 19.6,1064 2.136,1065 12.038,1066 15.48,1067 5.112,1068 23.788,1069 11.603,1070 2.691,1071 8.968,1072 21.403,1073 4.516,1074 13.037,1075 16.829,1076 5.504,1077 26.05,1078 12.537,1079 2.521,1080 7.773,1081 23.216,1082 3.806,1083 14.168,1084 18.355,1085 6.091,1086 28.388,1087 13.618,1088 2.419,1089 7.075,1090 25.036,1091 3.66,1092 15.224,1093 19.775,1094 6.531,1095 30.69,1096 14.608,1097 2.104,1098 7.012,1099 26.865,1100 3.446,1101 16.341,1102 21.28,1103 7.083,1104 33.026,1105 15.669,1106 2.075,1107 6.259,1108 28.699,1109 3.129,1110 17.427,1111 22.738,1112 7.551,1113 35.347,1114 16.69,1115 17300,1116 28033,1117 26.235,1118 39.586,1119 56.823,1120 57.356,1121 56.968,1122 56.138,1123 56.199,1124 77.778,1125 5.121,1126 156.601,1127 54.171,1128 5.442,1129 5.563,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 11.325,1138 1.495,1139 1.509,1140 1.499,1141 1.477,1142 1.479,1143 2.047,1144 0.135,1145 4.121,1146 1.426,1147 4.128,1148 4.18,1149 4.101,1150 3.975,1151 7.431,1152 3.998,1153 3.939,1154 3.976,1155 3.88,1156 3.855,1157 5.115,1158 3.854,1159 3.878,1160 3.919,1161 3.815,1162 3.787,1163 4.897,1164 3.791,1165 3.859,1166 3.896,1167 3.799,1168 3.75,1169 4.77,1170 3.761,1171 3.449,1172 3.498,1173 3.396,1174 3.198,1175 4.731,1176 3.237,1177 3.345,1178 3.427,1179 3.258,1180 3.12,1181 4.437,1182 3.144,1183 3.201,1184 3.269,1185 3.101,1186 3.032,1187 4.116,1188 3.038,1189 3.142,1190 3.218,1191 2.958,1192 2.973,1193 4.027,1194 2.965,1195 0.12,1196 0.094,1197 0.173,1198 0.107,1199 0.082,1200 4.574,1201 0.119,1202 3.563,1203 0.044,1204 6.573,1205 0.276,1206 4.073,1207 0.078,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.967,1214 1.935,1215 2.049,1216 2.107,1217 1.156,1218 2.086,1219 1.913,1220 1.883,1221 2.032,1222 2.017,1223 1.13,1224 2.021,1225 1.855,1226 1.817,1227 1.978,1228 1.977,1229 1.09,1230 1.982,1231 1.737,1232 1.691,1233 1.819,1234 1.902,1235 0.907,1236 1.888,1237 1.401,1238 1.341,1239 1.56,1240 1.614,1241 0.615,1242 1.603,1243 1.309,1244 1.255,1245 1.56,1246 1.599,1247 0.579,1248 1.569,1249 1.17,1250 1.096,1251 1.415,1252 1.424,1253 0.457,1254 1.431,1255 1.147,1256 1.067,1257 1.378,1258 1.389,1259 0.339,1260 1.415,1261 4.344,1263 5.652,1264 2.398,1265 7.148,1266 4.595,1267 8.729,1268 6.605,1269 10.357,1271 1.983,1277 0.599,1278 9.132,1289 38.079,1290 86.57,1291 206.778,1292 271.746,1293 307.72,1294 313.72,1295 317.72,1296 45.537,1297 8.27,1298 96.24,1299 96.24,1300 29,1301 12.662,1302 4.907,1303 4,1304 50.03,1305 163,1306 160,1307 0.145,1308 233.777,1309 390.89,1310 562.176,1311 53592,1313 23.33,1314 0.686,1315 0.546,1316 23.33,1317 18.564,1318 16.636,1319 0.438,1320 0.286,1321 10.715,1322 16.075,1323 10.462,1324 8.732,1325 16.636,1326 10.855,1327 14.935,1328 0.287,1329 0.151,1330 14.935,1331 7.871,1332 12.211,1333 0.182,1334 0.079,1335 12.211,1336 5.276,1337 10.653,1338 0.12,1339 0.041,1340 10.653,1341 3.648,1342 8.29,1343 0.076,1344 0.021,1345 8.29,1346 2.333,1347 0.232,1348 103.602,1349 0.195,1350 31.833,1351 0.387,1352 180,1353 501.315,1354 195.897,1355 498.158,1356 694.98,1357 468,1358 209,1359 526.749,1360 225.315,1361 537.974,1362 780.19,1363 506,1364 6.523}
{0 CHEMBL1080362,1 1.705,2 14.73,3 5.495,4 30.197,5 134.66,6 8.664,7 0.683,8 4.19,9 4.305,10 3.872,11 3.74,12 5.416,13 3.758,14 4.694,15 4.836,16 4.296,17 4.114,18 6.302,19 4.118,20 4.9,21 5.09,22 4.254,23 4.212,24 6.124,25 4.182,26 4.964,27 5.183,28 4.23,29 4.135,30 6.215,31 4.122,32 4.906,33 5.118,34 4.208,35 4.093,36 6.215,37 4.089,38 4.872,39 5.074,40 4.17,41 4.133,42 6.099,43 4.112,44 4.882,45 5.08,46 4.242,47 4.163,48 6.372,49 4.13,50 4.854,51 5.064,52 4.069,53 4.162,54 5.984,55 4.096,56 0.167,57 1.11,58 8.41,59 4.749,60 21.458,61 5.207,62 0.928,63 2.098,64 16.769,65 7.975,66 132.038,67 8.9,68 0.556,69 1.967,70 23.595,71 10.205,72 45.054,73 12.338,74 0.753,75 2.076,76 29.27,77 10.562,78 85.99,79 12.646,80 0.923,81 1.935,82 27.32,83 9.007,84 87.633,85 10.565,86 0.716,87 1.847,88 25.601,89 9.728,90 91.116,91 11.276,92 1.092,93 1.822,94 25.373,95 9.527,96 146.885,97 12.02,98 0.623,99 1.762,100 24.679,101 10.276,102 63.412,103 12.709,104 18,105 58,106 0.272,107 0.567,108 0.711,109 0.838,110 0.883,111 0.894,112 3.642,113 0.828,114 -5.53,115 -5.41,116 -5.05,118 46.6,124 1,130 1,138 13,139 3,140 2,141 1,142 1,143 1,147 2,154 1,156 1,167 14,170 1,171 1,173 3,174 1,175 5,178 14,181 2,182 3,184 2,186 6,188 7,192 8,197 9,204 11,206 1,208 7,215 11,218 1,220 3,223 5,227 1,228 6,231 1,232 1,233 1,235 12,239 1,240 3,243 2,247 15,252 2,255 1,256 1,257 1,260 12,264 2817,265 24.866,266 24.866,267 24.866,268 24.866,269 24.866,270 21.485,271 25.89,272 14.724,273 25.484,274 20.327,275 20.327,276 20.327,277 20.327,278 20.327,279 15.209,280 40.25,281 7.075,282 21.425,283 4.153,284 2.304,285 1.4,286 0.606,287 0.323,288 0.254,289 4.347,295 1188,296 4.183,299 92.544,300 473.855,303 161.662,307 2.386,308 48.958,311 0.5,312 0.83,313 0.83,314 0.5,316 0.83,317 1,318 0.64,319 82.5,320 545,321 4.574,322 4.46,323 7.116,324 4.18,325 3.32,326 4.516,327 3.825,328 11.69,329 2.956,330 4.453,331 3.563,332 6.573,333 4.073,334 3.133,335 3.87,336 1.656,337 10.48,338 2.898,339 4.176,340 3.171,341 6.11,342 3.767,343 2.798,344 3.803,345 0.657,346 8.968,347 2.698,348 3.899,349 2.807,350 5.568,351 3.556,352 2.6,353 3.446,354 0.247,355 7.629,356 2.501,357 3.892,358 2.725,359 5.367,360 3.51,361 2.52,362 3.189,364 7.012,365 2.453,366 3.686,367 2.585,368 5.335,369 3.296,370 2.337,371 3.063,373 6.942,374 2.22,375 3.479,376 2.327,377 5.191,378 3.009,379 2.084,380 2.849,382 6.259,383 1.922,384 3.376,385 2.185,386 4.76,387 2.929,388 1.945,389 2.616,391 5.307,392 1.892,393 2.945,394 1.844,395 4.458,396 2.49,397 1.529,398 2.129,400 4.329,401 1.485,402 2.92,403 1.599,404 4.328,405 2.478,406 1.498,407 2.09,409 3.982,410 1.438,411 2.858,412 1.531,413 3.785,414 2.385,415 1.416,416 1.972,417 3.186,418 1.354,419 2.659,420 1.201,421 3.59,422 2.152,423 1.177,424 1.731,425 2.68,426 1.145,427 2.57,428 1.189,429 3.489,430 2.092,431 1.111,432 1.6,433 2.534,434 1.078,435 2.5,436 1.006,437 3.469,438 2,439 1,440 1.5,441 2.381,442 1,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.09,452 0.462,453 0.997,454 0.027,455 53.75,456 1.453,457 29,458 0.784,459 24.75,460 0.669,461 26.794,462 0.724,463 38.71,464 0.667,465 46.461,466 1.256,467 11.033,468 0.298,469 6.815,470 0.184,471 0.07,472 0.029,473 0.287,476 3,478 0.634,479 1.032,480 0.641,481 0.956,482 0.582,483 0.835,484 0.43,485 0.832,486 0.751,487 0.991,488 0.377,489 0.984,490 0.664,491 0.925,492 0.911,493 1.089,494 0.59,495 1.086,496 1.038,497 1.12,498 0.99,499 1.055,500 0.934,501 1.008,502 1.027,503 0.803,504 1.031,505 0.826,506 0.969,507 0.883,508 1.007,509 0.902,510 1.023,511 0.93,512 0.971,513 0.956,514 0.449,515 0.625,516 0.853,517 0.844,518 0.403,519 0.943,520 0.655,521 0.744,522 1.013,523 0.983,524 0.628,525 1.08,526 8.5,527 0.234,528 3.556,529 2.188,530 1.858,531 1.187,532 0.809,533 0.462,534 0.444,535 0.252,536 23292,537 76528,538 2.11,539 36.2,541 15,542 2,543 1,544 3,549 1.78,550 1.991,551 3.828,552 0.809,558 98.878,559 1.705,560 3.554,561 4.458,562 5.252,563 5.535,564 5.604,565 3.287,566 4.757,567 5.18,568 4.039,569 2690.18,570 9.109,571 45354.2,576 339.763,577 1.444,578 5.144,579 0.207,580 0.006,581 0.061,582 0.039,583 0.035,584 0.023,585 0.016,586 0.009,587 0.009,588 0.006,589 0.411,590 0.17,591 0.63,592 0.629,593 206.273,594 -0.066,595 -0.105,596 0.021,597 -0.014,598 -0.1,599 0.025,600 0.413,601 0.207,602 0.032,603 -0.044,604 0.407,605 -0.116,606 -0.009,607 -0.108,608 -0.043,609 -0.144,610 0.004,611 -0.122,612 -0.125,613 -0.195,614 0.003,615 -0.102,616 -0.06,617 -0.026,618 -0.085,619 0.082,620 -0.057,621 0.084,622 -0.061,623 0.046,624 -0.151,625 -0.015,626 -0.085,627 0.025,628 -0.128,629 0.009,630 0.306,631 0.185,632 0.061,633 0.093,634 0.322,635 0.019,636 -0.021,637 0.052,638 -0.104,639 -0.009,640 -0.049,641 -0.063,642 5.749,643 5.463,644 0.73,645 47.173,646 1.025,647 1.137,648 4.301,649 18.5,650 0.692,651 3.738,652 4.078,653 4.304,654 4.564,655 4.779,656 4.852,657 5.037,658 5.13,659 5.252,660 5.352,661 8.719,662 0.685,663 502.54,664 3.738,665 5.293,666 6.133,667 7.015,668 7.871,669 8.754,670 9.619,671 10.503,672 11.374,673 12.259,674 10.3,679 1,681 2,682 1,684 2,689 1,690 16,691 2,695 7,697 28,709 1,716 58,718 29,719 3,720 41,722 62,723 27,724 24,725 5,726 13,728 5,729 6,731 1,732 1,737 1,740 25,741 2,744 1,749 1,753 1,758 3,760 21,761 9,762 3,763 10,766 1,769 6,775 0.8,776 1,784 1,793 1,794 4,797 1,819 4,825 3,827 37,833 1,834 3,839 1,849 3,850 1.7,853 1,858 18.583,859 10.279,860 7.917,861 3.215,863 5.064,864 1.597,865 1.037,866 6.911,867 13.548,868 4.043,869 4.67,870 5.246,871 5.853,872 6.382,873 6.657,874 7.129,875 7.538,876 7.874,877 8.275,878 0.9,879 56,880 14.116,881 6.538,882 8.101,883 25.194,884 20.555,885 2.601,886 96.25,890 211.88,891 186.345,892 88.89,894 25.145,895 44.88,897 186.345,898 237.025,899 133.77,901 38.127,902 141.286,903 90.213,904 73.041,905 30.146,906 176.567,907 7.76,908 211.88,909 275.235,910 70.025,913 211.88,914 70.025,917 60.693,918 162.96,919 51.582,921 256.76,922 114.035,923 186.345,926 219.639,927 28.252,928 151.62,929 54.032,930 103.596,931 211.88,932 158.915,933 186.345,935 0.586,936 0.327,937 0.175,938 0.095,939 28,940 12,941 0.097,942 6,943 1,944 1.074,945 4.796,946 355.438,947 0.074,948 27,949 183.995,954 24.51,955 10.434,956 5.974,957 0.675,958 157.629,959 26.714,960 9.136,964 2.714,966 54.032,967 557.14,968 56,973 12.463,977 -0.667,980 59.429,981 65.955,983 0.291,984 0.607,985 0.761,986 0.897,987 0.945,988 0.957,989 5.278,990 1.945,991 6.138,992 6.259,993 4.762,994 5.359,995 3.277,996 6.954,997 4.659,998 6.504,999 1.529,1000 7.701,1001 5.307,1002 4.443,1003 5.147,1004 3.949,1005 8.003,1006 4.19,1007 7.818,1008 1.498,1009 9.373,1010 4.329,1011 6.399,1012 7.577,1013 5.466,1014 11.024,1015 6.163,1016 9.168,1017 1.416,1018 11.113,1019 3.982,1020 6.889,1021 8.172,1022 6.701,1023 12.906,1024 6.481,1025 10.549,1026 1.177,1027 12.898,1028 3.186,1029 8.344,1030 10.081,1031 8.066,1032 15.499,1033 7.935,1034 11.951,1035 1.111,1036 14.715,1037 2.68,1038 9.199,1039 11.085,1040 9.391,1041 17.71,1042 8.622,1043 13.371,1044 1,1045 16.557,1046 2.534,1047 10.464,1048 12.76,1049 10.736,1050 20.18,1051 9.852,1052 3.32,1053 1,1054 18.418,1055 2.381,1056 11.488,1057 13.987,1058 12.075,1059 22.522,1060 10.723,1061 3.133,1062 11.69,1063 20.294,1064 2.2,1065 12.683,1066 15.552,1067 13.417,1068 24.959,1069 11.853,1070 2.798,1071 10.48,1072 22.182,1073 4.516,1074 13.787,1075 16.902,1076 14.758,1077 27.355,1078 12.817,1079 2.6,1080 8.968,1081 24.081,1082 3.87,1083 14.96,1084 18.419,1085 16.1,1086 29.788,1087 13.903,1088 2.52,1089 7.629,1090 25.988,1091 3.803,1092 16.101,1093 19.836,1094 17.441,1095 32.208,1096 14.914,1097 2.337,1098 7.012,1099 27.902,1100 3.446,1101 17.271,1102 21.335,1103 18.783,1104 34.643,1105 15.984,1106 2.084,1107 6.942,1108 29.822,1109 3.189,1110 18.431,1111 22.789,1112 20.124,1113 37.075,1114 17.019,1115 21791,1116 39827,1117 27.622,1118 40.154,1119 62.47,1120 62.271,1121 61.735,1122 61.73,1123 61.527,1124 83.118,1125 12.772,1126 177.513,1127 58.396,1128 5.446,1129 6.46,1130 6.918,1131 5.251,1132 5.32,1133 7.516,1134 5.335,1135 18.668,1136 4.956,1137 17.049,1138 1.524,1139 1.519,1140 1.506,1141 1.506,1142 1.501,1143 2.027,1144 0.312,1145 4.33,1146 1.424,1147 4.129,1148 4.181,1149 4.101,1150 3.978,1151 8.513,1152 4,1153 3.951,1154 3.985,1155 3.911,1156 3.855,1157 7.999,1158 3.86,1159 3.901,1160 3.935,1161 3.829,1162 3.841,1163 7.999,1164 3.834,1165 3.866,1166 3.9,1167 3.813,1168 3.764,1169 7.431,1170 3.775,1171 3.47,1172 3.515,1173 3.45,1174 3.2,1175 5.114,1176 3.244,1177 3.365,1178 3.443,1179 3.294,1180 3.147,1181 4.764,1182 3.171,1183 3.283,1184 3.331,1185 3.244,1186 3.066,1187 4.744,1188 3.081,1189 3.194,1190 3.251,1191 3.104,1192 2.97,1193 4.704,1194 3.012,1195 0.112,1196 0.109,1197 0.174,1198 0.102,1199 0.081,1200 4.574,1201 0.11,1202 4.46,1203 0.093,1204 7.116,1205 0.285,1206 4.18,1207 0.072,1208 3.32,1209 4.516,1210 3.825,1211 11.69,1212 2.956,1213 1.968,1214 1.937,1215 2.055,1216 2.107,1217 1.169,1218 2.087,1219 1.909,1220 1.881,1221 2.029,1222 2.02,1223 1.134,1224 2.016,1225 1.9,1226 1.873,1227 1.998,1228 1.989,1229 1.098,1230 1.999,1231 1.743,1232 1.697,1233 1.826,1234 1.905,1235 0.917,1236 1.892,1237 1.407,1238 1.347,1239 1.579,1240 1.618,1241 0.677,1242 1.61,1243 1.289,1244 1.244,1245 1.457,1246 1.603,1247 0.477,1248 1.545,1249 1.213,1250 1.143,1251 1.402,1252 1.441,1253 0.364,1254 1.449,1255 1.078,1256 1.039,1257 1.205,1258 1.407,1259 0.266,1260 1.322,1261 4.419,1263 5.753,1264 2.398,1265 7.268,1266 4.595,1267 8.864,1268 6.605,1269 10.505,1273 38.86,1277 0.567,1278 8.43,1283 -4.499,1289 39.734,1290 98.878,1291 206.147,1292 258.538,1293 304.643,1294 321.008,1295 325.008,1296 72.346,1297 8.484,1298 83.35,1299 83.35,1300 29,1301 12.794,1302 4.907,1303 4,1304 56.872,1305 193,1306 186,1307 0.139,1308 240.17,1309 415.4,1310 577.774,1311 71073,1312 5.2,1313 25.83,1314 0.698,1315 0.522,1316 23.33,1317 19.328,1318 17.847,1319 0.435,1320 0.276,1321 11.123,1322 17.068,1323 10.978,1324 9.073,1325 16.636,1326 11.323,1327 16.893,1328 0.291,1329 0.142,1330 14.935,1331 8.211,1332 13.174,1333 0.18,1334 0.076,1335 12.211,1336 5.541,1337 11.171,1338 0.118,1339 0.04,1340 10.653,1341 3.794,1342 8.931,1343 0.076,1344 0.021,1345 8.29,1346 2.486,1347 0.224,1348 112.62,1349 0.19,1350 34.129,1351 0.368,1352 198,1353 758.003,1354 229.526,1355 660.703,1356 881.1,1357 614,1358 230,1359 636.636,1360 255.459,1361 627.729,1362 934.54,1363 590,1364 4.301}
{0 CHEMBL1080530,1 1.584,2 14.486,3 3.386,4 11.464,5 132.992,6 8.027,7 0.718,8 4.182,9 4.302,10 3.817,11 3.715,12 5.364,13 3.723,14 4.657,15 4.814,16 4.149,17 4.077,18 5.833,19 4.066,20 4.856,21 5.045,22 4.157,23 4.182,24 5.951,25 4.138,26 4.9,27 5.113,28 4.126,29 4.139,30 5.986,31 4.088,32 4.913,33 5.14,34 4.092,35 4.116,36 6.01,37 4.074,38 4.852,39 5.055,40 4.124,41 4.145,42 5.993,43 4.098,44 4.874,45 5.091,46 4.112,47 4.166,48 5.98,49 4.109,50 4.852,51 5.062,52 4.027,53 4.142,54 5.934,55 4.068,56 0.066,57 0.916,58 10.197,59 4.515,60 9.067,61 5.585,62 0.359,63 1.415,64 18.75,65 7.298,66 28.712,67 9.222,68 0.388,69 1.655,70 24.764,71 9.298,72 37.628,73 12.014,74 0.324,75 1.679,76 27.296,77 9.695,78 38.412,79 13.229,80 0.532,81 1.669,82 29.477,83 9.251,84 55.866,85 12.23,86 0.471,87 1.607,88 25.761,89 9.218,90 48.903,91 12.305,92 0.443,93 1.636,94 27.095,95 9.814,96 49.346,97 13.2,98 0.467,99 1.581,100 26.146,101 9.79,102 46.635,103 12.905,104 6,105 53,106 0.253,107 0.594,108 0.768,109 0.867,110 0.883,111 0.894,112 3.588,113 0.844,114 -3.55,115 -3.52,116 -3.36,118 44.8,123 1,124 1,138 10,139 2,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 8,170 1,171 5,173 3,174 1,175 5,178 8,181 2,182 5,184 2,186 5,188 3,192 9,195 1,197 7,204 10,206 2,208 5,214 1,215 9,218 2,220 3,223 5,227 2,228 1,231 1,232 1,233 1,235 10,239 3,240 3,243 2,247 11,252 5,255 1,256 1,257 1,260 6,264 2463,265 24.264,266 24.264,267 24.264,268 24.264,269 24.264,270 20.845,271 25.748,272 14.585,273 24.884,274 19.28,275 19.28,276 19.28,277 19.28,278 19.28,279 14.094,280 40.535,281 6.937,282 20.181,283 4.274,284 2.133,285 1.047,286 0.427,287 0.323,288 0.254,289 4.299,294 1,295 1114,296 3.536,299 85.903,300 442.287,303 150.286,307 2.271,308 26.188,311 1,312 0.67,313 1,314 0.6,316 1,317 1,318 0.75,319 75.5,320 507,321 4.574,322 3.563,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.18,331 3.171,332 6.11,333 3.775,334 2.806,335 3.806,336 0.86,337 8.968,338 2.705,339 4.087,340 2.893,341 5.658,342 3.679,343 2.713,344 3.68,345 0.657,346 7.904,347 2.614,348 3.898,349 2.804,350 5.422,351 3.506,352 2.521,353 3.446,354 0.247,355 7.175,356 2.484,357 3.766,358 2.724,359 5.367,360 3.401,361 2.439,362 3.13,364 7.012,365 2.338,366 3.512,367 2.356,368 5.191,369 3.098,370 2.145,371 2.86,373 6.26,374 2.042,375 3.463,376 2.283,377 5.061,378 3.005,379 2.081,380 2.778,382 6.128,383 1.918,384 3.211,385 2.185,386 4.617,387 2.777,388 1.799,389 2.427,391 4.896,392 1.742,393 2.925,394 1.599,395 4.348,396 2.431,397 1.498,398 2.1,400 4.053,401 1.403,402 2.917,403 1.531,404 3.785,405 2.42,406 1.451,407 2.087,409 3.186,410 1.394,411 2.675,412 1.333,413 3.59,414 2.193,415 1.208,416 1.754,417 2.688,418 1.188,419 2.655,420 1.201,421 3.494,422 2.15,423 1.171,424 1.723,425 2.612,426 1.144,427 2.5,428 1.006,429 3.469,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.467,452 0.47,453 0.67,454 0.019,455 53.5,456 1.529,457 29.5,458 0.843,459 24,460 0.686,461 23.627,462 0.675,463 35.733,464 0.616,465 42.309,466 1.209,467 10.919,468 0.312,469 6.255,470 0.179,471 0.051,473 0.298,478 0.9,479 1.363,480 0.726,481 1.031,482 0.661,483 0.873,484 0.956,485 1.083,486 0.883,487 0.942,488 0.667,489 0.909,490 1.05,491 1.061,492 1.044,493 1.048,494 1.041,495 1.046,496 0.942,497 1.292,498 0.968,499 1.146,500 0.857,501 1.07,502 1.394,503 0.901,504 1.055,505 0.815,506 1.535,507 0.858,508 0.93,509 1.053,510 0.973,511 0.981,512 1.116,513 0.976,514 0.899,515 0.907,516 0.933,517 0.904,518 0.97,519 0.918,520 0.951,521 0.858,522 1.085,523 0.998,524 1.275,525 1.054,526 6.5,527 0.176,528 2.667,529 1.813,530 1.6,531 1.007,532 0.646,533 0.431,534 0.345,535 0.192,536 20218,537 55652,538 2.158,539 39.7,541 15,542 2,543 3,544 3,549 1.767,550 2.079,551 3.802,552 0.82,558 91.858,559 1.584,560 3.725,561 4.811,562 5.431,563 5.535,564 5.604,565 3.269,566 4.901,567 5.098,568 3.978,569 2366.64,570 8.95,571 38119.5,576 339.763,577 1.15,578 5.086,579 0.167,580 0.005,581 0.05,582 0.035,583 0.033,584 0.021,585 0.013,586 0.009,587 0.008,588 0.005,589 0.345,590 0.33,591 0.75,592 0.529,593 191.551,594 -0.087,595 -0.221,596 0.049,597 -0.071,598 -0.075,600 0.057,601 0.021,602 -0.019,603 0.004,604 0.061,605 -0.022,606 -0.074,607 -0.014,608 -0.124,609 -0.088,610 -0.121,611 -0.113,612 -0.017,613 -0.285,614 -0.001,615 -0.181,616 0.049,617 -0.104,618 -0.21,619 0.114,620 -0.039,621 0.124,622 -0.146,623 0.085,624 0.053,625 -0.03,626 -0.021,627 -0.015,628 0.038,629 -0.023,630 0.012,631 0.098,632 0.031,633 0.074,634 0.05,635 0.059,636 -0.012,637 0.142,638 -0.129,639 -0.013,640 -0.139,641 -0.079,642 2.02,643 5.538,644 0.771,645 43.739,646 1.008,647 1.125,648 2.316,649 5.365,650 0.69,651 3.689,652 3.989,653 4.248,654 4.522,655 4.727,656 4.804,657 4.97,658 5.106,659 5.209,660 5.323,661 8.335,662 0.669,663 465.56,664 3.689,665 5.22,666 6.061,667 6.929,668 7.784,669 8.657,670 9.52,671 10.397,672 11.265,673 12.146,674 12.1,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,714 1,716 58,718 29,719 2,720 39,722 62,723 26,724 23,725 4,726 8,728 5,729 6,731 1,740 24,741 2,744 1,749 1,753 1,760 23,761 8,762 3,763 9,766 1,769 7,775 0.8,776 2,784 1,787 1,793 1,794 4,797 1,819 4,823 1,827 35,833 1,834 3,835 1,850 3.4,853 1,855 1,858 16.833,859 10.633,860 7.75,861 3.165,863 5.004,864 1.6,865 1.024,866 6.774,867 13.35,868 4.007,869 4.623,870 5.214,871 5.827,872 6.351,873 6.625,874 7.084,875 7.53,876 7.857,877 8.267,878 0.9,879 52,880 12.846,881 5.401,882 7.714,883 24.351,884 19.522,885 2.214,886 77.5,890 235.422,891 181.192,892 105.675,894 36.145,897 181.192,898 271.567,899 105.675,900 10.883,901 38.127,902 112.857,903 130.541,904 59.313,905 30.146,906 176.567,908 235.422,909 286.868,910 36.145,913 235.422,914 36.145,917 71.028,918 147.472,919 68.367,921 235.422,922 141.82,923 181.192,926 235.422,927 30.31,928 152.169,929 54.032,930 86.501,931 235.422,932 141.82,933 181.192,935 0.571,936 0.33,937 0.183,938 0.097,939 25,940 10,941 0.113,942 7,943 1,944 1.074,945 4.717,946 328.125,947 0.074,948 27,949 175.525,954 22.689,955 10.449,956 5.529,957 0.731,958 140.534,959 27.643,960 13.295,964 5.288,966 54.032,967 558.434,968 54,973 12.538,977 -0.354,980 58.436,981 65.229,983 0.27,984 0.636,985 0.821,986 0.927,987 0.945,988 0.957,989 5.215,990 1.799,991 6.019,992 6.128,993 4.673,994 5.311,995 2.097,996 6.786,997 4.585,998 6.416,999 1.498,1000 7.541,1001 4.896,1002 4.111,1003 4.997,1004 1.195,1005 7.554,1006 3.988,1007 7.71,1008 1.451,1009 9.159,1010 4.053,1011 6.221,1012 7.521,1013 2.538,1014 10.651,1015 6.047,1016 9.039,1017 1.208,1018 10.835,1019 3.186,1020 6.494,1021 8.06,1022 2.324,1023 12.269,1024 6.271,1025 10.399,1026 1.171,1027 12.549,1028 2.688,1029 8.028,1030 10.016,1031 3.281,1032 14.859,1033 7.766,1034 11.782,1035 1,1036 14.291,1037 2.612,1038 8.708,1039 10.991,1040 3.407,1041 16.856,1042 8.387,1043 13.183,1044 1,1045 16.053,1046 2.381,1047 9.992,1048 12.691,1049 4.166,1050 19.269,1051 9.632,1052 3.133,1053 0.879,1054 17.831,1055 2.2,1056 10.881,1057 13.907,1058 4.464,1059 21.445,1060 10.458,1061 2.806,1062 10.48,1063 19.622,1064 2.136,1065 12.056,1066 15.486,1067 5.114,1068 23.799,1069 11.59,1070 2.713,1071 8.968,1072 21.424,1073 4.516,1074 13.054,1075 16.834,1076 5.504,1077 26.059,1078 12.522,1079 2.521,1080 7.904,1081 23.236,1082 3.806,1083 14.185,1084 18.36,1085 6.092,1086 28.395,1087 13.604,1088 2.439,1089 7.175,1090 25.055,1091 3.68,1092 15.24,1093 19.779,1094 6.531,1095 30.696,1096 14.593,1097 2.145,1098 7.012,1099 26.882,1100 3.446,1101 16.356,1102 21.284,1103 7.084,1104 33.03,1105 15.655,1106 2.081,1107 6.26,1108 28.714,1109 3.13,1110 17.441,1111 22.741,1112 7.551,1113 35.351,1114 16.675,1115 18789,1116 31339,1117 26.929,1118 40.04,1119 57.753,1120 58.88,1121 58.268,1122 57.271,1123 57.381,1124 78.95,1125 6.841,1126 159.491,1127 54.858,1128 5.444,1129 5.563,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 11.624,1138 1.481,1139 1.51,1140 1.494,1141 1.468,1142 1.471,1143 2.024,1144 0.175,1145 4.09,1146 1.407,1147 4.128,1148 4.18,1149 4.101,1150 3.975,1151 7.431,1152 3.997,1153 3.93,1154 3.963,1155 3.877,1156 3.825,1157 5.115,1158 3.832,1159 3.878,1160 3.919,1161 3.815,1162 3.786,1163 4.899,1164 3.79,1165 3.856,1166 3.89,1167 3.798,1168 3.749,1169 4.87,1170 3.759,1171 3.445,1172 3.49,1173 3.396,1174 3.188,1175 4.743,1176 3.228,1177 3.345,1178 3.426,1179 3.258,1180 3.106,1181 4.44,1182 3.139,1183 3.24,1184 3.306,1185 3.106,1186 3.02,1187 4.401,1188 3.033,1189 3.184,1190 3.247,1191 3.046,1192 2.953,1193 4.113,1194 2.963,1195 0.117,1196 0.091,1197 0.169,1198 0.104,1199 0.08,1200 4.574,1201 0.116,1202 3.563,1203 0.042,1204 6.573,1205 0.269,1206 4.073,1207 0.076,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.881,1220 1.856,1221 1.988,1222 2.006,1223 1.09,1224 2,1225 1.855,1226 1.817,1227 1.976,1228 1.975,1229 1.061,1230 1.978,1231 1.737,1232 1.691,1233 1.819,1234 1.9,1235 0.907,1236 1.887,1237 1.401,1238 1.341,1239 1.574,1240 1.614,1241 0.579,1242 1.603,1243 1.283,1244 1.236,1245 1.56,1246 1.6,1247 0.575,1248 1.569,1249 1.182,1250 1.109,1251 1.418,1252 1.484,1253 0.458,1254 1.488,1255 1.153,1256 1.07,1257 1.388,1258 1.422,1259 0.346,1260 1.423,1261 4.369,1263 5.673,1264 2.398,1265 7.168,1266 4.595,1267 8.749,1268 6.605,1269 10.378,1271 1.583,1277 0.591,1278 9.058,1279 5.203,1289 38.794,1290 91.858,1291 216.066,1292 279.034,1293 315.008,1294 321.008,1295 325.008,1296 47.944,1297 8.346,1298 105.47,1299 105.47,1300 29,1301 12.684,1302 4.907,1303 4,1304 52.267,1305 173,1306 184,1307 0.142,1308 237.773,1309 399.68,1310 571.927,1311 59417,1313 24.037,1314 0.687,1315 0.542,1316 24.037,1317 18.973,1318 17.174,1319 0.44,1320 0.281,1321 10.785,1322 16.455,1323 10.56,1324 8.801,1325 17.174,1326 10.968,1327 15.104,1328 0.285,1329 0.146,1330 15.104,1331 7.734,1332 12.635,1333 0.183,1334 0.077,1335 12.635,1336 5.327,1337 10.866,1338 0.119,1339 0.04,1340 10.866,1341 3.626,1342 8.573,1343 0.077,1344 0.021,1345 8.573,1346 2.358,1347 0.228,1348 107.946,1349 0.193,1350 32.63,1351 0.378,1352 184,1353 549.05,1354 202.775,1355 535.602,1356 742.78,1357 504,1358 214,1359 557.294,1360 232.973,1361 566.794,1362 821.56,1363 532,1364 5.77}
{0 CHEMBL1080639,1 1.686,2 14,3 4.134,4 17.092,5 140.615,6 9.387,7 0.7,8 4.185,9 4.299,10 3.952,11 3.748,12 5.371,13 3.747,14 4.662,15 4.811,16 4.337,17 4.122,18 5.844,19 4.1,20 4.863,21 5.041,22 4.376,23 4.238,24 5.981,25 4.182,26 4.911,27 5.111,28 4.354,29 4.187,30 6.012,31 4.136,32 4.937,33 5.151,34 4.354,35 4.177,36 6.091,37 4.128,38 4.897,39 5.101,40 4.436,41 4.204,42 6.037,43 4.15,44 4.89,45 5.09,46 4.248,47 4.217,48 6.025,49 4.147,50 4.849,51 5.052,52 4.249,53 4.199,54 5.912,55 4.116,56 0.087,57 0.903,58 7.605,59 4.517,60 8.9,61 5.226,62 0.385,63 1.406,64 16.149,65 7.532,66 28.152,67 8.796,68 0.459,69 1.652,70 29.537,71 10.133,72 38.529,73 11.9,74 0.395,75 1.692,76 30.234,77 10.278,78 38.144,79 12.52,80 0.728,81 1.717,82 34.24,83 10.206,84 63.117,85 12.159,86 0.461,87 1.644,88 30.663,89 10.515,90 48.446,91 12.909,92 0.569,93 1.642,94 39.983,95 10.844,96 60.283,97 12.657,98 0.457,99 1.576,100 24.512,101 10.403,102 36.77,103 13.05,104 11,105 55,106 0.269,107 0.622,108 0.797,109 0.889,110 0.894,111 0.894,112 3.615,113 0.89,114 -3.85,115 -3.81,116 -3.61,117 1,118 44.8,123 1,124 1,138 9,139 2,140 4,141 3,142 1,143 1,147 2,154 1,156 1,167 7,170 1,171 4,173 3,174 1,175 4,178 8,181 2,182 6,184 3,186 5,188 4,192 7,197 7,203 1,204 11,206 3,208 5,215 10,218 1,220 4,223 3,227 2,228 3,231 1,232 1,233 1,235 8,239 3,240 3,243 2,247 12,252 3,255 1,256 1,257 1,260 8,264 2598,265 24.764,266 24.764,267 24.764,268 24.764,269 24.764,270 21.292,271 25.624,272 14.762,273 25.538,274 19.751,275 19.751,276 19.751,277 19.751,278 19.751,279 14.482,280 38.218,281 6.998,282 20.964,283 4.172,284 1.96,285 0.863,286 0.289,287 0.254,288 0.254,289 4.324,294 1,295 1101,296 3.606,299 88.384,300 454.33,303 154.432,307 2.278,308 28.114,311 0.75,312 0.67,313 0.83,314 0.5,316 0.83,317 1,318 0.65,319 77.25,320 504,321 4.574,322 3.574,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.276,331 3.172,332 6.186,333 3.869,334 2.921,335 3.911,336 0.86,337 9.228,338 2.757,339 4.17,340 3.116,341 6.11,342 3.752,343 2.781,344 3.803,345 0.657,346 8.962,347 2.684,348 3.898,349 2.805,350 5.445,351 3.506,352 2.521,353 3.446,354 0.247,355 7.229,356 2.484,357 3.765,358 2.724,359 5.367,360 3.402,361 2.44,362 3.129,364 7.012,365 2.337,366 3.509,367 2.701,368 5.191,369 3.037,370 2.14,371 2.86,373 6.259,374 1.975,375 3.47,376 2.331,377 4.955,378 3.003,379 2.084,380 2.812,382 5.812,383 1.917,384 3.389,385 2.185,386 4.866,387 2.932,388 2,389 2.639,391 5.556,392 1.667,393 2.945,394 1.877,395 4.404,396 2.475,397 1.517,398 2.133,400 4.208,401 1.45,402 2.92,403 1.599,404 4.201,405 2.431,406 1.498,407 2.09,409 3.726,410 1.394,411 2.823,412 1.531,413 3.784,414 2.359,415 1.381,416 1.932,417 3.186,418 1.343,419 2.658,420 1.201,421 3.59,422 2.151,423 1.175,424 1.73,425 2.676,426 1.145,427 2.5,428 1.13,429 3.47,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1.006,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 17.8,452 0.494,453 0.759,454 0.021,455 54,456 1.5,457 29.5,458 0.819,459 24.5,460 0.681,461 27.701,462 0.769,463 36.2,464 0.624,465 41.994,466 1.166,467 10.736,468 0.298,469 6.849,470 0.19,471 0.122,473 0.303,478 0.884,479 1.341,480 0.499,481 0.872,482 0.657,483 0.817,484 0.944,485 1.055,486 0.614,487 0.801,488 0.667,489 0.844,490 0.998,491 1.053,492 0.987,493 1.03,494 1.013,495 1.04,496 1.111,497 1.317,498 0.748,499 1.064,500 0.938,501 1.05,502 1.163,503 0.898,504 0.746,505 0.835,506 1.391,507 0.892,508 0.97,509 1.072,510 0.662,511 0.929,512 1.188,513 0.916,514 1.15,515 0.871,516 1.222,517 0.999,518 1.371,519 0.994,520 0.801,521 0.855,522 0.58,523 0.867,524 0.815,525 0.998,526 7,527 0.18,528 3.333,529 1.875,530 1.951,531 1.118,532 0.687,533 0.462,534 0.366,535 0.257,536 21385,537 64475,538 2.137,539 37.9,541 14,542 2,543 3,544 3,549 1.774,550 2.038,551 3.752,552 0.828,558 97.792,559 1.686,560 3.898,561 4.995,562 5.569,563 5.604,564 5.604,565 3.226,566 4.892,567 5.141,568 3.971,569 2501.73,570 9.037,571 41016.9,576 339.763,577 1.256,578 5.118,579 0.175,580 0.005,581 0.061,582 0.034,583 0.038,584 0.022,585 0.013,586 0.009,587 0.008,588 0.006,589 0.37,590 0.33,591 0.75,592 0.586,593 198.356,594 -0.098,595 -0.213,596 0.004,597 -0.05,598 -0.08,599 0.001,600 0.037,601 0.043,602 0.008,603 0.051,604 0.054,605 0.007,606 -0.031,607 -0.01,608 -0.085,609 -0.094,610 -0.096,611 -0.122,612 -0.108,613 -0.303,614 -0.01,615 -0.159,616 -0.014,617 -0.111,618 -0.006,619 0.134,620 -0.001,621 0.059,622 -0.026,623 0.036,625 -0.081,626 0.087,627 -0.004,628 0.045,629 0.05,630 -0.127,631 0.142,632 -0.158,633 -0.013,634 -0.116,635 -0.036,636 0.042,637 0.134,638 0.016,639 0.036,640 -0.028,641 -0.028,642 2.054,643 5.688,644 0.75,645 44.296,646 1.011,647 1.122,648 2.617,649 6.849,650 0.714,651 3.714,652 4.025,653 4.29,654 4.564,655 4.779,656 4.852,657 4.977,658 5.13,659 5.231,660 5.357,661 8.369,662 0.687,663 544.45,664 3.714,665 5.252,666 6.098,667 6.971,668 7.832,669 8.709,670 9.577,671 10.458,672 11.33,673 12.213,674 12.1,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,714 1,715 1,716 58,718 29,719 2,720 40,721 1,722 62,723 26,724 23,725 5,726 7,728 5,729 6,731 1,740 24,741 2,744 1,749 1,753 1,760 22,761 8,762 3,763 10,764 1,766 1,769 7,775 0.8,776 2,784 1,787 1,793 1,794 4,797 1,819 4,822 1,823 1,827 36,833 1,834 3,835 1,849 1,850 3.4,853 1,855 1,858 17.667,859 10.693,860 7.944,861 3.152,863 5.083,864 1.604,865 1.025,866 7.349,867 13.501,868 4.025,869 4.652,870 5.246,871 5.855,872 6.386,873 6.659,874 7.086,875 7.54,876 7.868,877 8.281,878 1,879 55,880 13.216,881 5.564,882 7.72,883 25.021,884 20.089,885 2.22,886 79.917,890 223.651,891 174.771,892 151.629,894 36.145,897 220.725,898 259.796,899 105.675,900 10.883,901 38.127,902 103.381,903 130.541,904 62.369,905 30.146,906 164.795,907 45.954,908 223.651,909 280.446,910 36.145,912 45.954,913 223.651,914 36.145,917 71.028,918 141.051,919 68.367,920 45.954,921 223.651,922 141.82,923 220.725,926 223.651,927 33.365,928 142.693,929 99.986,930 86.501,931 223.651,932 141.82,933 220.725,935 0.575,936 0.334,937 0.186,938 0.101,939 26,940 11,941 0.113,942 7,943 1,944 1.074,945 4.736,946 343.39,947 0.074,948 27,949 180.117,954 24.1,955 10.977,956 5.803,957 0.726,958 140.534,959 25.824,960 13.306,964 5.885,966 54.032,967 586.196,968 55,973 12.688,977 -0.388,980 58.665,981 65.07,983 0.288,984 0.665,985 0.853,986 0.951,987 0.957,988 0.957,989 5.242,990 2,991 6.066,992 5.812,993 4.71,994 5.34,995 2.097,996 6.849,997 4.598,998 6.451,999 1.517,1000 7.601,1001 5.556,1002 4.205,1003 5.085,1004 1.195,1005 7.662,1006 4.02,1007 7.753,1008 1.498,1009 9.233,1010 4.208,1011 6.275,1012 7.564,1013 2.538,1014 10.757,1015 6.067,1016 9.091,1017 1.381,1018 10.923,1019 3.726,1020 6.594,1021 8.147,1022 2.324,1023 12.406,1024 6.318,1025 10.458,1026 1.175,1027 12.651,1028 3.186,1029 8.104,1030 10.073,1031 3.281,1032 14.999,1033 7.803,1034 11.848,1035 1,1036 14.405,1037 2.676,1038 8.819,1039 11.077,1040 3.407,1041 17.011,1042 8.45,1043 13.256,1044 1,1045 16.178,1046 2.381,1047 10.092,1048 12.758,1049 4.166,1050 19.425,1051 9.69,1052 3.133,1053 0.879,1054 17.967,1055 2.2,1056 11.005,1057 13.989,1058 4.464,1059 21.603,1060 10.535,1061 2.921,1062 10.48,1063 19.768,1064 2.136,1065 12.176,1066 15.557,1067 5.114,1068 23.953,1069 11.666,1070 2.781,1071 9.228,1072 21.578,1073 4.516,1074 13.189,1075 16.91,1076 5.504,1077 26.207,1078 12.611,1079 2.521,1080 8.962,1081 23.396,1082 3.911,1083 14.319,1084 18.428,1085 6.092,1086 28.536,1087 13.693,1088 2.44,1089 7.229,1090 25.221,1091 3.803,1092 15.381,1093 19.847,1094 6.531,1095 30.827,1096 14.69,1097 2.14,1098 7.012,1099 27.052,1100 3.446,1101 16.497,1102 21.346,1103 7.084,1104 33.152,1105 15.753,1106 2.084,1107 6.259,1108 28.887,1109 3.129,1110 17.586,1111 22.8,1112 7.551,1113 35.463,1114 16.778,1115 19945,1116 34812,1117 27.334,1118 41.392,1119 59.68,1120 60.764,1121 60.391,1122 59.257,1123 59.105,1124 80.896,1125 6.841,1126 166.567,1127 55.575,1128 5.45,1129 5.574,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 14.422,1138 1.492,1139 1.519,1140 1.51,1141 1.481,1142 1.478,1143 2.022,1144 0.171,1145 4.164,1146 1.389,1147 4.128,1148 4.18,1149 6.88,1150 3.976,1151 7.431,1152 3.998,1153 3.934,1154 3.962,1155 4.1,1156 3.858,1157 5.115,1158 3.85,1159 3.878,1160 3.919,1161 3.85,1162 3.787,1163 4.899,1164 3.791,1165 3.857,1166 3.889,1167 3.809,1168 3.751,1169 4.864,1170 3.76,1171 3.436,1172 3.482,1173 3.771,1174 3.192,1175 4.743,1176 3.228,1177 3.343,1178 3.423,1179 3.373,1180 3.111,1181 4.438,1182 3.137,1183 3.253,1184 3.313,1185 3.254,1186 3.029,1187 4.398,1188 3.032,1189 3.191,1190 3.253,1191 3.097,1192 2.998,1193 4.116,1194 3,1195 0.114,1196 0.089,1197 0.164,1198 0.102,1199 0.078,1200 4.574,1201 0.113,1202 3.574,1203 0.041,1204 6.573,1205 0.262,1206 4.073,1207 0.074,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.877,1220 1.858,1221 1.978,1222 1.996,1223 1.091,1224 1.99,1225 1.854,1226 1.817,1227 1.934,1228 1.969,1229 1.07,1230 1.969,1231 1.737,1232 1.691,1233 1.819,1234 1.897,1235 0.907,1236 1.886,1237 1.401,1238 1.341,1239 1.564,1240 1.613,1241 0.579,1242 1.603,1243 1.27,1244 1.225,1245 1.56,1246 1.576,1247 0.573,1248 1.54,1249 1.194,1250 1.126,1251 1.418,1252 1.496,1253 0.458,1254 1.511,1255 1.155,1256 1.072,1257 1.388,1258 1.423,1259 0.349,1260 1.423,1261 4.394,1263 5.707,1264 2.398,1265 7.21,1266 4.595,1267 8.802,1268 6.605,1269 10.441,1270 3.413,1271 1.556,1277 0.586,1278 9.072,1279 5.328,1289 39.819,1290 97.792,1291 226.056,1292 289.724,1293 323.008,1294 325.008,1295 325.008,1296 52.257,1297 8.418,1298 105.47,1299 105.47,1300 29,1301 12.749,1302 4.907,1303 4,1304 54.499,1305 180,1306 177,1307 0.143,1308 249.687,1309 418.96,1310 600.997,1311 64954,1312 1.7,1313 24.907,1314 0.692,1315 0.579,1316 25.907,1317 20.859,1318 17.585,1319 0.44,1320 0.297,1321 10.94,1322 16.299,1323 10.662,1324 8.858,1325 18.162,1326 11.866,1327 15.644,1328 0.284,1329 0.159,1330 16.46,1331 8.762,1332 13.062,1333 0.181,1334 0.082,1335 13.586,1336 5.903,1337 11.214,1338 0.118,1339 0.043,1340 11.684,1341 4.056,1342 8.915,1343 0.076,1344 0.023,1345 9.418,1346 2.673,1347 0.229,1348 118.781,1349 0.191,1350 33.281,1351 0.382,1352 190,1353 575.705,1354 274.646,1355 597.565,1356 814.73,1357 560,1358 222,1359 582.028,1360 269.791,1361 604.162,1362 878.23,1363 567,1364 7.443}
{0 CHEMBL1080640,1 1.568,2 14,3 3.872,4 14.993,5 138.034,6 7.862,7 0.7,8 4.225,9 4.347,10 3.842,11 3.757,12 5.393,13 3.759,14 4.709,15 4.873,16 4.181,17 4.124,18 5.858,19 4.107,20 4.901,21 5.085,22 4.216,23 4.242,24 6,25 4.195,26 4.985,27 5.202,28 4.184,29 4.212,30 6.044,31 4.158,32 4.994,33 5.221,34 4.17,35 4.192,36 6.115,37 4.145,38 4.96,39 5.173,40 4.179,41 4.212,42 6.06,43 4.164,44 4.956,45 5.163,46 4.147,47 4.225,48 6.096,49 4.169,50 4.947,51 5.178,52 4.078,53 4.22,54 5.949,55 4.133,56 0.055,57 0.956,58 11.189,59 4.846,60 9.4,61 6.157,62 0.358,63 1.479,64 20.775,65 7.905,66 29.5,67 10.302,68 0.385,69 1.734,70 26.1,71 9.91,72 37.105,73 13.069,74 0.304,75 1.806,76 30.628,77 10.639,78 39.802,79 14.619,80 0.647,81 1.806,82 32.134,83 9.885,84 63.248,85 13.531,86 0.389,87 1.73,88 30.328,89 10.641,90 47.792,91 14.235,92 0.559,93 1.752,94 29.839,95 10.163,96 70.433,97 13.343,98 0.452,99 1.697,100 30.481,101 11.454,102 41.486,103 15.751,104 11,105 55,106 0.248,107 0.606,108 0.796,109 0.882,110 0.888,111 0.888,112 3.615,113 0.854,114 -3.75,115 -3.71,116 -3.53,118 44.3,119 1,123 1,124 1,138 9,139 3,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 10,170 1,171 4,173 3,174 1,175 4,178 9,181 2,182 6,184 3,186 6,188 4,192 8,197 7,203 1,204 12,206 3,208 6,215 10,218 1,220 4,223 3,227 2,228 3,231 1,232 1,233 1,235 10,239 3,240 3,243 2,247 14,252 3,255 1,256 1,257 1,260 9,264 2598,265 24.764,266 24.764,267 24.764,268 24.764,269 24.764,270 21.292,271 26.405,272 14.762,273 25.373,274 19.751,275 19.751,276 19.751,277 19.751,278 19.751,279 14.482,280 39.631,281 6.998,282 20.64,283 4.363,284 2.1,285 0.898,286 0.353,287 0.32,288 0.32,289 4.324,294 1,295 1101,296 3.606,299 88.384,300 454.33,303 154.432,307 2.278,308 26.979,311 1,312 0.67,313 1,314 0.6,316 1,317 1,318 0.75,319 77.5,320 504,321 4.574,322 3.573,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.276,331 3.172,332 6.186,333 3.883,334 2.921,335 3.911,336 0.86,337 9.228,338 2.805,339 4.17,340 3.071,341 6.11,342 3.753,343 2.781,344 3.803,345 0.657,346 8.962,347 2.69,348 3.898,349 2.804,350 5.445,351 3.507,352 2.521,353 3.446,354 0.247,355 7.229,356 2.484,357 3.765,358 2.723,359 5.367,360 3.408,361 2.44,362 3.129,364 7.012,365 2.354,366 3.509,367 2.419,368 5.191,369 3.121,370 2.14,371 2.86,373 6.259,374 2.093,375 3.47,376 2.331,377 4.955,378 3.008,379 2.084,380 2.812,382 5.812,383 1.94,384 3.389,385 2.185,386 4.866,387 2.974,388 2,389 2.639,391 5.556,392 1.917,393 2.945,394 1.856,395 4.404,396 2.475,397 1.517,398 2.133,400 4.208,401 1.451,402 2.92,403 1.599,404 4.201,405 2.431,406 1.498,407 2.09,409 3.726,410 1.394,411 2.823,412 1.531,413 3.784,414 2.359,415 1.381,416 1.932,417 3.186,418 1.344,419 2.658,420 1.201,421 3.59,422 2.151,423 1.175,424 1.73,425 2.676,426 1.145,427 2.5,428 1.093,429 3.47,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1.006,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.967,452 0.471,453 0.759,454 0.021,455 54,456 1.5,457 29.5,458 0.819,459 24.5,460 0.681,461 26.146,462 0.726,463 37.033,464 0.607,465 43.549,466 1.21,467 10.975,468 0.305,469 6.61,470 0.184,471 0.079,473 0.318,478 0.894,479 1.368,480 0.743,481 1.046,482 0.669,483 0.893,484 0.935,485 1.051,486 0.845,487 0.904,488 0.655,489 0.869,490 0.964,491 1.101,492 1.029,493 1.095,494 1.006,495 1.077,496 1.087,497 1.3,498 0.98,499 1.129,500 0.899,501 1.051,502 1.248,503 0.9,504 1.061,505 0.849,506 1.381,507 0.895,508 1.223,509 1.061,510 0.948,511 0.96,512 1.265,513 0.923,514 1.334,515 0.883,516 1.135,517 0.899,518 1.787,519 0.972,520 0.751,521 0.806,522 0.925,523 0.926,524 0.757,525 0.951,526 7,527 0.18,528 3.333,529 1.875,530 1.951,531 1.118,532 0.687,533 0.462,534 0.366,535 0.257,536 21385,537 57149,538 2.137,539 41,540 3,541 14,542 2,543 3,544 3,549 1.774,550 2.038,551 3.752,552 0.801,558 95.645,559 1.568,560 3.831,561 5.032,562 5.578,563 5.611,564 5.611,565 3.226,566 4.892,567 5.141,568 3.971,569 2501.73,570 9.037,571 41016.9,576 361.775,577 1.256,578 5.118,579 0.175,580 0.005,581 0.061,582 0.034,583 0.038,584 0.022,585 0.013,586 0.009,587 0.008,588 0.006,589 0.37,590 0.33,591 0.75,592 0.586,593 198.356,594 -0.076,595 -0.215,596 0.051,597 -0.069,598 -0.074,599 -0.001,600 0.079,601 0.052,602 0.039,603 0.055,604 0.078,605 0.038,606 0.008,607 -0.038,608 -0.117,609 -0.128,610 -0.09,611 -0.145,612 -0.087,613 -0.295,614 -0.006,615 -0.163,616 0.01,617 -0.087,618 -0.042,619 0.137,620 -0.052,621 0.077,622 -0.022,623 0.032,624 -0.114,625 -0.073,626 0.035,627 0.02,628 -0.009,629 0.045,630 -0.16,631 0.147,632 -0.163,633 0.056,634 -0.199,635 -0.037,636 0.084,637 0.159,638 0.051,639 0.083,640 0.02,641 0.063,642 2.034,643 5.703,644 0.75,645 44.296,646 1.005,647 1.125,648 2.518,649 6.338,650 0.685,651 3.714,652 4.025,653 4.29,654 4.564,655 4.779,656 4.852,657 4.977,658 5.13,659 5.231,660 5.357,661 8.369,662 0.661,663 479.59,664 3.714,665 5.252,666 6.098,667 6.971,668 7.832,669 8.709,670 9.577,671 10.458,672 11.33,673 12.213,674 11.5,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,714 1,716 61,718 29,719 2,720 40,722 65,723 27,724 23,725 5,726 7,728 5,729 6,731 1,732 1,740 24,741 3,744 1,749 1,753 1,760 25,761 8,762 3,763 9,766 1,769 7,775 0.8,776 2,784 1,787 1,793 1,794 4,797 1,819 4,823 2,827 36,833 1,834 3,835 1,850 3.3,853 1,855 1,858 17.667,859 11.55,860 7.944,861 3.367,863 5.083,864 1.604,865 1.019,866 7.006,867 13.501,868 4.025,869 4.652,870 5.246,871 5.855,872 6.386,873 6.659,874 7.086,875 7.54,876 7.868,877 8.281,878 1,879 55,880 13.228,881 5.558,882 7.699,883 25.125,884 20.17,885 2.199,886 79.167,890 258.964,891 183.727,892 105.675,894 36.145,897 183.727,898 295.109,899 105.675,900 19.708,901 38.127,902 103.381,903 130.541,904 62.499,905 30.146,906 200.109,908 258.964,909 289.402,910 36.145,913 258.964,914 36.145,917 79.853,918 141.182,919 68.367,921 258.964,922 141.82,923 183.727,926 258.964,927 33.495,928 151.518,929 54.032,930 86.501,931 258.964,932 141.82,933 183.727,935 0.575,936 0.334,937 0.186,938 0.101,939 26,940 11,941 0.108,942 7,943 1,944 1.074,945 4.736,946 343.39,947 0.074,948 27,949 182.117,954 23.642,955 10.668,956 5.608,957 0.73,958 140.534,959 26.092,960 13.317,964 6.183,966 54.032,967 584.511,968 55,973 12.703,977 -0.367,980 61.32,981 68.644,983 0.264,984 0.646,985 0.849,986 0.941,987 0.946,988 0.946,989 5.242,990 2,991 6.066,992 5.812,993 4.71,994 5.34,995 2.097,996 6.849,997 4.625,998 6.451,999 1.517,1000 7.601,1001 5.556,1002 4.205,1003 5.085,1004 1.195,1005 7.662,1006 4.093,1007 7.753,1008 1.498,1009 9.233,1010 4.208,1011 6.275,1012 7.564,1013 2.538,1014 10.757,1015 6.109,1016 9.091,1017 1.381,1018 10.923,1019 3.726,1020 6.594,1021 8.147,1022 2.324,1023 12.406,1024 6.386,1025 10.458,1026 1.175,1027 12.651,1028 3.186,1029 8.104,1030 10.073,1031 3.281,1032 14.999,1033 7.852,1034 11.848,1035 1,1036 14.405,1037 2.676,1038 8.819,1039 11.077,1040 3.407,1041 17.011,1042 8.513,1043 13.256,1044 1,1045 16.178,1046 2.381,1047 10.092,1048 12.758,1049 4.166,1050 19.425,1051 9.744,1052 3.133,1053 0.879,1054 17.967,1055 2.2,1056 11.005,1057 13.989,1058 4.464,1059 21.603,1060 10.598,1061 2.921,1062 10.48,1063 19.768,1064 2.136,1065 12.176,1066 15.557,1067 5.114,1068 23.953,1069 11.724,1070 2.781,1071 9.228,1072 21.578,1073 4.516,1074 13.189,1075 16.91,1076 5.504,1077 26.207,1078 12.675,1079 2.521,1080 8.962,1081 23.396,1082 3.911,1083 14.319,1084 18.428,1085 6.092,1086 28.536,1087 13.756,1088 2.44,1089 7.229,1090 25.221,1091 3.803,1092 15.381,1093 19.847,1094 6.531,1095 30.827,1096 14.757,1097 2.14,1098 7.012,1099 27.052,1100 3.446,1101 16.497,1102 21.346,1103 7.084,1104 33.152,1105 15.82,1106 2.084,1107 6.259,1108 28.887,1109 3.129,1110 17.586,1111 22.8,1112 7.551,1113 35.463,1114 16.847,1115 19945,1116 32784,1117 27.334,1118 41.801,1119 59.68,1120 60.559,1121 60.391,1122 59.033,1123 59.105,1124 80.896,1125 6.841,1126 166.567,1127 56.59,1128 5.45,1129 5.573,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 14.422,1138 1.492,1139 1.514,1140 1.51,1141 1.476,1142 1.478,1143 2.022,1144 0.171,1145 4.164,1146 1.415,1147 4.129,1148 4.181,1149 4.101,1150 3.976,1151 7.431,1152 3.998,1153 3.949,1154 3.98,1155 3.899,1156 3.856,1157 5.115,1158 3.861,1159 3.879,1160 3.919,1161 3.818,1162 3.787,1163 4.899,1164 3.791,1165 3.86,1166 3.897,1167 3.801,1168 3.75,1169 4.861,1170 3.761,1171 3.449,1172 3.498,1173 3.396,1174 3.199,1175 4.743,1176 3.238,1177 3.346,1178 3.428,1179 3.258,1180 3.127,1181 4.438,1182 3.147,1183 3.306,1184 3.364,1185 3.147,1186 3.057,1187 4.4,1188 3.072,1189 3.192,1190 3.256,1191 3.096,1192 3.007,1193 4.116,1194 3.022,1195 0.114,1196 0.089,1197 0.164,1198 0.102,1199 0.078,1200 4.574,1201 0.113,1202 3.573,1203 0.041,1204 6.573,1205 0.262,1206 4.073,1207 0.074,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.967,1214 1.935,1215 2.046,1216 2.107,1217 1.156,1218 2.086,1219 1.907,1220 1.883,1221 2.016,1222 2.021,1223 1.132,1224 2.018,1225 1.855,1226 1.817,1227 1.978,1228 1.978,1229 1.09,1230 1.981,1231 1.737,1232 1.691,1233 1.819,1234 1.902,1235 0.907,1236 1.888,1237 1.401,1238 1.341,1239 1.609,1240 1.614,1241 0.633,1242 1.603,1243 1.318,1244 1.263,1245 1.56,1246 1.6,1247 0.579,1248 1.588,1249 1.234,1250 1.176,1251 1.494,1252 1.55,1253 0.536,1254 1.54,1255 1.155,1256 1.072,1257 1.413,1258 1.423,1259 0.457,1260 1.424,1261 4.394,1263 5.707,1264 2.398,1265 7.21,1266 4.595,1267 8.802,1268 6.605,1269 10.441,1271 3.526,1277 0.589,1278 9.121,1279 5.349,1289 40.321,1290 95.645,1291 233.678,1292 306.981,1293 340.265,1294 342.265,1295 342.265,1296 51.865,1297 8.418,1298 105.47,1299 105.47,1300 29,1301 12.749,1302 4.907,1303 4,1304 54.499,1305 180,1306 177,1307 0.143,1308 247.366,1309 416.98,1310 595.332,1311 64954,1313 24.907,1314 0.692,1315 0.553,1316 24.907,1317 19.895,1318 17.585,1319 0.44,1320 0.285,1321 11.202,1322 16.872,1323 10.906,1324 9.116,1325 17.585,1326 11.384,1327 15.644,1328 0.284,1329 0.149,1330 15.644,1331 8.206,1332 13.062,1333 0.181,1334 0.078,1335 13.062,1336 5.603,1337 11.214,1338 0.118,1339 0.04,1340 11.214,1341 3.836,1342 8.915,1343 0.076,1344 0.021,1345 8.915,1346 2.496,1347 0.229,1348 110.41,1349 0.191,1350 33.281,1351 0.382,1352 190,1353 557.05,1354 208.775,1355 544.33,1356 755.93,1357 512,1358 222,1359 568.294,1360 241.527,1361 579.369,1362 841.09,1363 543,1364 7.108}
{0 CHEMBL1080668,1 1.551,2 14.486,3 3.281,4 10.766,5 132.267,6 8.373,7 0.718,8 4.13,9 4.249,10 3.8,11 3.705,12 5.366,13 3.712,14 4.59,15 4.739,16 4.135,17 4.073,18 5.801,19 4.058,20 4.826,21 5.019,22 4.147,23 4.176,24 5.964,25 4.129,26 4.853,27 5.072,28 4.111,29 4.103,30 5.999,31 4.061,32 4.826,33 5.044,34 4.083,35 4.067,36 6.013,37 4.038,38 4.778,39 4.974,40 4.105,41 4.106,42 5.965,43 4.072,44 4.808,45 5.013,46 4.108,47 4.14,48 6.04,49 4.089,50 4.792,51 5.005,52 4.007,53 4.131,54 5.875,55 4.053,56 0.063,57 0.886,58 8.502,59 4.023,60 10.738,61 4.754,62 0.282,63 1.378,64 15.031,65 6.543,66 21.999,67 8.048,68 0.347,69 1.651,70 22.494,71 8.907,72 39.407,73 11.22,74 0.278,75 1.657,76 25.117,77 9.092,78 43.884,79 11.903,80 0.498,81 1.606,82 25.193,83 8.195,84 60.456,85 10.017,86 0.304,87 1.537,88 22.157,89 8.422,90 47.56,91 10.499,92 0.465,93 1.586,94 23.424,95 8.92,96 68.937,97 11.457,98 0.384,99 1.54,100 23.18,101 9.355,102 38.037,103 12.26,104 6,105 53,106 0.248,107 0.593,108 0.762,109 0.867,110 0.885,111 0.896,112 3.588,113 0.833,114 -3.48,115 -3.46,116 -3.3,118 47.3,124 1,138 10,139 3,140 2,141 3,142 1,143 1,147 2,153 1,154 1,156 1,167 10,170 1,171 4,173 3,174 1,175 5,178 9,181 2,182 6,184 2,186 6,188 4,192 9,197 7,204 12,206 3,208 6,215 9,218 1,220 3,223 5,227 3,228 1,231 2,232 1,233 1,235 12,239 3,240 1,243 2,247 13,252 5,255 1,256 1,257 1,260 7,264 2463,265 24.264,266 24.264,267 24.264,268 24.264,269 24.264,270 20.753,271 24.76,272 14.585,273 24.715,274 19.28,275 19.28,276 19.28,277 19.28,278 19.28,279 13.91,280 37.997,281 6.937,282 20.014,283 4.23,284 2.074,285 1.018,286 0.364,287 0.255,288 0.182,289 4.299,294 1,295 1114,296 3.536,299 85.903,300 442.287,303 150.286,307 2.271,308 28.449,311 1,312 0.67,313 1,314 0.4,316 1,317 1,318 0.72,319 75,320 507,321 4.574,322 4.058,323 6.573,324 4.073,325 3.133,326 4.516,327 2.035,328 10.48,329 2.956,330 4.184,331 3.563,332 6.11,333 3.776,334 2.806,335 3.807,336 1.656,337 8.968,338 2.711,339 4.138,340 3.171,341 5.658,342 3.694,343 2.713,344 3.733,345 0.657,346 7.904,347 2.657,348 3.898,349 2.808,350 5.422,351 3.506,352 2.521,353 3.446,354 0.247,355 7.175,356 2.484,357 3.798,358 2.726,359 5.367,360 3.412,361 2.439,362 3.136,364 7.012,365 2.363,366 3.6,367 2.665,368 5.191,369 3.119,370 2.145,371 2.88,373 6.26,374 2.084,375 3.476,376 2.331,377 5.061,378 3.005,379 2.081,380 2.825,382 6.128,383 1.918,384 3.343,385 2.185,386 4.617,387 2.794,388 1.799,389 2.498,391 4.896,392 1.781,393 2.949,394 2.095,395 4.348,396 2.431,397 1.498,398 2.104,400 4.053,401 1.404,402 2.92,403 1.599,404 3.785,405 2.421,406 1.451,407 2.088,409 3.186,410 1.394,411 2.881,412 1.531,413 3.59,414 2.2,415 1.208,416 1.783,417 2.688,418 1.197,419 2.659,420 1.242,421 3.494,422 2.15,423 1.171,424 1.727,425 2.612,426 1.144,427 2.611,428 1.201,429 3.469,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1.006,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.5,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.533,452 0.472,453 0.67,454 0.019,455 55.75,456 1.593,457 32,458 0.914,459 23.75,460 0.679,461 22.46,462 0.642,463 34.467,464 0.627,465 43.476,466 1.242,467 11.15,468 0.319,469 6.025,470 0.172,471 0.044,473 0.296,478 0.873,479 1.279,480 0.695,481 0.945,482 0.551,483 0.813,484 0.715,485 1.091,486 0.867,487 0.996,488 0.514,489 0.959,490 0.993,491 1.042,492 1.044,493 1.064,494 0.862,495 1.064,496 1.086,497 1.26,498 0.97,499 1.11,500 0.906,501 1.032,502 1.584,503 0.866,504 1.098,505 0.808,506 1.396,507 0.861,508 1.223,509 1.071,510 0.996,511 1.008,512 1.134,513 0.975,514 0.918,515 0.851,516 0.985,517 0.921,518 0.712,519 0.958,520 0.735,521 0.837,522 1.042,523 1.023,524 0.736,525 1.072,526 6.5,527 0.176,528 2.667,529 1.813,530 1.6,531 1.007,532 0.646,533 0.431,534 0.345,535 0.192,536 20218,537 58512,538 2.158,539 36.4,541 12,542 2,543 3,544 3,549 1.767,550 2.079,551 3.802,552 0.82,558 85.325,559 1.551,560 3.707,561 4.764,562 5.418,563 5.527,564 5.6,565 3.269,566 4.901,567 5.098,568 3.978,569 2366.64,570 8.95,571 38119.5,576 317.975,577 1.15,578 5.086,579 0.167,580 0.005,581 0.05,582 0.035,583 0.033,584 0.021,585 0.013,586 0.009,587 0.008,588 0.005,589 0.345,590 0.33,591 0.75,592 0.529,593 191.551,594 -0.104,595 -0.18,596 0.036,597 -0.034,598 -0.03,599 0.014,600 0.154,601 -0.009,602 -0.061,603 -0.078,604 0.05,605 -0.101,606 -0.037,607 -0.031,608 -0.115,609 -0.103,610 -0.076,611 -0.121,612 -0.082,613 -0.275,614 0.034,615 -0.14,616 0.008,617 -0.051,618 -0.238,619 0.154,620 -0.074,621 0.131,622 -0.14,623 0.073,624 -0.139,625 -0.078,626 -0.039,627 -0.039,628 -0.068,629 -0.024,630 0.103,631 0.141,632 -0.018,633 0.056,634 0.189,635 0.009,636 0.092,637 0.124,638 -0.075,639 -0.017,640 -0.035,641 -0.064,642 2.074,643 5.496,644 0.771,645 43.739,646 1.008,647 1.122,648 2.248,649 5.055,650 0.71,651 3.689,652 3.989,653 4.248,654 4.522,655 4.727,656 4.804,657 4.97,658 5.106,659 5.209,660 5.323,661 8.335,662 0.692,663 460.54,664 3.689,665 5.22,666 6.061,667 6.929,668 7.784,669 8.657,670 9.52,671 10.397,672 11.265,673 12.146,674 14.5,679 1,681 2,682 1,683 1,684 3,689 1,690 15,691 3,695 7,697 28,699 1,709 1,716 55,718 30,719 2,720 39,722 59,723 26,724 23,725 4,726 8,728 5,729 6,731 1,739 1,740 24,741 1,744 1,749 1,753 1,760 20,761 8,762 3,763 9,766 1,769 8,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,827 35,833 1,834 3,842 1,846 1,848 1,850 1.8,853 1,858 16.833,859 9.917,860 7.75,861 3.069,863 5.202,864 1.623,865 1.032,866 6.45,867 13.548,868 4.043,869 4.642,870 5.246,871 5.853,872 6.382,873 6.657,874 7.129,875 7.538,876 7.874,877 8.275,878 0.9,879 52,880 12.826,881 5.437,882 7.8,883 24.15,884 19.478,885 2.3,886 80.5,890 200.109,891 184.853,892 136.735,894 25.145,897 184.853,898 225.254,899 136.735,901 38.127,902 112.857,903 147.143,904 77.315,905 30.146,906 141.253,908 200.109,909 321.588,910 25.145,913 200.109,914 25.145,917 102.087,918 151.133,919 68.367,921 200.109,922 161.88,923 184.853,926 200.109,927 28.252,928 141.286,929 70.634,930 106.561,931 200.109,932 161.88,933 184.853,935 0.571,936 0.33,937 0.183,938 0.097,939 25,940 10,941 0.102,942 6,943 1,944 1.074,945 4.717,946 328.125,947 0.074,948 27,949 173.525,954 22.245,955 10.149,956 5.339,957 0.719,958 160.593,959 27.024,960 13.26,964 4.895,966 54.032,967 546.841,968 56,973 12.496,977 -0.407,980 55.443,981 61.687,983 0.268,984 0.641,985 0.824,986 0.937,987 0.956,988 0.969,989 5.257,990 1.799,991 6.019,992 6.128,993 4.673,994 5.33,995 2.704,996 6.786,997 4.599,998 6.467,999 1.498,1000 7.541,1001 4.896,1002 4.111,1003 4.997,1004 1.195,1005 7.554,1006 4.01,1007 7.762,1008 1.451,1009 9.159,1010 4.053,1011 6.221,1012 7.543,1013 3.825,1014 10.651,1015 6.071,1016 9.091,1017 1.208,1018 10.835,1019 3.186,1020 6.494,1021 8.074,1022 2.324,1023 12.269,1024 6.303,1025 10.45,1026 1.171,1027 12.549,1028 2.688,1029 8.028,1030 10.036,1031 5.122,1032 14.859,1033 7.796,1034 11.832,1035 1,1036 14.291,1037 2.612,1038 8.708,1039 11.009,1040 3.407,1041 16.856,1042 8.424,1043 13.231,1044 1,1045 16.053,1046 2.381,1047 9.992,1048 12.709,1049 6.479,1050 19.269,1051 9.668,1052 3.133,1053 0.879,1054 17.831,1055 2.2,1056 10.881,1057 13.924,1058 4.464,1059 21.445,1060 10.497,1061 2.806,1062 10.48,1063 19.622,1064 2.136,1065 12.056,1066 15.502,1067 7.863,1068 23.799,1069 11.628,1070 2.713,1071 8.968,1072 21.424,1073 4.516,1074 13.054,1075 16.849,1076 5.504,1077 26.059,1078 12.562,1079 2.521,1080 7.904,1081 23.236,1082 3.807,1083 14.185,1084 18.373,1085 9.26,1086 28.395,1087 13.643,1088 2.439,1089 7.175,1090 25.055,1091 3.733,1092 15.24,1093 19.791,1094 6.531,1095 30.696,1096 14.633,1097 2.145,1098 7.012,1099 26.882,1100 3.446,1101 16.356,1102 21.295,1103 10.666,1104 33.03,1105 15.694,1106 2.081,1107 6.26,1108 28.714,1109 3.136,1110 17.441,1111 22.751,1112 7.551,1113 35.351,1114 16.714,1115 18789,1116 32125,1117 26.929,1118 39.068,1119 59.178,1120 61.197,1121 58.268,1122 57.318,1123 57.381,1124 80.209,1125 9.19,1126 159.491,1127 55.269,1128 5.443,1129 6.058,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 4.069,1135 17.431,1136 4.956,1137 11.624,1138 1.517,1139 1.569,1140 1.494,1141 1.47,1142 1.471,1143 2.057,1144 0.236,1145 4.09,1146 1.417,1147 4.128,1148 4.18,1149 4.101,1150 3.975,1151 7.431,1152 3.998,1153 3.938,1154 3.973,1155 3.89,1156 3.854,1157 6.82,1158 3.857,1159 3.878,1160 3.919,1161 3.817,1162 3.787,1163 5.114,1164 3.791,1165 3.859,1166 3.895,1167 3.801,1168 3.75,1169 4.897,1170 3.761,1171 3.45,1172 3.496,1173 3.409,1174 3.199,1175 4.754,1176 3.241,1177 3.345,1178 3.427,1179 3.261,1180 3.121,1181 4.703,1182 3.148,1183 3.203,1184 3.264,1185 3.137,1186 3.033,1187 4.437,1188 3.049,1189 3.151,1190 3.205,1191 3.082,1192 2.977,1193 4.114,1194 2.998,1195 0.117,1196 0.104,1197 0.169,1198 0.104,1199 0.08,1200 4.574,1201 0.116,1202 4.058,1203 0.052,1204 6.573,1205 0.269,1206 4.073,1207 0.076,1208 3.133,1209 4.516,1210 2.035,1211 10.48,1212 2.956,1213 1.967,1214 1.935,1215 2.046,1216 2.107,1217 1.155,1218 2.086,1219 1.904,1220 1.877,1221 2.001,1222 2.008,1223 1.091,1224 2.005,1225 1.855,1226 1.817,1227 1.977,1228 1.975,1229 1.069,1230 1.979,1231 1.737,1232 1.691,1233 1.819,1234 1.9,1235 0.907,1236 1.887,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.29,1244 1.244,1245 1.422,1246 1.585,1247 0.458,1248 1.538,1249 1.157,1250 1.076,1251 1.396,1252 1.423,1253 0.35,1254 1.423,1255 1.094,1256 1.045,1257 1.225,1258 1.283,1259 0.247,1260 1.262,1261 4.369,1263 5.673,1264 2.398,1265 7.168,1266 4.595,1267 8.749,1268 6.605,1269 10.378,1277 0.58,1278 8.932,1287 9.037,1288 2.056,1289 38.047,1290 85.325,1291 203.887,1292 262.001,1293 297.975,1294 303.975,1295 307.975,1296 51.172,1297 8.346,1298 120.03,1299 120.03,1300 29,1301 12.684,1302 4.954,1303 4.17,1304 52.267,1305 173,1306 184,1307 0.142,1308 234.717,1309 396.61,1310 564.468,1311 59417,1313 24.037,1314 0.687,1315 0.529,1316 24.037,1317 18.512,1318 17.174,1319 0.44,1320 0.278,1321 10.681,1322 16.569,1323 10.49,1324 8.724,1325 17.174,1326 10.829,1327 15.104,1328 0.285,1329 0.145,1330 15.104,1331 7.694,1332 12.635,1333 0.183,1334 0.076,1335 12.635,1336 5.249,1337 10.866,1338 0.119,1339 0.039,1340 10.866,1341 3.592,1342 8.573,1343 0.077,1344 0.021,1345 8.573,1346 2.323,1347 0.228,1348 107.184,1349 0.193,1350 32.63,1351 0.378,1352 184,1353 544.96,1354 200.59,1355 543.215,1356 749.1,1357 508,1358 214,1359 560.157,1360 230.982,1361 572.162,1362 826.82,1363 538,1364 5.721}
{0 CHEMBL1080669,1 1.54,2 16.8,3 4.963,4 24.626,5 152.77,6 8.117,7 0.756,8 4.296,9 4.41,10 3.944,11 3.868,12 5.477,13 3.869,14 4.762,15 4.905,16 4.283,17 4.23,18 5.949,19 4.213,20 5.002,21 5.192,22 4.282,23 4.317,24 6.087,25 4.271,26 5.001,27 5.212,28 4.242,29 4.256,30 6.082,31 4.209,32 4.987,33 5.194,34 4.239,35 4.269,36 6.104,37 4.23,38 4.992,39 5.185,40 4.289,41 4.335,42 6.124,43 4.281,44 5.035,45 5.246,46 4.259,47 4.345,48 6.122,49 4.28,50 5.009,51 5.227,52 4.187,53 4.294,54 6.078,55 4.217,56 0.053,57 0.991,58 10.951,59 5.112,60 9.417,61 6.152,62 0.277,63 1.561,64 19.173,65 8.271,66 26.309,67 10.218,68 0.426,69 1.874,70 28.921,71 11.114,72 44.696,73 13.821,74 0.351,75 1.85,76 30.27,77 11.115,78 43.262,79 14.477,80 0.506,81 1.85,82 30.009,83 10.279,84 55.76,85 12.726,86 0.427,87 1.857,88 28.453,89 11.198,90 50.146,91 14.546,92 0.444,93 1.944,94 30.923,95 11.745,96 52.493,97 15.402,98 0.416,99 1.863,100 30.589,101 11.899,102 43.818,103 15.795,104 2,105 61,106 0.238,107 0.529,108 0.7,109 0.834,110 0.873,111 0.889,112 3.717,113 0.845,114 -4.32,115 -4.26,116 -4.02,118 47.7,124 1,138 15,139 2,140 4,141 3,142 1,143 1,147 2,154 1,156 1,167 12,170 1,171 7,173 3,174 1,175 5,178 12,181 2,182 7,184 2,186 5,188 5,192 10,195 1,197 7,199 4,204 10,206 2,208 5,211 6,214 1,215 9,218 2,220 5,223 11,227 2,228 1,231 1,232 1,233 3,235 13,239 3,240 5,243 2,245 3,247 12,252 7,255 1,256 1,257 3,260 6,264 3474,265 27.825,266 27.825,267 27.825,268 27.825,269 27.825,270 23.654,271 27.905,272 16.898,273 28.387,274 22.352,275 22.352,276 22.352,277 22.352,278 22.352,279 16.171,280 44.023,281 8.173,282 23.287,283 4.482,284 2.605,285 1.503,286 0.633,287 0.381,288 0.277,289 4.437,294 1,295 1500,296 3.606,299 101.572,300 654.156,303 177.217,307 2.57,308 28.35,311 0.75,312 0.5,313 0.83,314 0.5,316 0.83,317 1,318 0.63,319 85.5,320 672,321 4.574,322 3.564,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.182,331 3.171,332 6.11,333 3.778,334 2.813,335 3.806,336 0.86,337 8.968,338 2.706,339 4.123,340 3.078,341 5.716,342 3.712,343 2.755,344 3.715,345 0.657,346 8.103,347 2.632,348 3.898,349 2.807,350 5.49,351 3.509,352 2.542,353 3.446,354 0.247,355 7.396,356 2.484,357 3.884,358 2.725,359 5.367,360 3.49,361 2.519,362 3.414,364 7.012,365 2.409,366 3.743,367 2.57,368 5.315,369 3.34,370 2.369,371 3.128,373 6.893,374 2.295,375 3.5,376 2.33,377 5.191,378 3.058,379 2.096,380 2.858,382 6.259,383 2.018,384 3.456,385 2.185,386 4.95,387 3.004,388 2.071,389 2.767,391 5.847,392 1.918,393 3.202,394 2.13,395 4.602,396 2.76,397 1.779,398 2.427,400 4.865,401 1.73,402 2.927,403 1.599,404 4.347,405 2.431,406 1.498,407 2.105,409 4.053,410 1.411,411 2.918,412 1.531,413 3.785,414 2.429,415 1.459,416 2.089,417 3.186,418 1.394,419 2.857,420 1.52,421 3.597,422 2.382,423 1.402,424 2.008,425 3.039,426 1.369,427 2.663,428 1.234,429 3.589,430 2.17,431 1.186,432 1.74,433 2.684,434 1.166,435 2.648,436 1.201,437 3.482,438 2.148,439 1.164,440 1.714,441 2.589,442 1.143,443 2.5,444 1.006,445 3.468,446 2,447 1,448 1.5,449 2.381,450 1,451 18.967,452 0.474,453 0.738,454 0.018,455 62.5,456 1.563,457 35.5,458 0.888,459 27,460 0.675,461 27.257,462 0.681,463 39.833,464 0.613,465 50.63,466 1.266,467 12.656,468 0.316,469 7.035,470 0.176,471 0.018,473 0.285,478 0.885,479 1.262,480 0.713,481 0.966,482 0.669,483 0.834,484 0.823,485 1.147,486 0.887,487 1.061,488 0.623,489 0.995,490 1.246,491 1.021,492 1.065,493 1.025,494 1.087,495 1.024,496 1.127,497 1.198,498 0.961,499 1.051,500 0.902,501 0.991,502 1.506,503 0.889,504 1.084,505 0.812,506 1.608,507 0.864,508 0.859,509 1.085,510 0.962,511 1.025,512 1.064,513 1.008,514 0.925,515 0.958,516 1.007,517 0.965,518 0.992,519 0.988,520 0.811,521 0.933,522 0.997,523 1.036,524 0.969,525 1.041,526 7,527 0.193,528 2.667,529 2,530 1.671,531 1.014,532 0.724,533 0.533,534 0.378,535 0.236,536 31378,537 82895,538 2.198,539 38.5,541 17,542 2,543 3,544 3,549 1.798,550 2.143,551 4.006,552 0.731,558 100.126,559 1.54,560 3.418,561 4.519,562 5.39,563 5.642,564 5.745,565 3.485,566 4.703,567 5.291,568 4.192,569 3269.87,570 9.327,571 59478.1,576 391.454,577 1.005,578 5.288,579 0.156,580 0.005,581 0.044,582 0.034,583 0.03,584 0.018,585 0.012,586 0.009,587 0.007,588 0.005,589 0.319,590 0.17,591 0.75,592 0.266,593 229.751,594 -0.074,595 -0.163,596 0.049,597 -0.042,598 -0.083,599 0.013,600 0.126,601 -0.059,602 -0.055,603 -0.137,604 0.084,605 -0.129,606 -0.09,607 -0.005,608 -0.106,609 -0.067,610 -0.123,611 -0.089,612 -0.039,613 -0.198,614 0.038,615 -0.085,616 0.059,617 -0.025,618 -0.241,619 0.154,620 -0.088,621 0.127,622 -0.184,623 0.062,624 0.087,625 -0.077,626 -0.018,627 -0.055,628 0.052,629 -0.051,630 -0.004,631 0.052,632 -0.036,633 0.006,634 0.003,635 -0.016,636 0.083,637 0.051,638 -0.011,639 -0.048,640 0.029,641 -0.045,642 2.035,643 5.808,644 0.825,645 56.078,646 1.005,647 1.118,648 3.093,649 9.567,650 0.705,651 3.829,652 4.127,653 4.382,654 4.663,655 4.875,656 4.942,657 5.112,658 5.273,659 5.361,660 5.476,661 9.585,662 0.682,663 527.63,664 3.829,665 5.361,666 6.201,667 7.066,668 7.918,669 8.789,670 9.648,671 10.523,672 11.387,673 12.266,674 10.8,679 1,681 2,682 1,684 3,689 1,690 20,691 3,695 8,697 34,709 1,714 1,716 65,718 35,719 3,720 45,722 70,723 31,724 29,725 5,726 13,728 6,729 7,731 1,740 30,741 1,744 1,749 1,753 1,760 25,761 8,762 3,763 9,766 1,769 7,775 0.833,776 2,784 1,787 1,793 1,794 5,797 1,819 5,827 40,833 1,834 3,835 1,850 3.1,853 1,855 1,858 18.667,859 11.55,860 8.75,861 3.651,863 6.12,864 1.687,865 1.041,866 7.553,867 15.022,868 4.159,869 4.773,870 5.355,871 5.966,872 6.496,873 6.741,874 7.206,875 7.674,876 7.996,877 8.398,878 1,879 59,880 14.698,881 6.237,882 7.679,883 27.954,884 22.654,885 2.179,886 87.167,890 258.964,891 222.934,892 105.675,894 36.145,897 222.934,898 295.109,899 105.675,901 38.127,902 160.239,903 130.541,904 64.557,905 30.146,906 200.109,908 258.964,909 328.609,910 36.145,913 258.964,914 36.145,917 71.028,918 189.214,919 68.367,921 258.964,922 141.82,923 222.934,926 258.964,927 35.553,928 188.667,929 54.032,930 86.501,931 258.964,932 141.82,933 222.934,935 0.571,936 0.325,937 0.183,938 0.098,939 29,940 11,941 0.114,942 8,943 1,944 1.061,945 5.224,946 394.249,947 0.061,948 33,949 202.877,954 25.41,955 11.89,956 6.417,957 0.727,958 140.534,959 37.213,960 13.349,964 5.912,966 54.032,967 623.718,968 63,973 12.808,977 -0.369,980 65.32,981 72.644,983 0.256,984 0.567,985 0.75,986 0.895,987 0.937,988 0.954,989 5.364,990 2.071,991 6.151,992 6.259,993 4.812,994 5.462,995 2.097,996 6.907,997 4.73,998 6.561,999 1.779,1000 7.662,1001 5.847,1002 4.205,1003 5.085,1004 1.195,1005 7.636,1006 4.073,1007 7.848,1008 1.498,1009 9.27,1010 4.865,1011 6.347,1012 7.656,1013 2.538,1014 10.744,1015 6.176,1016 9.17,1017 1.459,1018 10.937,1019 4.053,1020 6.581,1021 8.133,1022 2.324,1023 12.336,1024 6.348,1025 10.522,1026 1.402,1027 12.643,1028 3.186,1029 8.14,1030 10.126,1031 3.281,1032 14.926,1033 7.875,1034 11.897,1035 1.186,1036 14.377,1037 3.039,1038 8.79,1039 11.052,1040 3.407,1041 16.905,1042 8.456,1043 13.29,1044 1.164,1045 16.132,1046 2.684,1047 10.088,1048 12.774,1049 4.166,1050 19.314,1051 9.721,1052 3.133,1053 1,1054 17.903,1055 2.589,1056 10.957,1057 13.954,1058 4.464,1059 21.479,1060 10.519,1061 2.813,1062 10.48,1063 19.688,1064 2.381,1065 12.137,1066 15.545,1067 5.114,1068 23.828,1069 11.66,1070 2.755,1071 8.968,1072 21.484,1073 4.516,1074 13.121,1075 16.869,1076 5.504,1077 26.081,1078 12.574,1079 2.542,1080 8.103,1081 23.29,1082 3.806,1083 14.252,1084 18.399,1085 6.092,1086 28.414,1087 13.659,1088 2.519,1089 7.396,1090 25.104,1091 3.715,1092 15.298,1093 19.804,1094 6.531,1095 30.71,1096 14.636,1097 2.369,1098 7.012,1099 26.926,1100 3.446,1101 16.412,1102 21.31,1103 7.084,1104 33.042,1105 15.698,1106 2.096,1107 6.893,1108 28.754,1109 3.414,1110 17.491,1111 22.759,1112 7.551,1113 35.36,1114 16.711,1115 28547,1116 46615,1117 31.493,1118 45.801,1119 66.888,1120 67.596,1121 66.664,1122 66.187,1123 66.159,1124 91.835,1125 6.841,1126 182.537,1127 63.528,1128 5.448,1129 5.564,1130 6.375,1131 5.145,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 8.498,1138 1.486,1139 1.502,1140 1.481,1141 1.471,1142 1.47,1143 2.041,1144 0.152,1145 4.056,1146 1.412,1147 4.13,1148 4.181,1149 4.102,1150 3.977,1151 7.431,1152 3.999,1153 3.96,1154 3.986,1155 3.908,1156 3.861,1157 5.116,1158 3.867,1159 3.882,1160 3.921,1161 3.824,1162 3.788,1163 4.941,1164 3.794,1165 3.865,1166 3.904,1167 3.803,1168 3.761,1169 4.894,1170 3.763,1171 3.82,1172 3.852,1173 3.75,1174 3.748,1175 4.746,1176 3.75,1177 3.435,1178 3.481,1179 3.388,1180 3.187,1181 4.684,1182 3.225,1183 3.343,1184 3.423,1185 3.256,1186 3.102,1187 4.438,1188 3.136,1189 3.191,1190 3.253,1191 3.099,1192 3.016,1193 4.216,1194 3.029,1195 0.102,1196 0.079,1197 0.146,1198 0.091,1199 0.07,1200 4.574,1201 0.1,1202 3.564,1203 0.037,1204 6.573,1205 0.233,1206 4.073,1207 0.066,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.967,1214 1.935,1215 2.046,1216 2.107,1217 1.155,1218 2.086,1219 1.911,1220 1.89,1221 2.019,1222 2.026,1223 1.091,1224 2.021,1225 1.856,1226 1.818,1227 1.978,1228 1.98,1229 1.077,1230 1.983,1231 1.829,1232 1.799,1233 1.953,1234 1.932,1235 1.019,1236 1.936,1237 1.736,1238 1.691,1239 1.819,1240 1.89,1241 0.907,1242 1.884,1243 1.401,1244 1.341,1245 1.56,1246 1.613,1247 0.579,1248 1.603,1249 1.27,1250 1.224,1251 1.419,1252 1.573,1253 0.458,1254 1.527,1255 1.155,1256 1.072,1257 1.391,1258 1.423,1259 0.348,1260 1.423,1261 4.511,1263 5.814,1264 2.398,1265 7.306,1266 4.595,1267 8.883,1268 6.605,1269 10.505,1277 0.584,1278 9.151,1279 5.867,1289 44.321,1290 100.126,1291 222.147,1292 293.731,1293 350.334,1294 366.699,1295 373.454,1296 54.504,1297 8.902,1298 105.47,1299 105.47,1300 35,1301 12.806,1302 5.17,1303 4.248,1304 57.475,1305 232,1306 236,1307 0.117,1308 269.559,1309 455,1310 649.485,1311 127057,1313 27.15,1314 0.679,1315 0.534,1316 27.15,1317 21.359,1318 19.692,1319 0.438,1320 0.282,1321 12.506,1322 19.005,1323 12.29,1324 10.215,1325 19.692,1326 12.674,1327 17.435,1328 0.286,1329 0.147,1330 17.435,1331 8.945,1332 14.449,1333 0.183,1334 0.077,1335 14.449,1336 6.07,1337 12.604,1338 0.12,1339 0.04,1340 12.604,1341 4.187,1342 10.032,1343 0.077,1344 0.021,1345 10.032,1346 2.735,1347 0.19,1348 122.753,1349 0.178,1350 36.641,1351 0.304,1352 212,1353 609.05,1354 232.104,1355 599.054,1356 837.51,1357 564,1358 246,1359 638.022,1360 266.302,1361 646.264,1362 939.12,1363 610,1364 4.979}
{0 CHEMBL1080841,1 1.618,2 14.486,3 3.944,4 15.556,5 139.436,6 8.304,7 0.718,8 4.174,9 4.294,10 3.874,11 3.772,12 5.335,13 3.745,14 4.646,15 4.8,16 4.195,17 4.139,18 5.799,19 4.088,20 4.848,21 5.037,22 4.202,23 4.231,24 5.926,25 4.157,26 4.894,27 5.107,28 4.173,29 4.177,30 5.963,31 4.104,32 4.908,33 5.134,34 4.118,35 4.15,36 5.995,37 4.086,38 4.847,39 5.05,40 4.177,41 4.165,42 5.953,43 4.109,44 4.871,45 5.087,46 4.136,47 4.191,48 5.969,49 4.119,50 4.848,51 5.058,52 4.074,53 4.179,54 5.916,55 4.084,56 0.042,57 0.922,58 10.231,59 4.738,60 8.498,61 5.697,62 0.287,63 1.459,64 20.994,65 8.225,66 24.479,67 9.864,68 0.316,69 1.704,70 26.252,71 10.112,72 33.837,73 12.472,74 0.216,75 1.734,76 28.429,77 10.38,78 35.435,79 13.471,80 0.448,81 1.729,82 31.004,83 10.186,84 52.005,85 12.61,86 0.311,87 1.643,88 26.499,89 9.536,90 38.34,91 12.176,92 0.387,93 1.67,94 27.729,95 10.331,96 47.643,97 13.392,98 0.431,99 1.619,100 26.264,101 10.193,102 44.931,103 13.023,104 6,105 53,106 0.258,107 0.594,108 0.768,109 0.867,110 0.883,111 0.894,112 3.588,113 0.938,114 -4.29,115 -4.22,116 -3.99,118 44.8,123 1,124 1,138 10,139 2,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 8,170 1,171 3,173 3,174 1,175 5,178 10,181 2,182 4,184 2,186 5,188 4,192 8,197 8,199 1,204 10,206 2,208 5,215 10,218 1,220 4,223 5,227 2,228 1,231 1,232 1,233 1,235 10,239 3,240 1,243 2,247 13,252 3,255 1,256 1,257 1,260 8,264 2463,265 24.264,266 24.264,267 24.264,268 24.264,269 24.264,270 20.845,271 23.764,272 14.585,273 24.994,274 19.28,275 19.28,276 19.28,277 19.28,278 19.28,279 14.094,280 36.455,281 6.937,282 20.295,283 4.24,284 2.133,285 1.047,286 0.427,287 0.323,288 0.254,289 4.299,294 1,295 1114,296 3.536,299 85.903,300 442.287,303 150.286,307 2.271,308 23.118,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 74.5,320 507,321 4.574,322 4.329,323 6.573,324 4.073,325 3.133,326 4.516,327 2.95,328 10.48,329 2.956,330 4.18,331 3.562,332 6.11,333 3.774,334 2.806,335 3.806,336 1.656,337 8.968,338 2.704,339 4.087,340 3.171,341 5.658,342 3.672,343 2.713,344 3.68,345 0.657,346 7.904,347 2.596,348 3.898,349 2.807,350 5.422,351 3.506,352 2.521,353 3.446,354 0.247,355 7.175,356 2.484,357 3.766,358 2.725,359 5.367,360 3.396,361 2.439,362 3.13,364 7.012,365 2.327,366 3.512,367 2.641,368 5.191,369 3.088,370 2.145,371 2.86,373 6.26,374 2.019,375 3.463,376 2.345,377 5.061,378 3.005,379 2.081,380 2.778,382 6.128,383 1.918,384 3.211,385 2.274,386 4.617,387 2.767,388 1.799,389 2.427,391 4.896,392 1.712,393 2.925,394 2.185,395 4.348,396 2.431,397 1.498,398 2.1,400 4.053,401 1.402,402 2.917,403 1.599,404 3.785,405 2.42,406 1.451,407 2.087,409 3.186,410 1.394,411 2.675,412 1.531,413 3.59,414 2.19,415 1.208,416 1.754,417 2.688,418 1.181,419 2.655,420 1.31,421 3.494,422 2.149,423 1.171,424 1.723,425 2.612,426 1.143,427 2.5,428 1.201,429 3.469,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1.006,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.967,452 0.485,453 0.67,454 0.019,455 53,456 1.514,457 29.5,458 0.843,459 23.5,460 0.671,461 25.157,462 0.719,463 35.233,464 0.607,465 40.779,466 1.165,467 10.364,468 0.296,469 6.81,470 0.195,471 0.049,473 0.289,478 0.888,479 1.264,480 0.719,481 0.899,482 0.651,483 0.834,484 0.753,485 1.099,486 1.048,487 1.056,488 0.586,489 0.95,490 1.041,491 1.043,492 1.038,493 1.033,494 1.03,495 1.046,496 1.044,497 1.286,498 0.895,499 1.082,500 0.876,501 1.054,502 1.553,503 0.899,504 1.001,505 0.822,506 1.57,507 0.865,508 1.204,509 1.07,510 0.824,511 0.935,512 1.256,513 0.952,514 0.999,515 0.882,516 0.841,517 0.838,518 0.993,519 0.903,520 1.08,521 0.801,522 0.93,523 0.86,524 1.338,525 1.011,526 6.5,527 0.176,528 2.667,529 1.813,530 1.6,531 1.007,532 0.646,533 0.431,534 0.345,535 0.192,536 20218,537 55652,538 2.158,539 39.7,541 15,542 2,543 3,544 3,549 1.767,550 2.079,551 3.802,552 0.82,558 93.858,559 1.618,560 3.725,561 4.811,562 5.431,563 5.535,564 5.604,565 3.269,566 4.901,567 5.098,568 3.978,569 2366.64,570 8.95,571 38119.5,576 339.763,577 1.15,578 5.086,579 0.167,580 0.005,581 0.05,582 0.035,583 0.033,584 0.021,585 0.013,586 0.009,587 0.008,588 0.005,589 0.345,590 0.17,591 0.75,592 0.529,593 191.551,594 -0.085,595 -0.157,596 0.056,597 0.004,598 -0.077,599 0.021,600 0.169,601 0.003,602 -0.09,603 -0.074,604 0.104,605 -0.057,606 -0.041,607 -0.007,608 -0.129,609 -0.094,610 -0.106,611 -0.121,612 -0.044,613 -0.294,614 0.005,615 -0.165,616 0.047,617 -0.101,618 -0.213,619 0.111,620 -0.062,621 0.083,622 -0.128,623 0.069,624 -0.077,625 -0.074,626 0.021,627 -0.05,628 -0.054,629 -0.021,630 0.037,631 0.099,632 0.014,633 0.06,634 0.067,635 0.053,636 -0.01,637 0.174,638 -0.08,639 0.044,640 -0.154,641 -0.058,642 1.974,643 5.572,644 0.771,645 43.739,646 1.003,647 1.12,648 3.055,649 9.335,650 0.711,651 3.689,652 3.989,653 4.248,654 4.522,655 4.727,656 4.804,657 4.97,658 5.106,659 5.209,660 5.323,661 8.335,662 0.677,663 481.63,664 3.689,665 5.22,666 6.061,667 6.929,668 7.784,669 8.657,670 9.52,671 10.397,672 11.265,673 12.146,674 12.1,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,716 58,718 29,719 2,720 39,722 62,723 26,724 23,725 4,726 8,728 5,729 6,731 1,740 24,741 2,744 1,749 1,753 1,760 23,761 7,762 3,763 9,764 1,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,820 1,821 1,823 1,827 35,833 1,834 3,836 1,850 1.7,853 1,858 16.833,859 10.633,860 7.75,861 3.165,863 5.004,864 1.6,865 1.03,866 7.051,867 13.35,868 4.007,869 4.623,870 5.214,871 5.827,872 6.351,873 6.625,874 7.084,875 7.53,876 7.857,877 8.267,878 0.9,879 52,880 12.864,881 5.413,882 7.667,883 24.555,884 19.824,885 2.167,886 75.833,890 235.422,891 206.026,892 105.675,894 25.145,896 32.22,897 173.807,898 260.567,899 105.675,900 7.19,901 38.127,902 112.857,903 130.541,904 44.621,905 30.146,906 208.786,908 235.422,909 279.482,910 25.145,911 32.22,913 235.422,914 25.145,917 71.028,918 140.087,919 68.367,920 32.22,921 235.422,922 130.82,923 206.026,926 235.422,927 58.836,928 148.476,929 54.032,930 75.502,931 235.422,932 130.82,933 206.026,935 0.571,936 0.33,937 0.183,938 0.097,939 25,940 10,941 0.113,942 7,943 1,944 1.074,945 4.717,946 328.125,947 0.074,948 27,949 175.525,950 1,954 23.06,955 10.702,956 5.69,957 0.74,958 129.534,959 28.305,960 13.319,964 5.882,966 54.032,967 572.269,968 54,973 12.572,977 -0.307,980 58.185,981 64.939,983 0.276,984 0.636,985 0.821,986 0.927,987 0.945,988 0.957,989 5.215,990 1.799,991 6.019,992 6.128,993 4.673,994 5.311,995 3.181,996 6.786,997 4.578,998 6.416,999 1.498,1000 7.541,1001 4.896,1002 4.111,1003 4.997,1004 1.195,1005 7.554,1006 3.976,1007 7.71,1008 1.451,1009 9.159,1010 4.053,1011 6.221,1012 7.521,1013 5.094,1014 10.651,1015 6.037,1016 9.039,1017 1.208,1018 10.835,1019 3.186,1020 6.494,1021 8.06,1022 2.324,1023 12.269,1024 6.257,1025 10.399,1026 1.171,1027 12.549,1028 2.688,1029 8.028,1030 10.016,1031 7.203,1032 14.859,1033 7.753,1034 11.782,1035 1,1036 14.291,1037 2.612,1038 8.708,1039 10.991,1040 3.407,1041 16.856,1042 8.372,1043 13.183,1044 1,1045 16.053,1046 2.381,1047 9.992,1048 12.691,1049 9.353,1050 19.269,1051 9.619,1052 3.133,1053 0.879,1054 17.831,1055 2.2,1056 10.881,1057 13.907,1058 4.464,1059 21.445,1060 10.443,1061 2.806,1062 10.48,1063 19.622,1064 2.136,1065 12.056,1066 15.486,1067 11.513,1068 23.799,1069 11.575,1070 2.713,1071 8.968,1072 21.424,1073 4.516,1074 13.054,1075 16.834,1076 5.504,1077 26.059,1078 12.507,1079 2.521,1080 7.904,1081 23.236,1082 3.806,1083 14.185,1084 18.36,1085 13.675,1086 28.395,1087 13.59,1088 2.439,1089 7.175,1090 25.055,1091 3.68,1092 15.24,1093 19.779,1094 6.531,1095 30.696,1096 14.579,1097 2.145,1098 7.012,1099 26.882,1100 3.446,1101 16.356,1102 21.284,1103 15.839,1104 33.03,1105 15.641,1106 2.081,1107 6.26,1108 28.714,1109 3.13,1110 17.441,1111 22.741,1112 7.551,1113 35.351,1114 16.662,1115 18789,1116 31339,1117 26.929,1118 41.233,1119 57.753,1120 61.533,1121 58.268,1122 57.232,1123 57.381,1124 78.95,1125 11.021,1126 159.491,1127 54.604,1128 5.444,1129 6.329,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 5.9,1135 17.431,1136 4.956,1137 11.624,1138 1.481,1139 1.578,1140 1.494,1141 1.467,1142 1.471,1143 2.024,1144 0.283,1145 4.09,1146 1.4,1147 4.128,1148 4.18,1149 4.103,1150 3.976,1151 7.431,1152 3.998,1153 3.925,1154 3.959,1155 4.003,1156 3.863,1157 5.115,1158 3.844,1159 3.877,1160 3.919,1161 3.827,1162 3.787,1163 4.897,1164 3.791,1165 3.854,1166 3.887,1167 3.806,1168 3.751,1169 4.761,1170 3.76,1171 3.44,1172 3.485,1173 3.54,1174 3.236,1175 4.722,1176 3.235,1177 3.344,1178 3.425,1179 3.33,1180 3.162,1181 4.437,1182 3.146,1183 3.211,1184 3.279,1185 3.248,1186 3.081,1187 4.115,1188 3.055,1189 3.178,1190 3.243,1191 3.095,1192 3.009,1193 4.017,1194 3.012,1195 0.117,1196 0.111,1197 0.169,1198 0.104,1199 0.08,1200 4.574,1201 0.116,1202 4.329,1203 0.076,1204 6.573,1205 0.269,1206 4.073,1207 0.076,1208 3.133,1209 4.516,1210 2.95,1211 10.48,1212 2.956,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.886,1220 1.863,1221 1.98,1222 1.993,1223 1.093,1224 1.993,1225 1.855,1226 1.817,1227 1.969,1228 1.966,1229 1.086,1230 1.974,1231 1.737,1232 1.691,1233 1.819,1234 1.895,1235 0.907,1236 1.886,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.653,1242 1.603,1243 1.292,1244 1.247,1245 1.522,1246 1.573,1247 0.579,1248 1.545,1249 1.201,1250 1.139,1251 1.418,1252 1.423,1253 0.458,1254 1.472,1255 1.154,1256 1.071,1257 1.388,1258 1.4,1259 0.347,1260 1.422,1261 4.369,1263 5.673,1264 2.398,1265 7.168,1266 4.595,1267 8.749,1268 6.605,1269 10.378,1271 2,1277 0.598,1278 9.167,1280 1.625,1289 39.266,1290 93.858,1291 216.066,1292 279.034,1293 315.008,1294 321.008,1295 325.008,1296 47.912,1297 8.346,1298 96.24,1299 121.54,1300 29,1301 12.684,1302 4.907,1303 4,1304 52.267,1305 173,1306 184,1307 0.142,1308 244.908,1309 409.4,1310 589.336,1311 59417,1313 24.037,1314 0.687,1315 0.565,1316 24.391,1317 19.789,1318 17.174,1319 0.44,1320 0.313,1321 10.935,1322 16.095,1323 10.56,1324 8.801,1325 17.732,1326 12.193,1327 15.104,1328 0.285,1329 0.163,1330 15.597,1331 8.613,1332 12.635,1333 0.183,1334 0.088,1335 13.109,1336 6.053,1337 10.866,1338 0.119,1339 0.045,1340 11.242,1341 4.086,1342 8.573,1343 0.077,1344 0.024,1345 8.881,1346 2.671,1347 0.228,1348 112.407,1349 0.193,1350 32.63,1351 0.378,1352 184,1353 520.175,1354 218.838,1355 535.602,1356 742.78,1357 504,1358 214,1359 544.463,1360 243.678,1361 566.794,1362 821.56,1363 532,1364 5.921}
{0 CHEMBL1080872,1 1.895,2 13.946,3 4.612,4 21.269,5 134.683,6 9.367,7 0.683,8 4.169,9 4.264,10 4.03,11 3.751,12 5.379,13 3.754,14 4.694,15 4.82,16 4.4,17 4.126,18 6.403,19 4.127,20 4.883,21 5.048,22 4.395,23 4.246,24 6.192,25 4.207,26 4.98,27 5.169,28 4.38,29 4.196,30 6.321,31 4.17,32 4.931,33 5.119,34 4.419,35 4.157,36 6.234,37 4.15,38 4.916,39 5.08,40 4.398,41 4.173,42 6.664,43 4.163,44 4.878,45 5.078,46 4.237,47 4.19,48 6.107,49 4.141,50 4.845,51 5.034,52 4.238,53 4.161,54 6.103,55 4.104,56 0.232,57 1.115,58 8.991,59 5.042,60 37.703,61 4.739,62 1.079,63 2.104,64 15.937,65 8.226,66 167.215,67 7.943,68 0.684,69 1.98,70 23.214,71 11.067,72 67.884,73 11.58,74 1.037,75 2.119,76 31.599,77 11.981,78 134.678,79 11.714,80 1.022,81 2.049,82 32.831,83 11.29,84 144.874,85 10.544,86 1.594,87 1.97,88 25.095,89 10.096,90 262.878,91 10.416,92 0.838,93 1.828,94 26.002,95 10.503,96 99.732,97 12.173,98 0.721,99 1.839,100 22.145,101 10.383,102 64.612,103 11.969,104 27,105 60,106 0.303,107 0.598,108 0.773,109 0.876,110 0.882,111 0.882,112 3.642,113 0.91,114 -4.32,115 -4.25,116 -4.02,118 44.6,124 1,130 1,138 10,139 3,140 2,141 3,142 1,143 1,147 2,156 1,167 10,170 2,171 3,173 3,175 3,178 9,181 2,182 8,184 2,186 6,188 4,192 12,197 4,204 13,206 2,208 3,211 4,215 9,218 1,220 1,223 9,227 3,228 1,232 1,233 1,235 12,239 4,240 3,243 1,247 9,252 5,255 2,257 1,260 4,264 2687,265 24.529,266 24.529,267 24.529,268 24.529,269 24.529,270 21.04,271 20.205,272 14.283,273 25.295,274 20.299,275 20.299,276 20.299,277 20.299,278 20.299,279 14.966,280 24.522,281 6.824,282 21.646,283 3.912,284 2.073,285 0.977,286 0.335,287 0.299,288 0.299,289 4.344,294 1,295 1122,296 4.416,299 91.575,300 465.998,303 159.716,307 2.169,308 63.23,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 83.5,320 516,321 4.865,322 4.69,323 7.322,324 4.34,325 3.428,326 4.714,327 3.825,328 12.565,329 3.115,330 4.574,331 4.455,332 7.099,333 4.13,334 3.268,335 4.515,336 0.657,337 11.628,338 2.949,339 4.411,340 3.172,341 6.573,342 4.068,343 3.13,344 3.8,346 10.48,347 2.822,348 4.149,349 2.82,350 6.107,351 3.726,352 2.753,353 3.73,355 8.947,356 2.66,357 3.898,358 2.729,359 5.372,360 3.505,361 2.52,362 3.446,364 7.012,365 2.483,366 3.635,367 2.396,368 5.367,369 3.225,370 2.265,371 3.052,373 6.861,374 2.166,375 3.476,376 2.187,377 5.191,378 3.006,379 2.083,380 2.844,382 6.259,383 1.918,384 3.434,385 2.173,386 4.922,387 2.936,388 1.98,389 2.744,391 5.652,392 1.859,393 2.951,394 1.602,395 4.471,396 2.453,397 1.498,398 2.15,400 4.222,401 1.43,402 2.92,403 1.594,404 4.34,405 2.431,406 1.491,407 2.09,409 3.791,410 1.394,411 2.732,412 1.429,413 3.787,414 2.24,415 1.283,416 1.806,417 3.186,418 1.208,419 2.66,420 1.2,421 3.592,422 2.151,423 1.177,424 1.732,425 2.687,426 1.143,427 2.563,428 1.144,429 3.502,430 2.075,431 1.086,432 1.59,433 2.495,434 1.066,435 2.5,436 1.006,437 3.47,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.257,452 0.466,453 1.156,454 0.031,455 54.75,456 1.48,457 30,458 0.811,459 24.75,460 0.669,461 27.201,462 0.735,463 39.143,464 0.699,465 48.765,466 1.318,467 10.93,468 0.295,469 6.758,470 0.183,471 0.088,472 0.077,473 0.255,476 3,478 0.564,479 1.073,480 0.699,481 1.133,482 0.619,483 0.855,484 0.489,485 0.813,486 0.799,487 0.927,488 0.421,489 0.922,490 0.69,491 0.927,492 0.983,493 1.126,494 0.628,495 1.098,496 1.15,497 1.068,498 1.183,499 1.089,500 1.074,501 1.033,502 1.067,503 0.905,504 1.043,505 1.001,506 1.087,507 0.88,508 0.704,509 0.791,510 0.912,511 0.877,512 0.697,513 0.998,514 0.649,515 0.733,516 0.862,517 0.858,518 0.591,519 0.959,520 0.592,521 0.856,522 0.842,523 1.019,524 0.58,525 1.13,526 9.5,527 0.288,528 4.667,529 2.438,530 2.196,531 1.632,532 0.731,533 0.691,534 0.408,535 0.396,536 22016,537 79017,538 2.087,539 33.9,541 12,542 2,543 3,544 2,549 1.782,550 1.947,551 3.749,552 0.243,558 106.14,559 1.895,560 3.734,561 4.83,562 5.472,563 5.508,564 5.508,565 3.236,566 4.757,567 5.181,568 3.949,569 2630.2,570 9.12,571 43127.7,576 325.212,577 1.578,578 5.128,579 0.232,580 0.007,581 0.078,582 0.041,583 0.039,584 0.029,585 0.013,586 0.013,587 0.008,588 0.009,589 0.469,590 0.17,591 0.75,592 0.672,593 204.384,594 -0.009,595 -0.137,596 0.145,597 -0.092,598 -0.125,599 0.012,600 0.366,601 0.216,602 0.011,603 0.018,604 0.4,605 -0.075,606 -0.022,607 -0.104,608 -0.043,609 -0.129,610 0.013,611 -0.125,612 -0.203,613 -0.145,614 -0.106,615 -0.063,616 -0.119,617 -0.045,618 -0.151,619 -0.039,620 0.042,621 0.018,622 -0.156,623 0.096,624 0.321,625 0.168,626 -0.041,627 0.038,628 0.367,629 -0.082,630 0.002,631 0.048,632 0.016,633 0.061,634 0.004,635 0.06,636 0.056,637 -0.067,638 0.02,639 -0.092,640 0.02,641 -0.117,642 5.91,643 5.822,644 0.73,645 43.462,646 1.035,647 1.137,648 3.088,649 9.538,650 0.705,651 3.738,652 4.111,653 4.344,654 4.595,655 4.828,656 4.927,657 5.081,658 5.204,659 5.293,660 5.429,661 8.238,662 0.698,663 524.57,664 3.738,665 5.313,666 6.163,667 7.06,668 7.929,669 8.827,670 9.704,671 10.603,672 11.484,673 12.384,674 10.7,679 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,716 56,718 30,719 2,720 41,722 60,723 25,724 23,725 4,726 8,728 5,729 6,732 1,737 1,740 23,741 2,744 2,747 1,749 2,758 3,760 19,761 10,762 2,763 12,764 1,766 1,769 6,775 0.8,776 2,784 1,787 1,793 1,794 4,797 1,819 4,821 1,825 3,827 37,831 1,833 1,834 2,839 1,849 3,850 3.6,853 2,858 19,859 9.979,860 7.792,861 3.036,863 5.076,864 1.598,865 1.042,866 6.592,867 13.56,868 4.06,869 4.734,870 5.303,871 5.901,872 6.446,873 6.751,874 7.213,875 7.617,876 7.95,877 8.38,878 1,879 59,880 14.626,881 7.306,882 8.23,883 25.079,884 20.868,885 2.73,886 101,890 200.109,891 176.336,892 86.059,894 44.313,895 44.88,896 5.807,897 170.529,898 244.422,899 130.939,901 2.106,902 118.665,903 166.114,904 89.93,905 25.87,906 141.253,907 7.76,908 200.109,909 256.588,910 89.193,911 5.807,913 200.109,914 89.193,917 42.766,918 129.049,919 90.58,921 244.989,922 130.372,923 176.336,925 5.807,926 207.868,927 22.77,928 141.286,929 34.416,930 139.55,931 200.109,932 175.252,933 176.336,935 0.596,936 0.334,937 0.172,938 0.094,939 30,940 13,941 0.117,942 7,943 1,944 1.074,945 4.671,946 365.368,947 0.074,948 27,949 179.995,953 1,954 24.758,955 9.852,956 5.586,957 0.61,958 173.966,959 22.305,960 13.029,964 1.276,966 34.416,967 551.697,968 57,971 -4.271,973 25.644,980 57.949,981 63.669,983 0.326,984 0.643,985 0.832,986 0.942,987 0.948,988 0.948,989 5.313,990 1.98,991 6.205,992 6.259,993 4.796,994 5.423,995 3.078,996 7.076,997 4.67,998 6.574,999 1.498,1000 7.811,1001 5.652,1002 4.635,1003 5.447,1004 3.903,1005 8.342,1006 4.351,1007 7.93,1008 1.491,1009 9.534,1010 4.222,1011 6.518,1012 7.754,1013 5.422,1014 11.349,1015 6.236,1016 9.328,1017 1.283,1018 11.33,1019 3.791,1020 7.155,1021 8.588,1022 6.69,1023 13.407,1024 6.7,1025 10.76,1026 1.177,1027 13.173,1028 3.186,1029 8.579,1030 10.412,1031 8.058,1032 16.033,1033 8.102,1034 12.216,1035 1.086,1036 15.048,1037 2.687,1038 9.544,1039 11.613,1040 9.388,1041 18.367,1042 8.908,1043 13.691,1044 1,1045 16.944,1046 2.495,1047 10.811,1048 13.251,1049 10.734,1050 20.892,1051 10.121,1052 3.428,1053 1,1054 18.857,1055 2.381,1056 11.912,1057 14.625,1058 12.074,1059 23.325,1060 11.083,1061 3.268,1062 12.565,1063 20.782,1064 2.2,1065 13.127,1066 16.191,1067 13.416,1068 25.826,1069 12.222,1070 3.13,1071 11.628,1072 22.717,1073 4.714,1074 14.285,1075 17.646,1076 14.758,1077 28.299,1078 13.256,1079 2.753,1080 10.48,1081 24.659,1082 4.515,1083 15.486,1084 19.186,1085 16.1,1086 30.796,1087 14.367,1088 2.52,1089 8.947,1090 26.607,1091 3.8,1092 16.669,1093 20.681,1094 17.441,1095 33.287,1096 15.437,1097 2.265,1098 7.012,1099 28.56,1100 3.73,1101 17.869,1102 22.213,1103 18.783,1104 35.788,1105 16.54,1106 2.083,1107 6.861,1108 30.517,1109 3.446,1110 19.063,1111 23.727,1112 20.124,1113 38.288,1114 17.628,1115 20668,1116 39496,1117 27.216,1118 39.495,1119 63.204,1120 62.971,1121 62.602,1122 62.743,1123 62.516,1124 85.793,1125 8.965,1126 187.082,1127 58.694,1128 5.705,1129 6.69,1130 7.124,1131 5.411,1132 5.428,1133 7.714,1134 5.335,1135 20.079,1136 5.115,1137 18.569,1138 1.542,1139 1.536,1140 1.527,1141 1.53,1142 1.525,1143 2.093,1144 0.219,1145 4.563,1146 1.432,1147 4.146,1148 4.186,1149 4.737,1150 4.087,1151 8.513,1152 4.031,1153 4.065,1154 4.061,1155 4.095,1156 3.947,1157 7.999,1158 3.947,1159 3.876,1160 3.919,1161 3.818,1162 3.786,1163 7.999,1164 3.788,1165 3.851,1166 3.885,1167 3.799,1168 3.748,1169 7.717,1170 3.757,1171 3.652,1172 3.63,1173 3.768,1174 3.56,1175 6.999,1176 3.49,1177 3.35,1178 3.432,1179 3.279,1180 3.145,1181 5.114,1182 3.163,1183 3.263,1184 3.31,1185 3.264,1186 3.03,1187 4.896,1188 3.044,1189 3.195,1190 3.252,1191 3.109,1192 2.971,1193 4.744,1194 3.01,1195 0.119,1196 0.114,1197 0.179,1198 0.106,1199 0.084,1200 4.865,1201 0.115,1202 4.69,1203 0.093,1204 7.322,1205 0.306,1206 4.34,1207 0.076,1208 3.428,1209 4.714,1210 3.825,1211 12.565,1212 3.115,1213 1.996,1214 1.995,1215 2.043,1216 2.111,1217 1.203,1218 2.106,1219 1.935,1220 1.911,1221 1.985,1222 2.038,1223 1.137,1224 2.048,1225 1.854,1226 1.816,1227 1.974,1228 1.974,1229 1.087,1230 1.977,1231 1.736,1232 1.693,1233 1.816,1234 1.892,1235 0.909,1236 1.883,1237 1.443,1238 1.48,1239 1.56,1240 1.616,1241 0.603,1242 1.634,1243 1.401,1244 1.34,1245 1.412,1246 1.61,1247 0.578,1248 1.603,1249 1.157,1250 1.075,1251 1.249,1252 1.424,1253 0.453,1254 1.424,1255 1.065,1256 1.025,1257 1.204,1258 1.382,1259 0.261,1260 1.31,1261 4.419,1263 5.778,1264 2.398,1265 7.321,1266 4.595,1267 8.944,1268 6.605,1269 10.609,1273 39.176,1277 0.484,1278 5.62,1283 -4.66,1289 39.109,1290 106.14,1291 209.125,1292 270.483,1293 306.457,1294 308.457,1295 308.457,1296 85.935,1297 8.484,1298 101.28,1299 109.66,1300 29,1301 12.91,1302 4.954,1303 4.087,1304 56.766,1305 183,1306 186,1307 0.148,1308 239.04,1309 410.74,1310 575.017,1311 68280,1312 5.4,1313 26.045,1314 0.704,1315 0.536,1316 23.795,1317 19.831,1318 17.688,1319 0.431,1320 0.303,1321 10.878,1322 16.092,1323 10.612,1324 8.744,1325 17.297,1326 12.443,1327 17.34,1328 0.289,1329 0.162,1330 16.682,1331 9.736,1332 13.514,1333 0.178,1334 0.09,1335 13.642,1336 6.845,1337 11.213,1338 0.114,1339 0.049,1340 11.725,1341 4.766,1342 9.06,1343 0.073,1344 0.027,1345 9.574,1346 3.31,1347 0.236,1348 120.359,1349 0.192,1350 33.802,1351 0.399,1352 202,1353 809.911,1354 271.334,1355 727.401,1356 964.42,1357 670,1358 237,1359 667.709,1360 309.529,1361 694.629,1362 1031.96,1363 650,1364 4.301}
{0 CHEMBL1081013,1 1.715,2 15.289,3 4.034,4 16.272,5 144.26,6 8.549,7 0.667,8 4.254,9 4.364,10 3.935,11 3.775,12 5.451,13 3.788,14 4.738,15 4.889,16 4.29,17 4.14,18 5.923,19 4.137,20 4.914,21 5.079,22 4.382,23 4.267,24 6.077,25 4.238,26 4.992,27 5.18,28 4.357,29 4.26,30 6.126,31 4.219,32 5.048,33 5.259,34 4.321,35 4.254,36 6.211,37 4.206,38 4.994,39 5.189,40 4.33,41 4.246,42 6.159,43 4.208,44 4.979,45 5.177,46 4.249,47 4.264,48 6.151,49 4.204,50 4.974,51 5.194,52 4.202,53 4.244,54 6.031,55 4.168,56 0.124,57 0.956,58 9.904,59 4.882,60 9.934,61 5.729,62 0.508,63 1.461,64 20.201,65 7.976,66 34.498,67 9.451,68 0.604,69 1.694,70 26.585,71 9.957,72 45.068,73 12.019,74 0.582,75 1.773,76 30.146,77 10.726,78 44.673,79 13.609,80 0.931,81 1.808,82 37.907,83 11.192,84 76.431,85 14.199,86 0.721,87 1.728,88 31.726,89 10.889,90 66.231,91 13.408,92 0.789,93 1.742,94 32.957,95 10.805,96 73.672,97 13.657,98 0.595,99 1.703,100 30.904,101 11.697,102 47.529,103 15.387,104 21,105 58,106 0.271,107 0.628,108 0.786,109 0.864,110 0.874,111 0.89,112 3.668,113 0.856,114 -3.21,115 -3.21,116 -3.08,118 43.5,123 2,124 1,138 8,139 2,140 5,141 3,142 1,143 1,147 2,154 1,156 1,167 6,170 1,171 5,173 3,174 1,175 4,178 6,181 2,182 7,184 3,186 5,188 4,191 1,192 7,197 6,203 1,204 11,206 4,208 5,215 9,218 1,220 3,223 3,227 3,228 3,231 2,232 1,233 1,235 8,239 3,240 3,243 2,247 10,252 5,255 1,256 1,257 1,260 6,264 2962,265 26.135,266 26.135,267 26.135,268 26.135,269 26.135,270 22.662,271 28.658,272 15.457,273 27.029,274 20.656,275 20.656,276 20.656,277 20.656,278 20.656,279 15.295,280 42.898,281 7.217,282 21.963,283 4.239,284 1.974,285 0.972,286 0.476,287 0.411,288 0.315,289 4.374,290 1,294 1,295 1265,296 3.808,299 95.776,300 488.73,303 167.168,307 2.342,308 34.447,311 0.75,312 0.67,313 0.83,314 0.5,316 0.83,317 1,318 0.65,319 82.833,320 581,321 4.574,322 3.578,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.383,331 3.315,332 6.316,333 3.958,334 3.02,335 4.064,336 0.86,337 9.642,338 2.822,339 4.174,340 3.171,341 6.11,342 3.759,343 2.789,344 3.804,345 0.86,346 8.966,347 2.692,348 3.898,349 2.857,350 5.806,351 3.508,352 2.532,353 3.446,354 0.657,355 7.833,356 2.484,357 3.828,358 2.8,359 5.439,360 3.465,361 2.516,362 3.174,363 0.247,364 7.176,365 2.372,366 3.684,367 2.723,368 5.367,369 3.286,370 2.357,371 3.069,373 7.012,374 2.152,375 3.482,376 2.333,377 5.191,378 3.009,379 2.085,380 2.85,382 6.259,383 1.924,384 3.401,385 2.23,386 4.882,387 2.969,388 2.001,389 2.647,391 5.588,392 1.913,393 3.047,394 2.185,395 4.548,396 2.607,397 1.679,398 2.237,400 4.661,401 1.524,402 2.924,403 1.803,404 4.359,405 2.431,406 1.498,407 2.096,409 4.074,410 1.398,411 2.917,412 1.599,413 3.788,414 2.42,415 1.455,416 2.085,417 3.187,418 1.394,419 2.66,420 1.531,421 3.655,422 2.153,423 1.181,424 1.733,425 2.69,426 1.146,427 2.5,428 1.201,429 3.587,430 1.984,431 1,432 1.5,433 2.382,434 0.983,435 2.5,436 1.04,437 3.468,438 1.952,439 1,440 1.5,441 2.229,442 0.949,443 2.234,444 1.006,445 3.429,446 1.824,447 1,448 1.147,449 2.2,450 0.816,451 18.014,452 0.474,453 0.81,454 0.021,455 56.25,456 1.48,457 30,458 0.789,459 26.25,460 0.691,461 29.006,462 0.763,463 39.586,464 0.638,465 46.94,466 1.235,467 11.507,468 0.303,469 7.027,470 0.185,471 0.114,473 0.328,478 0.873,479 1.407,480 0.62,481 1.02,482 0.66,483 0.868,484 1.055,485 1.028,486 0.744,487 0.804,488 0.721,489 0.796,490 0.957,491 1.078,492 0.946,493 1.041,494 0.989,495 1.015,496 0.951,497 1.334,498 0.943,499 1.148,500 0.896,501 1.09,502 1.054,503 0.915,504 1.145,505 0.959,506 1.3,507 0.96,508 1.146,509 1.063,510 0.862,511 0.943,512 1.178,513 0.939,514 0.957,515 0.894,516 1.164,517 0.978,518 1.227,519 1.024,520 0.741,521 0.854,522 0.773,523 0.902,524 0.812,525 0.948,526 7.5,527 0.213,528 3.778,529 2.188,530 2.262,531 1.292,532 0.768,533 0.517,534 0.415,535 0.289,536 24627,537 75185,538 2.113,539 38.7,541 16,542 2,543 3,544 3,549 1.787,550 2,551 3.858,552 0.817,558 106.333,559 1.715,560 3.98,561 4.982,562 5.478,563 5.543,564 5.64,565 3.367,566 4.985,567 5.219,568 4.051,569 2847.98,570 9.19,571 48706.5,576 369.16,577 1.324,578 5.189,579 0.179,580 0.005,581 0.065,582 0.036,583 0.04,584 0.023,585 0.014,586 0.01,587 0.008,588 0.007,589 0.387,590 0.33,591 0.75,592 0.704,593 213.227,594 -0.095,595 -0.247,596 0.029,597 -0.091,598 -0.08,599 -0.012,600 -0.04,601 0.075,602 0.031,603 0.123,604 0.024,605 0.083,606 0.005,607 -0.009,608 -0.056,609 -0.088,610 -0.069,611 -0.102,612 -0.017,613 -0.306,614 -0.027,615 -0.191,617 -0.141,618 0.014,619 0.099,620 -0.087,621 -0.001,622 -0.018,623 -0.004,624 -0.087,625 -0.065,626 0.031,627 0.019,628 0.013,629 0.018,630 -0.012,631 0.138,632 -0.184,633 -0.012,634 -0.042,635 -0.069,636 0.052,637 0.122,638 0.077,639 0.084,640 0.031,641 0.069,642 2.126,643 5.783,644 0.711,645 47.731,646 1.016,647 1.126,648 1.985,649 3.94,650 0.695,651 3.761,652 4.078,653 4.357,654 4.625,655 4.844,656 4.927,657 5.05,658 5.176,659 5.263,660 5.394,661 8.78,662 0.675,663 530.03,664 3.761,665 5.303,666 6.155,667 7.031,668 7.898,669 8.778,670 9.652,671 10.535,672 11.412,673 12.297,674 11.3,679 1,681 2,682 1,684 3,689 1,690 13,691 3,695 9,697 28,709 1,714 2,715 1,716 62,718 29,719 2,720 42,722 66,723 27,724 23,725 6,726 6,728 5,729 6,730 1,731 1,740 24,741 3,744 1,749 1,753 1,760 24,761 9,762 3,763 11,764 1,766 1,769 7,775 0.8,776 3,784 1,787 1,793 1,794 4,797 1,819 4,823 2,824 1,827 38,833 1,834 3,835 2,849 1,850 4.8,853 1,855 2,858 19,859 11.776,860 8.472,861 3.312,863 5.112,864 1.598,865 1.007,866 7.934,867 13.661,868 4.06,869 4.689,870 5.293,871 5.897,872 6.432,873 6.716,874 7.135,875 7.561,876 7.878,877 8.294,878 1,879 60,880 13.949,881 5.869,882 7.775,883 26.22,884 20.896,885 2.275,886 86.444,890 247.193,891 181.867,892 105.675,893 39.149,894 47.145,897 181.867,898 333.486,899 105.675,900 21.766,901 38.127,902 93.905,903 130.541,904 79.057,905 30.146,906 188.338,907 39.149,908 247.193,909 287.542,910 47.145,911 39.149,913 247.193,914 47.145,917 71.028,918 148.147,919 107.516,921 247.193,922 152.82,923 221.015,926 247.193,927 39.054,928 144.1,929 54.032,930 136.65,931 247.193,932 152.82,933 221.015,935 0.574,936 0.342,937 0.19,938 0.102,939 27,940 12,941 0.121,942 8,943 1,944 1.074,945 4.851,946 369.61,947 0.074,948 27,949 195.421,954 25.791,955 11.689,956 6.02,957 0.712,958 151.534,959 23.438,960 13.296,964 5.434,966 54.032,967 621.029,968 57,973 12.783,977 -0.459,980 62.971,981 69.797,983 0.288,984 0.669,985 0.837,986 0.92,987 0.931,988 0.947,989 5.283,990 2.001,991 6.129,992 6.259,993 4.762,994 5.378,995 2.264,996 6.927,997 4.646,998 6.496,999 1.679,1000 7.676,1001 5.588,1002 4.29,1003 5.165,1004 1.195,1005 7.774,1006 4.113,1007 7.804,1008 1.498,1009 9.321,1010 4.661,1011 6.344,1012 7.612,1013 2.621,1014 10.867,1015 6.126,1016 9.149,1017 1.455,1018 11.022,1019 4.074,1020 6.698,1021 8.232,1022 2.324,1023 12.53,1024 6.409,1025 10.523,1026 1.181,1027 12.76,1028 3.187,1029 8.193,1030 10.134,1031 3.311,1032 15.124,1033 7.871,1034 11.92,1035 1,1036 14.523,1037 2.69,1038 8.934,1039 11.163,1040 3.407,1041 17.138,1042 8.537,1043 13.334,1044 1,1045 16.304,1046 2.382,1047 10.199,1048 12.829,1049 4.175,1050 19.553,1051 9.765,1052 3.133,1053 1,1054 18.098,1055 2.229,1056 11.131,1057 14.074,1058 4.464,1059 21.728,1060 10.622,1061 3.02,1062 10.48,1063 19.903,1064 2.2,1065 12.299,1066 15.634,1067 5.117,1068 24.079,1069 11.747,1070 2.789,1071 9.642,1072 21.716,1073 4.516,1074 13.324,1075 16.993,1076 5.504,1077 26.33,1078 12.7,1079 2.532,1080 8.966,1081 23.537,1082 4.064,1083 14.454,1084 18.506,1085 6.092,1086 28.658,1087 13.781,1088 2.516,1089 7.833,1090 25.363,1091 3.804,1092 15.525,1093 19.927,1094 6.531,1095 30.946,1096 14.783,1097 2.357,1098 7.176,1099 27.194,1100 3.446,1101 16.644,1102 21.422,1103 7.084,1104 33.27,1105 15.847,1106 2.085,1107 7.012,1108 29.03,1109 3.174,1110 17.738,1111 22.875,1112 7.551,1113 35.577,1114 16.875,1115 23110,1116 40565,1117 28.433,1118 43.114,1119 62.467,1120 64.137,1121 63.966,1122 62.063,1123 62.014,1124 84.018,1125 8.561,1126 176.458,1127 58.168,1128 5.451,1129 5.578,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 17.285,1138 1.487,1139 1.527,1140 1.523,1141 1.478,1142 1.477,1143 2,1144 0.204,1145 4.201,1146 1.385,1147 4.129,1148 4.18,1149 4.104,1150 3.975,1151 7.431,1152 3.998,1153 3.945,1154 3.966,1155 4.024,1156 3.843,1157 5.117,1158 3.852,1159 3.878,1160 3.919,1161 3.827,1162 3.787,1163 5.014,1164 3.791,1165 3.859,1166 3.891,1167 3.806,1168 3.75,1169 4.896,1170 3.76,1171 3.453,1172 3.495,1173 3.49,1174 3.193,1175 4.745,1176 3.235,1177 3.347,1178 3.427,1179 3.323,1180 3.114,1181 4.636,1182 3.144,1183 3.291,1184 3.345,1185 3.252,1186 3.029,1187 4.493,1188 3.043,1189 3.203,1190 3.272,1191 3.108,1192 2.986,1193 4.438,1194 3.004,1195 0.109,1196 0.085,1197 0.156,1198 0.097,1199 0.075,1200 4.574,1201 0.108,1202 3.578,1203 0.039,1204 6.573,1205 0.25,1206 4.073,1207 0.07,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.87,1220 1.858,1221 1.978,1222 2.001,1223 1.09,1224 1.99,1225 1.854,1226 1.817,1227 1.923,1228 1.973,1229 1.06,1230 1.969,1231 1.737,1232 1.691,1233 1.818,1234 1.899,1235 0.907,1236 1.886,1237 1.401,1238 1.341,1239 1.588,1240 1.614,1241 0.585,1242 1.603,1243 1.291,1244 1.247,1245 1.56,1246 1.606,1247 0.579,1248 1.581,1249 1.208,1250 1.143,1251 1.547,1252 1.541,1253 0.562,1254 1.539,1255 1.158,1256 1.076,1257 1.414,1258 1.429,1259 0.457,1260 1.445,1261 4.443,1263 5.759,1264 2.398,1265 7.269,1266 4.595,1267 8.869,1268 6.605,1269 10.518,1271 3.006,1272 6.22,1277 0.572,1278 8.975,1279 10.56,1289 41.863,1290 106.333,1291 246.79,1292 308.896,1293 339.65,1294 343.65,1295 349.65,1296 61.038,1297 8.549,1298 114.7,1299 114.7,1300 29,1301 12.831,1302 4.907,1303 4,1304 59.192,1305 201,1306 198,1307 0.14,1308 259.695,1309 440.98,1310 625.415,1311 76364,1312 1.6,1313 26.485,1314 0.697,1315 0.562,1316 26.985,1317 21.36,1318 18.534,1319 0.441,1320 0.285,1321 11.408,1322 17.379,1323 11.105,1324 9.246,1325 18.822,1326 11.98,1327 16.342,1328 0.282,1329 0.148,1330 16.713,1331 8.596,1332 13.936,1333 0.181,1334 0.078,1335 14.289,1336 6.017,1337 11.861,1338 0.117,1339 0.041,1340 12.198,1341 4.115,1342 9.387,1343 0.074,1344 0.021,1345 9.619,1346 2.637,1347 0.225,1348 120.393,1349 0.188,1350 34.799,1351 0.371,1352 200,1353 638.989,1354 237.173,1355 643.876,1356 875.76,1357 604,1358 235,1359 626.703,1360 269.876,1361 645.892,1362 940.19,1363 604,1364 6.396}
{0 CHEMBL1081024,1 1.709,2 13.886,3 4.731,4 22.383,5 136.139,6 9.341,7 0.718,8 4.121,9 4.232,10 3.879,11 3.716,12 5.325,13 3.716,14 4.59,15 4.729,16 4.262,17 4.099,18 5.811,19 4.076,20 4.827,21 5.005,22 4.415,23 4.217,24 6.004,25 4.159,26 4.837,27 5.037,28 4.239,29 4.127,30 5.98,31 4.071,32 4.812,33 5.016,34 4.195,35 4.074,36 6.025,37 4.039,38 4.76,39 4.945,40 4.209,41 4.112,42 5.965,43 4.072,44 4.794,45 4.993,46 4.186,47 4.161,48 5.934,49 4.1,50 4.788,51 4.986,52 4.157,53 4.163,54 5.893,55 4.075,56 0.105,57 0.842,58 6.698,59 3.901,60 8.42,61 4.389,62 0.33,63 1.317,64 12.779,65 6.481,66 22.283,67 7.554,68 0.532,69 1.549,70 27.033,71 9.268,72 46.025,73 10.814,74 0.453,75 1.528,76 28.391,77 9.6,78 42.377,79 11.514,80 0.68,81 1.502,82 28.049,83 8.692,84 66.219,85 9.682,86 0.487,87 1.452,88 22.047,89 8.547,90 50.895,91 10.017,92 0.485,93 1.512,94 22.983,95 9.117,96 46.674,97 11.125,98 0.471,99 1.461,100 23.991,101 9.56,102 37.4,103 11.847,104 10,105 54,106 0.276,107 0.606,108 0.776,109 0.882,110 0.9,111 0.9,112 3.588,113 0.878,114 -4.49,115 -4.41,116 -4.16,118 46.3,124 1,138 9,139 2,140 4,141 3,142 1,143 1,147 2,154 1,156 1,167 8,170 1,171 3,173 3,174 1,175 4,178 7,181 2,182 4,184 2,186 6,188 6,192 7,197 7,199 2,204 11,206 2,208 6,215 10,218 1,220 4,223 3,227 2,228 1,231 1,232 1,233 1,235 10,239 3,240 1,243 2,247 14,252 2,255 1,256 1,257 1,260 9,264 2417,265 23.947,266 23.947,267 23.947,268 23.947,269 23.947,270 20.394,271 21.935,272 14.248,273 24.593,274 19.287,275 19.287,276 19.287,277 19.287,278 19.287,279 14.028,280 32.295,281 6.811,282 20.487,283 4.046,284 2.002,285 0.95,286 0.296,287 0.185,288 0.185,289 4.297,290 2,294 1,295 1066,296 3.464,299 85.435,300 440.05,303 149.42,307 2.238,308 30.322,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 75.167,320 486,321 4.574,322 3.588,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.33,331 3.359,332 6.348,333 3.876,334 2.968,335 3.986,336 0.657,337 9.469,338 2.71,339 4.172,340 3.171,341 6.11,342 3.753,343 2.786,344 3.804,345 0.247,346 8.965,347 2.638,348 3.898,349 2.805,350 5.467,351 3.507,352 2.522,353 3.446,355 7.272,356 2.484,357 3.774,358 2.724,359 5.367,360 3.412,361 2.456,362 3.132,364 7.012,365 2.325,366 3.505,367 2.406,368 5.191,369 3.059,370 2.115,371 2.859,373 6.26,374 1.979,375 3.457,376 2.321,377 5.113,378 3.004,379 2.077,380 2.763,382 6.055,383 1.918,384 3.172,385 2.185,386 4.668,387 2.7,388 1.759,389 2.389,391 4.874,392 1.581,393 2.924,394 1.824,395 4.359,396 2.431,397 1.498,398 2.098,400 4.059,401 1.395,402 2.917,403 1.599,404 3.867,405 2.416,406 1.448,407 2.086,409 3.187,410 1.393,411 2.866,412 1.531,413 3.785,414 2.358,415 1.414,416 2.027,417 3.179,418 1.282,419 2.659,420 1.201,421 3.59,422 2.152,423 1.178,424 1.733,425 2.68,426 1.145,427 2.5,428 1.176,429 3.471,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1.006,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 17.062,452 0.487,453 0.78,454 0.022,455 53,456 1.514,457 29,458 0.829,459 24,460 0.686,461 25.654,462 0.733,463 35.138,464 0.651,465 41.404,466 1.183,467 10.61,468 0.303,469 6.454,470 0.184,471 0.103,473 0.316,478 0.793,479 1.313,480 0.541,481 0.839,482 0.611,483 0.766,484 0.708,485 1.125,486 0.671,487 0.879,488 0.598,489 0.897,490 0.914,491 1.038,492 0.825,493 0.964,494 0.937,495 0.997,496 1.078,497 1.275,498 1,499 1.13,500 0.938,501 1.063,502 1.315,503 0.891,504 0.939,505 0.863,506 1.4,507 0.882,508 0.938,509 1.081,510 0.733,511 0.98,512 1.045,513 0.968,514 0.854,515 0.888,516 0.743,517 0.843,518 0.834,519 0.919,520 0.773,521 0.867,522 0.9,523 0.985,524 0.811,525 1.067,526 6.5,527 0.168,528 3.556,529 2,530 1.831,531 0.944,532 0.687,533 0.462,534 0.366,535 0.247,536 19950,537 64212,538 2.141,539 35.2,541 11,542 2,543 3,544 3,549 1.767,550 2.039,551 3.745,552 0.848,558 92.305,559 1.709,560 3.753,561 4.805,562 5.459,563 5.57,564 5.57,565 3.223,566 4.901,567 5.1,568 3.946,569 2347.74,570 8.953,571 37612.1,576 310.764,577 1.271,578 5.076,579 0.167,580 0.005,581 0.066,582 0.037,583 0.037,584 0.02,585 0.014,586 0.009,587 0.008,588 0.006,589 0.369,590 0.17,591 0.75,592 0.45,593 191.11,594 -0.108,595 -0.188,596 0.006,597 -0.023,598 -0.087,599 0.015,600 0.09,601 -0.016,602 -0.015,603 -0.033,604 0.047,605 -0.076,606 0.042,607 -0.014,608 0.077,609 -0.025,610 -0.031,611 -0.069,612 -0.099,613 -0.277,614 -0.054,615 -0.168,616 -0.01,617 -0.09,618 -0.134,619 0.147,620 -0.065,621 0.067,622 -0.055,623 0.051,624 0.005,625 -0.063,626 0.003,627 -0.059,628 0.04,629 -0.034,630 -0.012,631 0.127,633 0.092,634 0.017,635 0.043,636 0.039,637 0.114,638 -0.057,639 -0.017,640 -0.04,641 -0.076,642 2.107,643 5.541,644 0.771,645 42.291,646 1.016,647 1.12,648 3.257,649 10.605,650 0.732,651 3.689,652 4.007,653 4.277,654 4.533,655 4.736,656 4.804,657 4.963,658 5.112,659 5.215,660 5.333,661 8.207,662 0.708,663 504.41,664 3.689,665 5.231,666 6.08,667 6.952,668 7.814,669 8.691,670 9.559,671 10.439,672 11.312,673 12.195,674 13,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,715 2,716 54,718 29,719 2,720 39,722 58,723 25,724 23,725 5,726 7,728 5,729 6,730 2,731 1,740 24,741 1,744 1,749 1,753 1,760 19,761 7,762 3,763 10,764 2,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 2,827 35,833 1,834 3,849 2,850 1.9,853 1,858 17.167,859 9.669,860 7.639,861 2.987,863 5.03,864 1.603,865 1.035,866 6.928,867 13.377,868 4.007,869 4.642,870 5.238,871 5.838,872 6.36,873 6.631,874 7.078,875 7.534,876 7.862,877 8.272,878 1,879 54,880 12.842,881 5.482,882 7.783,883 24.163,884 19.599,885 2.283,886 79.889,890 188.338,891 162.591,892 105.675,893 78.297,894 25.145,897 162.591,898 291.78,899 105.675,901 38.127,902 103.381,903 130.541,904 50.071,905 30.146,906 129.482,907 78.297,908 188.338,909 268.266,910 25.145,911 78.297,913 188.338,914 25.145,917 71.028,918 128.871,919 146.665,921 188.338,922 130.82,923 240.888,926 188.338,927 32.067,928 131.81,929 54.032,930 153.799,931 188.338,932 130.82,933 240.888,935 0.58,936 0.338,937 0.182,938 0.096,939 26,940 11,941 0.103,942 6,943 1,944 1.074,945 4.664,946 331.161,947 0.074,948 27,949 173.525,954 23.27,955 10.42,956 5.445,957 0.717,958 129.534,959 25.315,960 13.262,964 4.927,966 54.032,967 560.046,968 54,973 12.541,977 -0.441,980 54.873,981 60.492,983 0.297,984 0.652,985 0.835,986 0.949,987 0.968,988 0.968,989 5.226,990 1.759,991 6.052,992 6.055,993 4.691,994 5.33,995 1.897,996 6.841,997 4.572,998 6.44,999 1.498,1000 7.594,1001 4.874,1002 4.205,1003 5.085,1004 1.195,1005 7.667,1006 3.988,1007 7.745,1008 1.448,1009 9.235,1010 4.059,1011 6.263,1012 7.561,1013 2.448,1014 10.771,1015 6.034,1016 9.086,1017 1.414,1018 10.935,1019 3.187,1020 6.608,1021 8.159,1022 2.324,1023 12.432,1024 6.269,1025 10.458,1026 1.178,1027 12.673,1028 3.179,1029 8.109,1030 10.082,1031 3.25,1032 15.035,1033 7.76,1034 11.852,1035 1,1036 14.438,1037 2.68,1038 8.846,1039 11.1,1040 3.407,1041 17.051,1042 8.39,1043 13.264,1044 1,1045 16.222,1046 2.381,1047 10.115,1048 12.779,1049 4.157,1050 19.474,1051 9.635,1052 3.133,1053 0.879,1054 18.02,1055 2.2,1056 11.043,1057 14.018,1058 4.464,1059 21.652,1060 10.467,1061 2.968,1062 10.48,1063 19.83,1064 2.136,1065 12.214,1066 15.585,1067 5.112,1068 24.008,1069 11.599,1070 2.786,1071 9.469,1072 21.649,1073 4.516,1074 13.236,1075 16.942,1076 5.504,1077 26.261,1078 12.535,1079 2.522,1080 8.965,1081 23.475,1082 3.986,1083 14.368,1084 18.459,1085 6.091,1086 28.593,1087 13.617,1088 2.456,1089 7.272,1090 25.307,1091 3.804,1092 15.437,1093 19.88,1094 6.531,1095 30.883,1096 14.609,1097 2.115,1098 7.012,1099 27.144,1100 3.446,1101 16.554,1102 21.377,1103 7.083,1104 33.209,1105 15.671,1106 2.077,1107 6.26,1108 28.986,1109 3.132,1110 17.647,1111 22.831,1112 7.551,1113 35.518,1114 16.692,1115 18543,1116 33491,1117 26.641,1118 39.54,1119 58.442,1120 60.019,1121 59.159,1122 58.139,1123 58.042,1124 79.874,1125 5.121,1126 164.252,1127 54.353,1128 5.446,1129 5.588,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 14.07,1138 1.499,1139 1.539,1140 1.517,1141 1.491,1142 1.488,1143 2.048,1144 0.131,1145 4.212,1146 1.394,1147 4.128,1148 4.18,1149 4.131,1150 3.975,1151 7.431,1152 3.997,1153 3.929,1154 3.958,1155 4.089,1156 3.857,1157 5.117,1158 3.852,1159 3.877,1160 3.919,1161 3.827,1162 3.787,1163 5.039,1164 3.791,1165 3.856,1166 3.887,1167 3.806,1168 3.75,1169 4.896,1170 3.761,1171 3.436,1172 3.481,1173 3.478,1174 3.189,1175 4.745,1176 3.227,1177 3.343,1178 3.423,1179 3.363,1180 3.105,1181 4.493,1182 3.136,1183 3.191,1184 3.253,1185 3.268,1186 3.017,1187 4.438,1188 3.029,1189 2.919,1190 2.987,1191 3.205,1192 2.838,1193 4.3,1194 2.806,1195 0.117,1196 0.092,1197 0.169,1198 0.104,1199 0.08,1200 4.574,1201 0.116,1202 3.588,1203 0.042,1204 6.573,1205 0.269,1206 4.073,1207 0.076,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.875,1220 1.856,1221 1.978,1222 1.989,1223 1.09,1224 1.988,1225 1.854,1226 1.817,1227 1.932,1228 1.96,1229 1.055,1230 1.961,1231 1.737,1232 1.691,1233 1.819,1234 1.893,1235 0.907,1236 1.885,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.27,1244 1.225,1245 1.419,1246 1.569,1247 0.458,1248 1.525,1249 1.155,1250 1.072,1251 1.388,1252 1.423,1253 0.346,1254 1.423,1255 0.961,1256 0.915,1257 1.181,1258 1.129,1259 0.247,1260 1.125,1261 4.369,1263 5.687,1264 2.398,1265 7.195,1266 4.595,1267 8.791,1268 6.605,1269 10.433,1272 12.189,1277 0.579,1278 8.891,1289 38.207,1290 92.305,1291 202.667,1292 259.48,1293 294.764,1294 300.764,1295 300.764,1296 53.806,1297 8.346,1298 96.24,1299 96.24,1300 29,1301 12.731,1302 4.907,1303 4,1304 52.252,1305 171,1306 168,1307 0.144,1308 240.85,1309 404.01,1310 579.435,1311 59117,1312 3.7,1313 24.2,1314 0.691,1315 0.564,1316 25.2,1317 19.755,1318 17.064,1319 0.438,1320 0.293,1321 10.575,1322 15.954,1323 10.327,1324 8.543,1325 17.641,1326 11.412,1327 15.324,1328 0.284,1329 0.155,1330 16.029,1331 8.388,1332 13.011,1333 0.183,1334 0.085,1335 14.022,1336 6.018,1337 10.852,1338 0.118,1339 0.042,1340 11.325,1341 3.865,1342 8.557,1343 0.076,1344 0.022,1345 8.937,1346 2.476,1347 0.231,1348 112.518,1349 0.194,1350 32.538,1351 0.385,1352 186,1353 561.721,1354 232.935,1355 613.345,1356 826.43,1357 572,1358 218,1359 572.475,1360 263.988,1361 601.35,1362 878.6,1363 566,1364 5.244}
{0 CHEMBL1081025,1 1.709,2 14.457,3 4.731,4 22.383,5 136.139,6 9.341,7 0.718,8 4.121,9 4.232,10 3.879,11 3.716,12 5.324,13 3.716,14 4.59,15 4.729,16 4.262,17 4.099,18 5.817,19 4.076,20 4.826,21 5.005,22 4.311,23 4.206,24 5.979,25 4.149,26 4.837,27 5.037,28 4.31,29 4.135,30 5.99,31 4.075,32 4.807,33 5.017,34 4.195,35 4.057,36 6.021,37 4.028,38 4.759,39 4.945,40 4.146,41 4.116,42 5.903,43 4.069,44 4.795,45 4.993,46 4.246,47 4.157,48 5.99,49 4.103,50 4.788,51 4.986,52 4.115,53 4.154,54 5.883,55 4.065,56 0.105,57 0.842,58 6.698,59 3.901,60 8.42,61 4.389,62 0.33,63 1.317,64 12.779,65 6.481,66 22.295,67 7.554,68 0.501,69 1.546,70 24.841,71 9.244,72 43.92,73 10.81,74 0.472,75 1.535,76 31.033,77 9.662,78 44.71,79 11.494,80 0.676,81 1.509,82 26.242,83 8.559,84 64.561,85 9.751,86 0.424,87 1.455,88 22.007,89 8.584,90 43.862,91 9.976,92 0.549,93 1.509,94 23.023,95 9.081,96 53.684,97 11.167,98 0.481,99 1.463,100 24.689,101 9.573,102 38.361,103 11.838,104 10,105 54,106 0.276,107 0.606,108 0.782,109 0.888,110 0.9,111 0.9,112 3.588,113 0.877,114 -4.49,115 -4.41,116 -4.16,118 46.3,124 1,138 9,139 2,140 4,141 3,142 1,143 1,147 2,154 1,156 1,167 7,170 1,171 3,173 3,174 1,175 4,178 9,181 2,182 4,184 2,186 7,188 5,192 7,197 5,199 2,204 12,206 2,208 8,215 8,218 1,220 2,223 3,227 2,228 2,231 1,232 1,233 2,235 12,239 3,240 1,243 2,247 12,252 2,255 1,256 1,257 1,260 8,264 2438,265 23.894,266 23.894,267 23.894,268 23.894,269 23.894,270 20.369,271 22.97,272 14.239,273 24.58,274 19.313,275 19.313,276 19.313,277 19.313,278 19.313,279 14.056,280 33.291,281 6.843,282 20.529,283 4.046,284 2.002,285 0.913,286 0.259,287 0.185,288 0.185,289 4.297,290 2,294 1,295 1112,296 3.464,299 85.86,300 441.846,303 150.198,307 2.242,308 30.085,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 75.167,320 506,321 4.574,322 3.576,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.251,331 3.194,332 6.113,333 3.82,334 2.889,335 3.89,336 0.657,337 8.976,338 2.707,339 4.169,340 3.17,341 6.084,342 3.743,343 2.779,344 3.803,345 0.247,346 8.822,347 2.621,348 3.898,349 2.806,350 5.443,351 3.506,352 2.521,353 3.446,355 7.218,356 2.484,357 3.77,358 2.727,359 5.367,360 3.401,361 2.445,362 3.132,364 7.012,365 2.319,366 3.528,367 2.711,368 5.191,369 3.075,370 2.156,371 2.873,373 6.259,374 1.98,375 3.47,376 2.331,377 5.006,378 3.005,379 2.082,380 2.825,382 5.99,383 1.918,384 3.324,385 2.185,386 4.757,387 2.837,388 1.91,389 2.564,391 5.203,392 1.668,393 2.933,394 1.887,395 4.379,396 2.433,397 1.498,398 2.115,400 4.123,401 1.403,402 2.919,403 1.599,404 4.086,405 2.43,406 1.482,407 2.089,409 3.561,410 1.394,411 2.812,412 1.531,413 3.784,414 2.315,415 1.377,416 1.931,417 3.186,418 1.222,419 2.659,420 1.201,421 3.59,422 2.152,423 1.177,424 1.732,425 2.679,426 1.145,427 2.5,428 1.006,429 3.471,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 17.062,452 0.487,453 0.797,454 0.023,455 53,456 1.514,457 29,458 0.829,459 24,460 0.686,461 25.481,462 0.728,463 35.138,464 0.651,465 41.368,466 1.182,467 10.595,468 0.303,469 6.452,470 0.184,471 0.103,473 0.316,478 0.793,479 1.313,480 0.541,481 0.839,482 0.613,483 0.766,484 0.708,485 1.125,486 0.671,487 0.879,488 0.577,489 0.897,490 1.011,491 1.04,492 0.998,493 1.032,494 1.017,495 1.046,496 1.047,497 1.27,498 0.894,499 1.082,500 0.913,501 1.044,502 1.165,503 0.899,504 0.751,505 0.824,506 1.282,507 0.846,508 1.113,509 1.07,510 0.824,511 0.955,512 1.242,513 0.981,514 0.686,515 0.898,516 0.656,517 0.867,518 0.66,519 0.907,520 0.791,521 0.874,522 0.956,523 1.035,524 0.849,525 1.112,526 7,527 0.155,528 3.333,529 1.875,530 1.911,531 0.889,532 0.768,533 0.424,534 0.391,535 0.26,536 20078,537 65092,538 2.141,539 35.2,541 11,542 2,543 3,544 3,549 1.767,550 2.039,551 3.785,552 0.848,558 92.305,559 1.709,560 3.753,561 4.842,562 5.496,563 5.57,564 5.57,565 3.258,566 4.901,567 5.098,568 3.966,569 2359.56,570 8.951,571 37853.4,576 310.764,577 1.271,578 5.076,579 0.179,580 0.005,581 0.062,582 0.035,583 0.039,584 0.019,585 0.016,586 0.008,587 0.009,588 0.007,589 0.378,590 0.17,591 0.75,592 0.45,593 191.32,594 -0.108,595 -0.188,596 0.006,597 -0.023,598 -0.089,599 0.015,600 0.09,601 -0.016,602 -0.015,603 -0.033,604 0.068,605 -0.076,606 -0.057,607 -0.015,608 -0.099,609 -0.094,610 -0.112,611 -0.119,612 -0.067,613 -0.272,614 0.054,615 -0.119,616 0.015,617 -0.07,618 -0.037,619 0.142,620 0.033,621 0.095,622 0.028,623 0.092,624 -0.173,625 -0.052,626 -0.089,627 -0.033,628 -0.161,629 -0.048,630 0.159,631 0.117,632 0.089,633 0.067,634 0.195,635 0.056,636 0.021,637 0.106,638 -0.114,639 -0.068,640 -0.08,641 -0.122,642 2.093,643 5.525,644 0.771,645 42.942,646 1.016,647 1.12,648 3.257,649 10.605,650 0.732,651 3.689,652 4.007,653 4.263,654 4.533,655 4.745,656 4.804,657 4.97,658 5.1,659 5.22,660 5.328,661 8.273,662 0.708,663 504.41,664 3.689,665 5.231,666 6.075,667 6.948,668 7.807,669 8.683,670 9.55,671 10.429,672 11.301,673 12.182,674 13,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,715 2,716 54,718 29,719 2,720 39,722 58,723 25,724 23,725 5,726 7,728 5,729 6,730 2,731 1,740 24,741 1,744 1,749 1,753 1,760 19,761 7,762 3,763 10,764 2,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 2,827 35,833 1,834 3,849 2,850 1.9,853 1,858 17.167,859 9.669,860 7.611,861 2.98,863 5.022,864 1.602,865 1.035,866 6.928,867 13.369,868 4.007,869 4.642,870 5.23,871 5.838,872 6.368,873 6.631,874 7.083,875 7.526,876 7.864,877 8.271,878 0.9,879 53,880 12.837,881 5.474,882 7.783,883 24.163,884 19.594,885 2.283,886 79.889,890 188.338,891 162.591,892 105.675,893 78.297,894 25.145,897 162.591,898 291.78,899 105.675,901 38.127,902 103.381,903 130.541,904 50.071,905 30.146,906 129.482,907 78.297,908 188.338,909 268.266,910 25.145,911 78.297,913 188.338,914 25.145,917 71.028,918 128.871,919 146.665,921 188.338,922 130.82,923 240.888,926 188.338,927 32.067,928 131.81,929 54.032,930 153.799,931 188.338,932 130.82,933 240.888,935 0.579,936 0.332,937 0.182,938 0.098,939 26,940 11,941 0.103,942 6,943 1,944 1.074,945 4.679,946 330.22,947 0.074,948 27,949 175.525,954 23.27,955 10.42,956 5.61,957 0.719,958 129.534,959 25.16,960 13.264,964 5.183,966 54.032,967 560.046,968 54,973 12.525,977 -0.427,980 54.873,981 60.492,983 0.297,984 0.652,985 0.841,986 0.955,987 0.968,988 0.968,989 5.226,990 1.91,991 6.047,992 5.99,993 4.691,994 5.33,995 1.897,996 6.828,997 4.572,998 6.44,999 1.498,1000 7.582,1001 5.203,1002 4.205,1003 5.085,1004 1.195,1005 7.627,1006 3.988,1007 7.743,1008 1.482,1009 9.213,1010 4.123,1011 6.256,1012 7.557,1013 2.448,1014 10.722,1015 6.033,1016 9.081,1017 1.377,1018 10.901,1019 3.561,1020 6.581,1021 8.14,1022 2.324,1023 12.356,1024 6.263,1025 10.448,1026 1.177,1027 12.626,1028 3.186,1029 8.084,1030 10.066,1031 3.25,1032 14.95,1033 7.755,1034 11.837,1035 1,1036 14.378,1037 2.679,1038 8.798,1039 11.068,1040 3.407,1041 16.95,1042 8.38,1043 13.244,1044 1,1045 16.149,1046 2.381,1047 10.068,1048 12.75,1049 4.157,1050 19.365,1051 9.626,1052 3.133,1053 0.879,1054 17.934,1055 2.2,1056 10.979,1057 13.98,1058 4.464,1059 21.537,1060 10.454,1061 2.889,1062 10.48,1063 19.732,1064 2.136,1065 12.148,1066 15.549,1067 5.112,1068 23.888,1069 11.587,1070 2.779,1071 8.976,1072 21.539,1073 4.516,1074 13.158,1075 16.901,1076 5.504,1077 26.14,1078 12.521,1079 2.521,1080 8.822,1081 23.355,1082 3.89,1083 14.287,1084 18.42,1085 6.091,1086 28.471,1087 13.604,1088 2.445,1089 7.218,1090 25.178,1091 3.803,1092 15.348,1093 19.838,1094 6.531,1095 30.764,1096 14.594,1097 2.156,1098 7.012,1099 27.006,1100 3.446,1101 16.462,1102 21.338,1103 7.083,1104 33.092,1105 15.657,1106 2.082,1107 6.259,1108 28.84,1109 3.132,1110 17.55,1111 22.792,1112 7.551,1113 35.405,1114 16.678,1115 18662,1116 33824,1117 26.641,1118 39.54,1119 58.639,1120 59.719,1121 58.993,1122 58.359,1123 58.154,1124 79.991,1125 5.121,1126 164.142,1127 54.421,1128 5.446,1129 5.576,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 14.188,1138 1.504,1139 1.531,1140 1.513,1141 1.496,1142 1.491,1143 2.051,1144 0.131,1145 4.209,1146 1.395,1147 4.128,1148 4.18,1149 4.114,1150 3.975,1151 7.431,1152 3.997,1153 3.929,1154 3.958,1155 4.077,1156 3.856,1157 5.116,1158 3.851,1159 3.877,1160 3.919,1161 3.827,1162 3.787,1163 5.019,1164 3.791,1165 3.856,1166 3.887,1167 3.806,1168 3.75,1169 4.896,1170 3.761,1171 3.437,1172 3.481,1173 3.601,1174 3.191,1175 4.745,1176 3.229,1177 3.343,1178 3.423,1179 3.406,1180 3.108,1181 4.632,1182 3.138,1183 3.191,1184 3.253,1185 3.26,1186 3.019,1187 4.438,1188 3.031,1189 2.93,1190 2.986,1191 3.111,1192 2.826,1193 4.185,1194 2.808,1195 0.117,1196 0.092,1197 0.169,1198 0.104,1199 0.08,1200 4.574,1201 0.116,1202 3.576,1203 0.042,1204 6.573,1205 0.269,1206 4.073,1207 0.076,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.875,1220 1.856,1221 1.978,1222 1.989,1223 1.09,1224 1.988,1225 1.854,1226 1.817,1227 1.926,1228 1.96,1229 1.055,1230 1.961,1231 1.737,1232 1.691,1233 1.818,1234 1.893,1235 0.907,1236 1.884,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.268,1244 1.225,1245 1.416,1246 1.565,1247 0.457,1248 1.521,1249 1.155,1250 1.072,1251 1.379,1252 1.423,1253 0.337,1254 1.423,1255 0.961,1256 0.915,1257 1.181,1258 1.124,1259 0.246,1260 1.123,1261 4.369,1263 5.687,1264 2.398,1265 7.191,1266 4.595,1267 8.781,1268 6.605,1269 10.418,1272 12.067,1277 0.58,1278 8.91,1289 38.207,1290 92.305,1291 202.667,1292 261.48,1293 296.764,1294 300.764,1295 300.764,1296 52.936,1297 8.346,1298 96.24,1299 96.24,1300 29,1301 12.719,1302 4.907,1303 4,1304 52.267,1305 172,1306 182,1307 0.144,1308 240.85,1309 404.01,1310 579.435,1311 59117,1312 3.7,1313 24.2,1314 0.691,1315 0.564,1316 25.2,1317 19.755,1318 17.047,1319 0.437,1320 0.292,1321 10.569,1322 15.888,1323 10.32,1324 8.532,1325 17.624,1326 11.406,1327 15.453,1328 0.286,1329 0.157,1330 16.232,1331 8.47,1332 12.745,1333 0.182,1334 0.082,1335 13.361,1336 5.727,1337 10.905,1338 0.119,1339 0.043,1340 11.586,1341 3.963,1342 8.664,1343 0.076,1344 0.022,1345 9.09,1346 2.516,1347 0.23,1348 112.417,1349 0.194,1350 32.584,1351 0.382,1352 186,1353 561.721,1354 232.935,1355 613.382,1356 825.75,1357 572,1358 217,1359 571.475,1360 255.276,1361 600.212,1362 874.25,1363 565,1364 5.721}
{0 CHEMBL1081054,1 1.728,2 11.367,3 3.617,4 13.086,5 115.342,6 8.631,7 0.667,8 4.02,9 4.136,10 3.708,11 3.542,12 5.217,13 3.553,14 4.496,15 4.653,16 4.075,17 3.908,18 5.7,19 3.902,20 4.672,21 4.845,22 4.123,23 4.022,24 5.842,25 3.991,26 4.716,27 4.901,28 4.106,29 3.989,30 5.887,31 3.963,32 4.759,33 4.961,34 4.049,35 3.982,36 5.967,37 3.938,38 4.728,39 4.941,40 4.008,41 3.961,42 5.899,43 3.89,44 4.661,45 4.881,46 3.803,47 3.875,48 5.786,49 3.789,50 4.525,51 4.747,52 3.761,53 3.772,54 5.586,55 3.692,56 0.103,57 0.768,58 7.76,59 3.742,60 7.694,61 4.458,62 0.398,63 1.166,64 15.687,65 6.186,66 26.483,67 7.557,68 0.468,69 1.331,70 21.706,71 7.767,72 36.957,73 9.512,74 0.409,75 1.364,76 22.412,77 7.74,78 34.136,79 9.675,80 0.71,81 1.373,82 25.345,83 7.901,84 58.5,85 9.811,86 0.496,87 1.287,88 25.239,89 8.93,90 52.211,91 11.58,92 0.553,93 1.172,94 27.401,95 8.466,96 60.41,97 10.79,98 0.401,99 1.052,100 20.268,101 7.423,102 32.357,103 9.733,104 21,105 46,106 0.288,107 0.66,108 0.816,109 0.897,110 0.903,111 0.903,112 3.44,113 0.862,114 -3.66,115 -3.63,116 -3.45,118 42.9,123 2,138 7,139 1,140 4,141 1,142 1,143 1,147 2,154 1,156 1,167 5,170 1,171 2,173 3,174 1,175 3,178 7,181 2,182 5,184 3,186 3,188 4,192 6,197 7,203 1,204 7,206 2,208 5,215 6,218 1,220 4,223 2,227 1,228 3,231 1,232 1,233 1,235 4,239 1,240 3,243 2,247 7,252 2,255 1,256 1,260 5,264 1458,265 20.497,266 20.497,267 20.497,268 20.497,269 20.497,270 17.776,271 22.193,272 11.996,273 21.195,274 16.195,275 16.195,276 16.195,277 16.195,278 16.195,279 11.948,280 32.301,281 5.546,282 17.251,283 3.887,284 1.656,285 0.718,286 0.235,287 0.194,288 0.194,289 4.136,290 1,293 1,294 1,295 738,296 3.391,299 73.239,300 282.384,303 126.008,307 1.876,308 26.415,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 65.333,320 341,321 4.573,322 3.574,323 6.57,324 4.07,325 3.129,326 4.515,327 1.656,328 10.461,329 2.954,330 4.276,331 3.161,332 6.186,333 3.87,334 2.921,335 3.911,336 0.86,337 9.228,338 2.761,339 4.169,340 3.126,341 6.109,342 3.749,343 2.779,344 3.803,345 0.4,346 8.958,347 2.68,348 3.765,349 2.784,350 5.445,351 3.403,352 2.44,353 3.129,354 0.247,355 7.229,356 2.339,357 3.509,358 2.731,359 5.208,360 3.043,361 2.14,362 2.858,364 6.225,365 1.978,366 3.47,367 2.332,368 4.955,369 3.006,370 2.091,371 2.811,373 5.812,374 1.916,375 3.389,376 2.206,377 4.866,378 2.941,379 2,380 2.639,382 5.556,383 1.732,384 2.944,385 1.879,386 4.403,387 2.475,388 1.517,389 2.132,391 4.206,392 1.451,393 2.823,394 1.531,395 4.2,396 2.359,397 1.382,398 1.933,400 3.725,401 1.343,402 2.658,403 1.204,404 3.703,405 2.151,406 1.176,407 1.73,409 2.66,410 1.145,411 2.5,412 1.134,413 3.47,414 1.952,415 1,416 1.5,417 2.364,418 0.949,419 2.215,420 1.007,421 3.427,422 1.783,423 0.857,424 1.118,425 2.031,426 0.792,427 1.85,428 1,429 3.057,430 1.529,431 0.666,432 0.761,433 1.191,434 0.555,435 1.524,436 0.626,437 2.818,438 1.183,439 0.265,440 0.327,441 0.446,442 0.243,443 1.2,444 0.408,445 2.777,446 0.925,451 14.281,452 0.476,453 0.691,454 0.023,455 44.25,456 1.475,457 23.5,458 0.783,459 20.75,460 0.692,461 21.015,462 0.701,463 31.319,464 0.639,465 34.3,466 1.143,467 9.04,468 0.301,469 5.527,470 0.184,471 0.143,473 0.343,478 0.867,479 1.422,480 0.609,481 0.983,482 0.651,483 0.851,484 0.905,485 1.022,486 0.69,487 0.789,488 0.622,489 0.783,490 1.018,491 1.019,492 0.991,493 0.985,494 1.031,495 0.972,496 1.116,497 1.347,498 0.902,499 1.118,500 0.947,501 1.049,502 1.122,503 0.93,504 0.987,505 0.928,506 1.373,507 0.992,508 0.834,509 1.063,510 0.813,511 1.076,512 1.084,513 1.05,514 1.127,515 0.833,516 1.222,517 1.002,518 1.463,519 1.031,520 0.833,521 0.887,522 0.785,523 0.911,524 0.84,525 0.957,526 6.5,527 0.147,528 3.111,529 1.938,530 1.88,531 1.056,532 0.577,533 0.309,534 0.308,535 0.222,536 12350,537 38399,538 2.087,539 38.8,541 13,542 2,543 1,544 3,549 1.727,550 1.957,551 3.484,552 0.933,554 1,558 84.662,559 1.728,560 3.959,561 4.897,562 5.38,563 5.421,564 5.421,565 2.864,566 4.774,567 4.883,568 3.706,569 1612.3,570 8.507,571 22917.3,573 1,575 1,576 275.121,577 1.4,578 4.839,579 0.197,580 0.006,581 0.068,582 0.041,583 0.042,584 0.026,585 0.015,586 0.009,587 0.01,588 0.008,589 0.422,590 0.33,591 1,592 0.812,593 155.22,594 -0.111,595 -0.249,596 0.02,597 -0.073,598 -0.101,599 -0.005,600 0.045,601 0.093,602 0.062,603 0.126,604 0.077,605 0.092,606 -0.046,607 0.047,608 -0.095,609 -0.04,610 -0.098,611 -0.061,612 -0.134,613 -0.302,614 -0.057,615 -0.19,616 -0.03,617 -0.132,618 -0.029,619 0.106,620 -0.113,621 -0.01,622 -0.054,623 -0.076,624 0.072,625 -0.111,626 0.082,627 -0.09,628 0.107,629 -0.045,630 -0.105,631 0.104,632 -0.156,633 0.003,634 -0.145,635 -0.022,636 0.046,637 0.063,638 0.085,639 0.075,640 0.009,641 0.057,642 2.082,643 5.491,644 0.7,645 28.773,646 1.016,647 1.128,648 2.427,649 5.892,650 0.697,651 3.526,652 3.85,653 4.127,654 4.407,655 4.605,656 4.673,657 4.745,658 4.844,659 4.875,660 4.97,661 7.178,662 0.675,663 422.91,664 3.526,665 5.069,666 5.922,667 6.804,668 7.672,669 8.557,670 9.43,671 10.316,672 11.193,673 12.079,674 12.2,679 1,681 2,682 1,684 2,689 1,690 10,691 2,695 7,697 22,709 1,714 1,715 1,716 49,718 23,719 2,720 33,722 52,723 21,724 18,725 5,726 7,728 4,729 5,730 1,731 1,740 19,741 2,744 1,749 1,753 1,757 1,760 19,761 7,762 3,763 9,764 1,766 1,769 6,775 0.75,776 2,784 1,793 1,794 3,797 1,819 3,823 2,824 1,827 30,834 3,835 1,849 1,850 4.1,853 1,855 1,858 15.333,859 9.41,860 6.694,861 2.63,863 4.229,864 1.543,865 1.009,866 5.969,867 12.017,868 3.829,869 4.469,870 5.082,871 5.709,872 6.236,873 6.548,874 6.952,875 7.369,876 7.621,877 7.991,878 1,879 47,880 10.998,881 4.62,882 7.804,883 20.622,884 16.391,885 2.304,886 69.111,889 1,890 188.338,891 141.274,892 88.89,893 39.149,894 36.145,897 141.274,898 263.631,899 88.89,900 19.279,901 36.022,902 84.429,903 90.213,904 41.534,905 30.146,906 153.024,907 39.149,908 188.338,909 230.164,910 36.145,911 39.149,913 188.338,914 36.145,917 50.827,918 127.755,919 90.73,921 188.338,922 125.035,923 180.423,926 188.338,927 28.519,928 114.042,929 54.032,930 108.865,931 188.338,932 125.035,933 180.423,935 0.576,936 0.345,937 0.194,938 0.105,939 22,940 10,941 0.096,942 5,943 1,944 1.095,945 4.141,946 266.249,947 0.095,948 21,949 143.207,954 20.317,955 8.813,956 4.474,957 0.741,958 123.748,959 17.887,960 8.923,964 4.358,966 54.032,967 493.795,968 45,973 12.491,977 -0.415,980 49.774,981 55.259,983 0.308,984 0.705,985 0.872,986 0.958,987 0.965,988 0.965,989 5.053,990 1.517,991 5.905,992 5.556,993 4.533,994 5.156,995 2.028,996 6.713,997 4.414,998 6.275,999 1.382,1000 7.46,1001 4.206,1002 4.111,1003 4.997,1004 1.195,1005 7.582,1006 3.919,1007 7.591,1008 1.176,1009 9.11,1010 3.725,1011 6.125,1012 7.412,1013 2.512,1014 10.671,1015 5.903,1016 8.942,1017 1,1018 10.815,1019 2.66,1020 6.509,1021 8.074,1022 2.324,1023 12.351,1024 6.214,1025 10.323,1026 0.857,1027 12.556,1028 2.364,1029 7.983,1030 9.956,1031 3.275,1032 14.946,1033 7.662,1034 11.724,1035 0.666,1036 14.322,1037 2.031,1038 8.744,1039 11.019,1040 3.407,1041 16.974,1042 8.352,1043 13.143,1044 0.265,1045 16.106,1046 1.191,1047 9.998,1048 12.676,1049 4.165,1050 19.391,1051 9.575,1052 3.129,1054 17.904,1055 0.446,1056 10.942,1057 13.946,1058 4.464,1059 21.576,1060 10.45,1061 2.921,1062 10.461,1063 19.712,1065 12.106,1066 15.502,1067 5.114,1068 23.927,1069 11.574,1070 2.779,1071 9.228,1072 21.529,1073 4.515,1074 13.137,1075 16.879,1076 5.504,1077 26.184,1078 12.539,1079 2.44,1080 8.958,1081 23.354,1082 3.911,1083 14.265,1084 18.393,1085 6.092,1086 28.513,1087 13.621,1088 2.14,1089 7.229,1090 25.184,1091 3.803,1092 15.339,1093 19.826,1094 6.531,1095 30.805,1096 14.631,1097 2.091,1098 6.225,1099 27.019,1100 3.129,1101 16.455,1102 21.323,1103 7.084,1104 33.129,1105 15.696,1106 2,1107 5.812,1108 28.859,1109 2.858,1110 17.55,1111 22.786,1112 7.551,1113 35.439,1114 16.729,1115 11737,1116 20850,1117 22.076,1118 34.131,1119 49.147,1120 50.368,1121 50.775,1122 48.813,1123 48.726,1124 66.337,1125 6.326,1126 140.183,1127 45.678,1128 5.448,1129 5.574,1130 6.117,1131 5.139,1132 5.129,1133 7.515,1134 2.912,1135 17.395,1136 4.954,1137 14.634,1138 1.489,1139 1.526,1140 1.539,1141 1.479,1142 1.477,1143 2.01,1144 0.192,1145 4.248,1146 1.384,1147 4.124,1148 4.176,1149 4.099,1150 3.969,1151 7.431,1152 3.992,1153 3.935,1154 3.962,1155 4.008,1156 3.841,1157 5.115,1158 3.845,1159 3.863,1160 3.892,1161 3.825,1162 3.767,1163 4.974,1164 3.778,1165 3.439,1166 3.508,1167 3.488,1168 3.193,1169 4.745,1170 3.228,1171 3.396,1172 3.47,1173 3.321,1174 3.13,1175 4.629,1176 3.157,1177 3.255,1178 3.314,1179 3.263,1180 3.036,1181 4.456,1182 3.043,1183 3.205,1184 3.267,1185 3.097,1186 2.984,1187 4.17,1188 2.994,1189 2.909,1190 2.985,1191 2.888,1192 2.758,1193 4.125,1194 2.754,1195 0.139,1196 0.108,1197 0.199,1198 0.123,1199 0.095,1200 4.573,1201 0.137,1202 3.574,1203 0.05,1204 6.57,1205 0.317,1206 4.07,1207 0.09,1208 3.129,1209 4.515,1210 1.656,1211 10.461,1212 2.954,1213 1.964,1214 1.933,1215 2.042,1216 2.103,1217 1.148,1218 2.081,1219 1.874,1220 1.856,1221 1.945,1222 1.992,1223 1.059,1224 1.98,1225 1.751,1226 1.704,1227 1.843,1228 1.911,1229 0.927,1230 1.903,1231 1.419,1232 1.353,1233 1.652,1234 1.658,1235 0.672,1236 1.66,1237 1.274,1238 1.226,1239 1.566,1240 1.577,1241 0.572,1242 1.542,1243 1.224,1244 1.129,1245 1.494,1246 1.501,1247 0.471,1248 1.517,1249 1.194,1250 1.123,1251 1.395,1252 1.493,1253 0.348,1254 1.496,1255 0.963,1256 0.915,1257 1.154,1258 1.131,1259 0.248,1260 1.131,1261 4.205,1263 5.525,1264 2.398,1265 7.04,1266 4.595,1267 8.645,1268 6.605,1269 10.299,1271 3.326,1272 6.018,1278 8.631,1279 5.256,1289 33.073,1290 84.662,1291 193.985,1292 239.96,1293 263.611,1294 265.611,1295 265.611,1296 44.865,1297 7.789,1298 92.58,1299 92.58,1300 23,1301 12.613,1302 4.585,1303 3.7,1304 47.154,1305 131,1306 106,1307 0.174,1308 207.526,1309 348.57,1310 498.123,1311 28372,1312 2,1313 21.087,1314 0.703,1315 0.569,1316 21.587,1317 17.066,1318 14.567,1319 0.441,1320 0.287,1321 8.966,1322 13.607,1323 8.705,1324 7.266,1325 14.856,1326 9.484,1327 12.971,1328 0.282,1329 0.148,1330 13.379,1331 6.824,1332 10.916,1333 0.179,1334 0.077,1335 11.178,1336 4.672,1337 9.426,1338 0.116,1339 0.04,1340 9.661,1341 3.229,1342 7.387,1343 0.075,1344 0.021,1345 7.639,1346 2.089,1347 0.277,1348 95.083,1349 0.213,1350 28.456,1351 0.468,1352 158,1353 499.608,1354 190.574,1355 513.169,1356 697.28,1357 480,1358 186,1359 498.763,1360 213.454,1361 515.368,1362 751.48,1363 483,1364 5.244}
{0 CHEMBL1081061,1 1.725,2 15.395,3 4.666,4 21.77,5 137.258,6 8.626,7 0.667,8 4.223,9 4.342,10 3.901,11 3.755,12 5.447,13 3.776,14 4.733,15 4.884,16 4.316,17 4.128,18 6.322,19 4.134,20 4.938,21 5.136,22 4.272,23 4.234,24 6.145,25 4.204,26 4.996,27 5.213,28 4.251,29 4.173,30 6.232,31 4.152,32 4.971,33 5.193,34 4.221,35 4.126,36 6.249,37 4.114,38 4.926,39 5.141,40 4.165,41 4.149,42 6.122,43 4.12,44 4.909,45 5.109,46 4.236,47 4.168,48 6.377,49 4.127,50 4.889,51 5.111,52 4.127,53 4.163,54 6.017,55 4.111,56 0.181,57 1.163,58 8.871,59 4.852,60 22.318,61 5.42,62 0.968,63 2.155,64 18.088,65 8.117,66 137.055,67 9.265,68 0.623,69 2.022,70 25.402,71 10.393,72 50.125,73 12.791,74 0.763,75 2.117,76 29.997,77 11.026,78 85.797,79 13.465,80 1.002,81 1.995,82 29.95,83 9.406,84 94.176,85 11.483,86 0.812,87 1.887,88 28.057,89 10.033,90 95.184,91 11.983,92 1.091,93 1.834,94 26.305,95 9.965,96 147.84,97 12.901,98 0.702,99 1.806,100 26.907,101 10.252,102 71.634,103 13.073,104 18,105 59,106 0.274,107 0.602,108 0.771,109 0.866,110 0.882,111 0.893,112 3.668,113 0.834,114 -4.78,115 -4.7,116 -4.41,118 45,120 1,124 1,130 1,138 10,139 3,140 2,141 3,142 1,143 1,147 2,154 1,156 1,167 11,170 1,171 3,173 3,174 1,175 5,178 11,181 2,182 4,184 2,186 5,188 4,192 9,197 9,204 10,206 1,208 6,215 9,218 2,220 3,223 5,227 1,228 5,231 1,232 1,233 1,235 11,239 2,240 1,243 2,247 13,251 2,252 2,255 1,256 1,257 1,260 10,264 3124,265 25.573,266 25.573,267 25.573,268 25.573,269 25.573,270 22.192,271 25.89,272 15.21,273 26.274,274 20.827,275 20.827,276 20.827,277 20.827,278 20.827,279 15.709,280 37.393,281 7.302,282 22.033,283 4.182,284 2.114,285 1.045,286 0.446,287 0.346,288 0.279,289 4.372,294 1,295 1271,296 4.301,299 96.208,300 495.458,303 168.671,307 2.594,308 51.088,311 0.75,312 0.83,313 0.83,314 0.5,316 0.83,317 1,318 0.68,319 85,320 585,321 4.574,322 4.46,323 7.116,324 4.18,325 3.32,326 4.515,327 3.825,328 11.69,329 2.955,330 4.453,331 3.563,332 6.572,333 4.072,334 3.132,335 3.87,336 1.656,337 10.479,338 2.898,339 4.176,340 3.165,341 6.11,342 3.766,343 2.797,344 3.803,345 0.4,346 8.967,347 2.696,348 3.897,349 2.792,350 5.568,351 3.555,352 2.6,353 3.444,354 0.247,355 7.629,356 2.503,357 3.892,358 2.72,359 5.344,360 3.513,361 2.521,362 3.189,364 6.97,365 2.455,366 3.686,367 2.585,368 5.335,369 3.296,370 2.338,371 3.063,373 6.942,374 2.221,375 3.491,376 2.327,377 5.222,378 3.036,379 2.116,380 2.855,382 6.326,383 1.944,384 3.377,385 2.24,386 4.76,387 2.929,388 1.945,389 2.616,391 5.307,392 1.893,393 2.945,394 1.844,395 4.459,396 2.493,397 1.551,398 2.129,400 4.329,401 1.458,402 2.939,403 1.637,404 4.329,405 2.478,406 1.529,407 2.108,409 3.984,410 1.438,411 2.858,412 1.531,413 3.813,414 2.385,415 1.417,416 1.972,417 3.273,418 1.354,419 2.66,420 1.28,421 3.628,422 2.156,423 1.189,424 1.733,425 2.765,426 1.148,427 2.57,428 1.189,429 3.49,430 2.092,431 1.116,432 1.6,433 2.538,434 1.078,435 2.5,436 1.177,437 3.473,438 2.064,439 1.11,440 1.5,441 2.507,442 1.054,443 2.5,444 1,445 3.434,446 1.984,447 1,448 1.5,449 2.33,450 0.983,451 17.49,452 0.46,453 0.997,454 0.026,455 54.75,456 1.441,457 29,458 0.763,459 25.75,460 0.678,461 28.338,462 0.746,463 40.11,464 0.668,465 47.209,466 1.242,467 11.138,468 0.293,469 7.209,470 0.19,471 0.068,472 0.029,473 0.28,476 3,478 0.645,479 1.089,480 0.645,481 0.999,482 0.58,483 0.86,484 0.461,485 0.85,486 0.763,487 0.99,488 0.383,489 0.979,490 0.687,491 0.892,492 0.915,493 1.042,494 0.595,495 1.05,496 0.998,497 1.147,498 0.987,499 1.127,500 0.922,501 1.068,502 1.018,503 0.8,504 1.061,505 0.847,506 0.952,507 0.918,508 1.005,509 0.849,510 1.061,511 0.911,512 0.957,513 0.967,514 0.422,515 0.693,516 0.858,517 0.952,518 0.403,519 1.03,520 0.664,521 0.731,522 0.917,523 0.887,524 0.621,525 0.956,526 8.5,527 0.247,528 3.556,529 2.313,530 1.778,531 1.187,532 0.835,533 0.4,534 0.513,535 0.277,536 25435,537 84799,538 2.107,539 36.7,541 12,542 2,543 3,544 3,546 2,549 1.786,550 1.991,551 3.884,552 0.817,558 103.518,559 1.725,560 3.793,561 4.861,562 5.461,563 5.561,564 5.628,565 3.376,566 4.965,567 5.217,568 4.103,569 2884.6,570 9.184,571 50114.5,576 354.413,577 1.425,578 5.183,579 0.202,580 0.006,581 0.06,582 0.041,583 0.033,584 0.023,585 0.016,586 0.008,587 0.01,588 0.006,589 0.405,590 0.17,591 0.75,592 0.618,593 214.275,594 -0.07,595 -0.138,596 0.023,597 -0.037,598 -0.092,599 0.013,600 0.385,601 0.195,602 0.034,603 -0.031,604 0.404,605 -0.097,606 -0.024,607 -0.068,608 -0.038,609 -0.088,610 0.001,611 -0.075,612 -0.106,613 -0.224,614 -0.008,615 -0.153,616 -0.054,617 -0.072,618 -0.095,619 0.068,620 -0.077,621 0.066,622 -0.064,623 0.025,624 -0.151,625 0.029,626 -0.106,627 0.045,628 -0.124,629 0.01,630 0.323,631 0.116,632 0.059,633 0.007,634 0.326,635 -0.045,636 -0.006,637 0.068,638 0.014,639 0.084,640 -0.03,641 0.065,642 5.751,643 5.475,644 0.711,645 51.706,646 1.026,647 1.141,648 3.553,649 12.623,650 0.686,651 3.761,652 4.094,653 4.317,654 4.575,655 4.779,656 4.844,657 5.017,658 5.106,659 5.22,660 5.333,661 9.069,662 0.679,663 517.56,664 3.761,665 5.313,666 6.151,667 7.029,668 7.883,669 8.763,670 9.625,671 10.507,672 11.375,673 12.258,674 11.7,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,716 60,718 29,719 2,720 42,722 64,723 27,724 23,725 4,726 8,728 5,729 6,731 1,732 1,737 1,738 1,740 24,741 3,744 1,749 1,753 1,758 3,760 22,761 10,762 3,763 11,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,825 3,827 38,833 2,834 3,839 1,849 3,850 1.7,853 1,858 19.083,859 10.645,860 8.167,861 3.377,863 5.039,864 1.591,865 1.028,866 7.364,867 13.567,868 4.06,869 4.68,870 5.252,871 5.856,872 6.377,873 6.64,874 7.095,875 7.487,876 7.793,877 8.19,878 1,879 57,880 14.482,881 6.673,882 8.099,883 25.881,884 21.038,885 2.599,886 98.75,890 223.651,891 178.545,892 105.675,894 25.145,895 44.88,897 178.545,898 248.796,899 150.556,901 40.662,902 112.857,903 130.541,904 91.136,905 30.146,906 164.795,907 7.76,908 223.651,909 284.221,910 70.025,913 200.109,914 93.567,917 81.322,918 134.531,919 68.367,921 268.531,922 130.82,923 178.545,926 231.41,927 30.786,928 141.286,929 54.032,930 120.382,931 223.651,932 175.701,933 178.545,935 0.584,936 0.326,937 0.175,938 0.094,939 28,940 12,941 0.109,942 7,943 1,944 1.074,945 4.908,946 364.758,947 0.074,948 27,949 190.666,954 25.405,955 11.016,956 6.373,957 0.679,958 174.414,959 24.216,960 13.175,964 2.768,966 54.032,967 577.897,968 57,973 12.475,977 -0.669,980 61.53,981 68.453,983 0.292,984 0.642,985 0.823,986 0.925,987 0.941,988 0.953,989 5.293,990 1.945,991 6.151,992 6.326,993 4.779,994 5.368,995 3.257,996 6.961,997 4.67,998 6.514,999 1.551,1000 7.71,1001 5.307,1002 4.443,1003 5.147,1004 3.949,1005 8.003,1006 4.19,1007 7.826,1008 1.529,1009 9.379,1010 4.329,1011 6.409,1012 7.58,1013 5.465,1014 11.026,1015 6.167,1016 9.174,1017 1.417,1018 11.116,1019 3.984,1020 6.889,1021 8.172,1022 6.701,1023 12.906,1024 6.482,1025 10.552,1026 1.189,1027 12.9,1028 3.273,1029 8.348,1030 10.082,1031 8.065,1032 15.499,1033 7.935,1034 11.953,1035 1.116,1036 14.716,1037 2.765,1038 9.199,1039 11.085,1040 9.391,1041 17.71,1042 8.624,1043 13.372,1044 1.11,1045 16.558,1046 2.538,1047 10.465,1048 12.76,1049 10.736,1050 20.179,1051 9.851,1052 3.32,1053 1,1054 18.418,1055 2.507,1056 11.488,1057 13.987,1058 12.075,1059 22.522,1060 10.724,1061 3.132,1062 11.69,1063 20.294,1064 2.33,1065 12.684,1066 15.552,1067 13.417,1068 24.959,1069 11.851,1070 2.797,1071 10.479,1072 22.182,1073 4.515,1074 13.786,1075 16.902,1076 14.758,1077 27.355,1078 12.816,1079 2.6,1080 8.967,1081 24.08,1082 3.87,1083 14.96,1084 18.419,1085 16.1,1086 29.787,1087 13.901,1088 2.521,1089 7.629,1090 25.987,1091 3.803,1092 16.1,1093 19.836,1094 17.441,1095 32.208,1096 14.913,1097 2.338,1098 6.97,1099 27.901,1100 3.444,1101 17.27,1102 21.335,1103 18.783,1104 34.643,1105 15.981,1106 2.116,1107 6.942,1108 29.821,1109 3.189,1110 18.429,1111 22.788,1112 20.124,1113 37.075,1114 17.017,1115 23819,1116 43822,1117 28.315,1118 41.159,1119 63.643,1120 63.461,1121 62.979,1122 62.824,1123 62.623,1124 84.178,1125 12.257,1126 179.604,1127 59.232,1128 5.449,1129 6.46,1130 6.918,1131 5.251,1132 5.32,1133 7.515,1134 5.335,1135 18.668,1136 4.955,1137 17.402,1138 1.515,1139 1.511,1140 1.5,1141 1.496,1142 1.491,1143 2.004,1144 0.292,1145 4.276,1146 1.41,1147 4.128,1148 4.18,1149 4.1,1150 3.975,1151 8.513,1152 3.997,1153 3.952,1154 3.985,1155 3.911,1156 3.854,1157 7.999,1158 3.86,1159 3.888,1160 3.93,1161 3.82,1162 3.795,1163 7.999,1164 3.796,1165 3.867,1166 3.901,1167 3.813,1168 3.762,1169 7.431,1170 3.774,1171 3.472,1172 3.547,1173 3.45,1174 3.25,1175 5.113,1176 3.261,1177 3.456,1178 3.512,1179 3.339,1180 3.19,1181 4.897,1182 3.235,1183 3.291,1184 3.341,1185 3.271,1186 3.086,1187 4.754,1188 3.109,1189 3.221,1190 3.275,1191 3.145,1192 2.972,1193 4.704,1194 3.016,1195 0.109,1196 0.106,1197 0.169,1198 0.1,1199 0.079,1200 4.574,1201 0.108,1202 4.46,1203 0.091,1204 7.116,1205 0.278,1206 4.18,1207 0.07,1208 3.32,1209 4.515,1210 3.825,1211 11.69,1212 2.955,1213 1.966,1214 1.934,1215 2.047,1216 2.106,1217 1.208,1218 2.085,1219 1.903,1220 1.877,1221 2.006,1222 2.019,1223 1.142,1224 2.011,1225 1.869,1226 1.831,1227 1.996,1228 1.989,1229 1.098,1230 1.994,1231 1.747,1232 1.7,1233 1.831,1234 1.91,1235 0.919,1236 1.897,1237 1.441,1238 1.373,1239 1.657,1240 1.668,1241 0.764,1242 1.669,1243 1.327,1244 1.261,1245 1.511,1246 1.603,1247 0.493,1248 1.549,1249 1.283,1250 1.235,1251 1.404,1252 1.532,1253 0.366,1254 1.528,1255 1.079,1256 1.04,1257 1.205,1258 1.407,1259 0.276,1260 1.322,1261 4.443,1263 5.771,1264 2.398,1265 7.281,1266 4.595,1267 8.874,1268 6.605,1269 10.512,1273 38.888,1277 1.419,1278 8.443,1283 -4.501,1289 40.756,1290 103.518,1291 227.571,1292 291.684,1293 327.659,1294 333.659,1295 337.659,1296 75.943,1297 8.528,1298 96.24,1299 96.24,1300 29,1301 12.795,1302 4.907,1303 4,1304 59.223,1305 205,1306 209,1307 0.136,1308 246.964,1309 426.4,1310 594.352,1311 76383,1312 5,1313 26.537,1314 0.698,1315 0.524,1316 24.037,1317 19.905,1318 18.347,1319 0.437,1320 0.278,1321 11.456,1322 17.486,1323 11.318,1324 9.341,1325 17.136,1326 11.672,1327 17.246,1328 0.292,1329 0.142,1330 15.288,1331 8.404,1332 13.415,1333 0.181,1334 0.077,1335 12.453,1336 5.694,1337 11.39,1338 0.119,1339 0.04,1340 10.872,1341 3.887,1342 9.026,1343 0.076,1344 0.021,1345 8.386,1346 2.515,1347 0.219,1348 116.12,1349 0.188,1350 35.009,1351 0.356,1352 202,1353 781.648,1354 234.914,1355 681.799,1356 908.14,1357 634,1358 234,1359 654.749,1360 260.625,1361 644.753,1362 957.54,1363 606,1364 6.801}
{0 CHEMBL1081062,1 1.802,2 16.125,3 5.1,4 26.006,5 141.418,6 8.96,7 0.636,8 4.248,9 4.353,10 3.946,11 3.78,12 5.529,13 3.811,14 4.743,15 4.872,16 4.379,17 4.157,18 6.416,19 4.176,20 4.956,21 5.13,22 4.356,23 4.271,24 6.254,25 4.258,26 5.047,27 5.25,28 4.327,29 4.202,30 6.371,31 4.203,32 4.986,33 5.195,34 4.269,35 4.146,36 6.316,37 4.148,38 4.914,39 5.11,40 4.23,41 4.171,42 6.154,43 4.157,44 4.949,45 5.139,46 4.306,47 4.201,48 6.47,49 4.177,50 4.916,51 5.121,52 4.151,53 4.204,54 6.08,55 4.152,56 0.274,57 1.145,58 8.165,59 4.997,60 37.648,61 5.057,62 1.082,63 2.152,64 16.033,65 8.304,66 162.145,67 8.786,68 0.742,69 2.049,70 22.898,71 10.677,72 74.517,73 12.184,74 1.07,75 2.173,76 30.376,77 11.297,78 135.536,79 12.779,80 1.191,81 2.013,82 29.474,83 9.796,84 134.468,85 11.088,86 0.883,87 1.905,88 25.445,89 10.146,90 122.098,91 11.566,92 1.336,93 1.888,94 26.317,95 9.939,96 178.632,97 11.97,98 0.841,99 1.832,100 25.849,101 10.783,102 100.763,103 12.973,104 41,105 63,106 0.284,107 0.607,108 0.751,109 0.857,110 0.887,111 0.897,112 3.717,113 0.812,114 -4.98,115 -4.88,116 -4.58,118 45.9,124 1,130 1,138 12,139 4,140 2,141 1,142 1,143 1,147 2,153 1,154 1,156 1,162 1,165 1,167 14,168 1,170 1,171 2,173 4,174 1,175 6,178 14,179 2,181 2,182 5,184 2,186 8,188 7,189 2,192 10,197 11,200 1,204 12,206 1,208 8,215 11,218 1,220 3,221 1,223 5,227 1,228 6,231 2,232 2,233 1,235 12,239 1,240 3,241 1,243 2,247 15,251 1,252 2,253 2,255 2,256 1,257 1,260 12,264 3610,265 26.521,266 26.521,267 26.521,268 26.521,269 26.521,270 23.023,271 28.168,272 15.445,273 27.144,274 21.761,275 21.761,276 21.761,277 21.761,278 21.761,279 16.377,280 41.9,281 7.369,282 22.865,283 4.129,284 2.084,285 1.169,286 0.496,287 0.307,288 0.242,289 4.418,294 1,295 1390,296 4.583,299 102.689,300 522.58,303 180.783,307 2.738,308 63.007,311 0.75,312 0.67,313 0.83,314 0.3,316 0.83,317 1,318 0.63,319 90.5,320 645,321 4.574,322 4.46,323 7.116,324 4.18,325 3.32,326 4.516,327 3.825,328 11.69,329 2.956,330 4.453,331 3.576,332 6.573,333 4.073,334 3.133,335 3.87,336 1.656,337 10.48,338 2.898,339 4.177,340 3.563,341 6.11,342 3.789,343 2.802,344 3.804,345 1.437,346 8.968,347 2.778,348 4.163,349 3.171,350 5.929,351 3.762,352 2.779,353 3.756,354 0.657,355 8.227,356 2.694,357 3.892,358 2.808,359 5.568,360 3.555,361 2.6,362 3.189,363 0.247,364 7.629,365 2.456,366 3.708,367 2.729,368 5.336,369 3.367,370 2.38,371 3.067,373 6.942,374 2.346,375 3.685,376 2.585,377 5.335,378 3.295,379 2.337,380 3.044,382 6.854,383 2.22,384 3.467,385 2.327,386 5.181,387 2.992,388 2.063,389 2.834,391 6.237,392 1.91,393 3.376,394 2.202,395 4.76,396 2.928,397 1.944,398 2.615,400 5.307,401 1.891,402 2.945,403 1.925,404 4.458,405 2.478,406 1.529,407 2.129,409 4.329,410 1.438,411 2.858,412 1.844,413 4.328,414 2.385,415 1.417,416 1.972,417 3.982,418 1.354,419 2.789,420 1.531,421 3.828,422 2.298,423 1.299,424 1.799,425 3.037,426 1.278,427 2.659,428 1.207,429 3.717,430 2.151,431 1.176,432 1.73,433 2.685,434 1.145,435 2.57,436 1.189,437 3.49,438 2.092,439 1.111,440 1.6,441 2.534,442 1.078,443 2.5,444 1.069,445 3.472,446 2,447 1,448 1.5,449 2.387,450 1,451 18.257,452 0.456,453 1.192,454 0.03,455 57.25,456 1.431,457 30.5,458 0.763,459 26.75,460 0.669,461 29.992,462 0.75,463 42.343,464 0.694,465 52.41,466 1.31,467 11.822,468 0.296,469 7.33,470 0.183,471 0.102,472 0.027,473 0.323,476 3,478 0.684,479 1.029,480 0.639,481 0.941,482 0.634,483 0.814,484 0.42,485 0.833,486 0.71,487 0.976,488 0.371,489 0.965,490 0.677,491 0.947,492 0.91,493 1.119,494 0.605,495 1.113,496 1.046,497 1.122,498 1.045,499 1.086,500 0.946,501 1.06,502 1.002,503 0.788,504 1.059,505 0.816,506 0.945,507 0.9,508 0.896,509 0.945,510 1.006,511 0.984,512 0.844,513 1.01,514 0.511,515 0.618,516 0.913,517 0.828,518 0.499,519 0.973,520 0.657,521 0.748,522 0.995,523 0.957,524 0.625,525 1.063,526 10,527 0.35,528 4.444,529 2.5,530 2.129,531 1.424,532 0.889,533 0.517,534 0.525,535 0.353,536 28801,537 105794,538 2.071,539 34.4,541 14,542 2,543 1,544 4,549 1.798,550 1.928,551 3.946,552 1.481,558 109.911,559 1.802,560 3.847,561 4.762,562 5.435,563 5.623,564 5.689,565 3.416,566 4.903,567 5.29,568 4.172,569 3254.18,570 9.329,571 58821.4,576 361.775,577 1.553,578 5.243,579 0.227,580 0.007,581 0.071,582 0.04,583 0.037,584 0.026,585 0.016,586 0.009,587 0.01,588 0.007,589 0.451,591 0.75,592 0.76,593 229.258,594 -0.093,595 -0.093,597 0.015,598 -0.112,599 0.042,600 0.381,601 0.22,602 0.044,603 -0.016,604 0.377,605 -0.097,606 -0.027,607 -0.112,608 -0.064,609 -0.164,611 -0.144,612 -0.155,613 -0.2,614 -0.054,615 -0.127,616 -0.088,617 -0.066,618 -0.116,619 0.085,620 -0.067,621 0.106,622 -0.091,623 0.066,624 -0.123,625 -0.044,626 -0.076,627 -0.018,628 -0.103,629 -0.016,630 0.247,631 0.197,632 0.009,633 0.11,634 0.227,635 -0.001,636 -0.024,637 0.053,638 -0.069,639 0.024,640 -0.046,641 -0.019,642 5.773,643 5.489,644 0.675,645 57.025,646 1.034,647 1.137,648 3.752,649 14.078,650 0.69,651 3.807,652 4.159,653 4.382,654 4.625,655 4.844,656 4.942,657 5.1,658 5.176,659 5.323,660 5.451,661 9.466,662 0.691,663 546.55,664 3.807,665 5.371,666 6.213,667 7.096,668 7.954,669 8.837,670 9.703,671 10.586,672 11.456,673 12.34,674 9.8,679 1,681 2,682 1,684 2,689 1,690 15,691 2,695 8,697 28,706 1,709 1,716 61,718 30,719 3,720 44,722 65,723 28,724 24,725 6,726 12,727 1,728 5,729 6,731 1,732 1,737 1,740 26,741 2,744 2,749 2,753 2,758 3,760 21,761 11,762 4,763 12,766 1,769 6,775 0.8,776 3,784 1,793 1,794 4,797 1,817 1,819 4,825 3,827 40,832 1,833 1,834 3,839 1,849 3,850 4.9,852 1,853 2,858 20.75,859 10.812,860 8.528,861 3.314,863 5.25,864 1.603,865 1.009,866 7.628,867 13.963,868 4.111,869 4.743,870 5.315,871 5.91,872 6.443,873 6.747,874 7.185,875 7.559,876 7.913,877 8.335,878 0.909,879 62,880 15.246,881 7.103,882 8.265,883 26.822,884 21.86,885 2.765,886 110.583,890 200.109,891 180.964,892 88.89,894 92.973,895 44.88,897 180.964,898 293.082,899 133.77,901 38.127,902 131.81,903 158.951,904 76.227,905 30.146,906 164.795,907 7.76,908 200.109,909 269.854,910 137.854,913 200.109,914 137.854,917 60.693,918 157.579,919 51.582,921 244.989,922 181.863,923 180.964,926 207.868,927 32.347,928 142.144,929 54.032,930 171.425,931 200.109,932 226.743,933 180.964,935 0.592,936 0.331,937 0.17,938 0.092,939 30,940 14,941 0.108,942 7,943 1,944 1.074,945 4.994,946 392.661,947 0.074,948 27,949 204.122,954 27.038,955 11.285,956 6.552,957 0.584,958 225.457,959 22.843,960 9.047,964 2.306,966 96.716,967 607.816,968 60,973 23.579,977 -1.705,980 63.083,981 69.374,983 0.304,984 0.649,985 0.803,986 0.916,987 0.948,988 0.959,989 5.357,990 2.063,991 6.229,992 6.854,993 4.844,994 5.432,995 3.422,996 7.05,997 4.748,998 6.591,999 1.944,1000 7.801,1001 6.237,1002 4.575,1003 5.286,1004 3.949,1005 8.102,1006 4.354,1007 7.913,1008 1.529,1009 9.478,1010 5.307,1011 6.491,1012 7.655,1013 5.501,1014 11.111,1015 6.278,1016 9.268,1017 1.417,1018 11.219,1019 4.329,1020 7.004,1021 8.291,1022 6.701,1023 12.975,1024 6.646,1025 10.651,1026 1.299,1027 13.001,1028 3.982,1029 8.436,1030 10.161,1031 8.071,1032 15.559,1033 8.069,1034 12.055,1035 1.176,1036 14.814,1037 3.037,1038 9.296,1039 11.184,1040 9.391,1041 17.754,1042 8.786,1043 13.475,1044 1.111,1045 16.65,1046 2.685,1047 10.547,1048 12.836,1049 10.736,1050 20.215,1051 9.998,1052 3.32,1053 1,1054 18.503,1055 2.534,1056 11.568,1057 14.068,1058 12.075,1059 22.548,1060 10.884,1061 3.133,1062 11.69,1063 20.371,1064 2.387,1065 12.754,1066 15.619,1067 13.417,1068 24.979,1069 12.004,1070 2.802,1071 10.48,1072 22.252,1073 4.516,1074 13.851,1075 16.968,1076 14.758,1077 27.37,1078 12.974,1079 2.779,1080 8.968,1081 24.143,1082 3.87,1083 15.017,1084 18.475,1085 16.1,1086 29.799,1087 14.055,1088 2.6,1089 8.227,1090 26.043,1091 3.804,1092 16.152,1093 19.888,1094 17.441,1095 32.216,1096 15.068,1097 2.38,1098 7.629,1099 27.95,1100 3.756,1101 17.316,1102 21.379,1103 18.783,1104 34.649,1105 16.132,1106 2.337,1107 6.942,1108 29.864,1109 3.189,1110 18.47,1111 22.829,1112 20.124,1113 37.079,1114 17.167,1115 27230,1116 52446,1117 29.126,1118 42.063,1119 67.547,1120 67.73,1121 67.346,1122 66.635,1123 66.423,1124 89.286,1125 15.645,1126 193.789,1127 63.256,1128 5.446,1129 6.46,1130 6.664,1131 5.252,1132 5.32,1133 7.516,1134 5.335,1135 18.668,1136 4.956,1137 22.406,1138 1.535,1139 1.539,1140 1.531,1141 1.514,1142 1.51,1143 2.029,1144 0.356,1145 4.404,1146 1.438,1147 4.13,1148 4.182,1149 4.102,1150 3.98,1151 8.513,1152 4.001,1153 3.953,1154 3.986,1155 3.912,1156 3.866,1157 7.999,1158 3.867,1159 3.929,1160 3.953,1161 3.875,1162 3.853,1163 7.999,1164 3.857,1165 3.867,1166 3.901,1167 3.816,1168 3.765,1169 7.475,1170 3.777,1171 3.47,1172 3.516,1173 3.45,1174 3.225,1175 7.431,1176 3.253,1177 3.433,1178 3.482,1179 3.362,1180 3.187,1181 6.351,1182 3.232,1183 3.294,1184 3.338,1185 3.278,1186 3.088,1187 5.113,1188 3.114,1189 3.238,1190 3.277,1191 3.184,1192 2.973,1193 4.756,1194 3.019,1195 0.104,1196 0.101,1197 0.162,1198 0.095,1199 0.075,1200 4.574,1201 0.103,1202 4.46,1203 0.087,1204 7.116,1205 0.266,1206 4.18,1207 0.067,1208 3.32,1209 4.516,1210 3.825,1211 11.69,1212 2.956,1213 1.969,1214 1.938,1215 2.052,1216 2.108,1217 1.178,1218 2.087,1219 1.921,1220 1.898,1221 2.024,1222 2.021,1223 1.139,1224 2.018,1225 1.902,1226 1.876,1227 1.998,1228 2.001,1229 1.098,1230 2.002,1231 1.745,1232 1.699,1233 1.825,1234 1.907,1235 0.919,1236 1.893,1237 1.414,1238 1.357,1239 1.579,1240 1.633,1241 0.691,1242 1.619,1243 1.294,1244 1.251,1245 1.461,1246 1.603,1247 0.478,1248 1.545,1249 1.267,1250 1.229,1251 1.402,1252 1.508,1253 0.364,1254 1.484,1255 1.079,1256 1.04,1257 1.205,1258 1.407,1259 0.266,1260 1.322,1261 4.489,1263 5.832,1264 2.398,1265 7.352,1266 4.595,1267 8.951,1268 6.605,1269 10.593,1273 38.924,1276 9.087,1277 0.371,1278 8.279,1283 -4.523,1289 42.164,1290 109.911,1291 234.642,1292 290.491,1293 331.51,1294 343.02,1295 347.02,1296 92.384,1297 8.713,1298 120.65,1299 120.65,1300 29,1301 12.876,1302 4.954,1303 4.087,1304 64.066,1305 225,1306 231,1307 0.134,1308 254.827,1309 447.64,1310 613.538,1311 95198,1312 4.9,1313 28.277,1314 0.707,1315 0.515,1316 25.777,1317 20.607,1318 19.152,1319 0.435,1320 0.271,1321 11.683,1322 18.231,1323 11.544,1324 9.517,1325 17.941,1326 11.911,1327 18.413,1328 0.292,1329 0.139,1330 16.456,1331 8.727,1332 14.283,1333 0.181,1334 0.075,1335 13.321,1336 5.899,1337 11.838,1338 0.117,1339 0.039,1340 11.321,1341 3.963,1342 9.4,1343 0.075,1344 0.021,1345 8.76,1346 2.619,1347 0.217,1348 121.602,1349 0.185,1350 36.468,1351 0.351,1352 214,1353 861.888,1354 249.954,1355 754.911,1356 994.97,1357 698,1358 249,1359 709.303,1360 277.782,1361 699.249,1362 1038.76,1363 656,1364 5.276}
{0 CHEMBL1081198,1 1.744,2 14.73,3 4.345,4 18.876,5 132.503,6 8.834,7 0.683,8 4.18,9 4.296,10 3.877,11 3.713,12 5.424,13 3.74,14 4.682,15 4.827,16 4.298,17 4.084,18 6.306,19 4.099,20 4.876,21 5.063,22 4.255,23 4.186,24 6.119,25 4.167,26 4.946,27 5.161,28 4.231,29 4.118,30 6.211,31 4.111,32 4.902,33 5.117,34 4.21,35 4.078,36 6.221,37 4.08,38 4.853,39 5.05,40 4.172,41 4.116,42 6.095,43 4.102,44 4.871,45 5.067,46 4.245,47 4.145,48 6.376,49 4.118,50 4.843,51 5.053,52 4.076,53 4.138,54 5.989,55 4.078,56 0.198,57 1.125,58 7.849,59 4.515,60 23.314,61 4.852,62 0.967,63 2.093,64 15.959,65 7.495,66 135.232,67 8.182,68 0.614,69 1.946,70 22.03,71 9.599,72 50.295,73 11.354,74 0.816,75 2.042,76 27.871,77 10.182,78 91.014,79 12.045,80 1.004,81 1.909,82 26.974,83 8.732,84 94.135,85 10.145,86 0.765,87 1.821,88 24.172,89 9.358,90 95.623,91 10.649,92 1.126,93 1.799,94 24.377,95 9.241,96 148.482,97 11.544,98 0.693,99 1.744,100 23.965,101 10.054,102 68.309,103 12.376,104 18,105 58,106 0.279,107 0.594,108 0.763,109 0.864,110 0.881,111 0.892,112 3.642,113 0.817,114 -4.59,115 -4.51,116 -4.24,118 45.6,124 1,130 1,138 10,139 3,140 2,141 3,142 1,143 1,147 2,154 1,156 1,167 10,170 1,171 3,173 3,174 1,175 5,178 9,181 2,182 4,184 2,186 6,188 4,192 8,197 7,204 11,206 2,208 6,215 9,218 1,220 3,223 5,227 2,228 1,231 1,232 1,233 1,235 12,239 3,240 1,243 2,247 13,252 3,255 1,256 1,257 1,260 7,264 2817,265 24.866,266 24.866,267 24.866,268 24.866,269 24.866,270 21.485,271 25.89,272 14.724,273 25.558,274 20.327,275 20.327,276 20.327,277 20.327,278 20.327,279 15.209,280 40.25,281 7.075,282 21.526,283 4.089,284 2.12,285 1.065,286 0.434,287 0.329,288 0.259,289 4.347,294 1,295 1188,296 4.183,299 92.544,300 473.855,303 161.662,307 2.386,308 50.802,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 83,320 545,321 4.574,322 4.46,323 7.116,324 4.18,325 3.32,326 4.516,327 3.825,328 11.69,329 2.956,330 4.453,331 3.563,332 6.573,333 4.073,334 3.133,335 3.87,336 1.656,337 10.48,338 2.898,339 4.176,340 3.171,341 6.11,342 3.767,343 2.798,344 3.803,345 0.657,346 8.968,347 2.698,348 3.899,349 2.807,350 5.568,351 3.556,352 2.6,353 3.446,354 0.247,355 7.629,356 2.487,357 3.892,358 2.725,359 5.367,360 3.504,361 2.52,362 3.189,364 7.012,365 2.452,366 3.686,367 2.585,368 5.335,369 3.296,370 2.337,371 3.063,373 6.942,374 2.22,375 3.479,376 2.327,377 5.191,378 3.007,379 2.084,380 2.849,382 6.259,383 1.919,384 3.376,385 2.185,386 4.76,387 2.929,388 1.945,389 2.616,391 5.307,392 1.892,393 2.945,394 1.844,395 4.458,396 2.478,397 1.529,398 2.129,400 4.329,401 1.438,402 2.92,403 1.599,404 4.328,405 2.431,406 1.498,407 2.09,409 3.982,410 1.394,411 2.858,412 1.531,413 3.785,414 2.385,415 1.416,416 1.972,417 3.186,418 1.354,419 2.659,420 1.201,421 3.59,422 2.151,423 1.177,424 1.731,425 2.68,426 1.145,427 2.57,428 1.189,429 3.489,430 2.092,431 1.111,432 1.6,433 2.534,434 1.078,435 2.5,436 1.006,437 3.469,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 16.99,452 0.459,453 0.997,454 0.027,455 54.25,456 1.466,457 29,458 0.784,459 25.25,460 0.682,461 26.52,462 0.717,463 38.81,464 0.681,465 46.735,466 1.263,467 11.114,468 0.3,469 6.734,470 0.182,471 0.07,472 0.029,473 0.288,476 3,478 0.65,479 1.078,480 0.628,481 0.981,482 0.585,483 0.839,484 0.467,485 0.837,486 0.75,487 0.966,488 0.389,489 0.958,490 0.692,491 0.926,492 0.928,493 1.088,494 0.607,495 1.091,496 1.037,497 1.133,498 1.004,499 1.09,500 0.941,501 1.04,502 1.021,503 0.761,504 1.039,505 0.796,506 0.969,507 0.87,508 1.008,509 0.917,510 1.038,511 0.96,512 0.982,513 0.987,514 0.443,515 0.616,516 0.856,517 0.857,518 0.403,519 0.963,520 0.628,521 0.719,522 0.999,523 0.992,524 0.624,525 1.095,526 8.5,527 0.234,528 3.556,529 2.188,530 1.858,531 1.187,532 0.809,533 0.462,534 0.444,535 0.252,536 23292,537 79702,538 2.11,539 35.1,541 12,542 2,543 3,544 3,549 1.78,550 1.991,551 3.828,552 0.836,558 99.418,559 1.744,560 3.713,561 4.767,562 5.399,563 5.504,564 5.574,565 3.287,566 4.757,567 5.18,568 4.039,569 2690.18,570 9.109,571 45354.2,576 332.475,577 1.444,578 5.144,579 0.207,580 0.006,581 0.061,582 0.039,583 0.035,584 0.023,585 0.016,586 0.009,587 0.009,588 0.006,589 0.411,590 0.17,591 0.75,592 0.629,593 206.273,594 -0.076,595 -0.141,596 0.02,597 -0.037,598 -0.1,599 0.014,600 0.381,601 0.207,602 0.027,603 -0.021,604 0.399,605 -0.098,606 -0.029,607 -0.1,608 -0.068,609 -0.14,610 -0.006,611 -0.129,612 -0.132,613 -0.211,614 -0.013,615 -0.125,616 -0.067,617 -0.047,618 -0.091,619 0.112,620 -0.058,621 0.119,622 -0.067,623 0.072,624 -0.16,625 -0.027,626 -0.109,627 0.006,628 -0.138,629 -0.015,630 0.309,631 0.192,632 0.057,633 0.088,634 0.322,635 0.008,636 0.012,637 0.075,638 -0.082,639 -0.008,640 -0.04,641 -0.062,642 5.752,643 5.459,644 0.73,645 47.173,646 1.029,647 1.141,648 3.356,649 11.263,650 0.691,651 3.738,652 4.078,653 4.304,654 4.564,655 4.779,656 4.852,657 5.037,658 5.13,659 5.252,660 5.352,661 8.719,662 0.688,663 503.53,664 3.738,665 5.293,666 6.133,667 7.015,668 7.871,669 8.754,670 9.619,671 10.503,672 11.374,673 12.259,674 12.3,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,716 57,718 29,719 2,720 41,722 61,723 26,724 23,725 4,726 8,728 5,729 6,731 1,732 1,737 1,740 24,741 2,744 1,749 1,753 1,758 3,760 20,761 10,762 3,763 11,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,825 3,827 37,833 1,834 3,839 1,849 3,850 1.8,853 1,858 18.583,859 10.145,860 7.917,861 3.127,863 5.064,864 1.597,865 1.035,866 6.867,867 13.548,868 4.043,869 4.67,870 5.246,871 5.853,872 6.382,873 6.657,874 7.129,875 7.538,876 7.874,877 8.275,878 0.9,879 56,880 14.102,881 6.53,882 8.128,883 25.064,884 20.372,885 2.628,886 97.25,890 200.109,891 176.011,892 105.675,894 25.145,895 44.88,897 176.011,898 225.254,899 150.556,901 38.127,902 112.857,903 130.541,904 91.136,905 30.146,906 141.253,907 7.76,908 200.109,909 281.686,910 70.025,913 200.109,914 70.025,917 78.788,918 134.531,919 68.367,921 244.989,922 130.82,923 176.011,926 207.868,927 28.252,928 141.286,929 54.032,930 120.382,931 200.109,932 175.701,933 176.011,935 0.586,936 0.327,937 0.175,938 0.095,939 28,940 12,941 0.098,942 6,943 1,944 1.074,945 4.796,946 355.438,947 0.074,948 27,949 183.995,954 24.448,955 10.393,956 5.947,957 0.66,958 174.414,959 23.966,960 13.13,964 2.594,966 54.032,967 551.82,968 56,973 12.459,977 -0.672,980 58.647,981 65.038,983 0.299,984 0.637,985 0.817,986 0.926,987 0.944,988 0.956,989 5.278,990 1.945,991 6.138,992 6.259,993 4.762,994 5.359,995 3.277,996 6.954,997 4.651,998 6.504,999 1.529,1000 7.701,1001 5.307,1002 4.443,1003 5.147,1004 3.949,1005 8.003,1006 4.19,1007 7.818,1008 1.498,1009 9.373,1010 4.329,1011 6.399,1012 7.577,1013 5.466,1014 11.024,1015 6.154,1016 9.168,1017 1.416,1018 11.113,1019 3.982,1020 6.889,1021 8.172,1022 6.701,1023 12.906,1024 6.481,1025 10.549,1026 1.177,1027 12.898,1028 3.186,1029 8.344,1030 10.081,1031 8.066,1032 15.499,1033 7.926,1034 11.951,1035 1.111,1036 14.715,1037 2.68,1038 9.199,1039 11.085,1040 9.391,1041 17.71,1042 8.621,1043 13.371,1044 1,1045 16.557,1046 2.534,1047 10.464,1048 12.76,1049 10.736,1050 20.18,1051 9.844,1052 3.32,1053 1,1054 18.418,1055 2.381,1056 11.488,1057 13.987,1058 12.075,1059 22.522,1060 10.721,1061 3.133,1062 11.69,1063 20.294,1064 2.2,1065 12.683,1066 15.552,1067 13.417,1068 24.959,1069 11.846,1070 2.798,1071 10.48,1072 22.182,1073 4.516,1074 13.787,1075 16.902,1076 14.758,1077 27.355,1078 12.814,1079 2.6,1080 8.968,1081 24.081,1082 3.87,1083 14.96,1084 18.419,1085 16.1,1086 29.788,1087 13.898,1088 2.52,1089 7.629,1090 25.988,1091 3.803,1092 16.101,1093 19.836,1094 17.441,1095 32.208,1096 14.911,1097 2.337,1098 7.012,1099 27.902,1100 3.446,1101 17.271,1102 21.335,1103 18.783,1104 34.643,1105 15.979,1106 2.084,1107 6.942,1108 29.822,1109 3.189,1110 18.431,1111 22.789,1112 20.124,1113 37.075,1114 17.016,1115 21791,1116 40597,1117 27.622,1118 39.398,1119 62.47,1120 62.271,1121 61.735,1122 61.706,1123 61.527,1124 83.118,1125 12.772,1126 177.513,1127 58.128,1128 5.446,1129 6.46,1130 6.918,1131 5.251,1132 5.32,1133 7.516,1134 5.335,1135 18.668,1136 4.956,1137 17.049,1138 1.524,1139 1.519,1140 1.506,1141 1.505,1142 1.501,1143 2.027,1144 0.312,1145 4.33,1146 1.418,1147 4.129,1148 4.18,1149 4.101,1150 3.975,1151 8.513,1152 3.998,1153 3.951,1154 3.984,1155 3.911,1156 3.854,1157 7.999,1158 3.86,1159 3.879,1160 3.919,1161 3.82,1162 3.787,1163 7.999,1164 3.791,1165 3.861,1166 3.899,1167 3.803,1168 3.75,1169 7.431,1170 3.761,1171 3.47,1172 3.515,1173 3.45,1174 3.197,1175 5.114,1176 3.243,1177 3.349,1178 3.43,1179 3.291,1180 3.119,1181 4.897,1182 3.15,1183 3.28,1184 3.33,1185 3.237,1186 3.03,1187 4.754,1188 3.054,1189 3.185,1190 3.245,1191 3.094,1192 2.967,1193 4.704,1194 3.003,1195 0.112,1196 0.109,1197 0.174,1198 0.102,1199 0.081,1200 4.574,1201 0.11,1202 4.46,1203 0.093,1204 7.116,1205 0.285,1206 4.18,1207 0.072,1208 3.32,1209 4.516,1210 3.825,1211 11.69,1212 2.956,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.903,1220 1.877,1221 1.999,1222 2.019,1223 1.099,1224 2.01,1225 1.855,1226 1.817,1227 1.977,1228 1.977,1229 1.089,1230 1.98,1231 1.737,1232 1.691,1233 1.819,1234 1.902,1235 0.907,1236 1.887,1237 1.401,1238 1.341,1239 1.56,1240 1.614,1241 0.579,1242 1.603,1243 1.288,1244 1.243,1245 1.421,1246 1.603,1247 0.458,1248 1.544,1249 1.156,1250 1.075,1251 1.395,1252 1.425,1253 0.363,1254 1.424,1255 1.078,1256 1.037,1257 1.205,1258 1.406,1259 0.264,1260 1.322,1261 4.419,1263 5.753,1264 2.398,1265 7.268,1266 4.595,1267 8.864,1268 6.605,1269 10.505,1273 38.853,1277 0.527,1278 8.392,1283 -4.502,1289 39.229,1290 99.418,1291 211.633,1292 271.746,1293 307.72,1294 313.72,1295 317.72,1296 72.327,1297 8.484,1298 96.24,1299 96.24,1300 29,1301 12.794,1302 4.907,1303 4,1304 56.872,1305 193,1306 186,1307 0.139,1308 237.372,1309 409.1,1310 570.947,1311 71073,1312 5.3,1313 25.83,1314 0.698,1315 0.519,1316 23.33,1317 19.198,1318 17.847,1319 0.435,1320 0.272,1321 10.956,1322 16.99,1323 10.824,1324 8.936,1325 16.636,1326 11.172,1327 16.893,1328 0.291,1329 0.139,1330 14.935,1331 8.08,1332 13.174,1333 0.18,1334 0.075,1335 12.211,1336 5.447,1337 11.171,1338 0.118,1339 0.039,1340 10.653,1341 3.699,1342 8.931,1343 0.076,1344 0.02,1345 8.29,1346 2.41,1347 0.224,1348 113.12,1349 0.19,1350 34.129,1351 0.368,1352 198,1353 777.648,1354 230.914,1355 677.812,1356 902.46,1357 630,1358 230,1359 650.749,1360 256.792,1361 641.074,1362 952.66,1363 602,1364 7.208}
{0 CHEMBL1081205,1 1.709,2 14.486,3 4.731,4 22.383,5 136.139,6 9.341,7 0.718,8 4.121,9 4.232,10 3.879,11 3.716,12 5.324,13 3.716,14 4.59,15 4.729,16 4.262,17 4.099,18 5.815,19 4.076,20 4.826,21 5.005,22 4.377,23 4.214,24 5.995,25 4.153,26 4.832,27 5.038,28 4.193,29 4.107,30 5.962,31 4.053,32 4.806,33 5.017,34 4.132,35 4.062,36 5.963,37 4.025,38 4.76,39 4.945,40 4.209,41 4.112,42 5.96,43 4.072,44 4.795,45 4.993,46 4.208,47 4.149,48 5.981,49 4.092,50 4.783,51 4.987,52 4.107,53 4.144,54 5.867,55 4.057,56 0.105,57 0.842,58 6.698,59 3.901,60 8.42,61 4.389,62 0.33,63 1.317,64 12.779,65 6.481,66 22.288,67 7.554,68 0.519,69 1.554,70 27.484,71 9.306,72 46.264,73 10.79,74 0.438,75 1.539,76 27.035,77 9.504,78 40.954,79 11.559,80 0.612,81 1.512,82 26.201,83 8.595,84 57.528,85 9.709,86 0.487,87 1.452,88 22.047,89 8.547,90 50.873,91 10.017,92 0.559,93 1.51,94 23.721,95 9.094,96 54.645,97 11.157,98 0.455,99 1.473,100 22.635,101 9.464,102 35.955,103 11.892,104 10,105 54,106 0.276,107 0.606,108 0.77,109 0.876,110 0.894,111 0.9,112 3.588,113 0.877,114 -4.49,115 -4.41,116 -4.16,118 46.3,124 1,138 9,139 2,140 4,141 3,142 1,143 1,147 2,154 1,156 1,167 7,170 1,171 3,173 3,174 1,175 5,178 8,181 2,182 4,184 2,186 5,188 7,192 8,197 7,199 1,204 10,206 2,208 6,215 9,218 1,220 3,223 5,227 2,228 2,231 1,232 1,233 2,235 10,239 3,240 1,243 2,247 11,252 3,255 1,256 1,257 1,260 8,264 2455,265 23.894,266 23.894,267 23.894,268 23.894,269 23.894,270 20.369,271 23.602,272 14.216,273 24.569,274 19.303,275 19.303,276 19.303,277 19.303,278 19.303,279 14.051,280 36.351,281 6.83,282 20.533,283 4.046,284 2.002,285 0.987,286 0.333,287 0.222,288 0.185,289 4.297,290 2,294 1,295 1114,296 3.464,299 86.246,300 443.421,303 150.9,307 2.271,308 29.88,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 75.167,320 507,321 4.574,322 3.566,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.228,331 3.305,332 6.111,333 3.787,334 2.854,335 3.876,336 0.657,337 8.968,338 2.703,339 4.17,340 3.171,341 5.958,342 3.731,343 2.782,344 3.803,345 0.247,346 8.38,347 2.586,348 3.898,349 2.806,350 5.509,351 3.507,352 2.523,353 3.446,355 7.367,356 2.483,357 3.803,358 2.724,359 5.367,360 3.437,361 2.493,362 3.146,364 7.012,365 2.323,366 3.572,367 2.413,368 5.245,369 3.151,370 2.215,371 2.923,373 6.575,374 2.019,375 3.472,376 2.313,377 5.191,378 3.005,379 2.082,380 2.839,382 6.259,383 1.918,384 3.267,385 2.185,386 4.659,387 2.8,388 1.822,389 2.496,391 4.997,392 1.711,393 2.925,394 2.124,395 4.354,396 2.431,397 1.498,398 2.1,400 4.061,401 1.399,402 2.917,403 1.599,404 4.04,405 2.418,406 1.448,407 2.087,409 3.521,410 1.394,411 2.82,412 1.531,413 3.785,414 2.306,415 1.414,416 1.948,417 3.186,418 1.198,419 2.659,420 1.201,421 3.59,422 2.152,423 1.178,424 1.733,425 2.68,426 1.146,427 2.5,428 1.006,429 3.471,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 17.062,452 0.487,453 0.797,454 0.023,455 53,456 1.514,457 29,458 0.829,459 24,460 0.686,461 25.405,462 0.726,463 35.138,464 0.651,465 41.282,466 1.179,467 10.595,468 0.303,469 6.452,470 0.184,471 0.103,473 0.316,478 0.793,479 1.313,480 0.541,481 0.839,482 0.613,483 0.766,484 0.708,485 1.125,486 0.671,487 0.879,488 0.582,489 0.897,490 0.98,491 1.035,492 0.89,493 0.983,494 0.976,495 1.027,496 0.999,497 1.28,498 0.884,499 1.111,500 0.876,501 1.058,502 1.334,503 0.889,504 0.838,505 0.799,506 1.473,507 0.859,508 0.938,509 1.081,510 0.733,511 0.98,512 1.06,513 0.968,514 0.704,515 0.905,516 0.712,517 0.917,518 0.699,519 0.951,520 0.692,521 0.872,522 0.78,523 0.966,524 0.761,525 1.062,526 7,527 0.201,528 3.333,529 1.875,530 1.751,531 1,532 0.687,533 0.455,534 0.394,535 0.223,536 20198,537 65844,538 2.141,539 35.2,541 11,542 2,543 3,544 3,549 1.767,550 2.039,551 3.799,552 0.848,558 92.305,559 1.709,560 3.753,561 4.768,562 5.422,563 5.533,564 5.57,565 3.269,566 4.901,567 5.098,568 3.977,569 2366.35,570 8.949,571 38078.4,576 310.764,577 1.271,578 5.076,579 0.179,580 0.006,581 0.062,582 0.035,583 0.036,584 0.021,585 0.014,586 0.009,587 0.009,588 0.006,589 0.378,590 0.17,591 0.75,592 0.45,593 191.525,594 -0.108,595 -0.188,596 0.006,597 -0.023,598 -0.089,599 0.015,600 0.09,601 -0.016,602 -0.015,603 -0.033,604 0.063,605 -0.076,606 -0.025,607 -0.011,608 0.011,609 -0.045,610 -0.07,611 -0.099,612 -0.072,613 -0.278,614 -0.025,615 -0.161,616 0.018,617 -0.081,618 -0.209,619 0.153,620 -0.056,621 0.12,622 -0.166,623 0.079,624 0.005,625 -0.063,626 0.003,627 -0.059,628 0.024,629 -0.034,630 0.141,631 0.109,632 0.031,633 0.016,634 0.155,635 0.01,636 0.067,637 0.113,638 -0.028,639 -0.01,640 -0.027,641 -0.067,642 2.071,643 5.499,644 0.771,645 43.478,646 1.016,647 1.12,648 3.257,649 10.605,650 0.732,651 3.689,652 4.007,653 4.263,654 4.522,655 4.736,656 4.812,657 4.97,658 5.106,659 5.209,660 5.328,661 8.332,662 0.708,663 504.41,664 3.689,665 5.231,666 6.075,667 6.946,668 7.804,669 8.679,670 9.545,671 10.423,672 11.294,673 12.175,674 13,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,715 2,716 54,718 29,719 2,720 39,722 58,723 25,724 23,725 5,726 7,728 5,729 6,730 2,731 1,740 24,741 1,744 1,749 1,753 1,760 19,761 7,762 3,763 10,764 2,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 2,827 35,833 1,834 3,849 2,850 1.9,853 1,858 17.167,859 9.669,860 7.611,861 2.98,863 4.996,864 1.599,865 1.035,866 6.928,867 13.342,868 4.007,869 4.642,870 5.23,871 5.834,872 6.364,873 6.638,874 7.085,875 7.53,876 7.856,877 8.271,878 0.9,879 53,880 12.835,881 5.471,882 7.783,883 24.163,884 19.594,885 2.283,886 79.889,890 188.338,891 162.591,892 105.675,893 78.297,894 25.145,897 162.591,898 291.78,899 105.675,901 38.127,902 103.381,903 130.541,904 50.071,905 30.146,906 129.482,907 78.297,908 188.338,909 268.266,910 25.145,911 78.297,913 188.338,914 25.145,917 71.028,918 128.871,919 146.665,921 188.338,922 130.82,923 240.888,926 188.338,927 32.067,928 131.81,929 54.032,930 153.799,931 188.338,932 130.82,933 240.888,935 0.58,936 0.334,937 0.179,938 0.096,939 26,940 11,941 0.103,942 6,943 1,944 1.074,945 4.689,946 329.445,947 0.074,948 27,949 175.525,954 23.27,955 10.42,956 5.61,957 0.72,958 129.534,959 25.206,960 13.265,964 5.212,966 54.032,967 560.046,968 54,973 12.499,977 -0.404,980 54.873,981 60.492,983 0.297,984 0.652,985 0.829,986 0.942,987 0.961,988 0.968,989 5.226,990 1.822,991 6.047,992 6.259,993 4.691,994 5.33,995 1.897,996 6.825,997 4.572,998 6.44,999 1.498,1000 7.582,1001 4.997,1002 4.205,1003 5.085,1004 1.195,1005 7.618,1006 3.988,1007 7.743,1008 1.448,1009 9.213,1010 4.061,1011 6.256,1012 7.557,1013 2.448,1014 10.709,1015 6.031,1016 9.081,1017 1.414,1018 10.899,1019 3.521,1020 6.581,1021 8.14,1022 2.324,1023 12.331,1024 6.256,1025 10.448,1026 1.178,1027 12.623,1028 3.186,1029 8.082,1030 10.065,1031 3.25,1032 14.922,1033 7.747,1034 11.837,1035 1,1036 14.372,1037 2.68,1038 8.794,1039 11.067,1040 3.407,1041 16.912,1042 8.366,1043 13.243,1044 1,1045 16.14,1046 2.381,1047 10.062,1048 12.749,1049 4.157,1050 19.326,1051 9.612,1052 3.133,1053 0.879,1054 17.922,1055 2.2,1056 10.969,1057 13.977,1058 4.464,1059 21.492,1060 10.436,1061 2.854,1062 10.48,1063 19.716,1064 2.136,1065 12.136,1066 15.546,1067 5.112,1068 23.844,1069 11.569,1070 2.782,1071 8.968,1072 21.519,1073 4.516,1074 13.143,1075 16.897,1076 5.504,1077 26.096,1078 12.5,1079 2.523,1080 8.38,1081 23.331,1082 3.876,1083 14.269,1084 18.416,1085 6.091,1086 28.429,1087 13.583,1088 2.493,1089 7.367,1090 25.15,1091 3.803,1092 15.327,1093 19.834,1094 6.531,1095 30.724,1096 14.572,1097 2.215,1098 7.012,1099 26.976,1100 3.446,1101 16.44,1102 21.334,1103 7.083,1104 33.054,1105 15.634,1106 2.082,1107 6.575,1108 28.806,1109 3.146,1110 17.525,1111 22.788,1112 7.551,1113 35.371,1114 16.655,1115 18774,1116 34126,1117 26.641,1118 39.54,1119 58.536,1120 59.907,1121 58.962,1122 58.2,1123 58.041,1124 79.866,1125 5.121,1126 163.809,1127 54.342,1128 5.443,1129 5.566,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 14.278,1138 1.501,1139 1.536,1140 1.512,1141 1.492,1142 1.488,1143 2.048,1144 0.131,1145 4.2,1146 1.393,1147 4.128,1148 4.18,1149 4.126,1150 3.975,1151 7.431,1152 3.997,1153 3.929,1154 3.958,1155 4.088,1156 3.856,1157 5.117,1158 3.851,1159 3.877,1160 3.919,1161 3.829,1162 3.787,1163 5.042,1164 3.791,1165 3.856,1166 3.887,1167 3.806,1168 3.751,1169 4.896,1170 3.761,1171 3.438,1172 3.481,1173 3.494,1174 3.193,1175 4.745,1176 3.232,1177 3.343,1178 3.423,1179 3.398,1180 3.111,1181 4.492,1182 3.14,1183 3.192,1184 3.253,1185 3.273,1186 3.02,1187 4.439,1188 3.031,1189 2.93,1190 2.986,1191 3.169,1192 2.815,1193 4.331,1194 2.802,1195 0.117,1196 0.091,1197 0.169,1198 0.104,1199 0.08,1200 4.574,1201 0.116,1202 3.566,1203 0.042,1204 6.573,1205 0.269,1206 4.073,1207 0.076,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.875,1220 1.856,1221 1.978,1222 1.99,1223 1.09,1224 1.988,1225 1.854,1226 1.817,1227 1.93,1228 1.961,1229 1.055,1230 1.962,1231 1.737,1232 1.691,1233 1.818,1234 1.893,1235 0.907,1236 1.884,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.267,1244 1.225,1245 1.415,1246 1.56,1247 0.457,1248 1.516,1249 1.155,1250 1.072,1251 1.372,1252 1.423,1253 0.333,1254 1.423,1255 0.961,1256 0.915,1257 1.181,1258 1.124,1259 0.245,1260 1.123,1261 4.369,1263 5.687,1264 2.398,1265 7.191,1266 4.595,1267 8.78,1268 6.605,1269 10.415,1272 11.959,1277 0.581,1278 8.938,1289 38.207,1290 92.305,1291 202.667,1292 257.48,1293 292.764,1294 298.764,1295 300.764,1296 52.7,1297 8.346,1298 96.24,1299 96.24,1300 29,1301 12.712,1302 4.907,1303 4,1304 52.282,1305 173,1306 180,1307 0.143,1308 240.85,1309 404.01,1310 579.435,1311 59117,1312 3.7,1313 24.2,1314 0.691,1315 0.564,1316 25.2,1317 19.755,1318 17.047,1319 0.437,1320 0.292,1321 10.569,1322 15.917,1323 10.319,1324 8.534,1325 17.624,1326 11.406,1327 15.431,1328 0.286,1329 0.156,1330 16.172,1331 8.445,1332 12.873,1333 0.184,1334 0.085,1335 13.788,1336 5.916,1337 10.752,1338 0.118,1339 0.042,1340 11.154,1341 3.797,1342 8.547,1343 0.076,1344 0.022,1345 8.916,1346 2.499,1347 0.229,1348 112.417,1349 0.194,1350 32.622,1351 0.378,1352 186,1353 561.721,1354 232.935,1355 613.456,1356 825.81,1357 572,1358 217,1359 571.475,1360 260.545,1361 600.407,1362 874.99,1363 565,1364 5.602}
{0 CHEMBL1081222,1 1.753,2 11.276,3 3.062,4 9.376,5 109.848,6 8.889,7 0.688,8 3.966,9 4.081,10 3.675,11 3.497,12 5.2,13 3.513,14 4.426,15 4.567,16 4.052,17 3.867,18 5.679,19 3.866,20 4.618,21 4.784,22 4.086,23 3.975,24 5.835,25 3.947,26 4.658,27 4.843,28 4.045,29 3.927,30 5.861,31 3.899,32 4.673,33 4.872,34 3.967,35 3.883,36 5.922,37 3.837,38 4.62,39 4.841,40 3.951,41 3.829,42 5.838,43 3.777,44 4.52,45 4.722,46 3.744,47 3.759,48 5.727,49 3.692,50 4.396,51 4.605,52 3.699,53 3.666,54 5.52,55 3.601,56 0.124,57 0.728,58 6.782,59 3.41,60 10.556,61 3.854,62 0.374,63 1.097,64 13.149,65 5.781,66 25.124,67 6.753,68 0.484,69 1.268,70 19.388,71 7.158,72 39.123,73 8.346,74 0.43,75 1.274,76 20.704,77 7.431,78 33.471,79 8.989,80 0.675,81 1.243,82 22.844,83 7.542,84 60.126,85 9.104,86 0.531,87 1.144,88 23.633,89 7.877,90 56.72,91 10.057,92 0.537,93 1.036,94 23.026,95 7.043,96 58.898,97 8.423,98 0.4,99 0.936,100 16.862,101 6.277,102 32.794,103 7.86,104 18,105 45,106 0.296,107 0.661,108 0.813,109 0.899,110 0.907,111 0.907,112 3.408,113 0.846,114 -3.44,115 -3.42,116 -3.27,118 43.5,123 1,138 7,139 1,140 4,141 1,142 1,143 1,147 2,154 1,156 1,158 1,159 1,160 1,167 5,170 1,171 2,172 1,173 3,174 1,175 3,178 7,181 2,182 5,183 2,184 3,186 3,188 4,192 6,197 7,201 1,203 1,204 7,206 2,208 5,213 2,215 6,218 1,220 4,223 2,225 1,227 1,228 3,231 1,232 1,233 1,234 1,235 4,237 1,239 1,240 3,243 2,247 7,252 2,254 1,255 1,256 1,259 1,260 5,264 1336,265 19.627,266 19.627,267 19.627,268 19.627,269 19.627,270 16.853,271 19.031,272 11.472,273 20.268,274 15.758,275 15.758,276 15.758,277 15.758,278 15.758,279 11.519,280 24.801,281 5.387,282 16.764,283 3.77,284 1.601,285 0.704,286 0.19,287 0.147,288 0.147,289 4.103,290 1,293 1,294 1,295 711,296 3.24,299 70.868,300 272.724,303 121.267,307 1.853,308 28.267,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 63.333,320 327,321 4.562,322 3.574,323 6.527,324 4.055,325 3.114,326 4.508,327 1.656,328 10.271,329 2.945,330 4.276,331 3.137,332 6.186,333 3.87,334 2.921,335 3.911,336 0.86,337 9.227,338 2.76,339 4.168,340 3.123,341 6.104,342 3.743,343 2.775,344 3.803,345 0.247,346 8.927,347 2.671,348 3.765,349 2.776,350 5.445,351 3.403,352 2.44,353 3.129,355 7.228,356 2.338,357 3.504,358 2.731,359 5.058,360 3.042,361 2.139,362 2.831,364 5.813,365 1.978,366 3.423,367 2.331,368 4.955,369 2.945,370 2.017,371 2.783,373 5.765,374 1.837,375 3.381,376 2.072,377 4.866,378 2.913,379 1.978,380 2.638,382 5.555,383 1.732,384 2.944,385 1.879,386 4.397,387 2.475,388 1.517,389 2.132,391 4.201,392 1.451,393 2.823,394 1.531,395 4.198,396 2.359,397 1.381,398 1.932,400 3.722,401 1.343,402 2.657,403 1.194,404 3.586,405 2.149,406 1.173,407 1.728,409 2.631,410 1.144,411 2.5,412 1.134,413 3.459,414 1.952,415 1,416 1.5,417 2.352,418 0.949,419 2.121,420 1,421 3.402,422 1.608,423 0.677,424 0.96,425 1.779,426 0.629,427 1.85,428 0.731,429 3.056,430 1.529,431 0.665,432 0.761,433 1.191,434 0.555,435 1.2,436 0.625,437 2.777,438 0.925,443 1.134,444 0.401,445 2.672,446 0.712,447 -0.249,448 -0.306,449 -0.499,450 -0.194,451 13.781,452 0.475,453 0.729,454 0.025,455 43.5,456 1.5,457 23.5,458 0.81,459 20,460 0.69,461 19.445,462 0.671,463 30.019,464 0.653,465 33.283,466 1.148,467 8.825,468 0.304,469 5.204,470 0.179,471 0.141,473 0.356,478 0.896,479 1.327,480 0.6,481 0.908,482 0.757,483 0.793,484 0.85,485 1.071,486 0.672,487 0.842,488 0.586,489 0.819,490 1.047,491 1.001,492 1.037,493 1.004,494 1.023,495 1.012,496 1.087,497 1.306,498 0.906,499 1.131,500 0.921,501 1.07,502 1.042,503 0.995,504 0.978,505 1.019,506 1.389,507 1.061,508 0.878,509 0.96,510 0.743,511 0.928,512 1.126,513 0.889,514 1.258,515 0.85,516 1.338,517 1.033,518 1.554,519 1.069,520 0.924,521 0.846,522 0.826,523 0.885,524 0.945,525 0.955,526 6.5,527 0.147,528 3.111,529 1.938,530 1.84,531 0.913,532 0.577,533 0.293,534 0.287,535 0.202,536 11439,537 36736,538 2.09,539 37,541 10,542 2,543 1,544 4,549 1.718,550 1.955,551 3.476,552 1.697,553 1,554 1,558 80.649,559 1.753,560 3.923,561 4.819,562 5.333,563 5.377,564 5.377,565 2.879,566 4.651,567 4.834,568 3.686,569 1496.54,570 8.406,571 20728.1,573 1,575 1,576 254.084,577 1.416,578 4.788,579 0.203,580 0.006,581 0.069,582 0.043,583 0.044,584 0.025,585 0.016,586 0.009,587 0.01,588 0.008,589 0.433,590 0.17,591 1,592 0.729,593 148.471,594 -0.144,595 -0.164,596 0.007,597 -0.019,598 -0.158,599 0.029,600 0.064,601 0.03,602 0.05,603 0.071,604 0.09,605 0.044,606 -0.082,607 0.063,608 -0.155,609 -0.069,610 -0.116,611 -0.116,612 -0.128,613 -0.291,614 -0.055,615 -0.192,616 -0.016,617 -0.135,618 0.026,620 -0.087,621 -0.078,622 -0.068,623 -0.115,624 0.082,625 -0.03,626 0.202,627 0.063,628 0.114,629 0.138,630 -0.173,631 0.107,632 -0.25,633 -0.037,634 -0.192,635 -0.086,637 0.117,638 0.046,639 0.093,640 -0.056,641 0.045,642 2.097,643 5.434,644 0.724,645 26.687,646 1.019,647 1.127,648 2.209,649 4.878,650 0.704,651 3.497,652 3.829,653 4.094,654 4.369,655 4.554,656 4.615,657 4.673,658 4.779,659 4.812,660 4.883,661 7.046,662 0.686,663 408.88,664 3.497,665 5.043,666 5.894,667 6.777,668 7.642,669 8.526,670 9.396,671 10.28,672 11.153,673 12.038,674 13,678 1,681 2,682 1,684 2,689 1,690 10,691 2,695 7,697 22,708 1,714 1,715 1,716 46,718 23,719 2,720 32,722 49,723 20,724 18,725 5,726 7,728 4,729 5,730 1,731 1,740 19,741 1,744 1,749 1,753 1,757 1,760 17,761 7,762 4,763 9,764 1,766 1,769 6,775 0.75,776 2,784 1,793 1,794 3,797 1,819 3,823 1,824 1,827 29,828 1,834 2,835 1,849 1,850 4.3,853 1,855 1,858 14.833,859 8.493,860 6.361,861 2.401,863 4.222,864 1.548,865 1.021,866 5.466,867 11.929,868 3.807,869 4.457,870 5.063,871 5.686,872 6.205,873 6.509,874 6.899,875 7.324,876 7.57,877 7.921,878 1,879 45,880 10.623,881 4.514,882 7.866,883 19.782,884 15.841,885 2.366,886 68.611,889 1,890 153.024,891 132.878,892 103.776,893 39.149,894 36.145,897 132.878,898 228.318,899 103.776,900 10.883,901 36.022,902 117.326,903 72.202,904 41.534,905 30.146,906 117.711,907 39.149,908 153.024,909 236.654,910 36.145,911 39.149,913 153.024,914 36.145,917 50.827,918 152.256,919 72.72,921 153.024,922 139.921,923 172.027,926 153.024,927 28.519,928 105.646,929 36.022,930 141.762,931 153.024,932 139.921,933 172.027,935 0.582,936 0.343,937 0.191,938 0.101,939 22,940 10,941 0.082,942 4,943 1,944 1.095,945 4.077,946 253.901,947 0.095,948 21,949 140.881,954 19.359,955 8.187,956 4.232,957 0.595,958 138.635,959 17.543,960 8.56,964 3.838,966 68.919,967 464.972,968 44,973 12.434,977 -0.43,980 46.891,981 51.844,983 0.317,984 0.71,985 0.872,986 0.966,987 0.973,988 0.973,989 5.034,990 1.517,991 5.883,992 5.555,993 4.511,994 5.145,995 1.985,996 6.688,997 4.394,998 6.262,999 1.381,1000 7.438,1001 4.201,1002 4.111,1003 4.997,1004 1.195,1005 7.545,1006 3.919,1007 7.579,1008 1.173,1009 9.087,1010 3.722,1011 6.103,1012 7.403,1013 2.508,1014 10.632,1015 5.884,1016 8.931,1017 1,1018 10.791,1019 2.631,1020 6.494,1021 8.067,1022 2.324,1023 12.293,1024 6.201,1025 10.311,1026 0.677,1027 12.53,1028 2.352,1029 7.96,1030 9.948,1031 3.275,1032 14.886,1033 7.643,1034 11.712,1035 0.665,1036 14.293,1037 1.779,1038 8.721,1039 11.01,1040 3.407,1041 16.893,1042 8.334,1043 13.129,1045 16.074,1046 1.191,1047 9.972,1048 12.666,1049 4.165,1050 19.303,1051 9.554,1052 3.114,1053 -0.249,1054 17.868,1056 10.913,1057 13.934,1058 4.464,1059 21.467,1060 10.427,1061 2.921,1062 10.271,1063 19.673,1064 -0.499,1065 12.074,1066 15.49,1067 5.114,1068 23.806,1069 11.549,1070 2.775,1071 9.227,1072 21.486,1073 4.508,1074 13.101,1075 16.865,1076 5.504,1077 26.042,1078 12.512,1079 2.44,1080 8.927,1081 23.307,1082 3.911,1083 14.226,1084 18.378,1085 6.092,1086 28.355,1087 13.592,1088 2.139,1089 7.228,1090 25.133,1091 3.803,1092 15.295,1093 19.809,1094 6.531,1095 30.626,1096 14.599,1097 2.017,1098 5.813,1099 26.964,1100 3.129,1101 16.408,1102 21.305,1103 7.084,1104 32.932,1105 15.662,1106 1.978,1107 5.765,1108 28.799,1109 2.831,1110 17.498,1111 22.765,1112 7.551,1113 35.22,1114 16.692,1115 10817,1116 19527,1117 21.383,1118 32.37,1119 48.195,1120 49.283,1121 49.356,1122 47.712,1123 47.594,1124 65.23,1125 5.526,1126 137.325,1127 44.663,1128 5.438,1129 5.574,1130 6.075,1131 5.124,1132 5.114,1133 7.508,1134 2.912,1135 17.16,1136 4.945,1137 14.188,1138 1.506,1139 1.54,1140 1.542,1141 1.491,1142 1.487,1143 2.038,1144 0.173,1145 4.291,1146 1.396,1147 4.12,1148 4.173,1149 4.095,1150 3.967,1151 7.431,1152 3.989,1153 3.935,1154 3.962,1155 4.008,1156 3.841,1157 5.246,1158 3.845,1159 3.862,1160 3.892,1161 3.824,1162 3.765,1163 4.976,1164 3.776,1165 3.436,1166 3.48,1167 3.488,1168 3.186,1169 4.831,1170 3.225,1171 3.286,1172 3.359,1173 3.316,1174 3.082,1175 4.745,1176 3.11,1177 3.255,1178 3.314,1179 3.207,1180 2.985,1181 4.629,1182 2.996,1183 3.08,1184 3.164,1185 2.974,1186 2.873,1187 4.307,1188 2.889,1189 2.908,1190 2.984,1191 2.887,1192 2.758,1193 4.136,1194 2.754,1195 0.143,1196 0.112,1197 0.204,1198 0.127,1199 0.097,1200 4.562,1201 0.141,1202 3.574,1203 0.052,1204 6.527,1205 0.321,1206 4.055,1207 0.092,1208 3.114,1209 4.508,1210 1.656,1211 10.271,1212 2.945,1213 1.963,1214 1.932,1215 2.041,1216 2.1,1217 1.145,1218 2.079,1219 1.874,1220 1.856,1221 1.945,1222 1.991,1223 1.059,1224 1.979,1225 1.744,1226 1.697,1227 1.827,1228 1.906,1229 0.903,1230 1.896,1231 1.393,1232 1.334,1233 1.566,1234 1.604,1235 0.572,1236 1.593,1237 1.269,1238 1.224,1239 1.549,1240 1.576,1241 0.49,1242 1.54,1243 1.194,1244 1.124,1245 1.398,1246 1.5,1247 0.35,1248 1.512,1249 0.99,1250 0.944,1251 1.22,1252 1.253,1253 0.254,1254 1.247,1255 0.896,1256 0.832,1257 1.149,1258 1.13,1259 0.206,1260 1.127,1261 4.174,1263 5.501,1264 2.398,1265 7.017,1266 4.595,1267 8.621,1268 6.605,1269 10.273,1271 1.519,1272 6.001,1275 5.986,1278 5.524,1279 5.239,1289 31.546,1290 80.649,1291 180.458,1292 221.677,1293 245.329,1294 247.329,1295 247.329,1296 44.323,1297 7.707,1298 106.57,1299 106.57,1300 23,1301 12.573,1302 4.585,1303 3.7,1304 44.844,1305 124,1306 99,1307 0.174,1308 197.933,1309 331.27,1310 474.718,1311 25759,1312 2.2,1313 20.38,1314 0.703,1315 0.557,1316 20.88,1317 16.143,1318 14.029,1319 0.438,1320 0.282,1321 8.52,1322 13.113,1323 8.309,1324 6.904,1325 14.318,1326 9.023,1327 12.78,1328 0.284,1329 0.147,1330 13.188,1331 6.61,1332 10.586,1333 0.179,1334 0.076,1335 10.848,1336 4.461,1337 9.174,1338 0.118,1339 0.04,1340 9.409,1341 3.086,1342 7.033,1343 0.075,1344 0.021,1345 7.285,1346 1.948,1347 0.278,1348 91.586,1349 0.216,1350 27.7,1351 0.468,1352 154,1353 490.588,1354 186.213,1355 506.284,1356 685.58,1357 472,1358 181,1359 490.199,1360 207.788,1361 506.847,1362 737.89,1363 475,1364 5.268}
{0 CHEMBL1081228,1 1.725,2 15.526,3 4.352,4 18.936,5 137.338,6 8.626,7 0.667,8 4.223,9 4.342,10 3.901,11 3.755,12 5.447,13 3.776,14 4.734,15 4.887,16 4.315,17 4.129,18 6.322,19 4.136,20 4.929,21 5.12,22 4.274,23 4.238,24 6.14,25 4.206,26 5.014,27 5.236,28 4.235,29 4.172,30 6.236,31 4.15,32 4.955,33 5.179,34 4.228,35 4.134,36 6.222,37 4.119,38 4.921,39 5.123,40 4.184,41 4.163,42 6.142,43 4.137,44 4.945,45 5.16,46 4.246,47 4.184,48 6.374,49 4.145,50 4.885,51 5.095,52 4.085,53 4.18,54 6.022,55 4.109,56 0.181,57 1.163,58 8.871,59 4.852,60 22.314,61 5.42,62 0.983,63 2.155,64 18.253,65 8.042,66 136.804,67 9.141,68 0.578,69 2.021,70 24.401,71 10.532,72 48.163,73 12.904,74 0.85,75 2.128,76 31.262,77 10.884,78 98.163,79 13.191,80 0.93,81 1.988,82 29.499,83 9.665,84 83.497,85 12.078,86 0.776,87 1.902,88 26.798,89 10.014,90 95.417,91 11.708,92 1.143,93 1.868,94 28.701,95 10.108,96 154.376,97 13.218,98 0.652,99 1.805,100 25.258,101 10.717,102 69.437,103 13.403,104 18,105 59,106 0.274,107 0.594,108 0.761,109 0.872,110 0.893,111 0.893,112 3.668,113 0.831,114 -4.78,115 -4.7,116 -4.41,118 45,124 2,130 1,138 10,139 4,140 1,141 3,142 1,143 1,147 2,154 1,156 1,167 12,170 1,171 3,173 3,174 1,175 4,178 11,181 2,182 4,184 2,186 6,188 5,192 8,197 7,204 12,206 1,208 7,215 10,218 1,220 5,223 3,227 1,228 3,231 1,233 2,235 10,239 3,240 1,243 1,244 1,247 15,251 1,252 1,255 2,260 13,264 3066,265 25.573,266 25.573,267 25.573,268 25.573,269 25.573,270 22.192,271 26.115,272 15.177,273 26.264,274 20.81,275 20.81,276 20.81,277 20.81,278 20.81,279 15.666,280 39.231,281 7.288,282 21.996,283 4.182,284 2.16,285 1.112,286 0.413,287 0.279,288 0.279,289 4.372,294 1,295 1285,296 4.301,299 96.851,300 497.17,303 169.249,307 2.526,308 50.58,311 0.75,312 0.83,313 0.83,314 0.5,316 0.83,317 1,318 0.68,319 85,320 590,321 4.574,322 4.46,323 7.116,324 4.18,325 3.32,326 4.516,327 3.825,328 11.69,329 2.958,330 4.453,331 3.55,332 6.573,333 4.073,334 3.132,335 3.869,336 1.659,337 10.48,338 2.898,339 4.166,340 3.173,341 6.108,342 3.757,343 2.779,344 3.799,345 0.657,346 8.954,347 2.703,348 3.898,349 2.863,350 5.513,351 3.551,352 2.599,353 3.446,354 0.564,355 7.483,356 2.485,357 3.881,358 2.737,359 5.367,360 3.505,361 2.52,362 3.157,363 0.133,364 7.012,365 2.442,366 3.669,367 2.585,368 5.314,369 3.304,370 2.33,371 3.071,373 6.846,374 2.261,375 3.484,376 2.467,377 5.191,378 3.053,379 2.089,380 2.845,382 6.259,383 2.001,384 3.459,385 2.185,386 4.86,387 3.005,388 2.067,389 2.684,391 5.609,392 1.918,393 2.971,394 1.845,395 4.452,396 2.5,397 1.544,398 2.173,400 4.321,401 1.473,402 2.92,403 1.609,404 4.394,405 2.435,406 1.498,407 2.09,409 4.159,410 1.394,411 2.878,412 1.596,413 3.79,414 2.431,415 1.475,416 1.997,417 3.188,418 1.389,419 2.668,420 1.236,421 3.593,422 2.163,423 1.191,424 1.747,425 2.712,426 1.155,427 2.57,428 1.189,429 3.492,430 2.092,431 1.113,432 1.6,433 2.54,434 1.078,435 2.5,436 1.057,437 3.474,438 1.984,439 1,440 1.5,441 2.382,442 0.983,443 2.5,444 1.006,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.49,452 0.46,453 0.997,454 0.026,455 54.25,456 1.428,457 28.5,458 0.75,459 25.75,460 0.678,461 28.357,462 0.746,463 40.11,464 0.668,465 46.957,466 1.236,467 11.176,468 0.294,469 7.172,470 0.189,471 0.068,472 0.029,473 0.28,476 3,478 0.645,479 1.089,480 0.645,481 0.999,482 0.581,483 0.86,484 0.479,485 0.816,486 0.775,487 0.947,488 0.391,489 0.951,490 0.657,491 0.946,492 0.915,493 1.128,494 0.593,495 1.117,496 1.069,497 1.089,498 1.048,499 1.045,500 0.986,501 1.032,502 0.913,503 0.809,504 0.967,505 0.859,506 0.836,507 0.897,508 1.036,509 0.927,510 1.092,511 0.996,512 1.014,513 1.037,514 0.48,515 0.614,516 0.844,517 0.824,518 0.412,519 0.915,520 0.615,521 0.766,522 1.028,523 1.074,524 0.604,525 1.166,526 8.5,527 0.211,528 3.778,529 1.938,530 2.018,531 1.104,532 0.791,533 0.569,534 0.26,535 0.318,536 25787,537 86701,538 2.107,539 36.7,541 14,542 2,543 3,544 3,549 1.785,550 1.991,551 3.896,552 0.817,558 103.518,559 1.725,560 3.747,561 4.795,562 5.494,563 5.628,564 5.628,565 3.389,566 4.86,567 5.219,568 4.121,569 2896.86,570 9.179,571 50695.2,576 354.413,577 1.425,578 5.183,579 0.202,580 0.005,581 0.064,582 0.034,583 0.038,584 0.021,585 0.015,586 0.011,587 0.006,588 0.008,589 0.404,590 0.17,591 0.75,592 0.618,593 214.784,594 -0.07,595 -0.138,596 0.023,597 -0.037,598 -0.093,599 0.013,600 0.372,601 0.23,602 0.024,603 0.007,604 0.395,605 -0.073,606 -0.006,607 -0.117,608 -0.054,609 -0.163,610 0.003,611 -0.141,612 -0.151,613 -0.173,614 -0.055,615 -0.086,616 -0.095,617 -0.045,618 -0.038,619 0.06,620 0.013,621 0.072,622 -0.01,623 0.069,624 -0.172,625 -0.038,626 -0.161,627 -0.034,628 -0.148,629 -0.072,630 0.267,631 0.177,632 0.101,633 0.126,634 0.304,635 0.078,636 0.016,637 0.041,638 -0.128,639 -0.084,640 -0.022,641 -0.141,642 5.739,643 5.314,644 0.711,645 50.756,646 1.026,647 1.141,648 3.553,649 12.623,650 0.686,651 3.761,652 4.094,653 4.317,654 4.564,655 4.787,656 4.844,657 5.03,658 5.112,659 5.22,660 5.318,661 9.198,662 0.679,663 517.56,664 3.761,665 5.313,666 6.151,667 7.027,668 7.882,669 8.76,670 9.624,671 10.504,672 11.373,673 12.254,674 11.7,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,716 60,718 29,719 2,720 42,722 64,723 27,724 23,725 4,726 8,728 5,729 6,731 1,732 1,737 1,740 24,741 3,744 1,749 1,753 1,758 3,760 22,761 10,762 3,763 11,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,825 3,827 38,833 2,834 3,839 1,849 3,850 1.7,853 1,858 19.083,859 10.645,860 8.167,861 3.314,863 5.042,864 1.592,865 1.028,866 7.364,867 13.56,868 4.06,869 4.68,870 5.252,871 5.844,872 6.378,873 6.642,874 7.109,875 7.508,876 7.835,877 8.213,878 1,879 57,880 14.473,881 6.656,882 8.099,883 25.881,884 21.031,885 2.599,886 98.75,890 223.651,891 178.545,892 105.675,894 25.145,895 44.88,897 178.545,898 248.796,899 150.556,901 40.233,902 112.857,903 130.541,904 91.565,905 30.146,906 164.795,907 7.76,908 223.651,909 284.221,910 70.025,913 223.651,914 70.025,917 80.893,918 134.96,919 68.367,921 268.531,922 130.82,923 178.545,926 231.41,927 30.786,928 141.286,929 54.032,930 120.382,931 223.651,932 175.701,933 178.545,935 0.585,936 0.326,937 0.172,938 0.095,939 28,940 12,941 0.109,942 7,943 1,944 1.074,945 4.917,946 363.609,947 0.074,948 27,949 190.666,954 25.405,955 11.016,956 6.373,957 0.687,958 174.414,959 24.646,960 13.203,964 3.2,966 54.032,967 577.897,968 57,973 12.314,977 -0.615,980 61.53,981 68.453,983 0.292,984 0.634,985 0.812,986 0.93,987 0.953,988 0.953,989 5.293,990 2.067,991 6.151,992 6.259,993 4.779,994 5.368,995 3.298,996 6.959,997 4.672,998 6.514,999 1.544,1000 7.71,1001 5.609,1002 4.443,1003 5.147,1004 3.949,1005 8.003,1006 4.199,1007 7.826,1008 1.498,1009 9.379,1010 4.321,1011 6.409,1012 7.58,1013 5.467,1014 11.02,1015 6.173,1016 9.174,1017 1.475,1018 11.115,1019 4.159,1020 6.889,1021 8.172,1022 6.701,1023 12.902,1024 6.494,1025 10.552,1026 1.191,1027 12.898,1028 3.188,1029 8.347,1030 10.081,1031 8.066,1032 15.493,1033 7.942,1034 11.953,1035 1.113,1036 14.714,1037 2.712,1038 9.196,1039 11.083,1040 9.391,1041 17.706,1042 8.633,1043 13.371,1044 1,1045 16.555,1046 2.54,1047 10.462,1048 12.758,1049 10.736,1050 20.175,1051 9.857,1052 3.32,1053 1,1054 18.415,1055 2.382,1056 11.484,1057 13.985,1058 12.075,1059 22.519,1060 10.731,1061 3.132,1062 11.69,1063 20.291,1064 2.2,1065 12.679,1066 15.55,1067 13.417,1068 24.956,1069 11.857,1070 2.779,1071 10.48,1072 22.179,1073 4.516,1074 13.781,1075 16.9,1076 14.758,1077 27.353,1078 12.823,1079 2.599,1080 8.954,1081 24.077,1082 3.869,1083 14.955,1084 18.417,1085 16.1,1086 29.786,1087 13.907,1088 2.52,1089 7.483,1090 25.985,1091 3.799,1092 16.096,1093 19.834,1094 17.441,1095 32.207,1096 14.919,1097 2.33,1098 7.012,1099 27.899,1100 3.446,1101 17.266,1102 21.333,1103 18.783,1104 34.642,1105 15.988,1106 2.089,1107 6.846,1108 29.819,1109 3.157,1110 18.426,1111 22.787,1112 20.124,1113 37.075,1114 17.025,1115 24127,1116 44537,1117 28.315,1118 41.159,1119 63.841,1120 63.754,1121 63.047,1122 63.233,1123 63.059,1124 84.684,1125 13.677,1126 180.748,1127 59.672,1128 5.472,1129 6.46,1130 6.918,1131 5.251,1132 5.32,1133 7.516,1134 5.335,1135 18.667,1136 4.958,1137 17.498,1138 1.52,1139 1.518,1140 1.501,1141 1.506,1142 1.501,1143 2.016,1144 0.326,1145 4.304,1146 1.421,1147 4.13,1148 4.181,1149 4.101,1150 3.982,1151 8.513,1152 4.002,1153 3.951,1154 3.984,1155 3.909,1156 3.855,1157 7.999,1158 3.86,1159 3.887,1160 3.923,1161 3.827,1162 3.798,1163 7.999,1164 3.804,1165 3.868,1166 3.91,1167 3.805,1168 3.757,1169 7.431,1170 3.766,1171 3.53,1172 3.583,1173 3.489,1174 3.267,1175 5.114,1176 3.305,1177 3.355,1178 3.434,1179 3.309,1180 3.136,1181 4.897,1182 3.164,1183 3.307,1184 3.362,1185 3.257,1186 3.047,1187 4.74,1188 3.077,1189 3.203,1190 3.262,1191 3.115,1192 2.994,1193 4.707,1194 3.022,1195 0.109,1196 0.106,1197 0.169,1198 0.1,1199 0.079,1200 4.574,1201 0.108,1202 4.46,1203 0.091,1204 7.116,1205 0.278,1206 4.18,1207 0.07,1208 3.32,1209 4.516,1210 3.825,1211 11.69,1212 2.958,1213 1.977,1214 1.947,1215 2.064,1216 2.108,1217 1.203,1218 2.09,1219 1.904,1220 1.878,1221 2,1222 2.019,1223 1.101,1224 2.011,1225 1.858,1226 1.819,1227 1.981,1228 1.981,1229 1.097,1230 1.985,1231 1.751,1232 1.704,1233 1.836,1234 1.915,1235 0.948,1236 1.903,1237 1.401,1238 1.341,1239 1.57,1240 1.68,1241 0.684,1242 1.641,1243 1.386,1244 1.328,1245 1.56,1246 1.613,1247 0.578,1248 1.603,1249 1.161,1250 1.093,1251 1.409,1252 1.443,1253 0.451,1254 1.425,1255 1.121,1256 1.062,1257 1.275,1258 1.421,1259 0.308,1260 1.365,1261 4.443,1263 5.771,1264 2.398,1265 7.281,1266 4.595,1267 8.873,1268 6.605,1269 10.509,1273 38.764,1277 0.714,1278 8.447,1283 -4.489,1289 40.756,1290 103.518,1291 224.816,1292 287.684,1293 329.659,1294 337.659,1295 337.659,1296 75.25,1297 8.519,1298 96.24,1299 96.24,1300 29,1301 12.792,1302 4.907,1303 4,1304 59.309,1305 210,1306 195,1307 0.133,1308 246.964,1309 426.4,1310 594.352,1311 76258,1312 5,1313 26.537,1314 0.698,1315 0.524,1316 24.037,1317 19.905,1318 18.347,1319 0.437,1320 0.277,1321 11.409,1322 17.487,1323 11.26,1324 9.297,1325 17.136,1326 11.629,1327 17.234,1328 0.292,1329 0.143,1330 15.277,1331 8.429,1332 13.506,1333 0.183,1334 0.077,1335 12.543,1336 5.707,1337 11.192,1338 0.118,1339 0.04,1340 10.674,1341 3.847,1342 9.128,1343 0.077,1344 0.021,1345 8.488,1346 2.549,1347 0.216,1348 116.166,1349 0.188,1350 35.067,1351 0.347,1352 202,1353 781.648,1354 234.581,1355 681.673,1356 906.46,1357 634,1358 234,1359 650.186,1360 260.625,1361 641.336,1362 952.4,1363 602,1364 5.167}
{0 CHEMBL1081312,1 1.489,2 7.958,3 2.304,4 5.309,5 92.691,6 7.79,7 0.714,8 3.866,9 4.003,10 3.491,11 3.399,12 4.96,13 3.4,14 4.407,15 4.584,16 3.888,17 3.84,18 5.44,19 3.815,20 4.643,21 4.878,22 3.879,23 3.889,24 5.601,25 3.835,26 4.61,27 4.859,28 3.871,29 3.839,30 5.648,31 3.801,32 4.502,33 4.713,34 3.767,35 3.819,36 5.509,37 3.769,38 4.489,39 4.694,40 3.756,41 3.813,42 5.553,43 3.754,44 4.569,45 4.813,46 3.609,47 3.763,48 5.529,49 3.667,50 4.503,51 4.8,52 3.246,53 3.543,54 5.388,55 3.395,56 0.062,57 0.723,58 7.957,59 3.144,60 8.736,61 4.265,62 0.179,63 1.171,64 15.127,65 5.744,66 16.883,67 7.983,68 0.198,69 1.331,70 21.872,71 7.058,72 23.12,73 10.536,74 0.403,75 1.29,76 21.926,77 6.297,78 35.715,79 9.404,80 0.221,81 1.2,82 17.915,83 5.727,84 23.036,85 8.266,86 0.248,87 1.192,88 17.375,89 5.998,90 29.147,91 8.497,92 0.221,93 1.181,94 20.587,95 6.635,96 28.31,97 9.852,98 0.339,99 0.99,100 21.629,101 6.355,102 36.932,103 9.737,104 2,105 41,106 0.257,107 0.658,108 0.792,109 0.834,110 0.834,111 0.834,112 3.231,113 0.882,114 -4.58,115 -4.5,116 -4.23,118 41.5,120 4,126 1,138 2,139 3,141 1,142 1,143 1,144 1,147 1,156 2,158 1,159 1,160 1,161 1,167 6,170 2,171 9,172 1,173 2,175 3,178 6,180 1,181 1,182 8,186 1,188 2,191 3,192 9,194 3,195 3,197 2,199 3,201 1,203 1,204 6,208 1,211 5,213 1,214 2,215 5,217 1,218 2,220 4,223 4,225 3,228 6,231 1,233 3,235 4,237 3,240 2,243 2,244 1,246 1,247 4,257 2,260 2,264 760,265 16.792,266 16.792,267 16.792,268 16.792,269 16.792,270 14.548,271 9.487,272 9.779,273 17.155,274 13.858,275 13.858,276 13.858,277 13.858,278 13.858,279 10.422,280 7.5,281 4.637,282 14.457,283 3.869,284 1.552,285 0.78,286 0.537,287 0.537,288 0.537,289 3.945,292 1,293 1,294 1,295 437,296 2.121,299 139.283,300 102.98,303 160.199,307 1.135,308 17.774,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51.5,320 191,321 4.766,322 3.389,323 7.051,324 4.312,325 3.349,326 4.738,328 12.147,329 3.227,330 4.415,331 2.95,332 6.293,333 3.903,334 2.936,335 4.353,337 9.503,338 2.839,339 3.904,340 2.766,341 6.145,342 3.644,343 2.677,344 3.312,346 8.961,347 2.587,348 3.761,349 2.405,350 5.751,351 3.342,352 2.38,353 3.198,355 7.634,356 2.29,357 3.239,358 2.038,359 5.079,360 2.949,361 1.996,362 2.366,364 5.69,365 1.899,366 3.051,367 1.552,368 4.519,369 2.488,370 1.552,371 2.322,373 4.384,374 1.451,375 3.033,376 1.533,377 4.333,378 2.479,379 1.533,380 2.3,382 4.052,383 1.445,384 2.654,385 1.41,386 4.234,387 2.308,388 1.345,389 1.72,391 3.529,392 1.292,393 2.601,394 1.154,395 3.672,396 2.091,397 1.151,398 1.636,400 2.661,401 1.08,402 2.411,403 0.973,404 3.431,405 1.918,406 0.966,407 1.376,409 2.308,410 0.917,411 1.911,412 0.702,413 3.248,414 1.659,415 0.683,416 0.792,417 1.74,418 0.666,419 1.837,420 0.618,421 3.036,422 1.618,423 0.618,424 0.618,425 1.372,426 0.618,427 1.618,428 0.4,429 3,430 1.339,431 0.395,432 0.584,433 0.983,434 0.372,435 1.061,436 -0.153,437 2.652,438 0.629,439 -0.286,440 -0.364,441 -0.672,442 -0.261,443 0.846,444 -0.589,445 2.461,446 0.372,447 -0.59,448 -0.817,449 -1.644,450 -0.565,451 11.3,452 0.471,453 0.534,454 0.022,455 33.5,456 1.396,457 16.5,458 0.688,459 17,460 0.708,461 18.11,462 0.755,463 24.7,464 0.602,465 21.894,466 0.912,467 6.092,468 0.254,469 5.718,470 0.238,471 0.035,473 0.389,478 0.935,479 1.279,480 0.738,481 0.979,482 0.944,483 0.853,484 0.768,485 1.116,486 0.802,487 1.013,488 0.598,489 0.931,490 0.966,491 1.255,492 0.864,493 1.058,494 0.697,495 0.964,496 1.1,497 0.771,498 0.857,499 0.688,500 0.983,501 0.726,502 1.284,503 1.116,504 1.114,505 1.034,506 1.151,507 1.044,508 1.031,509 1.085,510 1.133,511 1.152,512 1.299,513 1.158,514 1.082,515 1.19,516 1.148,517 1.206,518 1.356,519 1.191,520 1.052,521 0.785,522 1.138,523 0.96,524 1.288,525 1.045,526 3.5,528 2.889,529 1.764,530 1.522,531 0.716,532 0.469,533 0.348,534 0.148,535 0.047,536 6351,537 14821,538 2.262,539 41.5,540 4,541 3,542 1,543 2,544 3,546 4,549 1.676,550 2.182,551 3.02,552 1.039,553 1,554 1,556 1,558 61.034,559 1.489,560 3.805,561 4.577,562 4.821,563 4.821,564 4.821,565 2.44,566 4.22,567 4.558,568 3.145,569 868.043,570 7.902,571 9735.16,572 1,573 1,575 1,576 219.66,577 1.175,578 4.543,579 0.125,581 0.07,582 0.045,583 0.039,584 0.02,585 0.014,586 0.012,587 0.008,588 0.005,589 0.339,590 0.33,591 0.88,592 0.382,593 110.695,594 -0.028,595 -0.089,596 0.063,597 0.013,598 -0.035,599 0.046,600 0.148,601 -0.005,602 0.061,603 -0.022,604 0.177,606 0.002,607 -0.269,608 0.1,609 -0.082,610 0.158,611 0.006,612 0.078,613 0.247,614 0.138,615 0.235,616 0.112,617 0.203,618 -0.244,619 -0.048,620 -0.197,621 -0.082,622 -0.182,623 -0.124,624 -0.029,625 -0.013,626 -0.229,627 -0.191,628 -0.131,629 -0.233,630 -0.118,631 -0.221,632 -0.178,633 -0.233,634 -0.218,635 -0.218,636 -0.026,637 0.091,638 -0.077,639 0.002,640 -0.108,641 -0.037,642 1.201,643 2.168,644 0.958,645 17.167,646 1.003,647 1.136,648 3.347,649 11.2,650 0.679,651 3.367,652 3.738,653 4.111,654 4.466,655 4.682,656 4.883,657 5.081,658 5.268,659 5.328,660 5.384,661 5.036,662 0.653,663 319.41,664 3.367,665 4.934,666 5.832,667 6.746,668 7.662,669 8.584,670 9.507,671 10.433,672 11.359,673 12.288,674 17.1,678 1,682 2,684 4,689 4,690 5,691 4,692 1,695 3,696 1,697 20,708 1,716 41,718 20,720 28,722 45,723 17,724 12,728 5,729 7,735 5,738 5,740 12,741 5,756 1,757 1,760 17,761 5,762 3,763 7,769 7,775 0.6,785 1,787 1,788 1,789 1,793 3,794 2,797 2,819 3,827 24,828 1,833 4,837 1,858 11,859 7.333,860 5.111,861 2.626,863 3.983,864 1.515,865 1.081,866 3.068,867 11.719,868 3.664,869 4.363,870 5.091,871 5.796,872 6.355,873 6.837,874 7.362,875 7.89,876 8.22,877 8.651,878 1,879 39,880 8.85,881 3.92,882 7.563,883 17.239,884 15.011,885 2.063,886 49.5,889 1,890 164.795,891 72.651,892 118.479,897 72.651,898 164.795,899 118.479,901 10.138,902 60.897,903 93.992,904 47.316,905 14.099,906 129.482,908 164.795,909 191.13,913 117.711,914 47.084,917 52.554,918 71.557,919 67.02,921 164.795,922 118.479,923 72.651,926 164.795,927 26.985,928 47.442,929 16.786,930 99.917,931 164.795,932 118.479,933 72.651,935 0.589,936 0.362,937 0.212,938 0.108,939 24,940 9,941 0.044,942 2,943 2,944 1.174,945 3.633,946 219.375,947 0.174,948 23,949 106.039,954 13.937,955 5.283,956 2.139,957 3.55,958 99.917,959 9.302,960 17.992,961 3.111,964 2.212,965 2.039,966 49.683,967 355.925,968 38,980 41.131,981 46.564,983 0.278,984 0.71,985 0.854,986 0.9,987 0.9,988 0.9,989 4.913,990 1.345,991 5.826,992 4.052,993 4.419,994 5.05,996 6.706,997 4.338,998 6.145,999 1.151,1000 7.419,1001 3.529,1002 4.007,1003 4.956,1005 7.722,1006 3.897,1007 7.481,1008 0.966,1009 9.116,1010 2.661,1011 6.066,1012 7.401,1014 10.895,1015 5.914,1016 8.863,1017 0.683,1018 10.877,1019 2.308,1020 6.553,1021 8.224,1023 12.785,1024 6.372,1025 10.282,1026 0.618,1027 12.678,1028 1.74,1029 8.038,1030 10.1,1032 15.47,1033 7.816,1034 11.728,1035 0.395,1036 14.509,1037 1.372,1038 8.916,1039 11.326,1041 17.706,1042 8.663,1043 13.194,1044 -0.286,1045 16.359,1046 0.983,1047 10.195,1048 12.989,1050 20.243,1051 9.903,1052 3.349,1053 -0.59,1054 18.225,1055 -0.672,1056 11.245,1057 14.392,1059 22.624,1060 10.919,1061 2.936,1062 12.147,1063 20.102,1064 -1.644,1065 12.454,1066 15.973,1068 25.12,1069 12.09,1070 2.677,1071 9.503,1072 21.99,1073 4.738,1074 13.579,1075 17.452,1077 27.562,1078 13.179,1079 2.38,1080 8.961,1081 23.885,1082 4.353,1083 14.768,1084 19.004,1086 30.05,1087 14.33,1088 1.996,1089 7.634,1090 25.787,1091 3.312,1092 15.928,1093 20.516,1095 32.52,1096 15.454,1097 1.552,1098 5.69,1099 27.695,1100 3.198,1101 17.114,1102 22.058,1104 35.008,1105 16.602,1106 1.533,1107 4.384,1108 29.608,1109 2.366,1110 18.292,1111 23.586,1113 37.491,1114 17.743,1115 5770,1116 8972,1117 19.592,1118 27.847,1119 43.113,1120 43.039,1121 43.439,1122 43.217,1123 43.162,1124 58.631,1126 129.925,1127 41.363,1128 5.668,1129 5.389,1130 6.646,1131 5.387,1132 5.349,1133 7.738,1135 19.687,1136 5.201,1137 5.845,1138 1.54,1139 1.537,1140 1.551,1141 1.543,1142 1.541,1143 2.094,1145 4.64,1146 1.477,1147 4.173,1148 4.219,1149 4.149,1150 4.042,1151 5.26,1152 4.062,1153 4.024,1154 4.075,1155 3.987,1156 3.873,1157 5.058,1158 3.895,1159 3.793,1160 3.851,1161 3.667,1162 3.677,1163 4.848,1164 3.669,1165 3.413,1166 3.477,1167 3.35,1168 3.256,1169 4.517,1170 3.27,1171 3.219,1172 3.31,1173 3.135,1174 2.938,1175 4.312,1176 2.979,1177 2.976,1178 3.082,1179 2.869,1180 2.72,1181 4.158,1182 2.744,1183 2.869,1184 2.979,1185 2.746,1186 2.671,1187 3.866,1188 2.642,1189 2.852,1190 2.937,1191 2.583,1192 2.619,1193 3.664,1194 2.635,1195 0.17,1196 0.121,1197 0.252,1198 0.154,1199 0.12,1200 4.766,1201 0.169,1202 3.389,1204 7.051,1205 0.434,1206 4.312,1207 0.115,1208 3.349,1209 4.738,1211 12.147,1212 3.227,1213 1.924,1214 1.898,1215 1.976,1216 2.041,1217 1.243,1218 2.021,1219 1.789,1220 1.743,1221 1.888,1222 1.985,1223 1.211,1224 1.955,1225 1.59,1226 1.532,1227 1.86,1228 1.791,1229 1.107,1230 1.793,1231 1.577,1232 1.507,1233 1.746,1234 1.751,1235 0.852,1236 1.78,1237 1.464,1238 1.396,1239 1.639,1240 1.691,1241 0.611,1242 1.686,1243 1.179,1244 1.126,1245 1.286,1246 1.392,1247 0.364,1248 1.372,1249 0.913,1250 0.819,1251 1.179,1252 1.245,1253 0.125,1254 1.237,1255 0.769,1256 0.695,1257 0.998,1258 1.083,1259 0.094,1260 1.07,1261 4.043,1263 5.398,1264 3.434,1265 6.948,1266 5.733,1267 8.592,1268 7.803,1269 10.289,1275 6.168,1277 4.738,1281 0.388,1289 26.784,1290 61.034,1291 156.011,1292 187.66,1293 197.66,1294 197.66,1295 197.66,1296 27.997,1297 7.736,1298 98.3,1299 98.3,1300 27,1301 12.792,1302 4.392,1303 3.459,1304 30.081,1305 71,1306 66,1307 0.208,1308 161.014,1309 253.14,1310 384.635,1311 22600,1313 16.096,1314 0.671,1315 0.546,1316 16.096,1317 13.106,1318 11.81,1319 0.422,1320 0.294,1321 8.12,1322 11.361,1323 8.011,1324 6.597,1325 11.81,1326 8.233,1327 10.782,1328 0.263,1329 0.154,1330 10.782,1331 6.328,1332 9.878,1333 0.165,1334 0.081,1335 9.878,1336 4.862,1337 8.93,1338 0.104,1339 0.043,1340 8.93,1341 3.67,1342 6.856,1343 0.064,1344 0.02,1345 6.856,1346 2.11,1347 0.312,1348 73.909,1349 0.226,1350 22.753,1351 0.622,1352 138,1353 353.871,1354 150.933,1355 351.69,1356 506.05,1357 332,1358 170,1359 403.73,1360 184.793,1361 407.791,1362 606.58,1363 386,1364 6.721}
{0 CHEMBL1081402,1 1.709,2 13.857,3 4.731,4 22.383,5 136.139,6 9.341,7 0.718,8 4.121,9 4.232,10 3.879,11 3.716,12 5.325,13 3.716,14 4.59,15 4.729,16 4.262,17 4.099,18 5.813,19 4.076,20 4.827,21 5.005,22 4.352,23 4.209,24 5.988,25 4.155,26 4.842,27 5.037,28 4.351,29 4.154,30 6.007,31 4.093,32 4.813,33 5.016,34 4.255,35 4.07,36 6.08,37 4.042,38 4.759,39 4.945,40 4.146,41 4.116,42 5.908,43 4.069,44 4.794,45 4.993,46 4.225,47 4.17,48 5.943,49 4.11,50 4.793,51 4.985,52 4.164,53 4.173,54 5.908,55 4.083,56 0.105,57 0.842,58 6.698,59 3.901,60 8.42,61 4.389,62 0.33,63 1.317,64 12.779,65 6.481,66 22.29,67 7.554,68 0.513,69 1.541,70 24.39,71 9.206,72 43.68,73 10.834,74 0.488,75 1.524,76 32.389,77 9.758,78 46.134,79 11.449,80 0.743,81 1.499,82 28.089,83 8.656,84 73.253,85 9.723,86 0.424,87 1.455,88 22.007,89 8.584,90 43.885,91 9.976,92 0.475,93 1.51,94 22.285,95 9.104,96 45.713,97 11.135,98 0.497,99 1.452,100 26.044,101 9.669,102 39.806,103 11.793,104 10,105 54,106 0.276,107 0.606,108 0.77,109 0.864,110 0.876,111 0.876,112 3.588,113 0.878,114 -4.49,115 -4.41,116 -4.16,118 46.3,124 1,138 9,139 2,140 4,141 3,142 1,143 1,147 2,154 1,156 1,167 8,170 1,171 3,173 3,174 1,175 3,178 8,181 2,182 4,184 2,186 8,188 4,192 6,197 5,199 3,204 13,206 2,208 8,215 9,218 1,220 3,223 1,227 2,228 1,231 1,232 1,233 1,235 12,239 3,240 1,243 2,247 15,252 1,255 1,256 1,257 1,260 9,264 2400,265 23.947,266 23.947,267 23.947,268 23.947,269 23.947,270 20.394,271 21.303,272 14.265,273 24.605,274 19.297,275 19.297,276 19.297,277 19.297,278 19.297,279 14.032,280 30.591,281 6.819,282 20.483,283 4.046,284 2.002,285 0.987,286 0.407,287 0.333,288 0.333,289 4.297,290 2,294 1,295 1064,296 3.464,299 85.05,300 438.475,303 148.719,307 2.212,308 30.527,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 75.167,320 485,321 4.574,322 3.596,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.343,331 3.282,332 6.408,333 3.904,334 2.988,335 3.996,336 0.657,337 9.731,338 2.719,339 4.171,340 3.171,341 6.11,342 3.753,343 2.784,344 3.803,345 0.247,346 8.965,347 2.66,348 3.898,349 2.804,350 5.444,351 3.506,352 2.521,353 3.446,355 7.223,356 2.484,357 3.758,358 2.724,359 5.367,360 3.395,361 2.433,362 3.126,364 7.012,365 2.322,366 3.486,367 2.623,368 5.191,369 3.012,370 2.086,371 2.853,373 6.259,374 1.956,375 3.42,376 2.331,377 4.841,378 2.984,379 2.004,380 2.68,382 5.482,383 1.917,384 3.232,385 2.185,386 4.828,387 2.707,388 1.879,389 2.481,391 5.104,392 1.442,393 2.943,394 1.599,395 4.38,396 2.459,397 1.498,398 2.135,400 4.133,401 1.441,402 2.92,403 1.598,404 3.934,405 2.431,406 1.49,407 2.09,409 3.275,410 1.394,411 2.845,412 1.531,413 3.783,414 2.359,415 1.368,416 1.984,417 3.183,418 1.35,419 2.659,420 1.215,421 3.59,422 2.152,423 1.177,424 1.732,425 2.676,426 1.145,427 2.5,428 1.2,429 3.471,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1.006,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 17.062,452 0.487,453 0.78,454 0.022,455 53,456 1.514,457 29,458 0.829,459 24,460 0.686,461 25.73,462 0.735,463 35.138,464 0.651,465 41.49,466 1.185,467 10.61,468 0.303,469 6.454,470 0.184,471 0.103,473 0.316,478 0.793,479 1.313,480 0.541,481 0.839,482 0.611,483 0.766,484 0.708,485 1.125,486 0.671,487 0.879,488 0.592,489 0.897,490 0.945,491 1.043,492 0.933,493 1.012,494 0.979,495 1.017,496 1.125,497 1.265,498 1.009,499 1.101,500 0.975,501 1.049,502 1.146,503 0.901,504 0.851,505 0.888,506 1.21,507 0.869,508 1.113,509 1.07,510 0.824,511 0.955,512 1.226,513 0.981,514 0.836,515 0.88,516 0.687,517 0.793,518 0.795,519 0.875,520 0.873,521 0.869,522 1.076,523 1.055,524 0.899,525 1.117,526 6.5,527 0.122,528 3.556,529 2,530 1.991,531 0.833,532 0.768,533 0.431,534 0.362,535 0.284,536 19830,537 63460,538 2.141,539 35.2,541 11,542 2,543 3,544 3,549 1.767,550 2.039,551 3.721,552 0.848,558 92.305,559 1.709,560 3.753,561 4.768,562 5.347,563 5.422,564 5.422,565 3.19,566 4.729,567 5.1,568 3.931,569 2339.15,570 8.955,571 37387.5,576 310.764,577 1.271,578 5.076,579 0.167,580 0.004,581 0.066,582 0.037,583 0.04,584 0.017,585 0.016,586 0.008,587 0.008,588 0.007,589 0.369,590 0.17,591 0.75,592 0.45,593 190.904,594 -0.108,595 -0.188,596 0.006,597 -0.023,598 -0.087,599 0.015,600 0.09,601 -0.016,602 -0.015,603 -0.033,604 0.052,605 -0.076,606 0.01,607 -0.018,608 -0.033,609 -0.074,610 -0.073,611 -0.089,612 -0.095,613 -0.271,614 0.026,615 -0.126,616 -0.013,617 -0.079,618 0.038,619 0.136,620 0.024,621 0.042,622 0.139,623 0.064,624 -0.173,625 -0.052,626 -0.089,627 -0.033,628 -0.145,629 -0.048,630 0.006,631 0.135,632 0.057,633 0.143,634 0.057,635 0.088,636 -0.008,637 0.107,638 -0.144,639 -0.075,640 -0.093,641 -0.131,642 2.13,643 5.566,644 0.771,645 41.763,646 1.016,647 1.12,648 3.257,649 10.605,650 0.732,651 3.689,652 4.007,653 4.277,654 4.543,655 4.745,656 4.796,657 4.963,658 5.106,659 5.226,660 5.333,661 8.147,662 0.708,663 504.41,664 3.689,665 5.231,666 6.08,667 6.954,668 7.816,669 8.694,670 9.564,671 10.445,672 11.319,673 12.201,674 13,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,715 2,716 54,718 29,719 2,720 39,722 58,723 25,724 23,725 5,726 7,728 5,729 6,730 2,731 1,740 24,741 1,744 1,749 1,753 1,760 19,761 7,762 3,763 10,764 2,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 2,827 35,833 1,834 3,849 2,850 1.9,853 1,858 17.167,859 9.669,860 7.639,861 2.987,863 5.056,864 1.606,865 1.035,866 6.928,867 13.402,868 4.007,869 4.642,870 5.238,871 5.842,872 6.364,873 6.624,874 7.076,875 7.53,876 7.871,877 8.271,878 1,879 54,880 12.844,881 5.485,882 7.783,883 24.163,884 19.599,885 2.283,886 79.889,890 188.338,891 162.591,892 105.675,893 78.297,894 25.145,897 162.591,898 291.78,899 105.675,901 38.127,902 103.381,903 130.541,904 50.071,905 30.146,906 129.482,907 78.297,908 188.338,909 268.266,910 25.145,911 78.297,913 188.338,914 25.145,917 71.028,918 128.871,919 146.665,921 188.338,922 130.82,923 240.888,926 188.338,927 32.067,928 131.81,929 54.032,930 153.799,931 188.338,932 130.82,933 240.888,935 0.579,936 0.337,937 0.186,938 0.098,939 26,940 11,941 0.103,942 6,943 1,944 1.074,945 4.654,946 331.936,947 0.074,948 27,949 169.525,954 23.27,955 10.42,956 5.445,957 0.716,958 129.534,959 25.269,960 13.261,964 4.897,966 54.032,967 560.046,968 54,973 12.566,977 -0.463,980 54.873,981 60.492,983 0.297,984 0.652,985 0.829,986 0.929,987 0.942,988 0.942,989 5.226,990 1.879,991 6.052,992 5.482,993 4.691,994 5.33,995 1.897,996 6.843,997 4.572,998 6.44,999 1.498,1000 7.594,1001 5.104,1002 4.205,1003 5.085,1004 1.195,1005 7.678,1006 3.988,1007 7.745,1008 1.49,1009 9.236,1010 4.133,1011 6.263,1012 7.561,1013 2.448,1014 10.784,1015 6.036,1016 9.086,1017 1.368,1018 10.937,1019 3.275,1020 6.608,1021 8.159,1022 2.324,1023 12.463,1024 6.277,1025 10.458,1026 1.177,1027 12.677,1028 3.183,1029 8.111,1030 10.082,1031 3.25,1032 15.065,1033 7.767,1034 11.853,1035 1,1036 14.444,1037 2.676,1038 8.85,1039 11.101,1040 3.407,1041 17.1,1042 8.404,1043 13.266,1044 1,1045 16.231,1046 2.381,1047 10.121,1048 12.78,1049 4.157,1050 19.523,1051 9.648,1052 3.133,1053 0.879,1054 18.032,1055 2.2,1056 11.053,1057 14.021,1058 4.464,1059 21.714,1060 10.485,1061 2.988,1062 10.48,1063 19.846,1064 2.136,1065 12.225,1066 15.588,1067 5.112,1068 24.071,1069 11.616,1070 2.784,1071 9.731,1072 21.669,1073 4.516,1074 13.251,1075 16.946,1076 5.504,1077 26.333,1078 12.556,1079 2.521,1080 8.965,1081 23.499,1082 3.996,1083 14.384,1084 18.463,1085 6.091,1086 28.666,1087 13.638,1088 2.433,1089 7.223,1090 25.335,1091 3.803,1092 15.456,1093 19.883,1094 6.531,1095 30.96,1096 14.631,1097 2.086,1098 7.012,1099 27.177,1100 3.446,1101 16.575,1102 21.381,1103 7.083,1104 33.287,1105 15.694,1106 2.004,1107 6.259,1108 29.022,1109 3.126,1110 17.67,1111 22.835,1112 7.551,1113 35.598,1114 16.716,1115 18431,1116 33189,1117 26.641,1118 39.54,1119 58.563,1120 59.879,1121 59.177,1122 58.311,1123 58.142,1124 79.987,1125 5.121,1126 164.561,1127 54.43,1128 5.449,1129 5.596,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 13.979,1138 1.502,1139 1.535,1140 1.517,1141 1.495,1142 1.491,1143 2.051,1144 0.131,1145 4.22,1146 1.396,1147 4.128,1148 4.18,1149 4.118,1150 3.975,1151 7.431,1152 3.997,1153 3.93,1154 3.958,1155 4.08,1156 3.857,1157 5.116,1158 3.852,1159 3.877,1160 3.919,1161 3.825,1162 3.787,1163 5.016,1164 3.791,1165 3.856,1166 3.887,1167 3.806,1168 3.75,1169 4.896,1170 3.76,1171 3.434,1172 3.481,1173 3.582,1174 3.187,1175 4.744,1176 3.224,1177 3.342,1178 3.423,1179 3.398,1180 3.102,1181 4.632,1182 3.135,1183 3.191,1184 3.253,1185 3.256,1186 3.016,1187 4.438,1188 3.028,1189 2.917,1190 2.988,1191 3.098,1192 2.849,1193 4.116,1194 2.815,1195 0.117,1196 0.092,1197 0.169,1198 0.104,1199 0.08,1200 4.574,1201 0.116,1202 3.596,1203 0.042,1204 6.573,1205 0.269,1206 4.073,1207 0.076,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.875,1220 1.856,1221 1.978,1222 1.988,1223 1.09,1224 1.988,1225 1.854,1226 1.817,1227 1.928,1228 1.958,1229 1.055,1230 1.96,1231 1.737,1232 1.691,1233 1.819,1234 1.893,1235 0.907,1236 1.885,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.272,1244 1.224,1245 1.421,1246 1.573,1247 0.458,1248 1.53,1249 1.155,1250 1.072,1251 1.394,1252 1.423,1253 0.349,1254 1.423,1255 0.962,1256 0.914,1257 1.181,1258 1.13,1259 0.247,1260 1.126,1261 4.369,1263 5.687,1264 2.398,1265 7.195,1266 4.595,1267 8.792,1268 6.605,1269 10.436,1272 12.296,1277 0.577,1278 8.863,1289 38.207,1290 92.305,1291 202.667,1292 257.48,1293 288.764,1294 292.764,1295 292.764,1296 54.028,1297 8.346,1298 96.24,1299 96.24,1300 29,1301 12.737,1302 4.907,1303 4,1304 52.236,1305 170,1306 168,1307 0.145,1308 240.85,1309 404.01,1310 579.435,1311 59117,1312 3.7,1313 24.2,1314 0.691,1315 0.564,1316 25.2,1317 19.755,1318 17.064,1319 0.438,1320 0.293,1321 10.575,1322 15.925,1323 10.328,1324 8.541,1325 17.641,1326 11.412,1327 15.346,1328 0.284,1329 0.156,1330 16.088,1331 8.413,1332 12.886,1333 0.181,1334 0.082,1335 13.603,1336 5.831,1337 10.99,1338 0.118,1339 0.043,1340 11.707,1341 4.017,1342 8.682,1343 0.076,1344 0.022,1345 9.129,1346 2.498,1347 0.232,1348 112.518,1349 0.194,1350 32.499,1351 0.389,1352 186,1353 561.721,1354 232.935,1355 613.245,1356 826.37,1357 572,1358 218,1359 572.475,1360 258.719,1361 601.077,1362 877.86,1363 566,1364 6}
{0 CHEMBL1081403,1 1.686,2 14,3 4.05,4 16.405,5 137.797,6 8.621,7 0.7,8 4.187,9 4.301,10 3.878,11 3.736,12 5.381,13 3.743,14 4.663,15 4.813,16 4.235,17 4.106,18 5.86,19 4.094,20 4.866,21 5.044,22 4.269,23 4.218,24 6,25 4.174,26 4.913,27 5.113,28 4.24,29 4.171,30 6.029,31 4.13,32 4.939,33 5.153,34 4.232,35 4.163,36 6.109,37 4.122,38 4.9,39 5.103,40 4.27,41 4.188,42 6.074,43 4.143,44 4.894,45 5.093,46 4.174,47 4.199,48 6.044,49 4.141,50 4.851,51 5.053,52 4.137,53 4.184,54 5.927,55 4.11,56 0.097,57 0.906,58 8.973,59 4.455,60 9.054,61 5.245,62 0.398,63 1.399,64 17.487,65 7.321,66 28.663,67 8.78,68 0.49,69 1.633,70 25.632,71 9.555,72 41.749,73 11.713,74 0.439,75 1.671,76 27.85,77 9.856,78 40.772,79 12.437,80 0.782,81 1.694,82 30.797,83 9.677,84 67.227,85 12.088,86 0.525,87 1.624,88 28.441,89 10.144,90 57.461,91 12.894,92 0.613,93 1.618,94 30.595,95 10.021,96 65.273,97 12.35,98 0.474,99 1.563,100 25.121,101 10.143,102 37.829,103 13.004,104 11,105 55,106 0.269,107 0.622,108 0.797,109 0.889,110 0.894,111 0.894,112 3.615,113 0.859,114 -3.75,115 -3.71,116 -3.53,118 44.8,123 1,124 1,138 9,139 2,140 4,141 3,142 1,143 1,147 2,154 1,156 1,167 7,170 1,171 4,173 3,174 1,175 4,178 8,181 2,182 6,184 3,186 5,188 4,192 7,197 7,203 1,204 11,206 3,208 5,215 10,218 1,220 4,223 3,227 2,228 3,231 1,232 1,233 1,235 8,239 3,240 3,243 2,247 12,252 3,255 1,256 1,257 1,260 8,264 2598,265 24.764,266 24.764,267 24.764,268 24.764,269 24.764,270 21.292,271 25.581,272 14.762,273 25.51,274 19.751,275 19.751,276 19.751,277 19.751,278 19.751,279 14.482,280 38.15,281 6.998,282 20.908,283 4.172,284 1.96,285 0.863,286 0.289,287 0.254,288 0.254,289 4.324,290 1,294 1,295 1101,296 3.606,299 88.384,300 454.33,303 154.432,307 2.278,308 30.338,311 1,312 0.67,313 1,314 0.6,316 1,317 1,318 0.75,319 77.833,320 504,321 4.574,322 3.574,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.276,331 3.172,332 6.186,333 3.87,334 2.921,335 3.911,336 0.86,337 9.228,338 2.762,339 4.17,340 3.126,341 6.11,342 3.752,343 2.781,344 3.803,345 0.657,346 8.962,347 2.685,348 3.898,349 2.805,350 5.445,351 3.506,352 2.521,353 3.446,354 0.247,355 7.229,356 2.484,357 3.765,358 2.734,359 5.367,360 3.403,361 2.44,362 3.129,364 7.012,365 2.339,366 3.509,367 2.721,368 5.191,369 3.043,370 2.14,371 2.86,373 6.259,374 1.978,375 3.47,376 2.331,377 4.955,378 3.004,379 2.084,380 2.812,382 5.812,383 1.917,384 3.389,385 2.185,386 4.866,387 2.941,388 2,389 2.639,391 5.556,392 1.732,393 2.945,394 1.879,395 4.404,396 2.475,397 1.517,398 2.133,400 4.208,401 1.451,402 2.92,403 1.599,404 4.201,405 2.431,406 1.498,407 2.09,409 3.726,410 1.394,411 2.823,412 1.531,413 3.784,414 2.359,415 1.381,416 1.932,417 3.186,418 1.343,419 2.658,420 1.201,421 3.59,422 2.151,423 1.175,424 1.73,425 2.676,426 1.145,427 2.5,428 1.134,429 3.47,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1.006,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 17.181,452 0.477,453 0.759,454 0.021,455 54.25,456 1.507,457 29.5,458 0.819,459 24.75,460 0.688,461 26.037,462 0.723,463 36.819,464 0.635,465 43.657,466 1.213,467 11.007,468 0.306,469 6.578,470 0.183,471 0.09,473 0.314,478 0.855,479 1.362,480 0.611,481 0.962,482 0.644,483 0.836,484 0.919,485 1.076,486 0.745,487 0.869,488 0.653,489 0.863,490 1.006,491 1.059,492 1.021,493 1.044,494 1.021,495 1.041,496 1.072,497 1.313,498 0.906,499 1.121,500 0.917,501 1.061,502 1.107,503 0.897,504 0.932,505 0.851,506 1.321,507 0.898,508 0.911,509 1.067,510 0.781,511 0.969,512 1.079,513 0.929,514 1.171,515 0.856,516 1.181,517 0.937,518 1.385,519 0.973,520 0.777,521 0.872,522 0.833,523 0.956,524 0.781,525 1.022,526 7,527 0.18,528 3.333,529 1.875,530 1.951,531 1.118,532 0.687,533 0.462,534 0.366,535 0.257,536 21385,537 64475,538 2.137,539 37.9,541 14,542 2,543 3,544 3,549 1.774,550 2.038,551 3.752,552 0.828,558 97.792,559 1.686,560 3.898,561 4.995,562 5.569,563 5.604,564 5.604,565 3.226,566 4.892,567 5.141,568 3.971,569 2501.73,570 9.037,571 41016.9,576 339.763,577 1.256,578 5.118,579 0.175,580 0.005,581 0.061,582 0.034,583 0.038,584 0.022,585 0.013,586 0.009,587 0.008,588 0.006,589 0.37,590 0.33,591 0.75,592 0.586,593 198.356,594 -0.097,595 -0.219,596 0.024,597 -0.062,598 -0.082,600 0.028,601 0.029,602 0.003,603 0.039,604 0.052,605 0.001,606 -0.044,607 -0.012,608 -0.122,609 -0.097,610 -0.107,611 -0.12,612 -0.096,613 -0.298,614 -0.027,615 -0.178,616 -0.015,617 -0.113,618 0.01,619 0.134,620 -0.022,621 0.076,622 -0.018,623 0.038,624 0.037,625 -0.073,626 0.11,627 -0.002,628 0.108,629 0.046,630 -0.144,631 0.156,632 -0.184,633 0.032,634 -0.145,635 -0.018,636 0.039,637 0.122,638 -0.016,639 0.017,640 -0.019,641 -0.037,642 2.092,643 5.66,644 0.75,645 44.296,646 1.013,647 1.124,648 2.518,649 6.338,650 0.705,651 3.714,652 4.025,653 4.29,654 4.564,655 4.779,656 4.852,657 4.977,658 5.13,659 5.231,660 5.357,661 8.369,662 0.683,663 500,664 3.714,665 5.252,666 6.098,667 6.971,668 7.832,669 8.709,670 9.577,671 10.458,672 11.33,673 12.213,674 12.1,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,714 1,715 1,716 58,718 29,719 2,720 40,722 62,723 26,724 23,725 5,726 7,728 5,729 6,730 1,731 1,740 24,741 2,744 1,749 1,753 1,760 22,761 8,762 3,763 10,764 1,766 1,769 7,775 0.8,776 2,784 1,787 1,793 1,794 4,797 1,819 4,823 1,824 1,827 36,833 1,834 3,835 1,849 1,850 3.4,853 1,855 1,858 17.667,859 10.693,860 7.944,861 3.152,863 5.083,864 1.604,865 1.021,866 7.209,867 13.501,868 4.025,869 4.652,870 5.246,871 5.855,872 6.386,873 6.659,874 7.086,875 7.54,876 7.868,877 8.281,878 1,879 55,880 13.211,881 5.581,882 7.758,883 24.911,884 20.004,885 2.258,886 81.278,890 223.651,891 175.217,892 105.675,893 39.149,894 36.145,897 175.217,898 298.944,899 105.675,900 10.883,901 38.127,902 103.381,903 130.541,904 62.814,905 30.146,906 164.795,907 39.149,908 223.651,909 280.892,910 36.145,911 39.149,913 223.651,914 36.145,917 71.028,918 141.497,919 107.516,921 223.651,922 141.82,923 214.365,926 223.651,927 33.81,928 142.693,929 54.032,930 125.65,931 223.651,932 141.82,933 214.365,935 0.575,936 0.334,937 0.186,938 0.101,939 26,940 11,941 0.113,942 7,943 1,944 1.074,945 4.736,946 343.39,947 0.074,948 27,949 182.117,954 23.914,955 10.852,956 5.724,957 0.719,958 140.534,959 25.338,960 13.287,964 5.346,966 54.032,967 579.836,968 55,973 12.66,977 -0.426,980 58.76,981 65.173,983 0.288,984 0.665,985 0.853,986 0.951,987 0.957,988 0.957,989 5.242,990 2,991 6.066,992 5.812,993 4.71,994 5.34,995 2.097,996 6.849,997 4.602,998 6.451,999 1.517,1000 7.601,1001 5.556,1002 4.205,1003 5.085,1004 1.195,1005 7.662,1006 4.031,1007 7.753,1008 1.498,1009 9.233,1010 4.208,1011 6.275,1012 7.564,1013 2.538,1014 10.757,1015 6.072,1016 9.091,1017 1.381,1018 10.923,1019 3.726,1020 6.594,1021 8.147,1022 2.324,1023 12.406,1024 6.326,1025 10.458,1026 1.175,1027 12.651,1028 3.186,1029 8.104,1030 10.073,1031 3.281,1032 14.999,1033 7.808,1034 11.848,1035 1,1036 14.405,1037 2.676,1038 8.819,1039 11.077,1040 3.407,1041 17.011,1042 8.456,1043 13.256,1044 1,1045 16.178,1046 2.381,1047 10.092,1048 12.758,1049 4.166,1050 19.425,1051 9.695,1052 3.133,1053 0.879,1054 17.967,1055 2.2,1056 11.005,1057 13.989,1058 4.464,1059 21.603,1060 10.541,1061 2.921,1062 10.48,1063 19.768,1064 2.136,1065 12.176,1066 15.557,1067 5.114,1068 23.953,1069 11.671,1070 2.781,1071 9.228,1072 21.578,1073 4.516,1074 13.189,1075 16.91,1076 5.504,1077 26.207,1078 12.617,1079 2.521,1080 8.962,1081 23.396,1082 3.911,1083 14.319,1084 18.428,1085 6.092,1086 28.536,1087 13.699,1088 2.44,1089 7.229,1090 25.221,1091 3.803,1092 15.381,1093 19.847,1094 6.531,1095 30.827,1096 14.696,1097 2.14,1098 7.012,1099 27.052,1100 3.446,1101 16.497,1102 21.346,1103 7.084,1104 33.152,1105 15.759,1106 2.084,1107 6.259,1108 28.887,1109 3.129,1110 17.586,1111 22.8,1112 7.551,1113 35.463,1114 16.784,1115 19945,1116 34812,1117 27.334,1118 40.898,1119 59.68,1120 60.821,1121 60.391,1122 59.216,1123 59.105,1124 80.896,1125 6.841,1126 166.567,1127 55.749,1128 5.45,1129 5.574,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 14.422,1138 1.492,1139 1.521,1140 1.51,1141 1.48,1142 1.478,1143 2.022,1144 0.171,1145 4.164,1146 1.394,1147 4.128,1148 4.18,1149 4.103,1150 3.975,1151 7.431,1152 3.998,1153 3.935,1154 3.963,1155 4.008,1156 3.841,1157 5.116,1158 3.845,1159 3.878,1160 3.919,1161 3.826,1162 3.787,1163 4.975,1164 3.791,1165 3.857,1166 3.889,1167 3.806,1168 3.75,1169 4.895,1170 3.76,1171 3.436,1172 3.482,1173 3.488,1174 3.189,1175 4.745,1176 3.227,1177 3.343,1178 3.424,1179 3.319,1180 3.105,1181 4.629,1182 3.137,1183 3.255,1184 3.314,1185 3.249,1186 3.019,1187 4.438,1188 3.031,1189 3.191,1190 3.253,1191 3.096,1192 2.983,1193 4.148,1194 2.994,1195 0.114,1196 0.089,1197 0.164,1198 0.102,1199 0.078,1200 4.574,1201 0.113,1202 3.574,1203 0.041,1204 6.573,1205 0.262,1206 4.073,1207 0.074,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.875,1220 1.857,1221 1.978,1222 1.998,1223 1.09,1224 1.991,1225 1.854,1226 1.817,1227 1.944,1228 1.971,1229 1.059,1230 1.971,1231 1.737,1232 1.691,1233 1.819,1234 1.898,1235 0.907,1236 1.886,1237 1.401,1238 1.341,1239 1.566,1240 1.613,1241 0.579,1242 1.603,1243 1.27,1244 1.225,1245 1.56,1246 1.577,1247 0.572,1248 1.54,1249 1.194,1250 1.124,1251 1.419,1252 1.5,1253 0.458,1254 1.513,1255 1.155,1256 1.072,1257 1.389,1258 1.423,1259 0.347,1260 1.423,1261 4.394,1263 5.707,1264 2.398,1265 7.21,1266 4.595,1267 8.802,1268 6.605,1269 10.441,1271 1.528,1272 6.061,1277 0.58,1278 8.983,1279 5.29,1289 39.621,1290 97.792,1291 226.056,1292 289.724,1293 323.008,1294 325.008,1295 325.008,1296 53.816,1297 8.418,1298 105.47,1299 105.47,1300 29,1301 12.749,1302 4.907,1303 4,1304 54.499,1305 180,1306 177,1307 0.143,1308 246.106,1309 414.89,1310 592.259,1311 64954,1312 1.7,1313 24.907,1314 0.692,1315 0.556,1316 25.407,1317 20.029,1318 17.585,1319 0.44,1320 0.286,1321 10.921,1322 16.564,1323 10.662,1324 8.858,1325 17.874,1326 11.451,1327 15.644,1328 0.284,1329 0.151,1330 16.052,1331 8.283,1332 13.062,1333 0.181,1334 0.078,1335 13.324,1336 5.644,1337 11.214,1338 0.118,1339 0.041,1340 11.449,1341 3.867,1342 8.915,1343 0.076,1344 0.021,1345 9.167,1346 2.521,1347 0.229,1348 113.585,1349 0.191,1350 33.281,1351 0.382,1352 190,1353 583.254,1354 224.294,1355 597.565,1356 814.73,1357 560,1358 222,1359 585.157,1360 251.286,1361 604.162,1362 878.23,1363 567,1364 7.114}
{0 CHEMBL1081568,1 1.709,2 13.914,3 4.731,4 22.383,5 136.139,6 9.341,7 0.718,8 4.121,9 4.232,10 3.879,11 3.716,12 5.324,13 3.716,14 4.59,15 4.729,16 4.262,17 4.099,18 5.822,19 4.076,20 4.825,21 5.005,22 4.268,23 4.203,24 5.961,25 4.142,26 4.833,27 5.038,28 4.351,29 4.123,30 6,31 4.072,32 4.81,33 5.017,34 4.132,35 4.078,36 5.966,37 4.036,38 4.762,39 4.945,40 4.267,41 4.108,42 6.019,43 4.075,44 4.794,45 4.993,46 4.146,47 4.153,48 5.924,49 4.09,50 4.783,51 4.987,52 4.149,53 4.152,54 5.878,55 4.068,56 0.105,57 0.842,58 6.698,59 3.901,60 8.42,61 4.389,62 0.33,63 1.317,64 12.779,65 6.481,66 22.3,67 7.554,68 0.489,69 1.55,70 25.293,71 9.282,72 44.149,73 10.786,74 0.48,75 1.538,76 28.775,77 9.49,78 42.818,79 11.587,80 0.616,81 1.505,82 28.009,83 8.729,84 59.186,85 9.641,86 0.551,87 1.449,88 22.088,89 8.511,90 57.906,91 10.058,92 0.496,93 1.513,94 23.681,95 9.13,96 47.634,97 11.116,98 0.445,99 1.471,100 21.937,101 9.451,102 34.995,103 11.901,104 10,105 54,106 0.276,107 0.606,108 0.77,109 0.864,110 0.87,111 0.876,112 3.588,113 0.877,114 -4.49,115 -4.41,116 -4.16,118 46.3,124 1,138 9,139 2,140 4,141 3,142 1,143 1,147 2,154 1,156 1,167 6,170 1,171 3,173 3,174 1,175 5,178 12,181 2,182 4,184 2,186 4,188 2,192 8,197 9,199 3,204 9,206 2,208 4,215 11,218 1,220 5,223 5,227 2,228 1,231 1,232 1,233 1,235 8,239 3,240 1,243 2,247 13,252 3,255 1,256 1,257 1,260 9,264 2438,265 23.842,266 23.842,267 23.842,268 23.842,269 23.842,270 20.345,271 24.638,272 14.259,273 24.555,274 19.352,275 19.352,276 19.352,277 19.352,278 19.352,279 14.088,280 38.634,281 6.888,282 20.587,283 4.046,284 2.002,285 0.987,286 0.407,287 0.37,288 0.333,289 4.297,290 2,294 1,295 1068,296 3.464,299 85.821,300 441.625,303 150.122,307 2.264,308 29.987,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 75.167,320 487,321 4.574,322 3.566,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.195,331 3.172,332 6.111,333 3.781,334 2.825,335 3.824,336 0.657,337 8.968,338 2.703,339 4.156,340 3.129,341 5.717,342 3.71,343 2.761,344 3.798,345 0.247,346 8.088,347 2.588,348 3.898,349 2.805,350 5.433,351 3.506,352 2.522,353 3.446,355 7.206,356 2.483,357 3.776,358 2.724,359 5.367,360 3.407,361 2.454,362 3.134,364 7.012,365 2.317,366 3.514,367 2.623,368 5.191,369 3.076,370 2.131,371 2.862,373 6.259,374 1.989,375 3.462,376 2.346,377 5.012,378 3.004,379 2.079,380 2.782,382 6.019,383 1.918,384 3.232,385 2.238,386 4.618,387 2.707,388 1.879,389 2.481,391 4.963,392 1.611,393 3.159,394 2.185,395 4.578,396 2.699,397 1.736,398 2.37,400 4.792,401 1.441,402 2.923,403 1.599,404 4.342,405 2.431,406 1.498,407 2.094,409 4.039,410 1.395,411 2.915,412 1.531,413 3.785,414 2.412,415 1.441,416 2.081,417 3.186,418 1.392,419 2.659,420 1.201,421 3.59,422 2.152,423 1.177,424 1.732,425 2.679,426 1.145,427 2.5,428 1.006,429 3.471,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 17.062,452 0.487,453 0.814,454 0.023,455 53,456 1.514,457 29,458 0.829,459 24,460 0.686,461 25.446,462 0.727,463 35.138,464 0.651,465 41.354,466 1.182,467 10.58,468 0.302,469 6.45,470 0.184,471 0.103,473 0.316,478 0.793,479 1.313,480 0.541,481 0.839,482 0.615,483 0.766,484 0.708,485 1.125,486 0.671,487 0.879,488 0.559,489 0.897,490 1.077,491 1.037,492 1.063,493 1.051,494 1.082,495 1.076,496 0.838,497 1.281,498 0.65,499 1.025,500 0.75,501 0.98,502 1.484,503 0.88,504 1.026,505 0.839,506 1.59,507 0.894,508 0.763,509 1.091,510 0.643,511 1.005,512 0.863,513 0.955,514 0.872,515 0.895,516 0.799,517 0.893,518 0.873,519 0.964,520 0.674,521 0.865,522 0.724,523 0.916,524 0.722,525 1.017,526 7.5,527 0.213,528 2.667,529 2.25,530 1.671,531 1.056,532 0.605,533 0.493,534 0.37,535 0.211,536 20078,537 65092,538 2.141,539 35.2,541 11,542 2,543 3,544 3,549 1.767,550 2.039,551 3.745,552 0.848,558 92.305,559 1.709,560 3.753,561 4.768,562 5.347,563 5.385,564 5.422,565 3.233,566 4.729,567 5.099,568 3.958,569 2354.98,570 8.952,571 37857.3,576 310.764,577 1.271,578 5.076,579 0.192,580 0.006,581 0.049,582 0.043,583 0.033,584 0.022,585 0.012,586 0.01,587 0.008,588 0.005,589 0.382,590 0.17,591 0.75,592 0.45,593 191.328,594 -0.108,595 -0.188,596 0.006,597 -0.023,598 -0.091,599 0.015,600 0.09,601 -0.016,602 -0.015,603 -0.033,604 0.086,605 -0.076,606 -0.124,607 -0.013,608 -0.166,609 -0.114,610 -0.178,611 -0.149,612 0.092,613 -0.279,614 0.213,615 -0.074,616 0.146,617 -0.002,618 -0.306,619 0.157,620 -0.154,621 0.092,622 -0.249,623 0.038,624 0.183,625 -0.074,626 0.096,627 -0.085,628 0.225,629 -0.021,630 -0.03,631 0.12,632 -0.057,633 0.041,634 -0.022,635 -0.002,636 0.085,637 0.12,638 0.03,639 0.041,640 0.013,641 -0.021,642 2.085,643 5.516,644 0.771,645 42.942,646 1.016,647 1.12,648 3.257,649 10.605,650 0.732,651 3.689,652 4.007,653 4.248,654 4.543,655 4.727,656 4.828,657 4.949,658 5.118,659 5.204,660 5.333,661 8.268,662 0.708,663 504.41,664 3.689,665 5.231,666 6.071,667 6.946,668 7.799,669 8.679,670 9.539,671 10.423,672 11.287,673 12.174,674 13,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,715 2,716 54,718 29,719 2,720 39,722 58,723 25,724 23,725 5,726 7,728 5,729 6,730 2,731 1,740 24,741 1,744 1,749 1,753 1,760 19,761 7,762 3,763 10,764 2,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 2,827 35,833 1,834 3,849 2,850 1.9,853 1,858 17.167,859 9.669,860 7.583,861 2.973,863 5.004,864 1.6,865 1.035,866 6.928,867 13.35,868 4.007,869 4.642,870 5.222,871 5.847,872 6.357,873 6.651,874 7.068,875 7.538,876 7.854,877 8.273,878 1,879 52,880 12.836,881 5.471,882 7.783,883 24.163,884 19.59,885 2.283,886 79.889,890 188.338,891 162.591,892 105.675,893 78.297,894 25.145,897 162.591,898 291.78,899 105.675,901 38.127,902 103.381,903 130.541,904 50.071,905 30.146,906 129.482,907 78.297,908 188.338,909 268.266,910 25.145,911 78.297,913 188.338,914 25.145,917 71.028,918 128.871,919 146.665,921 188.338,922 130.82,923 240.888,926 188.338,927 32.067,928 131.81,929 54.032,930 153.799,931 188.338,932 130.82,933 240.888,935 0.578,936 0.325,937 0.185,938 0.095,939 26,940 11,941 0.103,942 6,943 1,944 1.074,945 4.682,946 329.908,947 0.074,948 27,949 169.525,954 23.27,955 10.42,956 5.783,957 0.719,958 129.534,959 25.136,960 13.264,964 5.247,966 54.032,967 560.046,968 54,973 12.516,977 -0.418,980 54.873,981 60.492,983 0.297,984 0.652,985 0.829,986 0.929,987 0.936,988 0.942,989 5.226,990 1.879,991 6.043,992 6.019,993 4.691,994 5.33,995 1.897,996 6.817,997 4.572,998 6.44,999 1.736,1000 7.57,1001 4.963,1002 4.205,1003 5.085,1004 1.195,1005 7.582,1006 3.988,1007 7.741,1008 1.498,1009 9.191,1010 4.792,1011 6.248,1012 7.552,1013 2.448,1014 10.682,1015 6.029,1016 9.076,1017 1.441,1018 10.867,1019 4.039,1020 6.553,1021 8.12,1022 2.324,1023 12.282,1024 6.249,1025 10.439,1026 1.177,1027 12.58,1028 3.186,1029 8.059,1030 10.051,1031 3.25,1032 14.883,1033 7.744,1034 11.823,1035 1,1036 14.319,1037 2.679,1038 8.755,1039 11.042,1040 3.407,1041 16.868,1042 8.361,1043 13.224,1044 1,1045 16.078,1046 2.381,1047 10.028,1048 12.729,1049 4.157,1050 19.287,1051 9.609,1052 3.133,1053 0.879,1054 17.854,1055 2.2,1056 10.926,1057 13.952,1058 4.464,1059 21.456,1060 10.433,1061 2.825,1062 10.48,1063 19.643,1064 2.136,1065 12.096,1066 15.524,1067 5.112,1068 23.812,1069 11.567,1070 2.761,1071 8.968,1072 21.443,1073 4.516,1074 13.098,1075 16.874,1076 5.504,1077 26.068,1078 12.499,1079 2.522,1080 8.088,1081 23.252,1082 3.824,1083 14.226,1084 18.396,1085 6.091,1086 28.405,1087 13.582,1088 2.454,1089 7.206,1090 25.07,1091 3.798,1092 15.283,1093 19.814,1094 6.531,1095 30.703,1096 14.571,1097 2.131,1098 7.012,1099 26.896,1100 3.446,1101 16.397,1102 21.315,1103 7.083,1104 33.037,1105 15.634,1106 2.079,1107 6.259,1108 28.728,1109 3.134,1110 17.483,1111 22.771,1112 7.551,1113 35.356,1114 16.655,1115 18661,1116 33823,1117 26.641,1118 39.54,1119 58.553,1120 59.232,1121 58.786,1122 58.164,1123 57.86,1124 79.613,1125 5.121,1126 162.897,1127 54.145,1128 5.444,1129 5.566,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 14.201,1138 1.501,1139 1.519,1140 1.507,1141 1.491,1142 1.484,1143 2.041,1144 0.131,1145 4.177,1146 1.388,1147 4.128,1148 4.18,1149 4.113,1150 3.975,1151 7.431,1152 3.997,1153 3.929,1154 3.958,1155 4.075,1156 3.856,1157 5.116,1158 3.851,1159 3.877,1160 3.919,1161 3.828,1162 3.787,1163 5.021,1164 3.791,1165 3.856,1166 3.887,1167 3.806,1168 3.751,1169 4.896,1170 3.761,1171 3.437,1172 3.481,1173 3.582,1174 3.191,1175 4.745,1176 3.229,1177 3.343,1178 3.423,1179 3.454,1180 3.107,1181 4.632,1182 3.138,1183 3.191,1184 3.253,1185 3.265,1186 3.018,1187 4.438,1188 3.03,1189 2.919,1190 2.987,1191 3.117,1192 2.849,1193 4.223,1194 2.815,1195 0.117,1196 0.091,1197 0.169,1198 0.104,1199 0.08,1200 4.574,1201 0.116,1202 3.566,1203 0.042,1204 6.573,1205 0.269,1206 4.073,1207 0.076,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.875,1220 1.856,1221 1.978,1222 1.99,1223 1.09,1224 1.988,1225 1.854,1226 1.817,1227 1.925,1228 1.96,1229 1.055,1230 1.961,1231 1.737,1232 1.691,1233 1.818,1234 1.892,1235 0.907,1236 1.884,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.268,1244 1.225,1245 1.416,1246 1.563,1247 0.457,1248 1.519,1249 1.155,1250 1.072,1251 1.377,1252 1.423,1253 0.34,1254 1.423,1255 0.961,1256 0.915,1257 1.181,1258 1.127,1259 0.246,1260 1.124,1261 4.369,1263 5.687,1264 2.398,1265 7.186,1266 4.595,1267 8.773,1268 6.605,1269 10.406,1272 12.016,1277 0.58,1278 8.92,1289 38.207,1290 92.305,1291 202.667,1292 257.48,1293 288.764,1294 290.764,1295 292.764,1296 52.358,1297 8.346,1298 96.24,1299 96.24,1300 29,1301 12.71,1302 4.907,1303 4,1304 52.26,1305 172,1306 168,1307 0.143,1308 240.85,1309 404.01,1310 579.435,1311 59117,1312 3.7,1313 24.2,1314 0.691,1315 0.564,1316 25.2,1317 19.755,1318 17.03,1319 0.437,1320 0.292,1321 10.563,1322 15.851,1323 10.311,1324 8.526,1325 17.607,1326 11.4,1327 15.581,1328 0.289,1329 0.158,1330 16.397,1331 8.533,1332 12.442,1333 0.18,1334 0.081,1335 12.914,1336 5.556,1337 11.185,1338 0.12,1339 0.044,1340 11.98,1341 4.078,1342 8.361,1343 0.075,1344 0.022,1345 8.65,1346 2.435,1347 0.23,1348 112.316,1349 0.194,1350 32.58,1351 0.382,1352 186,1353 561.721,1354 232.935,1355 613.616,1356 825.17,1357 572,1358 216,1359 570.475,1360 251.833,1361 599.553,1362 871.22,1363 564,1364 5.745}
{0 CHEMBL1081573,1 1.623,2 13.886,3 4.553,4 20.729,5 136.375,6 8.491,7 0.718,8 4.161,9 4.281,10 3.843,11 3.738,12 5.336,13 3.732,14 4.639,15 4.795,16 4.21,17 4.118,18 5.818,19 4.09,20 4.862,21 5.048,22 4.229,23 4.229,24 5.968,25 4.169,26 4.915,27 5.133,28 4.186,29 4.169,30 5.997,31 4.107,32 4.91,33 5.14,34 4.167,35 4.136,36 6.025,37 4.085,38 4.843,39 5.033,40 4.197,41 4.149,42 6.052,43 4.104,44 4.834,45 5.044,46 4.13,47 4.178,48 5.933,49 4.113,50 4.826,51 5.03,52 4.097,53 4.188,54 5.893,55 4.098,56 0.063,57 0.893,58 9.075,59 4.35,60 8.447,61 5.339,62 0.296,63 1.399,64 17.099,65 7.255,66 24.586,67 9.236,68 0.367,69 1.652,70 25.94,71 9.69,72 38.322,73 12.25,74 0.341,75 1.697,76 28.981,77 10.068,78 39.8,79 13.253,80 0.493,81 1.652,82 30.78,83 9.866,84 54.275,85 12.607,86 0.536,87 1.544,88 29.154,89 9.254,90 66.811,91 11.221,92 0.421,93 1.585,94 25.919,95 9.627,96 46.416,97 12.59,98 0.368,99 1.56,100 24.101,101 9.968,102 33.689,103 13.108,104 10,105 54,106 0.26,107 0.609,108 0.793,109 0.887,110 0.892,111 0.892,112 3.588,113 0.872,114 -4.49,115 -4.41,116 -4.16,118 45.6,119 1,124 1,138 9,139 3,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 9,170 1,171 3,173 3,174 1,175 5,178 11,181 2,182 4,184 2,186 6,188 6,192 8,197 8,199 1,204 11,206 2,208 6,211 1,215 10,218 1,220 4,223 5,227 2,228 1,231 1,232 1,233 1,235 12,239 3,240 1,243 2,247 15,252 3,255 1,256 1,257 1,260 9,264 2421,265 23.894,266 23.894,267 23.894,268 23.894,269 23.894,270 20.369,271 23.63,272 14.242,273 24.467,274 19.313,275 19.313,276 19.313,277 19.313,278 19.313,279 14.056,280 35.295,281 6.849,282 20.29,283 4.21,284 2.03,285 0.878,286 0.294,287 0.259,288 0.259,289 4.297,290 1,294 1,295 1066,296 3.464,299 85.435,300 440.05,303 149.42,307 2.238,308 26.879,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 74.833,320 486,321 4.574,322 3.571,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.254,331 3.171,332 6.114,333 3.86,334 2.893,335 3.892,336 0.657,337 8.98,338 2.792,339 4.168,340 3.061,341 6.09,342 3.751,343 2.778,344 3.803,345 0.247,346 8.857,347 2.689,348 3.898,349 2.805,350 5.44,351 3.506,352 2.521,353 3.446,355 7.209,356 2.484,357 3.764,358 2.724,359 5.367,360 3.401,361 2.436,362 3.129,364 7.012,365 2.341,366 3.505,367 2.624,368 5.191,369 3.043,370 2.125,371 2.859,373 6.259,374 1.979,375 3.465,376 2.329,377 4.935,378 3.004,379 2.082,380 2.8,382 5.775,383 1.917,384 3.362,385 2.185,386 4.814,387 2.914,388 1.96,389 2.615,391 5.361,392 1.73,393 2.94,394 1.664,395 4.387,396 2.463,397 1.499,398 2.127,400 4.158,401 1.445,402 2.92,403 1.599,404 4.105,405 2.431,406 1.494,407 2.09,409 3.587,410 1.394,411 2.803,412 1.531,413 3.784,414 2.345,415 1.355,416 1.912,417 3.186,418 1.336,419 2.658,420 1.201,421 3.59,422 2.151,423 1.175,424 1.73,425 2.676,426 1.145,427 2.5,428 1.006,429 3.47,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.848,452 0.481,453 0.797,454 0.023,455 52.75,456 1.507,457 29,458 0.829,459 23.75,460 0.679,461 25.661,462 0.733,463 35.352,464 0.62,465 41.318,466 1.181,467 10.563,468 0.302,469 6.483,470 0.185,471 0.092,473 0.321,478 0.824,479 1.32,480 0.618,481 0.918,482 0.632,483 0.824,484 0.697,485 1.094,486 0.717,487 0.904,488 0.562,489 0.892,490 1.026,491 1.09,492 1.037,493 1.077,494 1.02,495 1.077,496 1.017,497 1.265,498 0.899,499 1.107,500 0.877,501 1.058,502 1.372,503 0.901,504 0.892,505 0.797,506 1.404,507 0.821,508 1.419,509 1.021,510 1.144,511 1.021,512 1.653,513 0.989,514 0.888,515 0.875,516 0.829,517 0.868,518 0.861,519 0.911,520 0.695,521 0.918,522 0.861,523 1.027,524 0.775,525 1.094,526 7,527 0.168,528 3.333,529 1.875,530 1.911,531 0.944,532 0.687,533 0.462,534 0.366,535 0.247,536 19958,537 57632,538 2.141,539 38.6,540 3,541 11,542 2,543 3,544 3,549 1.767,550 2.039,551 3.746,552 0.82,558 92.504,559 1.623,560 3.803,561 4.955,562 5.539,563 5.574,564 5.574,565 3.223,566 4.786,567 5.099,568 3.946,569 2347.88,570 8.954,571 37632.2,576 332.475,577 1.271,578 5.076,579 0.179,580 0.005,581 0.062,582 0.035,583 0.039,584 0.019,585 0.014,586 0.009,587 0.008,588 0.006,589 0.377,590 0.17,591 0.75,592 0.45,593 191.123,594 -0.09,595 -0.185,596 0.022,597 -0.031,598 -0.084,599 0.013,600 0.149,601 0.012,602 0.022,603 -0.003,604 0.103,605 -0.022,606 -0.064,607 -0.052,608 -0.139,609 -0.133,610 -0.117,611 -0.152,612 -0.053,613 -0.254,614 -0.011,615 -0.162,616 0.008,617 -0.099,618 -0.16,619 0.105,620 0.039,621 0.148,622 -0.058,623 0.135,624 -0.121,625 -0.008,626 -0.134,627 -0.065,628 -0.1,629 -0.066,630 0.007,631 0.139,632 -0.013,633 0.084,634 0.026,635 0.05,636 0.082,637 0.079,638 -0.061,639 -0.06,640 -0.032,641 -0.119,642 2.023,643 5.6,644 0.771,645 42.415,646 1.008,647 1.122,648 3.257,649 10.605,650 0.71,651 3.689,652 4.007,653 4.263,654 4.533,655 4.754,656 4.804,657 4.956,658 5.112,659 5.215,660 5.333,661 8.209,662 0.683,663 484,664 3.689,665 5.231,666 6.075,667 6.948,668 7.808,669 8.684,670 9.551,671 10.43,672 11.302,673 12.184,674 12.3,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,715 1,716 57,718 29,719 2,720 39,722 61,723 26,724 23,725 5,726 7,728 5,729 6,730 1,731 1,732 1,740 24,741 2,744 1,749 1,753 1,760 22,761 7,762 3,763 9,764 1,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,823 1,824 1,827 35,833 1,834 3,849 1,850 1.8,853 1,858 17.167,859 10.526,860 7.611,861 3.194,863 5.03,864 1.603,865 1.031,866 6.728,867 13.377,868 4.007,869 4.642,870 5.23,871 5.838,872 6.372,873 6.631,874 7.072,875 7.534,876 7.862,877 8.272,878 1,879 53,880 12.854,881 5.449,882 7.722,883 24.377,884 19.76,885 2.222,886 77.778,890 223.651,891 171.101,892 105.675,893 39.149,894 25.145,897 171.101,898 287.945,899 105.675,900 8.825,901 38.127,902 103.381,903 130.541,904 49.756,905 30.146,906 164.795,907 39.149,908 223.651,909 276.776,910 25.145,911 39.149,913 223.651,914 25.145,917 79.853,918 128.556,919 107.516,921 223.651,922 130.82,923 210.25,926 223.651,927 31.752,928 140.635,929 54.032,930 114.65,931 223.651,932 130.82,933 210.25,935 0.579,936 0.332,937 0.182,938 0.1,939 26,940 11,941 0.098,942 6,943 1,944 1.074,945 4.67,946 330.796,947 0.074,948 27,949 175.525,954 22.998,955 10.239,956 5.494,957 0.73,958 129.534,959 25.823,960 13.297,964 6.111,966 54.032,967 564.721,968 54,973 12.6,977 -0.356,980 57.432,981 63.963,983 0.278,984 0.652,985 0.849,986 0.95,987 0.956,988 0.956,989 5.226,990 1.96,991 6.047,992 5.775,993 4.691,994 5.33,995 1.897,996 6.828,997 4.597,998 6.44,999 1.499,1000 7.582,1001 5.361,1002 4.205,1003 5.085,1004 1.195,1005 7.627,1006 4.052,1007 7.743,1008 1.494,1009 9.213,1010 4.158,1011 6.256,1012 7.557,1013 2.448,1014 10.723,1015 6.076,1016 9.081,1017 1.355,1018 10.901,1019 3.587,1020 6.581,1021 8.14,1022 2.324,1023 12.357,1024 6.347,1025 10.448,1026 1.175,1027 12.626,1028 3.186,1029 8.084,1030 10.066,1031 3.25,1032 14.952,1033 7.821,1034 11.837,1035 1,1036 14.378,1037 2.676,1038 8.798,1039 11.068,1040 3.407,1041 16.954,1042 8.48,1043 13.244,1044 1,1045 16.149,1046 2.381,1047 10.068,1048 12.751,1049 4.157,1050 19.369,1051 9.716,1052 3.133,1053 0.879,1054 17.935,1055 2.2,1056 10.98,1057 13.98,1058 4.464,1059 21.541,1060 10.57,1061 2.893,1062 10.48,1063 19.733,1064 2.136,1065 12.149,1066 15.549,1067 5.112,1068 23.892,1069 11.699,1070 2.778,1071 8.98,1072 21.54,1073 4.516,1074 13.16,1075 16.901,1076 5.504,1077 26.145,1078 12.65,1079 2.521,1080 8.857,1081 23.356,1082 3.892,1083 14.289,1084 18.42,1085 6.091,1086 28.476,1087 13.733,1088 2.436,1089 7.209,1090 25.179,1091 3.803,1092 15.35,1093 19.839,1094 6.531,1095 30.769,1096 14.734,1097 2.125,1098 7.012,1099 27.008,1100 3.446,1101 16.465,1102 21.338,1103 7.083,1104 33.096,1105 15.798,1106 2.082,1107 6.259,1108 28.842,1109 3.129,1110 17.553,1111 22.793,1112 7.551,1113 35.41,1114 16.825,1115 18550,1116 31692,1117 26.641,1118 40.443,1119 58.548,1120 59.567,1121 58.981,1122 58.16,1123 58.051,1124 79.873,1125 5.121,1126 163.885,1127 55.18,1128 5.447,1129 5.571,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 14.106,1138 1.501,1139 1.527,1140 1.512,1141 1.491,1142 1.488,1143 2.048,1144 0.131,1145 4.202,1146 1.415,1147 4.129,1148 4.18,1149 4.103,1150 3.976,1151 7.431,1152 3.998,1153 3.945,1154 3.977,1155 4.01,1156 3.87,1157 5.115,1158 3.868,1159 3.878,1160 3.919,1161 3.826,1162 3.787,1163 4.938,1164 3.791,1165 3.859,1166 3.895,1167 3.805,1168 3.751,1169 4.895,1170 3.761,1171 3.437,1172 3.483,1173 3.489,1174 3.189,1175 4.745,1176 3.227,1177 3.343,1178 3.424,1179 3.315,1180 3.109,1181 4.439,1182 3.137,1183 3.193,1184 3.256,1185 3.247,1186 3.056,1187 4.38,1188 3.039,1189 3.18,1190 3.251,1191 3.095,1192 3.012,1193 4.113,1194 3.018,1195 0.117,1196 0.092,1197 0.169,1198 0.104,1199 0.08,1200 4.574,1201 0.116,1202 3.571,1203 0.042,1204 6.573,1205 0.269,1206 4.073,1207 0.076,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.967,1214 1.935,1215 2.046,1216 2.107,1217 1.156,1218 2.086,1219 1.908,1220 1.884,1221 2.003,1222 2.008,1223 1.134,1224 2.01,1225 1.855,1226 1.817,1227 1.977,1228 1.975,1229 1.09,1230 1.98,1231 1.737,1232 1.691,1233 1.819,1234 1.9,1235 0.907,1236 1.887,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.587,1242 1.603,1243 1.27,1244 1.225,1245 1.514,1246 1.575,1247 0.579,1248 1.531,1249 1.197,1250 1.128,1251 1.418,1252 1.423,1253 0.458,1254 1.445,1255 1.155,1256 1.071,1257 1.389,1258 1.395,1259 0.347,1260 1.423,1261 4.369,1263 5.687,1264 2.398,1265 7.191,1266 4.595,1267 8.781,1268 6.605,1269 10.418,1271 1.908,1272 6.059,1277 0.589,1278 9.094,1289 38.906,1290 92.504,1291 216.768,1292 282.436,1293 315.72,1294 317.72,1295 317.72,1296 50.727,1297 8.346,1298 96.24,1299 96.24,1300 29,1301 12.721,1302 4.907,1303 4,1304 52.245,1305 171,1306 168,1307 0.144,1308 242.11,1309 406.1,1310 582.508,1311 59117,1312 1.8,1313 24.2,1314 0.691,1315 0.561,1316 24.7,1317 19.621,1318 17.047,1319 0.437,1320 0.291,1321 10.85,1322 16.178,1323 10.565,1324 8.785,1325 17.336,1326 11.339,1327 15.453,1328 0.286,1329 0.156,1330 15.861,1331 8.397,1332 12.76,1333 0.182,1334 0.081,1335 13.023,1336 5.683,1337 10.805,1338 0.117,1339 0.041,1340 11.04,1341 3.818,1342 8.824,1343 0.077,1344 0.023,1345 9.12,1346 2.623,1347 0.231,1348 109.242,1349 0.194,1350 32.542,1351 0.385,1352 186,1353 535.518,1354 217.416,1355 559.999,1356 766.83,1357 524,1358 217,1359 554.612,1360 243.24,1361 575.09,1362 835.7,1363 541,1364 6.796}
{0 CHEMBL1081740,1 1.788,2 14.842,3 4.55,4 20.703,5 132.719,6 9.149,7 0.667,8 4.188,9 4.301,10 3.908,11 3.711,12 5.468,13 3.749,14 4.692,15 4.832,16 4.338,17 4.082,18 6.348,19 4.112,20 4.891,21 5.072,22 4.318,23 4.183,24 6.192,25 4.186,26 4.972,27 5.177,28 4.352,29 4.115,30 6.538,31 4.133,32 4.907,33 5.119,34 4.236,35 4.077,36 6.254,37 4.085,38 4.86,39 5.055,40 4.196,41 4.115,42 6.129,43 4.11,44 4.881,45 5.073,46 4.298,47 4.144,48 6.482,49 4.127,50 4.85,51 5.058,52 4.103,53 4.137,54 6.031,55 4.087,56 0.269,57 1.205,58 7.017,59 4.544,60 32.762,61 4.589,62 1.038,63 2.203,64 14.632,65 7.544,66 144.289,67 7.745,68 0.801,69 2.123,70 21.012,71 9.679,72 86.105,73 10.663,74 1.454,75 2.514,76 27.607,77 10.294,78 209.374,79 11.466,80 1.152,81 1.926,82 26.193,83 8.723,84 112.114,85 9.983,86 0.944,87 1.878,88 23.404,89 9.391,90 124.87,91 10.234,92 1.32,93 1.85,94 23.537,95 9.258,96 180.15,97 11.359,98 0.85,99 1.808,100 23.26,101 10.095,102 93.842,103 11.969,104 27,105 60,106 0.286,107 0.622,108 0.782,109 0.875,110 0.887,111 0.892,112 3.668,113 0.806,114 -4.68,115 -4.6,116 -4.33,118 45.6,124 1,130 1,138 9,139 3,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 8,170 1,171 3,173 3,174 1,175 5,178 7,181 2,182 4,184 2,186 6,188 4,192 8,197 6,204 11,206 2,208 6,215 8,218 1,220 2,223 5,227 2,228 1,231 1,232 1,233 1,235 12,239 3,240 1,243 2,247 11,252 3,255 1,256 1,257 1,260 5,264 2974,265 25.366,266 25.366,267 25.366,268 25.366,269 25.366,270 21.932,271 26.167,272 14.909,273 26.109,274 20.798,275 20.798,276 20.798,277 20.798,278 20.798,279 15.598,280 39.896,281 7.156,282 22.1,283 4.045,284 1.945,285 0.948,286 0.364,287 0.294,288 0.259,289 4.37,294 1,295 1225,296 4.243,299 96.207,300 490.773,303 167.964,307 2.429,308 61.649,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 86.5,320 564,321 4.574,322 4.474,323 7.24,324 4.251,325 3.377,326 4.516,327 3.825,328 12.181,329 2.986,330 4.547,331 3.563,332 6.573,333 4.073,334 3.133,335 4.049,336 1.656,337 10.48,338 2.955,339 4.176,340 3.171,341 6.11,342 3.767,343 2.798,344 3.805,345 0.657,346 8.968,347 2.698,348 3.899,349 2.977,350 5.611,351 3.56,352 2.613,353 3.446,354 0.247,355 7.69,356 2.487,357 3.895,358 2.806,359 5.434,360 3.504,361 2.52,362 3.193,364 7.087,365 2.453,366 3.706,367 2.724,368 5.367,369 3.324,370 2.385,371 3.063,373 7.012,374 2.223,375 3.495,376 2.408,377 5.202,378 3.066,379 2.14,380 2.85,382 6.3,383 1.95,384 3.457,385 2.312,386 5.191,387 3.005,388 2.081,389 2.71,391 6.258,392 1.917,393 3.237,394 2.185,395 4.659,396 2.789,397 1.811,398 2.453,400 4.989,401 1.731,402 2.925,403 1.599,404 4.354,405 2.431,406 1.498,407 2.099,409 4.061,410 1.401,411 2.917,412 1.531,413 4.032,414 2.418,415 1.448,416 2.087,417 3.186,418 1.394,419 2.659,420 1.429,421 3.785,422 2.152,423 1.178,424 1.733,425 3.136,426 1.146,427 2.583,428 1.201,429 3.59,430 2.115,431 1.154,432 1.616,433 2.68,434 1.092,435 2.5,436 1.006,437 3.471,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.276,452 0.455,453 1.086,454 0.029,455 55,456 1.447,457 29,458 0.763,459 26,460 0.684,461 28.053,462 0.738,463 40.324,464 0.707,465 48.945,466 1.288,467 11.333,468 0.298,469 6.925,470 0.182,471 0.085,472 0.029,473 0.313,476 3,477 1,478 0.635,479 1.04,480 0.601,481 0.98,482 0.576,483 0.833,484 0.5,485 0.845,486 0.717,487 0.967,488 0.43,489 0.948,490 0.764,491 0.962,492 0.923,493 1.09,494 0.706,495 1.083,496 0.865,497 1.027,498 0.946,499 1.084,500 0.767,501 1.052,502 0.871,503 0.685,504 1.005,505 0.79,506 0.831,507 0.888,508 0.951,509 0.875,510 1.048,511 0.956,512 0.922,513 1.007,514 0.355,515 0.575,516 0.802,517 0.851,518 0.324,519 0.976,520 0.628,521 0.698,522 1.009,523 0.987,524 0.62,525 1.118,526 9,527 0.267,528 4,529 2.625,530 2.049,531 1.243,532 0.891,533 0.486,534 0.493,535 0.283,536 24839,537 90603,538 2.091,539 33.3,541 11,542 2,543 3,544 3,549 1.786,550 1.957,551 3.825,552 0.843,558 101.901,559 1.788,560 3.888,561 4.885,562 5.469,563 5.539,564 5.574,565 3.281,566 4.669,567 5.22,568 4.06,569 2854.29,570 9.186,571 49090.4,576 332.475,577 1.514,578 5.174,579 0.214,580 0.007,581 0.067,582 0.044,583 0.036,584 0.023,585 0.017,586 0.009,587 0.01,588 0.006,589 0.434,590 0.17,591 0.75,592 0.661,593 213.553,594 -0.076,595 -0.133,596 0.013,597 -0.037,598 -0.088,599 0.015,600 0.298,601 0.157,602 0.031,603 -0.023,604 0.319,605 -0.091,606 -0.058,607 -0.12,608 -0.067,609 -0.142,610 -0.043,611 -0.123,612 0.1,613 -0.067,614 0.054,615 -0.117,616 0.182,617 -0.066,618 -0.052,619 0.112,620 -0.035,621 0.118,622 -0.044,623 0.078,624 -0.158,625 -0.028,626 -0.128,627 0.006,628 -0.139,629 -0.02,630 0.36,631 0.199,632 0.105,633 0.09,634 0.364,635 0.01,636 0.001,637 0.066,638 -0.092,639 -0.007,640 -0.042,641 -0.068,642 6.137,643 5.529,644 0.711,645 48.186,646 1.038,647 1.147,648 3.455,649 11.936,650 0.69,651 3.761,652 4.111,653 4.344,654 4.615,655 4.812,656 4.883,657 5.069,658 5.159,659 5.273,660 5.371,661 8.868,662 0.695,663 521.52,664 3.761,665 5.323,666 6.168,667 7.055,668 7.915,669 8.805,670 9.673,671 10.563,672 11.436,673 12.327,674 12.3,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,715 1,716 57,718 29,719 2,720 42,722 61,723 26,724 23,725 5,726 7,728 5,729 6,731 1,732 1,737 1,740 24,741 2,744 1,749 1,753 1,758 4,760 19,761 11,762 3,763 12,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,825 4,827 38,833 1,834 3,839 1,849 4,850 1.8,853 1,858 19.417,859 10.205,860 8.111,861 3.114,863 5.079,864 1.594,865 1.035,866 7.059,867 13.628,868 4.06,869 4.698,870 5.277,871 5.885,872 6.41,873 6.685,874 7.151,875 7.554,876 7.881,877 8.283,878 0.9,879 59,880 14.821,881 7.197,882 8.261,883 25.485,884 20.746,885 2.761,886 104.917,890 188.338,891 175.656,892 105.675,894 25.145,895 59.84,897 175.656,898 213.483,899 165.516,901 38.127,902 103.381,903 130.541,904 100.257,905 45.106,906 129.482,907 7.76,908 188.338,909 281.331,910 84.985,913 203.298,914 70.025,917 78.788,918 134.176,919 68.367,921 248.178,922 130.82,923 175.656,926 196.097,927 37.373,928 131.81,929 54.032,930 135.342,931 188.338,932 190.661,933 175.656,935 0.589,936 0.331,937 0.179,938 0.095,939 29,940 13,941 0.098,942 6,943 1,944 1.074,945 4.832,946 370.004,947 0.074,948 27,949 190.666,954 25.343,955 10.584,956 5.996,957 0.633,958 189.374,959 21.422,960 13.073,964 0.104,966 54.032,967 554.654,968 57,973 12.45,977 -0.792,980 59.16,981 65.378,983 0.306,984 0.667,985 0.837,986 0.938,987 0.95,988 0.956,989 5.303,990 2.081,991 6.18,992 6.3,993 4.796,994 5.387,995 3.277,996 7.009,997 4.677,998 6.536,999 1.811,1000 7.753,1001 6.258,1002 4.511,1003 5.223,1004 3.949,1005 8.078,1006 4.251,1007 7.857,1008 1.498,1009 9.434,1010 4.989,1011 6.444,1012 7.618,1013 5.466,1014 11.119,1015 6.191,1016 9.214,1017 1.448,1018 11.182,1019 4.061,1020 6.957,1021 8.25,1022 6.701,1023 13.023,1024 6.547,1025 10.6,1026 1.178,1027 12.974,1028 3.186,1029 8.401,1030 10.136,1031 8.066,1032 15.649,1033 7.979,1034 12.008,1035 1.154,1036 14.8,1037 3.136,1038 9.275,1039 11.166,1040 9.391,1041 17.893,1042 8.699,1043 13.433,1044 1,1045 16.651,1046 2.68,1047 10.539,1048 12.827,1049 10.736,1050 20.402,1051 9.919,1052 3.377,1053 1,1054 18.522,1055 2.381,1056 11.581,1057 14.071,1058 12.075,1059 22.785,1060 10.819,1061 3.133,1062 12.181,1063 20.41,1064 2.2,1065 12.783,1066 15.629,1067 13.417,1068 25.265,1069 11.949,1070 2.798,1071 10.48,1072 22.311,1073 4.516,1074 13.903,1075 16.987,1076 14.758,1077 27.705,1078 12.937,1079 2.613,1080 8.968,1081 24.224,1082 4.049,1083 15.089,1084 18.499,1085 16.1,1086 30.183,1087 14.03,1088 2.52,1089 7.69,1090 26.146,1091 3.805,1092 16.246,1093 19.919,1094 17.441,1095 32.648,1096 15.061,1097 2.385,1098 7.087,1099 28.076,1100 3.446,1101 17.431,1102 21.414,1103 18.783,1104 35.129,1105 16.141,1106 2.14,1107 7.012,1108 30.013,1109 3.193,1110 18.607,1111 22.867,1112 20.124,1113 37.607,1114 17.196,1115 23307,1116 44896,1117 28.027,1118 39.336,1119 64.143,1120 64.369,1121 63.829,1122 63.507,1123 63.307,1124 85.128,1125 12.772,1126 184.672,1127 59.53,1128 5.447,1129 6.474,1130 7.042,1131 5.322,1132 5.377,1133 7.516,1134 5.335,1135 19.593,1136 4.986,1137 19.325,1138 1.527,1139 1.533,1140 1.52,1141 1.512,1142 1.507,1143 2.027,1144 0.304,1145 4.397,1146 1.417,1147 4.129,1148 4.181,1149 4.102,1150 3.975,1151 8.513,1152 3.998,1153 3.96,1154 3.99,1155 3.934,1156 3.853,1157 8.201,1158 3.865,1159 3.879,1160 3.919,1161 3.822,1162 3.787,1163 7.999,1164 3.791,1165 3.863,1166 3.9,1167 3.804,1168 3.75,1169 7.999,1170 3.761,1171 3.472,1172 3.517,1173 3.453,1174 3.197,1175 7.431,1176 3.245,1177 3.349,1178 3.43,1179 3.296,1180 3.118,1181 5.114,1182 3.151,1183 3.281,1184 3.331,1185 3.244,1186 3.03,1187 4.896,1188 3.054,1189 3.186,1190 3.246,1191 3.097,1192 2.967,1193 4.748,1194 3.004,1195 0.109,1196 0.107,1197 0.172,1198 0.101,1199 0.08,1200 4.574,1201 0.108,1202 4.474,1203 0.091,1204 7.24,1205 0.29,1206 4.251,1207 0.071,1208 3.377,1209 4.516,1210 3.825,1211 12.181,1212 2.986,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.895,1220 1.872,1221 1.98,1222 2.02,1223 1.092,1224 2.003,1225 1.855,1226 1.817,1227 1.968,1228 1.978,1229 1.083,1230 1.979,1231 1.737,1232 1.691,1233 1.819,1234 1.902,1235 0.907,1236 1.887,1237 1.401,1238 1.341,1239 1.56,1240 1.614,1241 0.579,1242 1.603,1243 1.284,1244 1.241,1245 1.417,1246 1.603,1247 0.458,1248 1.54,1249 1.156,1250 1.075,1251 1.383,1252 1.425,1253 0.342,1254 1.424,1255 1.078,1256 1.037,1257 1.205,1258 1.406,1259 0.264,1260 1.322,1261 4.443,1263 5.784,1264 2.398,1265 7.306,1266 4.595,1267 8.912,1268 6.605,1269 10.564,1273 52.444,1277 0.503,1278 8.15,1283 -4.887,1289 39.612,1290 101.901,1291 221.623,1292 278.436,1293 311.72,1294 315.72,1295 317.72,1296 85.37,1297 8.548,1298 96.24,1299 96.24,1300 29,1301 12.859,1302 4.907,1303 4,1304 59.235,1305 203,1306 195,1307 0.139,1308 238.57,1309 415.17,1310 573.87,1311 76634,1312 7,1313 26.7,1314 0.703,1315 0.513,1316 23.33,1317 19.499,1318 18.258,1319 0.435,1320 0.269,1321 11.036,1322 17.288,1323 10.926,1324 8.994,1325 16.636,1326 11.278,1327 17.426,1328 0.29,1329 0.137,1330 14.935,1331 8.194,1332 13.583,1333 0.179,1334 0.073,1335 12.211,1336 5.529,1337 11.709,1338 0.117,1339 0.037,1340 10.653,1341 3.746,1342 9.142,1343 0.075,1344 0.02,1345 8.29,1346 2.428,1347 0.223,1348 116.45,1349 0.189,1350 34.844,1351 0.366,1352 204,1353 871.759,1354 240.744,1355 739.8,1356 974.43,1357 686,1358 238,1359 695.082,1360 268.284,1361 678.518,1362 1009.72,1363 637,1364 6.071}
{0 CHEMBL1081754,1 1.744,2 15.568,3 4.345,4 18.876,5 132.503,6 8.834,7 0.683,8 4.18,9 4.296,10 3.877,11 3.713,12 5.424,13 3.74,14 4.682,15 4.827,16 4.298,17 4.084,18 6.305,19 4.099,20 4.876,21 5.063,22 4.255,23 4.186,24 6.12,25 4.167,26 4.946,27 5.161,28 4.216,29 4.116,30 6.213,31 4.105,32 4.898,33 5.118,34 4.175,35 4.059,36 6.209,37 4.055,38 4.817,39 5.017,40 4.112,41 4.08,42 6.05,43 4.06,44 4.815,45 5.013,46 4.168,47 4.103,48 6.3,49 4.065,50 4.785,51 5.001,52 3.995,53 4.071,54 5.939,55 4.002,56 0.198,57 1.125,58 7.849,59 4.515,60 23.314,61 4.852,62 0.967,63 2.093,64 15.959,65 7.495,66 135.12,67 8.182,68 0.614,69 1.946,70 22.03,71 9.599,72 50.833,73 11.354,74 0.818,75 2.036,76 27.785,77 10.182,78 89.362,79 12.005,80 1.001,81 1.875,82 27.567,83 8.825,84 94.642,85 10.404,86 0.761,87 1.754,88 23.722,89 9.201,90 98.629,91 10.446,92 1.032,93 1.716,94 22.937,95 8.936,96 138.881,97 11.226,98 0.633,99 1.637,100 23.15,101 9.881,102 65.073,103 12.426,104 18,105 58,106 0.279,107 0.594,108 0.755,109 0.851,110 0.864,111 0.87,112 3.642,113 0.817,114 -4.59,115 -4.51,116 -4.24,118 45.6,124 1,130 1,138 10,139 3,140 2,141 3,142 1,143 1,147 2,154 1,156 1,167 10,170 1,171 3,173 3,174 1,175 5,178 9,181 2,182 4,184 2,186 6,188 4,192 9,197 7,204 11,206 1,208 6,215 8,218 1,220 4,223 5,227 1,228 2,231 1,235 12,239 3,243 1,244 1,247 14,251 1,252 1,255 2,260 8,264 2775,265 24.866,266 24.866,267 24.866,268 24.866,269 24.866,270 21.485,271 25.89,272 14.683,273 25.558,274 20.31,275 20.31,276 20.31,277 20.31,278 20.31,279 15.203,280 40.25,281 7.048,282 21.51,283 4.089,284 2.12,285 1.114,286 0.518,287 0.434,288 0.399,289 4.347,294 1,295 1258,296 4.183,299 99.526,300 496.625,303 174.708,307 2.552,308 50.139,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 83,320 576,321 4.573,322 4.46,323 7.116,324 4.18,325 3.32,326 4.515,327 3.825,328 11.69,329 2.948,330 4.453,331 3.562,332 6.572,333 4.069,334 3.13,335 3.87,336 1.656,337 10.474,338 2.898,339 4.149,340 3.17,341 6.082,342 3.74,343 2.769,344 3.772,345 0.657,346 8.832,347 2.677,348 3.907,349 2.787,350 5.577,351 3.572,352 2.615,353 3.446,354 0.247,355 7.667,356 2.492,357 3.898,358 2.717,359 5.367,360 3.504,361 2.52,362 3.227,364 7.013,365 2.467,366 3.724,367 2.588,368 5.345,369 3.335,370 2.377,371 3.093,373 6.993,374 2.256,375 3.48,376 2.389,377 5.191,378 3.007,379 2.084,380 2.854,382 6.259,383 1.919,384 3.382,385 2.185,386 4.752,387 2.937,388 1.953,389 2.612,391 5.293,392 1.899,393 2.967,394 1.844,395 4.474,396 2.479,397 1.531,398 2.169,400 4.382,401 1.439,402 2.92,403 1.599,404 4.371,405 2.431,406 1.498,407 2.09,409 4.09,410 1.394,411 2.864,412 1.535,413 3.788,414 2.398,415 1.435,416 1.978,417 3.187,418 1.363,419 2.57,420 1.189,421 3.587,422 2.092,423 1.112,424 1.6,425 2.552,426 1.078,427 2.546,428 1.086,429 3.488,430 2,431 1.056,432 1.567,433 2.526,434 1,435 2.5,436 1.004,437 3.429,438 1.991,439 1,440 1.5,441 2.275,442 0.985,443 2.5,444 1,445 3.414,446 1.984,447 1,448 1.5,449 2.207,450 0.983,451 16.99,452 0.459,453 0.997,454 0.027,455 54.25,456 1.466,457 29,458 0.784,459 25.25,460 0.682,461 26.205,462 0.708,463 38.81,464 0.681,465 46.193,466 1.248,467 11.114,468 0.3,469 6.734,470 0.182,471 0.07,472 0.029,473 0.288,476 3,478 0.65,479 1.078,480 0.628,481 0.981,482 0.585,483 0.839,484 0.467,485 0.837,486 0.75,487 0.966,488 0.389,489 0.958,490 0.692,491 0.926,492 0.928,493 1.088,494 0.604,495 1.091,496 1.043,497 1.127,498 1.033,499 1.103,500 0.946,501 1.065,502 1.021,503 0.761,504 1.039,505 0.796,506 0.968,507 0.87,508 1.027,509 0.898,510 1.063,511 0.944,512 1.015,513 0.991,514 0.414,515 0.631,516 0.873,517 0.892,518 0.362,519 1.002,520 0.567,521 0.743,522 0.958,523 1.043,524 0.566,525 1.124,526 8.5,527 0.182,528 3.778,529 2.063,530 1.858,531 1.299,532 0.745,533 0.478,534 0.4,535 0.279,536 24492,537 83798,538 2.11,539 35.1,541 12,542 2,543 3,544 3,549 1.777,550 1.991,551 3.89,552 0.836,558 99.418,559 1.744,560 3.713,561 4.719,562 5.315,563 5.399,564 5.434,565 3.409,566 4.79,567 5.18,568 4.124,569 2746.4,570 9.091,571 47427.8,576 332.475,577 1.444,578 5.144,579 0.207,580 0.005,581 0.065,582 0.037,583 0.036,584 0.026,585 0.015,586 0.01,587 0.009,588 0.007,589 0.418,590 0.17,591 0.75,592 0.629,593 207.993,594 -0.076,595 -0.141,596 0.02,597 -0.037,598 -0.1,599 0.014,600 0.381,601 0.207,602 0.027,603 -0.021,604 0.399,605 -0.098,606 -0.029,607 -0.1,608 -0.068,609 -0.14,610 -0.004,611 -0.129,612 -0.138,613 -0.206,614 -0.043,615 -0.139,616 -0.072,617 -0.073,618 -0.093,619 0.1,620 -0.039,621 0.128,622 -0.061,623 0.091,624 -0.166,625 -0.007,626 -0.124,627 0.032,628 -0.147,629 -0.007,630 0.306,631 0.186,632 0.037,633 0.066,634 0.32,635 -0.015,636 0.06,637 0.046,638 -0.022,639 -0.04,640 0.009,641 -0.062,642 5.744,643 5.31,644 0.73,645 49.676,646 1.029,647 1.141,648 3.356,649 11.263,650 0.691,651 3.738,652 4.078,653 4.304,654 4.554,655 4.771,656 4.844,657 5.024,658 5.118,659 5.226,660 5.352,661 9.22,662 0.688,663 503.53,664 3.738,665 5.293,666 6.133,667 7.013,668 7.869,669 8.75,670 9.614,671 10.496,672 11.366,673 12.249,674 12.3,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,716 57,718 29,719 2,720 41,722 61,723 26,724 23,725 4,726 8,728 5,729 6,731 1,732 1,737 1,740 24,741 2,744 1,749 1,753 1,758 3,760 20,761 10,762 3,763 11,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,825 3,827 37,833 1,834 3,839 1,849 3,850 1.8,853 1,858 18.583,859 10.145,860 7.917,861 3.127,863 4.991,864 1.588,865 1.035,866 6.867,867 13.475,868 4.043,869 4.67,870 5.246,871 5.847,872 6.378,873 6.655,874 7.121,875 7.535,876 7.858,877 8.293,878 1,879 56,880 14.09,881 6.517,882 8.128,883 25.064,884 20.372,885 2.628,886 97.25,890 200.109,891 176.011,892 105.675,894 25.145,895 44.88,897 176.011,898 225.254,899 150.556,901 38.127,902 112.857,903 130.541,904 91.136,905 30.146,906 141.253,907 7.76,908 200.109,909 281.686,910 70.025,913 200.109,914 70.025,917 78.788,918 134.531,919 68.367,921 244.989,922 130.82,923 176.011,926 207.868,927 28.252,928 141.286,929 54.032,930 120.382,931 200.109,932 175.701,933 176.011,935 0.587,936 0.328,937 0.173,938 0.093,939 28,940 12,941 0.098,942 6,943 1,944 1.074,945 4.855,946 350.766,947 0.074,948 27,949 177.995,954 24.448,955 10.393,956 5.947,957 0.683,958 174.414,959 24.02,960 13.129,964 2.801,966 54.032,967 551.82,968 56,973 12.31,977 -0.66,980 58.647,981 65.038,983 0.299,984 0.637,985 0.809,986 0.911,987 0.926,988 0.932,989 5.278,990 1.953,991 6.138,992 6.259,993 4.762,994 5.359,995 3.277,996 6.952,997 4.651,998 6.504,999 1.531,1000 7.701,1001 5.293,1002 4.443,1003 5.147,1004 3.949,1005 8.003,1006 4.19,1007 7.818,1008 1.498,1009 9.373,1010 4.382,1011 6.399,1012 7.577,1013 5.466,1014 11.017,1015 6.154,1016 9.168,1017 1.435,1018 11.112,1019 4.09,1020 6.889,1021 8.172,1022 6.701,1023 12.901,1024 6.481,1025 10.548,1026 1.112,1027 12.896,1028 3.187,1029 8.342,1030 10.08,1031 8.066,1032 15.49,1033 7.924,1034 11.95,1035 1.056,1036 14.713,1037 2.552,1038 9.196,1039 11.082,1040 9.391,1041 17.702,1042 8.616,1043 13.369,1044 1,1045 16.554,1046 2.526,1047 10.46,1048 12.756,1049 10.736,1050 20.171,1051 9.838,1052 3.32,1053 1,1054 18.414,1055 2.275,1056 11.483,1057 13.981,1058 12.075,1059 22.514,1060 10.711,1061 3.13,1062 11.69,1063 20.29,1064 2.207,1065 12.677,1066 15.546,1067 13.417,1068 24.951,1069 11.835,1070 2.769,1071 10.474,1072 22.178,1073 4.515,1074 13.78,1075 16.895,1076 14.758,1077 27.349,1078 12.798,1079 2.615,1080 8.832,1081 24.076,1082 3.87,1083 14.953,1084 18.412,1085 16.1,1086 29.781,1087 13.88,1088 2.52,1089 7.667,1090 25.983,1091 3.772,1092 16.093,1093 19.828,1094 17.441,1095 32.202,1096 14.89,1097 2.377,1098 7.013,1099 27.897,1100 3.446,1101 17.263,1102 21.327,1103 18.783,1104 34.638,1105 15.956,1106 2.084,1107 6.993,1108 29.817,1109 3.227,1110 18.422,1111 22.781,1112 20.124,1113 37.071,1114 16.99,1115 22861,1116 42581,1117 27.622,1118 39.398,1119 62.394,1120 62.223,1121 61.764,1122 61.768,1123 61.58,1124 83.18,1125 12.772,1126 177.674,1127 58.178,1128 5.443,1129 6.46,1130 6.918,1131 5.251,1132 5.32,1133 7.515,1134 5.335,1135 18.668,1136 4.948,1137 17.198,1138 1.522,1139 1.518,1140 1.506,1141 1.507,1142 1.502,1143 2.029,1144 0.312,1145 4.334,1146 1.419,1147 4.128,1148 4.18,1149 4.101,1150 3.975,1151 8.513,1152 3.997,1153 3.951,1154 3.985,1155 3.911,1156 3.854,1157 7.999,1158 3.86,1159 3.879,1160 3.919,1161 3.82,1162 3.787,1163 7.999,1164 3.791,1165 3.862,1166 3.899,1167 3.803,1168 3.751,1169 7.431,1170 3.761,1171 3.474,1172 3.52,1173 3.454,1174 3.213,1175 5.115,1176 3.257,1177 3.348,1178 3.429,1179 3.299,1180 3.107,1181 4.897,1182 3.142,1183 3.283,1184 3.335,1185 3.232,1186 3.028,1187 4.754,1188 3.059,1189 3.165,1190 3.223,1191 3.082,1192 2.941,1193 4.704,1194 2.976,1195 0.112,1196 0.109,1197 0.174,1198 0.102,1199 0.081,1200 4.573,1201 0.11,1202 4.46,1203 0.093,1204 7.116,1205 0.285,1206 4.18,1207 0.072,1208 3.32,1209 4.515,1210 3.825,1211 11.69,1212 2.948,1213 1.966,1214 1.935,1215 2.046,1216 2.107,1217 1.154,1218 2.085,1219 1.903,1220 1.877,1221 1.999,1222 2.019,1223 1.099,1224 2.011,1225 1.855,1226 1.817,1227 1.977,1228 1.977,1229 1.089,1230 1.98,1231 1.738,1232 1.692,1233 1.818,1234 1.903,1235 0.908,1236 1.888,1237 1.401,1238 1.341,1239 1.56,1240 1.614,1241 0.579,1242 1.603,1243 1.288,1244 1.244,1245 1.425,1246 1.6,1247 0.46,1248 1.541,1249 1.154,1250 1.074,1251 1.38,1252 1.426,1253 0.361,1254 1.422,1255 1.078,1256 1.034,1257 1.205,1258 1.403,1259 0.266,1260 1.321,1261 4.419,1263 5.753,1264 2.398,1265 7.268,1266 4.595,1267 8.863,1268 6.605,1269 10.502,1273 38.697,1277 0.547,1278 8.351,1283 -4.494,1289 39.229,1290 99.418,1291 211.633,1292 268.991,1293 302.965,1294 307.72,1295 309.72,1296 71.667,1297 8.484,1298 96.24,1299 96.24,1300 29,1301 12.785,1302 4.907,1303 4,1304 57.076,1305 207,1306 186,1307 0.132,1308 237.372,1309 409.1,1310 570.947,1311 71073,1312 5.3,1313 25.83,1314 0.698,1315 0.519,1316 23.33,1317 19.198,1318 17.847,1319 0.435,1320 0.272,1321 10.956,1322 16.99,1323 10.825,1324 8.935,1325 16.636,1326 11.172,1327 16.881,1328 0.291,1329 0.139,1330 14.923,1331 8.077,1332 13.242,1333 0.181,1334 0.075,1335 12.279,1336 5.47,1337 11.091,1338 0.118,1339 0.039,1340 10.573,1341 3.667,1342 8.891,1343 0.076,1344 0.02,1345 8.251,1346 2.397,1347 0.214,1348 113.12,1349 0.19,1350 34.421,1351 0.341,1352 198,1353 777.648,1354 230.914,1355 677.747,1356 902.44,1357 630,1358 230,1359 650.749,1360 256.792,1361 640.939,1362 952.4,1363 602,1364 4.301}
{0 CHEMBL1081916,1 1.845,2 14.842,3 5.009,4 25.09,5 137.308,6 9.438,7 0.667,8 4.185,9 4.295,10 3.935,11 3.734,12 5.44,13 3.76,14 4.688,15 4.826,16 4.373,17 4.112,18 6.323,19 4.126,20 4.885,21 5.061,22 4.373,23 4.229,24 6.141,25 4.208,26 4.963,27 5.158,28 4.451,29 4.155,30 6.369,31 4.157,32 4.905,33 5.116,34 4.259,35 4.087,36 6.235,37 4.09,38 4.857,39 5.049,40 4.218,41 4.135,42 6.106,43 4.119,44 4.877,45 5.067,46 4.343,47 4.16,48 6.423,49 4.137,50 4.847,51 5.052,52 4.127,53 4.157,54 6.006,55 4.096,56 0.239,57 1.112,58 6.53,59 4.438,60 26.879,61 4.522,62 1.005,63 2.076,64 13.938,65 7.48,66 138.377,67 7.714,68 0.716,69 1.918,70 21.675,71 9.802,72 66.213,73 10.907,74 1.123,75 1.963,76 32.137,77 10.826,78 119.173,79 11.813,80 1.089,81 1.906,82 25.936,83 8.929,84 101.507,85 9.844,86 0.868,87 1.811,88 23.802,89 9.564,90 106.858,91 10.327,92 1.222,93 1.79,94 23.876,95 9.349,96 156.46,97 11.21,98 0.782,99 1.734,100 23.705,101 10.163,102 76.871,103 12.07,104 27,105 60,106 0.295,107 0.622,108 0.782,109 0.875,110 0.887,111 0.892,112 3.668,113 0.833,114 -4.78,115 -4.7,116 -4.41,118 45.6,124 1,130 1,138 9,139 3,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 8,170 1,171 3,173 3,174 1,175 5,178 9,181 2,182 4,184 2,186 6,188 6,192 8,197 6,204 11,206 2,208 7,215 8,218 1,220 2,223 5,227 2,228 2,231 1,232 1,233 2,235 12,239 3,240 1,243 2,247 11,252 3,255 1,256 1,257 1,260 7,264 2974,265 25.366,266 25.366,267 25.366,268 25.366,269 25.366,270 21.932,271 26.146,272 14.909,273 26.168,274 20.798,275 20.798,276 20.798,277 20.798,278 20.798,279 15.598,280 39.868,281 7.156,282 22.226,283 3.988,284 1.945,285 0.948,286 0.364,287 0.294,288 0.259,289 4.37,290 1,294 1,295 1225,296 4.243,299 96.207,300 490.773,303 167.964,307 2.429,308 54.971,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 85.333,320 564,321 4.574,322 4.475,323 7.24,324 4.244,325 3.377,326 4.516,327 3.825,328 12.181,329 2.957,330 4.547,331 3.563,332 6.573,333 4.073,334 3.133,335 4.049,336 1.656,337 10.48,338 2.943,339 4.176,340 3.171,341 6.11,342 3.767,343 2.798,344 3.805,345 0.657,346 8.968,347 2.698,348 3.899,349 2.995,350 5.611,351 3.56,352 2.613,353 3.446,354 0.247,355 7.69,356 2.487,357 3.895,358 2.806,359 5.434,360 3.504,361 2.52,362 3.193,364 7.087,365 2.452,366 3.706,367 2.724,368 5.367,369 3.319,370 2.385,371 3.063,373 7.012,374 2.222,375 3.495,376 2.413,377 5.202,378 3.043,379 2.14,380 2.85,382 6.3,383 1.922,384 3.457,385 2.313,386 5.191,387 3.004,388 2.081,389 2.71,391 6.258,392 1.911,393 3.237,394 2.185,395 4.659,396 2.769,397 1.811,398 2.453,400 4.989,401 1.622,402 2.925,403 1.599,404 4.354,405 2.431,406 1.498,407 2.099,409 4.061,410 1.398,411 2.917,412 1.531,413 4.032,414 2.418,415 1.448,416 2.087,417 3.186,418 1.394,419 2.659,420 1.433,421 3.785,422 2.152,423 1.178,424 1.733,425 3.136,426 1.146,427 2.583,428 1.201,429 3.59,430 2.114,431 1.154,432 1.616,433 2.68,434 1.089,435 2.5,436 1.006,437 3.471,438 1.984,439 1,440 1.5,441 2.381,442 0.983,443 2.5,444 1,445 3.429,446 1.952,447 1,448 1.5,449 2.2,450 0.949,451 17.705,452 0.466,453 1.086,454 0.029,455 55,456 1.447,457 29,458 0.763,459 26,460 0.684,461 29.025,462 0.764,463 39.895,464 0.7,465 47.973,466 1.262,467 11.202,468 0.295,469 7.056,470 0.186,471 0.108,472 0.028,473 0.305,476 3,478 0.65,479 1.074,480 0.554,481 0.915,482 0.588,483 0.803,484 0.484,485 0.831,486 0.664,487 0.894,488 0.396,489 0.914,490 0.73,491 0.919,492 0.917,493 1.037,494 0.645,495 1.063,496 0.9,497 1.155,498 0.976,499 1.201,500 0.824,501 1.079,502 0.964,503 0.766,504 0.819,505 0.78,506 0.95,507 0.869,508 1.001,509 0.917,510 0.934,511 0.943,512 0.99,513 0.998,514 0.379,515 0.621,516 0.693,517 0.866,518 0.356,519 0.96,520 0.638,521 0.719,522 0.902,523 0.973,524 0.633,525 1.106,526 9,527 0.267,528 4,529 2.625,530 2.049,531 1.243,532 0.891,533 0.486,534 0.493,535 0.283,536 24839,537 90603,538 2.091,539 33.3,541 11,542 2,543 3,544 3,549 1.786,550 1.957,551 3.825,552 0.843,558 105.146,559 1.845,560 3.888,561 4.885,562 5.469,563 5.539,564 5.574,565 3.281,566 4.669,567 5.22,568 4.06,569 2854.29,570 9.186,571 49090.4,576 332.475,577 1.514,578 5.174,579 0.214,580 0.007,581 0.067,582 0.044,583 0.036,584 0.023,585 0.017,586 0.009,587 0.01,588 0.006,589 0.434,590 0.17,591 0.75,592 0.661,593 213.553,594 -0.081,595 -0.14,596 0.006,597 -0.031,598 -0.099,599 0.015,600 0.346,601 0.213,602 0.027,603 0.012,604 0.387,605 -0.077,606 -0.05,607 -0.095,608 -0.055,609 -0.103,610 -0.034,611 -0.109,612 0.026,613 -0.235,614 0.084,615 -0.225,616 0.061,617 -0.086,618 -0.07,619 0.11,620 -0.01,621 0.117,622 -0.06,623 0.081,624 -0.168,625 -0.027,626 -0.114,627 0.001,628 -0.152,629 -0.026,630 0.364,631 0.187,632 0.117,633 0.057,634 0.368,635 0.011,636 0.005,637 0.075,638 -0.079,639 -0.013,640 -0.045,641 -0.07,642 5.894,643 5.511,644 0.711,645 48.186,646 1.035,647 1.14,648 3.553,649 12.623,650 0.706,651 3.761,652 4.111,653 4.344,654 4.615,655 4.812,656 4.883,657 5.069,658 5.159,659 5.273,660 5.371,661 8.868,662 0.703,663 537.97,664 3.761,665 5.323,666 6.168,667 7.055,668 7.915,669 8.805,670 9.673,671 10.563,672 11.436,673 12.327,674 12.3,679 1,681 2,682 1,684 3,689 1,690 14,691 3,695 8,697 28,709 1,715 1,716 57,718 29,719 2,720 42,722 61,723 26,724 23,725 5,726 7,728 5,729 6,730 1,731 1,732 1,737 1,740 24,741 2,744 1,749 1,753 1,758 3,760 19,761 10,762 3,763 12,764 1,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 1,825 3,827 38,833 1,834 3,839 1,849 4,850 1.8,853 1,858 19.417,859 10.205,860 8.111,861 3.114,863 5.079,864 1.594,865 1.032,866 7.298,867 13.628,868 4.06,869 4.698,870 5.277,871 5.885,872 6.41,873 6.685,874 7.151,875 7.554,876 7.881,877 8.283,878 0.9,879 59,880 14.561,881 6.835,882 8.159,883 25.625,884 20.854,885 2.659,886 101.028,890 188.338,891 170.035,892 105.675,893 39.149,894 25.145,895 44.88,897 170.035,898 252.631,899 150.556,901 38.127,902 103.381,903 130.541,904 94.637,905 30.146,906 129.482,907 46.908,908 188.338,909 275.71,910 70.025,911 39.149,913 188.338,914 70.025,917 78.788,918 128.556,919 107.516,921 233.218,922 130.82,923 209.184,926 196.097,927 31.752,928 131.81,929 54.032,930 159.53,931 188.338,932 175.701,933 209.184,935 0.589,936 0.331,937 0.179,938 0.095,939 29,940 13,941 0.098,942 6,943 1,944 1.074,945 4.832,946 370.004,947 0.074,948 27,949 190.666,954 25.679,955 10.799,956 6.139,957 0.651,958 174.414,959 22.578,960 13.121,964 1.805,966 54.032,967 573.222,968 57,973 12.511,977 -0.713,980 58.971,981 64.982,983 0.316,984 0.667,985 0.837,986 0.938,987 0.95,988 0.956,989 5.303,990 2.081,991 6.18,992 6.3,993 4.796,994 5.387,995 3.277,996 7.009,997 4.666,998 6.536,999 1.811,1000 7.753,1001 6.258,1002 4.511,1003 5.223,1004 3.949,1005 8.078,1006 4.225,1007 7.857,1008 1.498,1009 9.434,1010 4.989,1011 6.444,1012 7.618,1013 5.466,1014 11.119,1015 6.173,1016 9.214,1017 1.448,1018 11.182,1019 4.061,1020 6.957,1021 8.25,1022 6.701,1023 13.023,1024 6.516,1025 10.6,1026 1.178,1027 12.974,1028 3.186,1029 8.401,1030 10.136,1031 8.066,1032 15.649,1033 7.953,1034 12.008,1035 1.154,1036 14.8,1037 3.136,1038 9.275,1039 11.166,1040 9.391,1041 17.893,1042 8.661,1043 13.433,1044 1,1045 16.651,1046 2.68,1047 10.539,1048 12.827,1049 10.736,1050 20.402,1051 9.882,1052 3.377,1053 1,1054 18.522,1055 2.381,1056 11.581,1057 14.071,1058 12.075,1059 22.785,1060 10.771,1061 3.133,1062 12.181,1063 20.41,1064 2.2,1065 12.783,1066 15.629,1067 13.417,1068 25.265,1069 11.898,1070 2.798,1071 10.48,1072 22.311,1073 4.516,1074 13.903,1075 16.987,1076 14.758,1077 27.705,1078 12.875,1079 2.613,1080 8.968,1081 24.224,1082 4.049,1083 15.089,1084 18.499,1085 16.1,1086 30.183,1087 13.964,1088 2.52,1089 7.69,1090 26.146,1091 3.805,1092 16.246,1093 19.919,1094 17.441,1095 32.648,1096 14.986,1097 2.385,1098 7.087,1099 28.076,1100 3.446,1101 17.431,1102 21.414,1103 18.783,1104 35.129,1105 16.06,1106 2.14,1107 7.012,1108 30.013,1109 3.193,1110 18.607,1111 22.867,1112 20.124,1113 37.607,1114 17.105,1115 23307,1116 44896,1117 28.027,1118 40.256,1119 64.143,1120 64.398,1121 63.829,1122 63.569,1123 63.307,1124 85.128,1125 12.772,1126 184.672,1127 59.09,1128 5.447,1129 6.475,1130 7.042,1131 5.315,1132 5.377,1133 7.516,1134 5.335,1135 19.593,1136 4.957,1137 19.325,1138 1.527,1139 1.533,1140 1.52,1141 1.514,1142 1.507,1143 2.027,1144 0.304,1145 4.397,1146 1.407,1147 4.129,1148 4.18,1149 4.105,1150 3.976,1151 8.513,1152 3.998,1153 3.956,1154 3.984,1155 4.037,1156 3.87,1157 7.999,1158 3.873,1159 3.879,1160 3.919,1161 3.828,1162 3.787,1163 7.999,1164 3.791,1165 3.862,1166 3.899,1167 3.806,1168 3.751,1169 7.431,1170 3.761,1171 3.471,1172 3.515,1173 3.493,1174 3.202,1175 5.115,1176 3.248,1177 3.349,1178 3.43,1179 3.387,1180 3.122,1181 4.909,1182 3.152,1183 3.28,1184 3.33,1185 3.274,1186 3.031,1187 4.892,1188 3.054,1189 3.185,1190 3.245,1191 3.178,1192 2.969,1193 4.745,1194 3.006,1195 0.109,1196 0.107,1197 0.172,1198 0.101,1199 0.08,1200 4.574,1201 0.108,1202 4.475,1203 0.091,1204 7.24,1205 0.29,1206 4.244,1207 0.07,1208 3.377,1209 4.516,1210 3.825,1211 12.181,1212 2.957,1213 1.967,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.086,1219 1.898,1220 1.878,1221 1.979,1222 2.008,1223 1.098,1224 1.998,1225 1.855,1226 1.817,1227 1.959,1228 1.975,1229 1.089,1230 1.977,1231 1.737,1232 1.691,1233 1.819,1234 1.9,1235 0.907,1236 1.887,1237 1.401,1238 1.341,1239 1.56,1240 1.614,1241 0.579,1242 1.603,1243 1.285,1244 1.244,1245 1.417,1246 1.599,1247 0.458,1248 1.537,1249 1.156,1250 1.075,1251 1.379,1252 1.425,1253 0.347,1254 1.423,1255 1.078,1256 1.037,1257 1.205,1258 1.403,1259 0.264,1260 1.322,1261 4.443,1263 5.784,1264 2.398,1265 7.306,1266 4.595,1267 8.912,1268 6.605,1269 10.564,1272 5.647,1273 39.382,1277 0.518,1278 8.336,1283 -4.644,1289 40.056,1290 105.146,1291 221.623,1292 278.436,1293 311.72,1294 315.72,1295 317.72,1296 79.658,1297 8.548,1298 96.24,1299 96.24,1300 29,1301 12.859,1302 4.907,1303 4,1304 59.235,1305 203,1306 195,1307 0.139,1308 245.705,1309 424.31,1310 591.279,1311 76634,1312 7,1313 26.7,1314 0.703,1315 0.533,1316 24.7,1317 20.255,1318 18.258,1319 0.435,1320 0.278,1321 11.091,1322 17.108,1323 10.926,1324 8.994,1325 17.336,1326 11.656,1327 17.426,1328 0.29,1329 0.143,1330 15.802,1331 8.601,1332 13.583,1333 0.179,1334 0.077,1335 13.302,1336 5.859,1337 11.709,1338 0.117,1339 0.04,1340 10.904,1341 3.97,1342 9.142,1343 0.075,1344 0.021,1345 8.761,1346 2.554,1347 0.223,1348 118.76,1349 0.189,1350 34.844,1351 0.366,1352 204,1353 811.851,1354 252.433,1355 739.8,1356 974.43,1357 686,1358 238,1359 678.612,1360 276.502,1361 678.518,1362 1009.72,1363 637,1364 5.921}
{0 CHEMBL1082107,1 1.64,2 13.765,3 4.067,4 16.538,5 131.334,6 8.703,7 0.737,8 4.115,9 4.233,10 3.818,11 3.695,12 5.307,13 3.695,14 4.583,15 4.73,16 4.178,17 4.071,18 5.785,19 4.048,20 4.816,21 5.007,22 4.224,23 4.17,24 5.939,25 4.115,26 4.829,27 5.039,28 4.141,29 4.099,30 5.938,31 4.042,32 4.804,33 5.018,34 4.144,35 4.048,36 6.005,37 4.017,38 4.753,39 4.946,40 4.096,41 4.097,42 5.889,43 4.051,44 4.789,45 4.994,46 4.138,47 4.143,48 5.915,49 4.082,50 4.783,51 4.986,52 4.063,53 4.135,54 5.863,55 4.047,56 0.073,57 0.853,58 8.045,59 4.011,60 8.184,61 4.751,62 0.294,63 1.334,64 14.706,65 6.586,66 22.518,67 8.069,68 0.416,69 1.568,70 24.379,71 9.091,72 39.808,73 11.311,74 0.336,75 1.546,76 27.929,77 9.373,78 38.959,79 11.838,80 0.594,81 1.514,82 27.082,83 8.369,84 62.791,85 10.079,86 0.346,87 1.466,88 22.379,89 8.481,90 41.044,91 10.4,92 0.418,93 1.522,94 23.297,95 9.026,96 44.629,97 11.511,98 0.417,99 1.473,100 25.062,101 9.545,102 36.305,103 12.232,104 5,105 52,106 0.265,107 0.588,108 0.76,109 0.874,110 0.9,111 0.9,112 3.56,113 0.863,114 -4.29,115 -4.22,116 -3.99,118 46.3,124 1,138 10,139 2,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 9,170 1,171 3,173 3,174 1,175 4,178 8,181 2,182 4,184 2,186 7,188 5,192 7,197 6,199 1,204 12,206 2,208 7,215 9,218 1,220 3,223 3,227 2,228 1,231 1,232 1,233 1,235 12,239 3,240 1,243 2,247 14,252 2,255 1,256 1,257 1,260 8,264 2242,265 23.447,266 23.447,267 23.447,268 23.447,269 23.447,270 19.947,271 21.369,272 14.106,273 23.996,274 18.83,275 18.83,276 18.83,277 18.83,278 18.83,279 13.645,280 32.009,281 6.771,282 19.783,283 4.115,284 2.113,285 1.051,286 0.347,287 0.185,288 0.185,289 4.271,290 1,294 1,295 1031,296 3.391,299 82.197,300 424.928,303 143.896,307 2.19,308 26.453,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 72.833,320 468,321 4.574,322 3.575,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.204,331 3.172,332 6.112,333 3.796,334 2.851,335 3.813,336 0.657,337 8.972,338 2.705,339 4.155,340 3.104,341 6.053,342 3.725,343 2.767,344 3.779,345 0.247,346 8.698,347 2.604,348 3.898,349 2.804,350 5.437,351 3.506,352 2.521,353 3.446,355 7.191,356 2.483,357 3.751,358 2.724,359 5.367,360 3.38,361 2.419,362 3.124,364 7.012,365 2.307,366 3.485,367 2.332,368 5.191,369 3.01,370 2.086,371 2.853,373 6.259,374 1.947,375 3.417,376 2.185,377 4.828,378 2.978,379 2,380 2.677,382 5.462,383 1.917,384 2.943,385 1.889,386 4.386,387 2.46,388 1.499,389 2.135,391 4.152,392 1.442,393 2.92,394 1.599,395 4.075,396 2.431,397 1.495,398 2.09,400 3.535,401 1.394,402 2.871,403 1.531,404 3.784,405 2.37,406 1.414,407 2.032,409 3.186,410 1.351,411 2.8,412 1.498,413 3.597,414 2.313,415 1.354,416 1.907,417 2.958,418 1.222,419 2.658,420 1.201,421 3.588,422 2.151,423 1.175,424 1.73,425 2.674,426 1.144,427 2.5,428 1.006,429 3.47,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.348,452 0.481,453 0.691,454 0.02,455 52.25,456 1.537,457 29,458 0.853,459 23.25,460 0.684,461 23.306,462 0.685,463 34.052,464 0.631,465 40.335,466 1.186,467 10.522,468 0.309,469 6.131,470 0.18,471 0.064,473 0.3,478 0.831,479 1.313,480 0.601,481 0.898,482 0.622,483 0.801,484 0.715,485 1.131,486 0.746,487 0.947,488 0.596,489 0.94,490 0.97,491 1.041,492 0.962,493 1.025,494 0.983,495 1.029,496 1.158,497 1.265,498 1.089,499 1.131,500 0.97,501 1.056,502 1.348,503 0.887,504 0.92,505 0.834,506 1.399,507 0.846,508 1.171,509 1.066,510 0.882,511 0.964,512 1.266,513 0.97,514 0.88,515 0.885,516 0.786,517 0.849,518 0.841,519 0.908,520 0.809,521 0.872,522 1.055,523 1.048,524 0.858,525 1.1,526 6,527 0.122,528 3.111,529 1.688,530 1.72,531 0.833,532 0.687,533 0.399,534 0.341,535 0.229,536 18563,537 54709,538 2.163,539 37,541 12,542 2,543 3,544 3,549 1.76,550 2.082,551 3.725,552 0.84,558 88.577,559 1.64,560 3.642,561 4.704,562 5.408,563 5.57,564 5.57,565 3.206,566 4.793,567 5.057,568 3.914,569 2195.55,570 8.87,571 34371.6,576 310.764,577 1.166,578 5.043,579 0.158,580 0.004,581 0.06,582 0.033,583 0.037,584 0.018,585 0.014,586 0.008,587 0.008,588 0.006,589 0.345,590 0.17,591 0.75,592 0.39,593 183.864,594 -0.101,595 -0.19,596 0.019,597 -0.03,598 -0.082,599 0.014,600 0.127,601 -0.023,602 -0.031,603 -0.066,604 0.062,605 -0.097,607 -0.017,608 -0.048,609 -0.079,610 -0.073,611 -0.095,612 -0.132,613 -0.271,614 -0.069,615 -0.163,616 -0.02,617 -0.087,618 -0.081,619 0.145,620 0.004,621 0.094,622 0.015,623 0.082,624 -0.163,625 -0.052,626 -0.076,627 -0.025,628 -0.126,629 -0.034,630 0.012,631 0.125,632 0.027,633 0.101,634 0.043,635 0.052,636 0.045,637 0.105,638 -0.116,639 -0.061,640 -0.064,641 -0.111,642 2.053,643 5.473,644 0.794,645 40.879,646 1.01,647 1.121,648 3.055,649 9.335,650 0.716,651 3.664,652 3.97,653 4.234,654 4.5,655 4.71,656 4.762,657 4.942,658 5.088,659 5.198,660 5.308,661 8.023,662 0.692,663 469.97,664 3.664,665 5.198,666 6.043,667 6.911,668 7.769,669 8.643,670 9.509,671 10.386,672 11.258,673 12.138,674 13,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,715 1,716 54,718 29,719 2,720 38,722 58,723 25,724 23,725 4,726 8,728 5,729 6,730 1,731 1,740 24,741 1,744 1,749 1,753 1,760 20,761 7,762 3,763 9,764 1,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,824 1,827 34,833 1,834 3,849 1,850 1.9,853 1,858 16.333,859 9.61,860 7.444,861 3,863 4.995,864 1.604,865 1.038,866 6.495,867 13.264,868 3.989,869 4.613,870 5.206,871 5.811,872 6.339,873 6.595,874 7.066,875 7.522,876 7.857,877 8.263,878 1,879 51,880 12.478,881 5.301,882 7.739,883 23.602,884 19.117,885 2.239,886 76.111,890 200.109,891 168.566,892 105.675,893 39.149,894 25.145,897 168.566,898 264.402,899 105.675,901 38.127,902 112.857,903 130.541,904 46.571,905 30.146,906 141.253,907 39.149,908 200.109,909 274.242,910 25.145,911 39.149,913 200.109,914 25.145,917 71.028,918 134.846,919 107.516,921 200.109,922 130.82,923 207.715,926 200.109,927 28.567,928 141.286,929 54.032,930 114.65,931 200.109,932 130.82,933 207.715,935 0.575,936 0.332,937 0.183,938 0.098,939 25,940 10,941 0.103,942 6,943 1,944 1.074,945 4.623,946 317.629,947 0.074,948 27,949 166.974,954 22.047,955 10.017,956 5.262,957 0.728,958 129.534,959 27.467,960 13.273,964 4.958,966 54.032,967 538.644,968 53,973 12.473,977 -0.386,980 54.549,981 60.548,983 0.285,984 0.633,985 0.817,986 0.94,987 0.968,988 0.968,989 5.198,990 1.499,991 6.004,992 5.462,993 4.654,994 5.301,995 1.897,996 6.779,997 4.556,998 6.404,999 1.495,1000 7.533,1001 4.152,1002 4.111,1003 4.997,1004 1.195,1005 7.573,1006 3.942,1007 7.701,1008 1.414,1009 9.161,1010 3.535,1011 6.209,1012 7.518,1013 2.448,1014 10.677,1015 6.014,1016 9.034,1017 1.354,1018 10.849,1019 3.186,1020 6.509,1021 8.074,1022 2.324,1023 12.324,1024 6.234,1025 10.399,1026 1.175,1027 12.577,1028 2.958,1029 8.035,1030 10.025,1031 3.25,1032 14.916,1033 7.737,1034 11.787,1035 1,1036 14.332,1037 2.674,1038 8.74,1039 11.015,1040 3.407,1041 16.927,1042 8.359,1043 13.193,1044 1,1045 16.107,1046 2.381,1047 10.02,1048 12.71,1049 4.157,1050 19.34,1051 9.61,1052 3.133,1053 0.879,1054 17.897,1055 2.2,1056 10.927,1057 13.935,1058 4.464,1059 21.517,1060 10.437,1061 2.851,1062 10.48,1063 19.698,1064 2.136,1065 12.101,1066 15.51,1067 5.112,1068 23.867,1069 11.571,1070 2.767,1071 8.972,1072 21.509,1073 4.516,1074 13.109,1075 16.861,1076 5.504,1077 26.123,1078 12.506,1079 2.521,1080 8.698,1081 23.327,1082 3.813,1083 14.239,1084 18.384,1085 6.091,1086 28.454,1087 13.589,1088 2.419,1089 7.191,1090 25.152,1091 3.779,1092 15.299,1093 19.804,1094 6.531,1095 30.748,1096 14.58,1097 2.086,1098 7.012,1099 26.982,1100 3.446,1101 16.415,1102 21.306,1103 7.083,1104 33.077,1105 15.643,1106 2,1107 6.259,1108 28.818,1109 3.124,1110 17.502,1111 22.762,1112 7.551,1113 35.392,1114 16.665,1115 17185,1116 29678,1117 26.235,1118 38.682,1119 56.696,1120 57.853,1121 57.153,1122 56.399,1123 56.351,1124 77.972,1125 5.121,1126 157.479,1127 53.487,1128 5.445,1129 5.575,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 11.186,1138 1.492,1139 1.522,1140 1.504,1141 1.484,1142 1.483,1143 2.052,1144 0.135,1145 4.144,1146 1.408,1147 4.128,1148 4.18,1149 4.103,1150 3.975,1151 7.431,1152 3.997,1153 3.925,1154 3.959,1155 4.005,1156 3.841,1157 5.115,1158 3.839,1159 3.877,1160 3.919,1161 3.824,1162 3.787,1163 4.942,1164 3.79,1165 3.854,1166 3.888,1167 3.805,1168 3.75,1169 4.895,1170 3.76,1171 3.434,1172 3.481,1173 3.407,1174 3.187,1175 4.744,1176 3.224,1177 3.342,1178 3.423,1179 3.287,1180 3.102,1181 4.438,1182 3.135,1183 3.191,1184 3.253,1185 3.253,1186 3.016,1187 4.348,1188 3.028,1189 2.916,1190 2.988,1191 3.097,1192 2.807,1193 4.115,1194 2.783,1195 0.12,1196 0.094,1197 0.173,1198 0.107,1199 0.082,1200 4.574,1201 0.119,1202 3.575,1203 0.044,1204 6.573,1205 0.276,1206 4.073,1207 0.078,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.88,1220 1.855,1221 1.98,1222 1.993,1223 1.09,1224 1.992,1225 1.855,1226 1.817,1227 1.969,1228 1.968,1229 1.058,1230 1.973,1231 1.737,1232 1.691,1233 1.819,1234 1.896,1235 0.907,1236 1.886,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.272,1244 1.224,1245 1.421,1246 1.574,1247 0.458,1248 1.53,1249 1.155,1250 1.072,1251 1.394,1252 1.423,1253 0.351,1254 1.423,1255 0.962,1256 0.914,1257 1.181,1258 1.132,1259 0.247,1260 1.131,1261 4.344,1263 5.652,1264 2.398,1265 7.152,1266 4.595,1267 8.74,1268 6.605,1269 10.373,1272 6.127,1277 0.589,1278 8.965,1289 37.38,1290 88.577,1291 196.677,1292 254.035,1293 292.009,1294 300.764,1295 300.764,1296 47.933,1297 8.27,1298 96.24,1299 96.24,1300 29,1301 12.676,1302 4.907,1303 4,1304 50.017,1305 162,1306 159,1307 0.146,1308 232.518,1309 388.8,1310 559.103,1311 53592,1312 1.9,1313 23.33,1314 0.686,1315 0.55,1316 23.83,1317 18.698,1318 16.653,1319 0.438,1320 0.288,1321 10.44,1322 15.803,1323 10.227,1324 8.483,1325 16.942,1326 10.928,1327 14.819,1328 0.285,1329 0.152,1330 15.19,1331 7.889,1332 12.425,1333 0.183,1334 0.08,1335 12.805,1336 5.451,1337 10.57,1338 0.119,1339 0.041,1340 10.823,1341 3.662,1342 8.459,1343 0.077,1344 0.022,1345 8.706,1346 2.384,1347 0.233,1348 106.879,1349 0.195,1350 31.788,1351 0.39,1352 180,1353 527.518,1354 211.416,1355 551.224,1356 754.38,1357 516,1358 210,1359 544.612,1360 238.517,1361 563.562,1362 820.65,1363 531,1364 5.538}
{0 CHEMBL1082108,1 1.64,2 13.765,3 4.151,4 17.228,5 134.152,6 9.526,7 0.737,8 4.114,9 4.232,10 3.896,11 3.707,12 5.296,13 3.7,14 4.581,15 4.728,16 4.285,17 4.087,18 5.77,19 4.055,20 4.813,21 5.004,22 4.386,23 4.193,24 5.912,25 4.125,26 4.825,27 5.035,28 4.266,29 4.124,30 5.914,31 4.051,32 4.801,33 5.015,34 4.285,35 4.06,36 5.969,37 4.023,38 4.752,39 4.944,40 4.16,41 4.108,42 5.879,43 4.055,44 4.787,45 4.992,46 4.25,47 4.158,48 5.901,49 4.089,50 4.78,51 4.983,52 4.192,53 4.157,54 5.841,55 4.055,56 0.064,57 0.849,58 6.667,59 4.06,60 8.024,61 4.728,62 0.284,63 1.337,64 12.915,65 6.749,66 22.403,67 8.074,68 0.379,69 1.589,70 27.016,71 9.561,72 36.491,73 11.431,74 0.294,75 1.57,76 35.442,77 10.224,78 34.932,79 12.149,80 0.527,81 1.536,82 31.266,83 8.822,84 53.211,85 10.102,86 0.321,87 1.475,88 23.545,89 8.791,90 39.199,91 10.454,92 0.402,93 1.533,94 22.684,95 9.294,96 43.703,97 11.55,98 0.39,99 1.492,100 29.605,101 10.118,102 33.483,103 12.44,104 5,105 52,106 0.265,107 0.588,108 0.76,109 0.874,110 0.9,111 0.9,112 3.56,113 0.896,114 -4.39,115 -4.32,116 -4.07,117 1,118 46.3,124 1,138 10,139 2,140 3,141 3,142 1,143 1,147 2,154 1,156 1,167 9,170 1,171 3,173 3,174 1,175 4,178 8,181 2,182 4,184 2,186 7,188 5,192 7,197 6,199 1,204 12,206 2,208 7,215 9,218 1,220 3,223 3,227 2,228 1,231 1,232 1,233 1,235 12,239 3,240 1,243 2,247 14,252 2,255 1,256 1,257 1,260 8,264 2242,265 23.447,266 23.447,267 23.447,268 23.447,269 23.447,270 19.947,271 21.405,272 14.106,273 24.018,274 18.83,275 18.83,276 18.83,277 18.83,278 18.83,279 13.645,280 32.084,281 6.771,282 19.832,283 4.115,284 2.113,285 1.051,286 0.347,287 0.185,288 0.185,289 4.271,294 1,295 1031,296 3.391,299 82.197,300 424.928,303 143.896,307 2.19,308 24.174,311 0.75,312 0.83,313 0.83,314 0.5,316 0.83,317 1,318 0.68,319 72.25,320 468,321 4.574,322 3.574,323 6.573,324 4.073,325 3.133,326 4.516,327 1.656,328 10.48,329 2.956,330 4.204,331 3.172,332 6.112,333 3.793,334 2.851,335 3.813,336 0.657,337 8.972,338 2.704,339 4.155,340 3.079,341 6.053,342 3.721,343 2.767,344 3.779,345 0.247,346 8.698,347 2.585,348 3.898,349 2.804,350 5.437,351 3.506,352 2.521,353 3.446,355 7.191,356 2.483,357 3.751,358 2.723,359 5.367,360 3.378,361 2.419,362 3.124,364 7.012,365 2.3,366 3.485,367 2.331,368 5.191,369 3.01,370 2.086,371 2.853,373 6.259,374 1.942,375 3.417,376 2.185,377 4.828,378 2.977,379 2,380 2.677,382 5.462,383 1.917,384 2.943,385 1.867,386 4.386,387 2.46,388 1.499,389 2.135,391 4.152,392 1.442,393 2.92,394 1.599,395 4.075,396 2.431,397 1.495,398 2.09,400 3.535,401 1.394,402 2.871,403 1.531,404 3.784,405 2.367,406 1.414,407 2.032,409 3.186,410 1.349,411 2.8,412 1.496,413 3.597,414 2.305,415 1.354,416 1.907,417 2.958,418 1.179,419 2.658,420 1.201,421 3.588,422 2.151,423 1.175,424 1.73,425 2.674,426 1.144,427 2.5,428 1.006,429 3.47,430 1.984,431 1,432 1.5,433 2.381,434 0.983,435 2.5,436 1,437 3.429,438 1.952,439 1,440 1.5,441 2.2,442 0.949,443 2.234,444 1,445 3.247,446 1.809,447 0.879,448 1.147,449 2.136,450 0.816,451 16.967,452 0.499,453 0.691,454 0.02,455 52,456 1.529,457 29,458 0.853,459 23,460 0.676,461 24.936,462 0.733,463 33.433,464 0.619,465 38.705,466 1.138,467 10.252,468 0.302,469 6.401,470 0.188,471 0.098,473 0.289,478 0.868,479 1.293,480 0.491,481 0.813,482 0.636,483 0.781,484 0.728,485 1.108,486 0.612,487 0.865,488 0.601,489 0.918,490 0.985,491 1.041,492 0.909,493 1.001,494 0.997,495 1.022,496 1.14,497 1.265,498 1.146,499 1.145,500 0.931,501 1.066,502 1.463,503 0.908,504 0.759,505 0.843,506 1.535,507 0.846,508 1.235,509 1.06,510 0.636,511 0.898,512 1.33,513 0.956,514 0.923,515 0.867,516 0.556,517 0.771,518 0.885,519 0.886,520 0.781,521 0.868,522 0.991,523 1.033,524 0.835,525 1.097,526 6,527 0.122,528 3.111,529 1.688,530 1.72,531 0.833,532 0.687,533 0.399,534 0.341,535 0.229,536 18563,537 54709,538 2.163,539 37,541 12,542 2,543 3,544 3,549 1.76,550 2.082,551 3.725,552 0.84,558 88.577,559 1.64,560 3.642,561 4.704,562 5.408,563 5.57,564 5.57,565 3.206,566 4.793,567 5.057,568 3.914,569 2195.55,570 8.87,571 34371.6,576 310.764,577 1.166,578 5.043,579 0.158,580 0.004,581 0.06,582 0.033,583 0.037,584 0.018,585 0.014,586 0.008,587 0.008,588 0.006,589 0.345,590 0.17,591 0.75,592 0.39,593 183.864,594 -0.104,595 -0.183,596 0.002,597 -0.023,598 -0.081,599 0.014,600 0.148,601 -0.01,602 -0.006,603 -0.041,604 0.07,605 -0.089,606 -0.005,607 -0.019,608 -0.015,609 -0.066,610 -0.084,611 -0.09,612 -0.119,613 -0.269,614 -0.081,615 -0.158,616 0.006,617 -0.093,618 -0.13,619 0.126,620 0.013,621 0.056,622 -0.048,623 0.076,624 -0.168,625 -0.051,626 -0.044,627 -0.026,628 -0.123,629 -0.036,630 0.016,631 0.139,632 0.031,633 0.11,634 0.041,635 0.059,636 0.065,637 0.107,638 -0.073,639 -0.06,640 -0.054,641 -0.112,642 1.998,643 5.511,644 0.794,645 40.879,646 1.008,647 1.119,648 3.156,649 9.962,650 0.725,651 3.664,652 3.97,653 4.234,654 4.5,655 4.71,656 4.762,657 4.942,658 5.088,659 5.198,660 5.308,661 8.023,662 0.696,663 514.42,664 3.664,665 5.198,666 6.043,667 6.911,668 7.769,669 8.643,670 9.509,671 10.386,672 11.258,673 12.138,674 13,679 1,681 2,682 1,684 3,689 1,690 15,691 3,695 7,697 28,709 1,715 1,716 54,718 29,719 2,720 38,721 1,722 58,723 25,724 23,725 4,726 8,728 5,729 6,731 1,740 24,741 1,744 1,749 1,753 1,760 20,761 7,762 3,763 9,764 1,766 1,769 7,775 0.8,776 1,784 1,787 1,793 1,794 4,797 1,819 4,822 1,827 34,833 1,834 3,849 1,850 1.9,853 1,858 16.333,859 9.61,860 7.444,861 3,863 4.995,864 1.604,865 1.042,866 6.631,867 13.264,868 3.989,869 4.613,870 5.206,871 5.811,872 6.339,873 6.595,874 7.066,875 7.522,876 7.857,877 8.263,878 1,879 51,880 12.482,881 5.283,882 7.699,883 23.712,884 19.202,885 2.199,886 74.75,890 200.109,891 168.121,892 151.629,894 25.145,897 214.075,898 225.254,899 105.675,901 38.127,902 112.857,903 130.541,904 46.125,905 30.146,906 141.253,907 45.954,908 200.109,909 273.796,910 25.145,912 45.954,913 200.109,914 25.145,917 71.028,918 134.401,919 68.367,920 45.954,921 200.109,922 130.82,923 214.075,926 200.109,927 28.121,928 141.286,929 99.986,930 75.502,931 200.109,932 130.82,933 214.075,935 0.575,936 0.332,937 0.183,938 0.098,939 25,940 10,941 0.103,942 6,943 1,944 1.074,945 4.623,946 317.629,947 0.074,948 27,949 168.974,954 22.232,955 10.141,956 5.34,957 0.736,958 129.534,959 27.962,960 13.295,964 5.523,966 54.032,967 545.004,968 53,973 12.511,977 -0.332,980 54.454,981 60.446,983 0.285,984 0.633,985 0.817,986 0.94,987 0.968,988 0.968,989 5.198,990 1.499,991 6.004,992 5.462,993 4.654,994 5.301,995 1.897,996 6.779,997 4.551,998 6.404,999 1.495,1000 7.533,1001 4.152,1002 4.111,1003 4.997,1004 1.195,1005 7.573,1006 3.93,1007 7.701,1008 1.414,1009 9.161,1010 3.535,1011 6.209,1012 7.518,1013 2.448,1014 10.677,1015 6.008,1016 9.034,1017 1.354,1018 10.849,1019 3.186,1020 6.509,1021 8.074,1022 2.324,1023 12.324,1024 6.222,1025 10.399,1026 1.175,1027 12.577,1028 2.958,1029 8.035,1030 10.025,1031 3.25,1032 14.916,1033 7.729,1034 11.787,1035 1,1036 14.332,1037 2.674,1038 8.74,1039 11.015,1040 3.407,1041 16.927,1042 8.346,1043 13.193,1044 1,1045 16.107,1046 2.381,1047 10.02,1048 12.71,1049 4.157,1050 19.34,1051 9.599,1052 3.133,1053 0.879,1054 17.897,1055 2.2,1056 10.927,1057 13.935,1058 4.464,1059 21.517,1060 10.423,1061 2.851,1062 10.48,1063 19.698,1064 2.136,1065 12.101,1066 15.51,1067 5.112,1068 23.867,1069 11.559,1070 2.767,1071 8.972,1072 21.509,1073 4.516,1074 13.109,1075 16.861,1076 5.504,1077 26.123,1078 12.492,1079 2.521,1080 8.698,1081 23.327,1082 3.813,1083 14.239,1084 18.384,1085 6.091,1086 28.454,1087 13.576,1088 2.419,1089 7.191,1090 25.152,1091 3.779,1092 15.299,1093 19.804,1094 6.531,1095 30.748,1096 14.566,1097 2.086,1098 7.012,1099 26.982,1100 3.446,1101 16.415,1102 21.306,1103 7.083,1104 33.077,1105 15.63,1106 2,1107 6.259,1108 28.818,1109 3.124,1110 17.502,1111 22.762,1112 7.551,1113 35.392,1114 16.652,1115 17185,1116 29678,1117 26.235,1118 39.176,1119 56.696,1120 57.808,1121 57.153,1122 56.434,1123 56.351,1124 77.972,1125 5.121,1126 157.479,1127 53.315,1128 5.445,1129 5.574,1130 6.375,1131 5.144,1132 5.133,1133 7.516,1134 2.912,1135 17.431,1136 4.956,1137 11.186,1138 1.492,1139 1.521,1140 1.504,1141 1.485,1142 1.483,1143 2.052,1144 0.135,1145 4.144,1146 1.403,1147 4.128,1148 4.18,1149 6.88,1150 3.975,1151 7.431,1152 3.997,1153 3.923,1154 3.958,1155 4.1,1156 3.858,1157 5.115,1158 3.844,1159 3.877,1160 3.919,1161 3.839,1162 3.787,1163 4.897,1164 3.79,1165 3.853,1166 3.887,1167 3.808,1168 3.75,1169 4.773,1170 3.76,1171 3.434,1172 3.481,1173 3.735,1174 3.187,1175 4.733,1176 3.224,1177 3.342,1178 3.423,1179 3.379,1180 3.102,1181 4.437,1182 3.135,1183 3.191,1184 3.253,1185 3.255,1186 3.016,1187 4.115,1188 3.028,1189 2.915,1190 2.988,1191 3.097,1192 2.884,1193 4.003,1194 2.804,1195 0.12,1196 0.094,1197 0.173,1198 0.107,1199 0.082,1200 4.574,1201 0.119,1202 3.574,1203 0.044,1204 6.573,1205 0.276,1206 4.073,1207 0.078,1208 3.133,1209 4.516,1210 1.656,1211 10.48,1212 2.956,1213 1.966,1214 1.935,1215 2.045,1216 2.107,1217 1.155,1218 2.085,1219 1.882,1220 1.857,1221 1.979,1222 1.991,1223 1.091,1224 1.991,1225 1.855,1226 1.817,1227 1.961,1228 1.965,1229 1.069,1230 1.971,1231 1.737,1232 1.691,1233 1.819,1234 1.896,1235 0.907,1236 1.886,1237 1.401,1238 1.341,1239 1.56,1240 1.613,1241 0.579,1242 1.603,1243 1.272,1244 1.224,1245 1.421,1246 1.574,1247 0.458,1248 1.53,1249 1.155,1250 1.072,1251 1.394,1252 1.423,1253 0.352,1254 1.423,1255 0.962,1256 0.915,1257 1.181,1258 1.132,1259 0.247,1260 1.131,1261 4.344,1263 5.652,1264 2.398,1265 7.152,1266 4.595,1267 8.74,1268 6.605,1269 10.373,1270 3.436,1277 0.596,1278 9.096,1289 37.577,1290 88.577,1291 196.677,1292 254.035,1293 292.009,1294 300.764,1295 300.764,1296 46.328,1297 8.27,1298 96.24,1299 96.24,1300 29,1301 12.676,1302 4.907,1303 4,1304 50.017,1305 162,1306 159,1307 0.146,1308 236.099,1309 392.87,1310 567.841,1311 53592,1312 1.9,1313 23.33,1314 0.686,1315 0.574,1316 24.33,1317 19.528,1318 16.653,1319 0.438,1320 0.299,1321 10.458,1322 15.555,1323 10.227,1324 8.483,1325 17.23,1326 11.343,1327 14.819,1328 0.285,1329 0.16,1330 15.56,1331 8.336,1332 12.425,1333 0.183,1334 0.085,1335 13.185,1336 5.813,1337 10.57,1338 0.119,1339 0.043,1340 11.077,1341 3.863,1342 8.459,1343 0.077,1344 0.023,1345 8.954,1346 2.517,1347 0.233,1348 112.075,1349 0.195,1350 31.788,1351 0.39,1352 180,1353 519.969,1354 261.767,1355 551.224,1356 754.38,1357 516,1358 210,1359 541.482,1360 261.34,1361 563.562,1362 820.65,1363 531,1364 5.77}
{0 CHEMBL1173655,1 1.772,2 12.294,3 3.917,4 15.346,5 129.707,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.726,15 4.893,16 4.197,17 4.056,18 5.876,19 4.048,20 4.942,21 5.121,22 4.274,23 4.171,24 6.139,25 4.13,26 4.967,27 5.208,28 4.165,29 4.132,30 6.015,31 4.071,32 4.859,33 5.044,34 4.213,35 4.152,36 6.044,37 4.113,38 4.952,39 5.142,40 4.295,41 4.21,42 6.103,43 4.177,44 5.02,45 5.215,46 4.308,47 4.226,48 6.246,49 4.183,50 4.972,51 5.17,52 4.257,53 4.155,54 6.172,55 4.11,56 0.126,57 0.934,58 10.471,59 5.109,60 11.754,61 6.243,62 0.505,63 1.435,64 22.484,65 8.349,66 37.14,67 10.323,68 0.846,69 1.652,70 32.099,71 10.804,72 74.613,73 13.267,74 0.744,75 1.618,76 35.818,77 11.177,78 69.081,79 15.245,80 0.694,81 1.557,82 28.054,83 10.023,84 61.354,85 13.071,86 0.675,87 1.688,88 29.735,89 10.483,90 57.05,91 13.739,92 0.913,93 1.738,94 33.344,95 10.965,96 99.041,97 14.109,98 0.789,99 1.647,100 34.542,101 11.01,102 79.644,103 14.064,104 32,105 51,106 0.287,107 0.661,108 0.834,109 0.882,110 0.882,111 0.882,112 3.561,113 0.903,114 -4.06,115 -4.01,116 -3.8,118 40.7,120 1,123 2,124 3,126 1,132 2,138 5,139 1,140 5,142 1,143 1,144 1,153 1,167 3,170 1,171 8,173 2,175 5,178 3,181 1,182 5,184 1,186 5,188 3,191 1,192 5,195 1,197 2,199 5,203 2,204 5,206 3,207 1,208 1,211 7,214 1,215 6,218 2,223 7,227 3,228 6,231 1,233 3,235 3,239 2,240 9,245 3,247 2,251 1,252 4,255 1,257 1,260 2,264 2346,265 22.739,266 22.739,267 22.739,268 22.739,269 22.739,270 20.314,271 32.664,272 13.563,273 23.485,274 18.303,275 18.303,276 18.303,277 18.303,278 18.303,279 14.602,280 46.591,281 6.532,282 19.582,283 4.11,284 1.8,285 0.731,286 0.432,287 0.432,288 0.432,289 4.254,290 1,294 1,295 888,296 4.062,299 86.25,300 299.294,304 161.313,307 1.841,308 42.381,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 75.333,320 418,321 4.58,322 3.499,323 6.591,324 4.113,325 3.146,326 4.514,327 1.058,328 10.562,329 3.041,330 4.22,331 3.312,332 6.107,333 3.774,334 2.846,335 3.872,336 0.916,337 8.973,338 2.637,339 4.044,340 3.241,341 5.948,342 3.655,343 2.723,344 3.528,345 0.86,346 8.314,347 2.529,348 3.721,349 3.017,350 5.369,351 3.436,352 2.483,353 3.007,354 0.86,355 6.999,356 2.357,357 3.566,358 2.691,359 5.354,360 3.272,361 2.314,362 2.875,363 0.4,364 6.816,365 2.203,366 3.455,367 2.643,368 5.056,369 3.144,370 2.218,371 2.66,372 0.172,373 6.034,374 2.034,375 3.322,376 2.437,377 4.945,378 3.061,379 2.109,380 2.502,382 5.602,383 1.976,384 3.215,385 2.125,386 4.644,387 2.828,388 1.869,389 2.235,391 5.126,392 1.78,393 2.978,394 2.037,395 4.415,396 2.476,397 1.549,398 2.187,400 4.261,401 1.431,402 2.82,403 1.932,404 4.041,405 2.319,406 1.414,407 1.948,409 3.523,410 1.217,411 2.665,412 1.549,413 3.871,414 2.222,415 1.315,416 1.687,417 3.096,418 1.19,419 2.517,420 1.509,421 3.425,422 2.005,423 1.094,424 1.342,425 2.489,426 0.991,427 2.185,428 1.358,429 3.265,430 1.956,431 0.989,432 1.17,433 2.115,434 0.944,435 1.679,436 0.938,437 3.09,438 1.543,439 0.618,440 0.618,441 1.372,442 0.566,443 1.618,444 0.832,445 3,446 1.344,447 0.424,448 0.505,449 1.106,450 0.383,451 16,452 0.471,453 0.873,454 0.026,455 43.5,456 1.279,457 20.5,458 0.603,459 23,460 0.676,461 29.588,462 0.87,463 37.4,464 0.634,465 37.102,466 1.091,467 8.869,468 0.261,469 7.516,470 0.221,471 0.146,473 0.338,477 1,478 0.748,479 1.32,480 0.63,481 1.102,482 0.58,483 0.954,484 1.004,485 0.987,486 0.748,487 0.861,488 0.63,489 0.834,490 1.08,491 1.167,492 0.98,493 1.089,494 0.907,495 1.076,496 0.83,497 0.859,498 0.735,499 0.796,500 0.79,501 0.778,502 0.691,503 0.804,504 0.854,505 0.971,506 0.81,507 0.962,508 0.848,509 1.007,510 0.755,511 0.974,512 0.832,513 0.955,514 1.043,515 0.894,516 0.894,517 0.891,518 1.191,519 0.957,520 1.042,521 1.083,522 1.002,523 1.06,524 1.132,525 1.018,526 7.5,527 0.289,528 3.333,529 1.972,530 1.986,531 1.007,532 0.945,533 0.657,534 0.501,535 0.294,536 16064,537 50340,538 2.059,539 42.4,541 20,543 1,544 2,547 2,549 1.767,550 1.925,551 3.565,552 0.235,558 104.576,559 1.772,560 4.082,561 5.152,562 5.45,563 5.45,564 5.45,565 3.067,566 4.735,567 5.051,568 3.759,569 2108.56,570 8.902,571 32537.3,576 347.076,577 1.419,578 5.016,579 0.203,580 0.008,581 0.065,582 0.039,583 0.041,584 0.019,585 0.017,586 0.012,587 0.01,588 0.007,589 0.423,590 0.33,591 0.88,592 1.454,593 181.75,594 -0.062,595 -0.212,596 0.03,597 -0.1,598 -0.048,599 -0.021,600 -0.086,601 0.035,602 0.041,603 0.09,604 0.033,605 0.088,606 -0.033,607 -0.158,608 -0.064,609 -0.109,610 0.01,611 -0.128,612 0.006,613 0.044,614 0.172,615 0.164,616 -0.004,617 0.224,618 0.108,619 0.127,620 -0.015,621 -0.008,622 0.02,623 -0.006,625 -0.049,626 0.031,627 -0.028,628 -0.021,629 -0.007,630 -0.05,631 0.032,632 -0.035,633 0.042,634 -0.056,635 -0.026,636 -0.036,637 -0.148,638 -0.019,639 -0.086,640 -0.033,641 -0.056,642 2.176,643 5.571,644 0.618,645 41.059,646 1.018,647 1.135,648 2.83,649 8.01,650 0.671,651 3.638,652 3.951,653 4.174,654 4.431,655 4.673,656 4.812,657 4.99,658 5.182,659 5.318,660 5.384,661 7.427,662 0.648,663 485.99,664 3.638,665 5.176,666 6.009,667 6.878,668 7.734,669 8.612,670 9.48,671 10.363,672 11.24,673 12.128,674 8.5,677 1,681 1,682 1,684 2,689 2,690 6,691 2,695 6,697 17,709 1,714 1,715 2,716 59,718 19,719 2,720 37,722 62,723 24,724 14,725 7,726 5,727 3,728 4,729 5,730 1,735 2,738 2,740 17,741 7,744 2,749 1,751 2,753 1,758 1,760 25,761 9,762 2,763 10,764 1,769 5,775 0.75,776 3,781 1,788 1,793 1,794 3,798 1,807 1,811 2,816 1,818 1,819 3,823 2,824 1,825 1,827 34,833 4,834 2,835 2,837 1,838 1,849 2,850 5.1,853 1,854 1,855 1,858 17.667,859 11.136,860 7.444,861 3.333,863 3.558,864 1.446,865 0.976,866 7.958,867 11.54,868 3.882,869 4.466,870 5.012,871 5.596,872 6.197,873 6.549,874 6.987,875 7.471,876 7.901,877 8.14,878 1,879 50,880 12.591,881 5.352,882 7.895,883 23.595,884 18.934,885 2.395,886 81.444,890 270.735,891 140.698,892 72.717,893 39.149,894 47.145,895 14.96,897 140.698,898 357.029,899 87.677,900 16.793,901 31.836,902 66.334,903 86.192,904 68.849,905 17.288,906 258.964,907 39.149,908 270.735,909 213.415,910 62.105,911 39.149,913 262.153,914 59.687,915 11,917 63.734,918 97.158,919 91.672,921 285.695,922 119.862,923 179.847,926 270.735,927 48.953,928 94.869,929 36.022,930 134.825,931 270.735,932 134.822,933 179.847,935 0.579,936 0.319,937 0.166,938 0.091,939 23,940 11,941 0.129,942 8,943 1,944 1.095,945 4.437,946 315.404,947 0.095,948 21,949 170.974,954 24.361,955 11.106,956 6.435,957 1.256,958 134.822,959 9.24,960 8.683,964 1.495,966 36.022,967 585.404,968 47.5,973 12.571,975 3.254,977 -0.287,980 60.047,981 66.971,983 0.301,984 0.694,985 0.876,986 0.927,987 0.927,988 0.927,989 5.119,990 1.869,991 5.989,992 5.602,993 4.635,994 5.153,995 2.082,996 6.765,997 4.508,998 6.318,999 1.549,1000 7.526,1001 5.126,1002 4.205,1003 4.987,1004 0.325,1005 7.573,1006 4.009,1007 7.616,1008 1.414,1009 9.158,1010 4.261,1011 6.196,1012 7.342,1013 1.903,1014 10.659,1015 5.967,1016 8.949,1017 1.315,1018 10.847,1019 3.523,1020 6.553,1021 7.999,1022 0.393,1023 12.29,1024 6.257,1025 10.312,1026 1.094,1027 12.572,1028 3.096,1029 8.019,1030 9.858,1031 1.815,1032 14.895,1033 7.696,1034 11.697,1035 0.989,1036 14.323,1037 2.489,1038 8.751,1039 10.923,1040 0.384,1041 16.899,1042 8.37,1043 13.102,1044 0.618,1045 16.093,1046 2.115,1047 10.001,1048 12.572,1049 1.774,1050 19.33,1051 9.594,1052 3.146,1053 0.424,1054 17.879,1055 1.372,1056 10.924,1057 13.85,1058 0.351,1059 21.511,1060 10.468,1061 2.846,1062 10.562,1063 19.677,1064 1.106,1065 12.085,1066 15.407,1067 1.767,1068 23.878,1069 11.602,1070 2.723,1071 8.973,1072 21.485,1073 4.514,1074 13.104,1075 16.792,1076 0.312,1077 26.144,1078 12.582,1079 2.483,1080 8.314,1081 23.302,1082 3.872,1083 14.232,1084 18.31,1085 1.786,1086 28.49,1087 13.682,1088 2.314,1089 6.999,1090 25.127,1091 3.528,1092 15.3,1093 19.751,1094 0.273,1095 30.797,1096 14.717,1097 2.218,1098 6.816,1099 26.958,1100 3.007,1101 16.419,1102 21.254,1103 1.825,1104 33.139,1105 15.809,1106 2.109,1107 6.034,1108 28.794,1109 2.875,1110 17.514,1111 22.723,1112 0.236,1113 35.467,1114 16.874,1115 15557,1116 27786,1117 24.561,1118 39.563,1119 54.995,1120 56.97,1121 55.654,1122 54.671,1123 54.582,1124 69.734,1125 8.534,1126 153.623,1127 50.851,1128 5.517,1129 5.499,1130 6.204,1131 5.231,1132 5.146,1133 7.514,1134 2.117,1135 17.503,1136 5.041,1137 18.08,1138 1.486,1139 1.54,1140 1.504,1141 1.478,1142 1.475,1143 1.885,1144 0.231,1145 4.152,1146 1.374,1147 4.088,1148 4.118,1149 4.079,1150 3.986,1151 8.201,1152 4,1153 3.891,1154 3.913,1155 3.983,1156 3.82,1157 7.43,1158 3.82,1159 3.784,1160 3.824,1161 3.683,1162 3.6,1163 5.089,1164 3.61,1165 3.745,1166 3.801,1167 3.645,1168 3.577,1169 4.858,1170 3.585,1171 3.525,1172 3.591,1173 3.449,1174 3.288,1175 4.747,1176 3.316,1177 3.362,1178 3.415,1179 3.341,1180 3.168,1181 4.521,1182 3.183,1183 3.121,1184 3.189,1185 3.247,1186 2.928,1187 4.418,1188 2.946,1189 2.999,1190 3.067,1191 3.013,1192 2.804,1193 4.364,1194 2.791,1195 0.124,1196 0.095,1197 0.178,1198 0.111,1199 0.085,1200 4.58,1201 0.122,1202 3.499,1203 0.029,1204 6.591,1205 0.285,1206 4.113,1207 0.082,1208 3.146,1209 4.514,1210 1.058,1211 10.562,1212 3.041,1213 2.013,1214 1.989,1215 2.063,1216 2.132,1217 1.214,1218 2.113,1219 1.856,1220 1.837,1221 1.928,1222 1.952,1223 1.154,1224 1.951,1225 1.699,1226 1.646,1227 1.902,1228 1.902,1229 1.047,1230 1.907,1231 1.565,1232 1.516,1233 1.803,1234 1.761,1235 1.033,1236 1.771,1237 1.435,1238 1.364,1239 1.665,1240 1.694,1241 0.793,1242 1.682,1243 1.319,1244 1.266,1245 1.577,1246 1.609,1247 0.699,1248 1.597,1249 1.263,1250 1.208,1251 1.44,1252 1.487,1253 0.469,1254 1.488,1255 1.044,1256 0.986,1257 1.417,1258 1.289,1259 0.46,1260 1.308,1261 4.317,1263 5.631,1264 2.398,1265 7.122,1266 4.443,1267 8.705,1268 6.26,1269 10.342,1271 3.841,1272 5.912,1273 13.552,1277 2.506,1278 6.034,1279 11.549,1281 -0.113,1282 1.95,1289 38.257,1290 104.576,1291 240.863,1292 303.957,1293 321.566,1294 321.566,1295 321.566,1296 72.926,1297 7.981,1298 88.61,1299 88.61,1300 23,1301 12.661,1302 4.322,1303 3.524,1304 56.504,1305 146,1306 166,1307 0.183,1308 237.63,1309 417.87,1310 571.578,1311 32653,1312 3.4,1313 24.079,1314 0.708,1315 0.577,1316 23.709,1317 19.603,1318 16.385,1319 0.443,1320 0.301,1321 10.578,1322 15.275,1323 10.289,1324 8.518,1325 16.263,1326 11.141,1327 15.028,1328 0.295,1329 0.167,1330 14.94,1331 8.506,1332 11.845,1333 0.185,1334 0.084,1335 11.446,1336 5.388,1337 9.611,1338 0.116,1339 0.043,1340 9.78,1341 3.6,1342 7.652,1343 0.072,1344 0.021,1345 7.561,1346 2.187,1347 0.285,1348 107.252,1349 0.202,1350 31.382,1351 0.507,1352 176,1353 623.122,1354 213.726,1355 596.032,1356 786.68,1357 556,1358 203,1359 538.678,1360 238.133,1361 548.304,1362 799.81,1363 512,1364 5}
{0 CHEMBL119385,1 2.02,2 10.857,3 5.899,4 34.795,5 108.721,6 11.791,7 0.387,8 3.774,9 3.838,10 3.754,11 3.491,12 5.111,13 3.475,14 4.233,15 4.313,16 4.208,17 3.877,18 5.662,19 3.854,20 4.482,21 4.592,22 4.384,23 4.012,24 5.898,25 3.974,26 4.438,27 4.536,28 4.398,29 3.951,30 6.022,31 3.907,32 4.407,33 4.505,34 4.383,35 3.838,36 6.04,37 3.841,38 4.352,39 4.493,40 4.1,41 3.765,42 5.776,43 3.725,44 4.206,45 4.376,46 3.773,47 3.576,48 5.546,49 3.494,50 3.952,51 4.131,52 3.814,53 3.378,54 5.329,55 3.275,56 0.206,57 0.631,58 0.365,59 2.485,60 21.925,61 2.257,62 0.385,63 1.026,64 1.321,65 4.245,66 37.279,67 3.606,68 0.661,69 1.354,70 13.947,71 7.433,72 83.324,73 5.947,74 0.817,75 1.307,76 16.405,77 7.013,78 110.113,79 5.367,80 0.753,81 1.119,82 12.655,83 6.115,84 80.618,85 4.523,86 0.674,87 1.044,88 9.362,89 5.601,90 70.44,91 4.465,92 0.581,93 0.955,94 14.148,95 5.842,96 62.946,97 5.374,98 0.47,99 0.837,100 15.059,101 5.159,102 56.905,103 4.94,104 26,105 45,106 0.356,107 0.661,108 0.797,109 0.88,110 0.88,111 0.88,112 3.375,113 0.917,114 -6.72,115 -6.54,116 -6.06,118 51.4,132 2,133 1,135 1,138 6,139 1,140 5,153 3,161 1,167 5,170 2,171 6,178 11,181 1,182 7,188 13,191 1,192 4,199 6,203 1,204 18,211 8,215 9,223 8,228 3,235 2,240 2,247 7,252 1,260 3,264 1112,265 18.654,266 18.654,267 18.654,268 18.654,269 18.654,270 16.187,271 19.118,272 10.719,273 19.305,274 15.266,275 15.266,276 15.266,277 15.266,278 15.266,279 11.457,280 21.577,281 5.067,282 16.502,283 3.189,284 1.461,285 0.689,286 0.216,287 0.216,288 0.216,289 4.069,290 2,294 1,295 659,296 2.55,300 301.744,304 114.555,307 1.745,308 45.737,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 62.167,320 304,321 4.659,322 4.62,323 7.045,324 4.27,325 3.3,326 4.28,327 3.37,328 12.073,329 3.195,330 4.265,331 3.709,332 6.252,333 3.817,334 2.906,335 3.894,336 1.208,337 9.257,338 2.633,339 4.146,340 3.398,341 6.088,342 3.716,343 2.786,344 3.648,345 0.618,346 8.827,347 2.561,348 3.818,349 3.258,350 5.582,351 3.343,352 2.406,353 3.147,355 7.21,356 2.237,357 3.456,358 2.94,359 5.197,360 3.061,361 2.136,362 2.745,364 6.279,365 1.929,366 3.318,367 2.8,368 4.913,369 2.859,370 1.934,371 2.481,373 5.588,374 1.763,375 3.232,376 2.623,377 4.841,378 2.707,379 1.879,380 2.474,382 5.104,383 1.664,384 3.15,385 2.376,386 4.646,387 2.703,388 1.743,389 2.222,391 4.741,392 1.441,393 2.839,394 2.108,395 4.127,396 2.363,397 1.415,398 1.945,400 3.648,401 1.347,402 2.817,403 1.524,404 4.057,405 2.34,406 1.351,407 1.916,409 3.312,410 1.309,411 2.536,412 1.309,413 3.542,414 1.813,415 0.871,416 1.291,417 2.117,418 0.8,419 1.915,420 1.178,421 3.085,422 1.29,423 0.398,424 0.508,425 0.971,426 0.338,427 1.597,428 1.113,429 2.973,430 1.186,431 0.288,432 0.363,433 0.691,434 0.232,435 1.272,436 0.832,437 2.564,438 0.751,439 -0.151,440 -0.204,441 -0.374,442 -0.125,443 1,444 0.445,445 2.407,446 0.473,447 -0.347,448 -0.445,449 -0.757,450 -0.229,451 13.867,452 0.495,453 0.822,454 0.029,455 38,456 1.357,457 20,458 0.714,459 18,460 0.643,461 22.586,462 0.807,463 28.133,464 0.76,465 29.769,466 1.063,467 7.754,468 0.277,469 5.681,470 0.203,471 0.168,473 0.389,477 2,478 0.545,479 0.806,480 0.518,481 0.692,482 0.533,483 0.676,484 0.664,485 0.945,486 0.658,487 0.829,488 0.596,489 0.805,490 1.041,491 1.056,492 1.087,493 1.075,494 0.981,495 0.926,496 0.972,497 0.954,498 1.174,499 1.072,500 0.92,501 1.004,502 0.753,503 0.916,504 1.028,505 1.166,506 0.786,507 1.015,508 0.972,509 0.769,510 1.043,511 0.838,512 0.908,513 1.041,514 0.932,515 0.837,516 1.172,517 1.059,518 0.85,519 1.233,520 0.817,521 0.849,522 0.508,523 0.761,524 0.963,525 0.901,526 6,527 0.182,528 3.556,529 2.563,530 2.524,531 0.826,532 0.764,533 0.443,534 0.222,535 0.269,536 9437,537 40448,538 2.072,539 24.3,541 8,543 1,549 1.711,550 1.909,551 3.35,552 -0.671,558 74.755,559 2.02,560 3.749,561 4.52,562 4.993,563 4.993,564 4.993,565 2.901,566 4.138,567 4.778,568 3.537,569 1337.15,570 8.312,571 17189.3,576 192.75,577 1.497,578 4.723,579 0.194,580 0.008,581 0.079,582 0.052,583 0.055,584 0.018,585 0.021,586 0.017,587 0.01,588 0.013,589 0.468,590 0.33,591 0.88,592 0.616,593 139.301,594 -0.003,595 -0.001,596 0.004,597 0.02,598 -0.043,599 0.007,600 -0.014,601 -0.083,602 0.004,603 -0.022,604 0.011,605 -0.056,606 -0.159,607 -0.085,608 -0.098,609 -0.05,610 -0.119,611 0.012,612 -0.02,613 -0.013,614 -0.099,615 -0.058,616 0.022,617 -0.098,618 0.132,619 -0.1,620 -0.011,621 -0.258,622 0.068,623 -0.157,624 -0.141,625 0.038,626 -0.11,627 0.038,628 -0.133,629 -0.074,630 -0.089,631 0.025,632 -0.137,633 -0.04,634 -0.065,635 -0.072,636 0.13,637 0.191,638 0.483,639 0.398,641 0.336,642 2.353,643 5.899,644 0.786,645 25.98,646 1.049,647 1.115,648 5.495,649 30.19,650 0.798,651 3.466,652 3.829,653 4.127,654 4.431,655 4.7,656 4.727,657 4.844,658 5.037,659 5.17,660 5.215,661 6.335,662 0.784,663 436.28,664 3.466,665 5.03,666 5.9,667 6.801,668 7.689,669 8.594,670 9.489,671 10.395,672 11.295,673 12.202,674 8.1,677 1,683 2,690 6,695 6,697 12,715 4,716 37,718 17,719 2,720 31,722 40,723 19,724 12,725 6,726 6,727 7,728 4,729 5,730 2,740 19,744 5,749 1,751 3,752 2,753 4,758 2,760 9,761 6,763 9,764 3,769 3,771 1,775 0.75,776 1,794 4,798 1,811 3,812 1,819 3,820 1,821 1,824 2,825 2,827 28,836 1,838 1,849 4,850 2.7,853 1,858 14.667,859 7.005,860 6.028,861 2.077,863 3.464,864 1.445,865 1.025,866 5.174,867 11.246,868 3.761,869 4.382,870 4.977,871 5.55,872 6.112,873 6.353,874 6.709,875 7.156,876 7.537,877 7.841,878 1,879 49,880 10.378,881 4.657,882 8.204,883 18.782,884 15.489,885 2.704,886 75.722,890 105.94,891 158.397,892 36.45,893 78.297,894 25.145,895 29.92,896 32.22,897 126.177,898 209.382,899 66.371,902 75.81,903 54.118,904 69.615,905 29.92,906 126.388,907 78.297,908 105.94,909 162.627,910 55.065,911 110.517,913 135.86,914 25.145,917 36.45,918 104.468,919 100.007,920 32.22,921 135.86,922 61.595,923 236.694,926 105.94,927 73.968,928 87.43,930 166.811,931 105.94,932 91.515,933 236.694,935 0.594,936 0.354,937 0.198,938 0.112,939 23,940 11,941 0.075,942 3,943 1,944 1.091,945 3.842,946 253.772,947 0.091,948 22,949 128.606,950 1,954 19.037,955 7.61,956 3.701,958 91.515,959 8.234,964 -0.132,967 434.149,968 42,973 12.431,975 4.53,976 8.19,977 0.593,980 38.8,981 41.268,983 0.388,984 0.72,985 0.868,986 0.958,987 0.958,988 0.958,989 5.024,990 1.743,991 5.911,992 5.104,993 4.511,994 5.069,995 3.31,996 6.765,997 4.36,998 6.262,999 1.415,1000 7.499,1001 4.741,1002 4.205,1003 4.913,1005 7.756,1006 3.93,1007 7.59,1008 1.351,1009 9.187,1010 3.648,1011 6.146,1012 7.27,1013 5.574,1014 10.894,1015 5.884,1016 8.95,1017 0.871,1018 10.934,1019 3.312,1020 6.621,1021 7.89,1023 12.737,1024 6.261,1025 10.34,1026 0.398,1027 12.719,1028 2.117,1029 8.072,1030 9.739,1031 7.985,1032 15.422,1033 7.719,1034 11.752,1035 0.288,1036 14.532,1037 0.971,1038 8.916,1039 10.745,1041 17.636,1042 8.495,1043 13.182,1044 -0.151,1045 16.367,1046 0.691,1047 10.179,1048 12.37,1049 10.413,1050 20.173,1051 9.752,1052 3.3,1053 -0.347,1054 18.22,1055 -0.374,1056 11.196,1057 13.577,1059 22.546,1060 10.723,1061 2.906,1062 12.073,1063 20.087,1064 -0.757,1065 12.39,1066 15.097,1067 12.843,1068 25.039,1069 11.902,1070 2.786,1071 9.257,1072 21.966,1073 4.28,1074 13.488,1075 16.409,1077 27.478,1078 12.968,1079 2.406,1080 8.827,1081 23.855,1082 3.894,1083 14.659,1084 17.88,1085 15.272,1086 29.962,1087 14.121,1088 2.136,1089 7.21,1090 25.753,1091 3.648,1092 15.797,1093 19.248,1095 32.428,1096 15.232,1097 1.934,1098 6.279,1099 27.659,1100 3.147,1101 16.965,1102 20.697,1103 17.702,1104 34.912,1105 16.38,1106 1.879,1107 5.588,1108 29.57,1109 2.745,1110 18.121,1111 22.096,1113 37.391,1114 17.513,1115 9030,1116 18837,1117 20.403,1118 29.517,1119 48.27,1120 51.825,1121 49.211,1122 47.199,1123 46.83,1124 61.825,1125 10.391,1126 139.634,1127 42.898,1128 5.486,1129 6.62,1130 6.59,1131 5.404,1132 5.3,1133 7.28,1134 6.74,1135 19.503,1136 5.195,1137 15.262,1138 1.557,1139 1.672,1140 1.587,1141 1.523,1142 1.511,1143 1.994,1144 0.335,1145 4.504,1146 1.384,1147 4.021,1148 4.042,1149 4.149,1150 3.958,1151 8.211,1152 3.954,1153 3.897,1154 3.915,1155 4.051,1156 3.851,1157 8.191,1158 3.834,1159 3.771,1160 3.805,1161 3.802,1162 3.66,1163 7.431,1164 3.668,1165 3.419,1166 3.448,1167 3.582,1168 3.289,1169 5.023,1170 3.286,1171 3.062,1172 3.11,1173 3.535,1174 2.95,1175 4.836,1176 2.93,1177 2.934,1178 2.968,1179 3.16,1180 2.849,1181 4.632,1182 2.815,1183 2.901,1184 2.934,1185 3.066,1186 2.824,1187 4.496,1188 2.803,1189 2.885,1190 2.918,1191 2.916,1192 2.733,1193 4.358,1194 2.733,1195 0.15,1196 0.149,1197 0.227,1198 0.138,1199 0.106,1200 4.659,1201 0.138,1202 4.62,1203 0.109,1204 7.045,1205 0.389,1206 4.27,1207 0.103,1208 3.3,1209 4.28,1210 3.37,1211 12.073,1212 3.195,1213 1.952,1214 1.939,1215 1.985,1216 2.047,1217 1.152,1218 2.035,1219 1.86,1220 1.845,1221 1.917,1222 1.944,1223 1.038,1224 1.945,1225 1.722,1226 1.69,1227 1.807,1228 1.849,1229 0.883,1230 1.848,1231 1.337,1232 1.31,1233 1.439,1234 1.522,1235 0.467,1236 1.504,1237 1.004,1238 0.959,1239 1.121,1240 1.178,1241 0.188,1242 1.171,1243 0.865,1244 0.827,1245 1.114,1246 1.068,1247 0.16,1248 1.08,1249 0.849,1250 0.825,1251 1,1252 0.989,1253 0.105,1254 1.004,1255 0.835,1256 0.802,1257 0.869,1258 0.962,1259 0.073,1260 0.979,1261 4.143,1263 5.493,1265 7.047,1267 8.699,1269 10.401,1272 12.496,1273 26.974,1280 1.018,1282 1.389,1289 29.022,1290 74.755,1291 138.711,1292 167.24,1293 184.75,1294 184.75,1295 184.75,1296 65.282,1297 7.782,1298 47.26,1299 72.56,1300 24,1301 12.72,1302 4.17,1303 3.585,1304 42.438,1305 108,1306 114,1307 0.198,1308 185.822,1309 339.84,1310 445.166,1311 25663,1312 10.8,1313 19.836,1314 0.708,1315 0.578,1316 19.449,1317 16.195,1318 13.436,1319 0.433,1320 0.306,1321 7.912,1322 11.887,1323 7.662,1324 6.261,1325 13.617,1326 9.471,1327 12.589,1328 0.28,1329 0.168,1330 12.874,1331 7.576,1332 10.617,1333 0.174,1334 0.09,1335 11.159,1336 5.52,1337 9.166,1338 0.11,1339 0.049,1340 10.128,1341 4.053,1342 7.701,1343 0.071,1344 0.026,1345 8.564,1346 2.785,1347 0.308,1348 94.793,1349 0.221,1350 26.455,1351 0.554,1352 152,1353 622.16,1354 225.339,1355 631.651,1356 821.71,1357 584,1358 182,1359 531.755,1360 244.079,1361 560.053,1362 827.23,1363 527,1364 5}
{0 CHEMBL1230020,1 2.082,2 10,3 3.768,4 14.197,5 98.861,6 10.094,7 0.552,8 3.85,9 3.929,10 3.793,11 3.455,12 5.092,13 3.441,14 4.377,15 4.493,16 4.109,17 3.831,18 5.867,19 3.816,20 4.639,21 4.795,22 4.219,23 3.907,24 6.08,25 3.898,26 4.633,27 4.775,28 4.268,29 3.839,30 6.398,31 3.861,32 4.566,33 4.696,34 4.176,35 3.776,36 6.311,37 3.796,38 4.493,39 4.637,40 4.131,41 3.713,42 6.047,43 3.736,44 4.464,45 4.621,46 4.02,47 3.632,48 6.303,49 3.635,50 4.354,51 4.54,52 3.938,53 3.524,54 5.865,55 3.479,56 0.225,57 0.758,58 5.948,59 3.96,60 39.021,61 3.501,62 0.571,63 1.185,64 13.505,65 7.01,66 90.283,67 6.806,68 0.941,69 1.471,70 23.616,71 9.001,72 143.309,73 8.416,74 1.292,75 1.6,76 24.487,77 9.13,78 227.35,79 7.35,80 1.187,81 1.303,82 17.657,83 7.732,84 198.265,85 6.459,86 0.968,87 1.433,88 19.899,89 7.853,90 154.093,91 6.642,92 1.18,93 1.35,94 14.778,95 7.11,96 213.546,97 6.515,98 0.907,99 1.03,100 20.115,101 7.122,102 129.051,103 6.493,104 54,105 43,106 0.362,107 0.736,108 0.857,109 0.885,110 0.885,111 0.885,112 3.341,113 1.026,114 -3.76,115 -3.72,116 -3.54,118 41.5,119 1,120 1,124 1,138 3,139 3,140 4,141 1,147 1,152 1,156 1,167 4,170 1,171 3,173 3,175 3,178 4,182 6,186 4,188 3,192 6,195 1,197 2,199 3,203 1,204 6,206 1,208 2,211 3,215 1,220 2,223 6,227 2,228 3,232 1,233 2,235 3,240 4,243 1,247 2,252 3,255 2,257 1,260 3,264 1117,265 17.508,266 17.508,267 17.508,268 17.508,269 17.508,270 15.102,271 9.931,272 9.968,273 17.991,274 14.211,275 14.211,276 14.211,277 14.211,278 14.211,279 10.454,280 6.141,281 4.577,282 15.1,283 3.276,284 1.122,285 0.427,286 0.262,287 0.262,288 0.262,289 4.011,290 1,293 1,294 1,295 566,296 4,299 58.129,300 162.885,303 109.256,307 1.556,308 63.062,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 61.833,320 270,321 4.724,322 4.459,323 6.959,324 4.283,325 3.307,326 4.565,328 11.67,329 3.247,330 4.647,331 3.72,332 6.747,333 4.139,334 3.194,335 4.496,337 11.053,338 2.988,339 4.416,340 3.21,341 6.525,342 3.929,343 2.974,344 4.166,346 10.176,347 2.821,348 3.788,349 3,350 5.766,351 3.358,352 2.398,353 3.218,355 7.61,356 2.292,357 3.556,358 2.71,359 5.372,360 3.077,361 2.175,362 2.938,364 6.414,365 1.937,366 3.401,367 2.628,368 4.959,369 2.92,370 2.002,371 2.727,373 5.783,374 1.752,375 3.073,376 1.949,377 4.652,378 2.592,379 1.639,380 2.306,382 4.574,383 1.549,384 2.782,385 1.727,386 4.324,387 2.273,388 1.306,389 1.885,391 3.618,392 1.248,393 2.533,394 1.261,395 3.878,396 2.117,397 1.127,398 1.482,400 2.556,401 1.113,402 2.182,403 1.238,404 3.602,405 1.977,406 1.015,407 1.16,409 1.918,410 0.956,411 2.03,412 0.882,413 3.229,414 1.471,415 0.545,416 0.778,417 1.353,418 0.489,419 1.598,420 0.757,421 3.02,422 1.254,423 0.338,424 0.405,425 0.807,426 0.304,427 1.17,428 0.74,429 2.749,430 0.744,431 -0.179,432 -0.223,433 -0.442,434 -0.148,435 1,436 0.407,437 2.568,438 0.448,439 -0.397,440 -0.52,441 -0.789,442 -0.283,443 0.999,444 0.19,445 2.375,446 0.429,447 -0.494,448 -0.527,449 -0.931,450 -0.439,451 12.819,452 0.475,453 0.941,454 0.035,455 36.25,456 1.343,457 19,458 0.704,459 17.25,460 0.639,461 21.809,462 0.808,463 29.781,464 0.726,465 30.411,466 1.126,467 6.951,468 0.257,469 5.78,470 0.214,471 0.217,472 0.065,473 0.351,477 2,478 0.545,479 1.045,480 0.652,481 1.107,482 0.589,483 0.838,484 0.601,485 1.008,486 0.811,487 1.044,488 0.576,489 0.906,490 1.049,491 1.064,492 0.963,493 0.993,494 1.044,495 0.902,496 1.154,497 1.098,498 0.967,499 1.031,500 1.161,501 0.836,502 1.193,503 1,504 0.86,505 0.827,506 1.299,507 0.876,508 1.309,509 1.321,510 0.95,511 1.085,512 1.408,513 0.992,514 1.103,515 1.251,516 0.806,517 0.882,518 1.06,519 1.024,520 1.14,521 1.143,522 1.028,523 1.063,524 1.106,525 1.037,526 7,527 0.132,528 4,529 2.882,530 2.138,531 1.08,532 0.94,533 0.494,534 0.351,535 0.195,536 7608,537 31568,538 1.963,539 34.1,540 3,541 5,542 1,543 1,544 2,546 2,549 1.706,550 1.77,551 3.28,552 0.377,554 1,558 85.36,559 2.082,560 4.235,561 4.93,562 5.095,563 5.095,564 5.095,565 2.718,566 4.533,567 4.726,568 3.426,569 1202.48,570 8.23,571 14929.7,573 1,575 1,576 219.66,577 1.74,578 4.637,579 0.241,580 0.01,581 0.093,582 0.064,583 0.048,584 0.026,585 0.025,586 0.015,587 0.013,588 0.01,589 0.545,590 0.33,591 1,592 1.385,593 131.774,595 -0.071,596 0.107,597 -0.061,598 -0.074,599 0.039,600 0.086,601 -0.084,602 -0.019,603 -0.062,604 0.106,605 0.007,606 -0.131,607 -0.118,608 -0.028,609 -0.02,610 -0.118,611 0.06,612 0.016,613 0.042,614 -0.024,615 0.018,616 0.078,617 0.084,618 -0.032,619 0.004,620 -0.026,621 0.083,622 -0.038,623 0.007,624 -0.117,625 -0.097,626 -0.024,627 -0.121,628 -0.212,629 -0.068,630 0.149,631 0.049,632 -0.013,633 0.019,634 0.193,635 -0.127,636 -0.05,637 -0.017,638 0.079,639 -0.026,640 -0.064,641 -0.02,642 4.731,643 6.786,644 0.556,645 22.217,646 1.046,647 1.136,648 2.526,649 6.381,650 0.71,651 3.401,652 3.784,653 4.043,654 4.331,655 4.511,656 4.585,657 4.7,658 4.787,659 4.754,660 4.762,661 5.899,662 0.699,663 413.86,664 3.401,665 4.977,666 5.838,667 6.751,668 7.633,669 8.548,670 9.44,671 10.356,672 11.253,673 12.168,674 7.3,679 1,682 1,684 1,689 2,690 5,691 1,692 1,695 6,697 16,702 1,715 3,716 41,718 19,719 1,720 29,722 43,723 17,724 13,725 4,726 2,727 1,728 3,729 4,730 1,732 1,738 1,740 14,741 3,744 3,747 1,749 3,753 1,757 1,758 2,760 14,761 7,762 2,763 10,764 2,769 3,775 0.667,776 3,787 1,789 1,793 1,794 2,797 1,819 2,821 1,823 1,824 1,825 2,827 27,831 1,833 2,834 1,849 3,850 7.3,853 3,858 15.25,859 7.712,860 5.861,861 2.453,863 3.302,864 1.454,865 1.005,866 5.406,867 10.574,868 3.714,869 4.416,870 4.972,871 5.604,872 6.116,873 6.447,874 6.841,875 7.227,876 7.379,877 7.689,878 0.857,879 45,880 10.447,881 5.068,882 8.464,883 18.068,884 15.038,885 2.964,886 80.028,889 1,890 141.253,891 104.883,892 49.976,893 39.149,894 69.458,895 29.92,896 5.807,897 99.075,898 249.86,899 79.896,900 8.825,901 3.434,902 43.284,903 121.268,904 59.276,905 41.691,906 117.711,907 39.149,908 141.253,909 149.051,910 99.378,911 44.956,913 147.631,914 93,917 39.808,918 76.053,919 78.147,921 171.173,922 119.434,923 144.031,925 5.807,926 141.253,927 43.727,928 55.349,929 33.191,930 155.312,931 141.253,932 149.354,933 144.031,935 0.596,936 0.348,937 0.191,938 0.098,939 21,940 11,941 0.14,942 6,943 1,944 1.133,945 3.627,946 235.898,947 0.133,948 15,949 126.382,953 1,954 19.589,955 7.451,956 3.92,957 0.617,958 132.569,959 5.835,960 3.99,961 2.728,964 -3.55,966 33.191,967 434.639,968 40,971 -3.814,973 36.519,977 -0.961,980 42.898,981 46.573,983 0.389,984 0.791,985 0.92,986 0.951,987 0.951,988 0.951,989 4.977,990 1.306,991 5.894,992 4.574,993 4.466,994 5.103,996 6.792,997 4.357,998 6.261,999 1.127,1000 7.52,1001 3.618,1002 4.369,1003 5.33,1005 8.019,1006 4.188,1007 7.643,1008 1.015,1009 9.251,1010 2.556,1011 6.196,1012 7.508,1014 11.06,1015 6.005,1016 9.065,1017 0.545,1018 11.04,1019 1.918,1020 6.858,1021 8.488,1023 13.027,1024 6.609,1025 10.516,1026 0.338,1027 12.864,1028 1.353,1029 8.243,1030 10.229,1032 15.659,1033 7.981,1034 11.987,1035 -0.179,1036 14.712,1037 0.807,1038 9.207,1039 11.509,1041 17.899,1042 8.901,1043 13.473,1044 -0.397,1045 16.576,1046 -0.442,1047 10.446,1048 13.1,1050 20.4,1051 10.119,1052 3.307,1053 -0.494,1054 18.452,1055 -0.789,1056 11.533,1057 14.504,1059 22.748,1060 11.169,1061 3.194,1062 11.67,1063 20.337,1064 -0.931,1065 12.723,1066 16.04,1068 25.202,1069 12.335,1070 2.974,1071 11.053,1072 22.229,1073 4.565,1074 13.859,1075 17.498,1077 27.595,1078 13.44,1079 2.398,1080 10.176,1081 24.127,1082 4.496,1083 15.035,1084 19.012,1086 30.033,1087 14.591,1088 2.175,1089 7.61,1090 26.028,1091 4.166,1092 16.192,1093 20.494,1095 32.448,1096 15.721,1097 2.002,1098 6.414,1099 27.934,1100 3.218,1101 17.364,1102 22.001,1104 34.881,1105 16.87,1106 1.639,1107 5.783,1108 29.842,1109 2.938,1110 18.531,1111 23.494,1113 37.306,1114 18.012,1115 7624,1116 15673,1117 18.205,1118 29.091,1119 44.355,1120 47.401,1121 46.895,1122 44.271,1123 44.04,1124 60.252,1126 135.065,1127 41.391,1128 5.574,1129 6.459,1130 6.676,1131 5.326,1132 5.307,1133 7.565,1135 19.344,1136 5.247,1137 17.232,1138 1.529,1139 1.635,1140 1.617,1141 1.527,1142 1.519,1143 2.078,1145 4.657,1146 1.427,1147 4.134,1148 4.162,1149 4.723,1150 4.042,1151 8.21,1152 4.042,1153 4.02,1154 4.013,1155 4.141,1156 3.963,1157 8.191,1158 3.89,1159 3.836,1160 3.833,1161 3.89,1162 3.767,1163 7.716,1164 3.723,1165 3.435,1166 3.478,1167 3.659,1168 3.321,1169 7.427,1170 3.321,1171 3.392,1172 3.441,1173 3.24,1174 3.23,1175 6.999,1176 3.185,1177 3.138,1178 3.164,1179 3.155,1180 2.94,1181 5.103,1182 2.964,1183 2.937,1184 2.985,1185 2.936,1186 2.723,1187 4.66,1188 2.748,1189 2.789,1190 2.857,1191 2.808,1192 2.594,1193 4.502,1194 2.613,1195 0.163,1196 0.154,1197 0.24,1198 0.148,1199 0.114,1200 4.724,1201 0.157,1202 4.459,1204 6.959,1205 0.402,1206 4.283,1207 0.112,1208 3.307,1209 4.565,1211 11.67,1212 3.247,1213 1.941,1214 1.935,1215 1.968,1216 2.044,1217 1.273,1218 2.055,1219 1.851,1220 1.838,1221 1.904,1222 1.973,1223 1.104,1224 1.969,1225 1.748,1226 1.747,1227 1.877,1228 1.88,1229 1.001,1230 1.906,1231 1.499,1232 1.451,1233 1.623,1234 1.702,1235 0.7,1236 1.691,1237 1.33,1238 1.292,1239 1.376,1240 1.547,1241 0.631,1242 1.593,1243 1.083,1244 1.047,1245 1.202,1246 1.282,1247 0.275,1248 1.265,1249 0.841,1250 0.814,1251 1.068,1252 1.096,1253 0.19,1254 1.102,1255 0.825,1256 0.773,1257 0.999,1258 0.997,1259 0.096,1260 1.001,1261 4.078,1263 5.442,1264 2.398,1265 6.995,1266 4.727,1267 8.636,1268 6.843,1269 10.324,1271 1.644,1272 5.876,1273 29.029,1277 0.076,1278 2.039,1289 28.677,1290 85.36,1291 173.644,1292 202.15,1293 208.905,1294 208.905,1295 208.905,1296 96.218,1297 7.271,1298 91.92,1299 100.3,1300 17,1301 12.683,1302 4.322,1303 3.585,1304 46.765,1305 93,1306 109,1307 0.246,1308 182.473,1309 316.99,1310 436.993,1311 12953,1312 7.3,1313 19.767,1314 0.732,1315 0.577,1316 18.777,1317 15.587,1318 12.731,1319 0.439,1320 0.342,1321 7.923,1322 11.074,1323 7.606,1324 6.276,1325 13.035,1326 9.92,1327 12.312,1328 0.286,1329 0.188,1330 13.071,1331 8.064,1332 9.756,1333 0.174,1334 0.098,1335 9.888,1336 5.482,1337 8.468,1338 0.113,1339 0.052,1340 8.641,1341 3.917,1342 6.216,1343 0.069,1344 0.025,1345 6.326,1346 2.255,1347 0.377,1348 92.697,1349 0.234,1350 25.434,1351 0.705,1352 144,1353 626.803,1354 212.35,1355 598.762,1356 768.64,1357 546,1358 171,1359 494.02,1360 242.126,1361 528.44,1362 773.65,1363 494,1364 5}
{0 CHEMBL1230790,1 1.6,2 6.55,3 2.159,4 4.66,5 78.257,6 7.695,7 0.727,8 3.681,9 3.813,10 3.271,11 3.181,12 4.881,13 3.182,14 4.156,15 4.337,16 3.651,17 3.553,18 5.304,19 3.543,20 4.365,21 4.566,22 3.708,23 3.656,24 5.499,25 3.635,26 4.446,27 4.679,28 3.7,29 3.665,30 5.579,31 3.626,32 4.361,33 4.573,34 3.547,35 3.623,36 5.466,37 3.566,38 4.314,39 4.516,40 3.468,41 3.564,42 5.463,43 3.492,44 4.399,45 4.672,46 3.1,47 3.42,48 5.524,49 3.266,50 4.17,51 4.502,52 2.396,53 2.99,54 5.052,55 2.755,56 0.082,57 0.569,58 6.955,59 2.75,60 11.316,61 3.657,62 0.157,63 0.874,64 12.315,65 4.498,66 18.121,67 6.316,68 0.224,69 1.014,70 16.084,71 4.99,72 24.678,73 7.245,74 0.336,75 1.058,76 18.445,77 5.572,78 35.337,79 8.232,80 0.275,81 0.976,82 16.203,83 4.936,84 30.088,85 7.256,86 0.201,87 0.919,88 15.067,89 5.041,90 23.631,91 7.319,92 0.399,93 0.834,94 19.121,95 5.585,96 56.893,97 8.571,98 0.265,99 0.527,100 17.428,101 5.244,102 39.984,103 7.941,104 18,105 32,106 0.291,107 0.699,108 0.791,109 0.832,110 0.832,111 0.832,112 3.06,113 0.867,114 -4.12,115 -4.07,116 -3.85,118 40,119 2,126 1,138 4,139 2,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 7,172 1,173 1,175 3,178 6,180 1,181 1,182 5,186 2,188 4,191 2,192 7,194 3,195 3,197 2,199 3,201 1,204 6,206 1,208 3,211 3,213 2,215 5,218 1,220 3,223 4,225 3,228 2,231 2,232 1,233 1,234 1,235 2,237 1,245 2,247 2,264 456,265 13.276,266 13.276,267 13.276,268 13.276,269 13.276,270 11.393,271 11.643,272 7.685,273 13.578,274 10.85,275 10.85,276 10.85,277 10.85,278 10.85,279 7.987,280 8.663,281 3.618,282 11.348,283 3.529,284 1.293,285 0.786,286 0.557,287 0.557,288 0.557,289 3.733,292 1,293 1,294 1,295 277,296 2.55,299 36.651,300 99.59,303 70.309,307 0.995,308 19.131,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 43.5,320 131,321 4.758,322 3.374,323 7.039,324 4.299,325 3.336,326 4.731,328 12.085,329 3.215,330 4.076,331 2.8,332 6.155,333 3.67,334 2.699,335 3.693,337 8.868,338 2.616,339 3.794,340 2.624,341 5.781,342 3.441,343 2.488,344 3.201,346 7.684,347 2.368,348 3.506,349 2.297,350 5.034,351 3.081,352 2.133,353 2.876,355 5.931,356 2.016,357 3.025,358 1.82,359 4.817,360 2.682,361 1.741,362 2.197,364 4.817,365 1.634,366 2.954,367 1.536,368 4.35,369 2.434,370 1.49,371 2.118,373 3.913,374 1.402,375 2.681,376 1.228,377 3.854,378 2.179,379 1.204,380 1.765,382 2.786,383 1.171,384 2.457,385 1,386 3.508,387 1.964,388 1,389 1.438,391 2.515,392 0.962,393 2.112,394 0.815,395 3.445,396 1.738,397 0.778,398 1.007,400 1.978,401 0.745,402 1.063,403 -0.057,404 2.608,405 0.634,406 -0.285,407 -0.362,409 -0.664,410 -0.26,411 0.953,412 -0.152,413 2.417,414 0.533,415 -0.4,416 -0.507,417 -0.892,418 -0.367,419 0.769,420 -0.61,421 2.252,422 0.33,423 -0.633,424 -0.852,425 -1.809,426 -0.607,427 0.562,428 -0.813,429 2,430 0.065,431 -0.875,432 -1,433 -2,434 -0.819,435 0.169,436 -1,437 2,439 -1,440 -1.158,441 -2.441,442 -1,444 -1.118,445 1.671,446 -0.222,447 -1.19,448 -1.634,449 -3.324,450 -1.152,451 9.333,452 0.467,453 0.597,454 0.03,455 28.25,456 1.413,457 15,458 0.75,459 13.25,460 0.663,461 13.895,462 0.695,463 21.267,464 0.608,465 19.059,466 0.953,467 5.458,468 0.273,469 4.118,470 0.206,471 0.186,473 0.418,478 0.965,479 1.247,480 0.79,481 0.996,482 1.101,483 0.887,484 0.69,485 1.123,486 0.67,487 0.944,488 0.534,489 0.822,490 1.139,491 1.226,492 0.916,493 0.976,494 0.936,495 0.913,496 0.893,497 0.919,498 0.875,499 0.868,500 0.801,501 0.86,502 1.132,503 1.109,504 1.183,505 1.054,506 0.873,507 1.1,508 0.969,509 1.336,510 1.215,511 1.353,512 1.005,513 1.322,514 0.895,515 0.896,516 1.266,517 1.142,518 1.022,519 1.238,520 1.022,521 0.627,522 0.944,523 0.881,524 1.208,525 0.914,526 4,528 2.444,529 1.979,530 1.616,531 0.716,532 0.478,533 0.227,534 0.061,536 3203,537 8940,538 2.048,539 42.9,541 5,543 1,544 3,546 6,549 1.627,550 1.875,551 2.771,552 1.152,554 1,556 1,558 56.009,559 1.6,560 3.836,561 4.343,562 4.572,563 4.572,564 4.572,565 2.148,566 4.022,567 4.294,568 2.876,569 546.466,570 7.384,571 5449.55,572 1,573 1,575 1,576 179.525,577 1.522,578 4.231,579 0.182,581 0.076,582 0.06,583 0.05,584 0.027,585 0.02,586 0.016,587 0.01,589 0.442,590 0.67,591 1,592 0.897,593 85.637,594 -0.075,595 -0.042,596 0.024,597 0.035,598 -0.218,599 0.041,600 0.127,601 0.002,602 0.204,603 0.06,604 0.138,605 0.129,606 -0.14,607 -0.148,608 0.004,609 -0.018,610 -0.066,611 0.012,612 0.063,613 0.122,614 0.084,615 0.067,616 0.046,617 0.075,618 -0.19,619 -0.031,620 -0.266,621 -0.107,622 -0.07,623 -0.177,624 -0.089,625 -0.277,626 -0.314,627 -0.378,628 -0.103,629 -0.38,630 0.074,631 0.008,632 -0.254,633 -0.201,634 0.041,635 -0.263,636 0.009,637 0.047,638 0.179,639 0.118,640 0.024,641 0.169,642 1.481,643 3.635,644 0.75,645 12.4,646 1.007,647 1.136,648 2.891,649 8.355,650 0.665,651 3.135,652 3.497,653 3.807,654 4.143,655 4.394,656 4.5,657 4.554,658 4.595,659 4.477,660 4.369,661 4.333,662 0.642,663 269.34,664 3.135,665 4.691,666 5.565,667 6.475,668 7.377,669 8.297,670 9.21,671 10.133,672 11.051,673 11.976,674 14.3,678 1,682 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,708 1,713 1,716 35,718 16,719 1,720 22,722 37,723 14,724 11,725 2,726 4,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,760 15,761 5,762 3,763 6,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,827 20,828 1,832 1,837 1,850 2.9,852 1,858 10.667,859 6.833,860 4.333,861 2.046,863 3.128,864 1.463,865 0.967,866 3.067,867 9.883,868 3.434,869 4.123,870 4.811,871 5.504,872 6.085,873 6.472,874 6.894,875 7.312,876 7.512,877 7.765,878 1,879 33,880 7.333,881 3.123,882 7.817,883 13.811,884 11.246,885 2.317,886 46.333,890 141.253,891 76.733,892 84.908,894 42.683,897 76.733,898 183.937,899 84.908,900 17.65,902 70.802,903 106.404,904 18.91,905 2.328,906 129.482,908 141.253,909 161.64,910 42.683,913 70.627,914 113.31,917 32.518,918 78.889,919 50.234,921 141.253,922 127.591,923 76.733,926 141.253,927 12.559,928 65.951,930 125.815,931 141.253,932 127.591,933 76.733,935 0.591,936 0.349,937 0.201,938 0.118,939 17,940 8,941 0.054,942 2,943 1,944 1.133,945 3.088,946 159.323,947 0.133,948 15,949 84.439,954 12.881,955 4.762,956 2.136,957 1.414,958 125.815,959 8.345,960 12.902,964 2.045,965 1.812,966 75.581,967 345.577,968 30,980 35.254,981 39.777,983 0.312,984 0.748,985 0.847,986 0.891,987 0.891,988 0.891,989 4.673,990 1,991 5.58,992 2.786,993 4.174,994 4.808,996 6.457,997 4.09,998 5.922,999 0.778,1000 7.18,1001 2.515,1002 3.892,1003 4.745,1005 7.503,1006 3.765,1007 7.258,1008 -0.285,1009 8.884,1010 1.978,1011 5.82,1012 7.138,1014 10.662,1015 5.66,1016 8.636,1017 -0.4,1018 10.649,1019 -0.664,1020 6.347,1021 7.93,1023 12.57,1024 6.149,1025 10.05,1026 -0.633,1027 12.455,1028 -0.892,1029 7.795,1030 9.81,1032 15.271,1033 7.566,1034 11.49,1035 -0.875,1036 14.288,1037 -1.809,1038 8.691,1039 11.013,1041 17.53,1042 8.425,1043 12.953,1044 -1,1045 16.143,1046 -2,1047 9.963,1048 12.686,1050 20.082,1051 9.665,1052 3.336,1053 -1.19,1054 18.015,1055 -2.441,1056 11.026,1057 14.082,1059 22.482,1060 10.69,1061 2.699,1062 12.085,1063 19.9,1064 -3.324,1065 12.238,1066 15.674,1068 24.988,1069 11.869,1070 2.488,1071 8.868,1072 21.795,1073 4.731,1074 13.376,1075 17.157,1077 27.443,1078 12.969,1079 2.133,1080 7.684,1081 23.7,1082 3.693,1083 14.571,1084 18.721,1086 29.937,1087 14.13,1088 1.741,1089 5.931,1090 25.611,1091 3.201,1092 15.743,1093 20.243,1095 32.413,1096 15.264,1097 1.49,1098 4.817,1099 27.528,1100 2.876,1101 16.937,1102 21.797,1104 34.904,1105 16.422,1106 1.204,1107 3.913,1108 29.451,1109 2.197,1110 18.123,1111 23.336,1113 37.389,1114 17.572,1115 3215,1116 5479,1117 14.334,1118 23.29,1119 34.181,1120 33.627,1121 35.597,1122 33.794,1123 33.739,1124 46.051,1126 101.15,1127 32.258,1128 5.421,1129 5.374,1130 6.59,1131 5.372,1132 5.336,1133 7.731,1135 19.546,1136 5.215,1137 10.52,1138 1.554,1139 1.529,1140 1.618,1141 1.536,1142 1.534,1143 2.093,1145 4.598,1146 1.466,1147 4.131,1148 4.178,1149 4.114,1150 3.992,1151 6.471,1152 4.014,1153 3.833,1154 3.863,1155 3.776,1156 3.73,1157 5.254,1158 3.739,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 4.873,1164 3.399,1165 3.206,1166 3.287,1167 3.117,1168 2.985,1169 4.619,1170 3.013,1171 3.004,1172 3.113,1173 2.884,1174 2.746,1175 4.451,1176 2.75,1177 2.93,1178 3.009,1179 2.804,1180 2.693,1181 4.068,1182 2.73,1183 2.874,1184 2.971,1185 2.624,1186 2.618,1187 3.711,1188 2.59,1189 2.761,1190 2.834,1191 2.499,1192 2.587,1193 3.533,1194 2.57,1195 0.216,1196 0.153,1197 0.32,1198 0.195,1199 0.152,1200 4.758,1201 0.215,1202 3.374,1204 7.039,1205 0.549,1206 4.299,1207 0.146,1208 3.336,1209 4.731,1211 12.085,1212 3.215,1213 1.927,1214 1.907,1215 2.008,1216 2.037,1217 1.153,1218 2.021,1219 1.795,1220 1.747,1221 1.946,1222 1.981,1223 1.106,1224 1.972,1225 1.61,1226 1.546,1227 1.775,1228 1.809,1229 0.831,1230 1.811,1231 1.147,1232 1.087,1233 1.417,1234 1.407,1235 0.469,1236 1.379,1237 0.934,1238 0.839,1239 1.277,1240 1.239,1241 0.298,1242 1.308,1243 0.883,1244 0.804,1245 1.167,1246 1.23,1247 0.143,1248 1.216,1249 0.879,1250 0.783,1251 1.13,1252 1.134,1253 0.04,1254 1.13,1255 0.761,1256 0.67,1257 0.99,1258 1.063,1260 1.056,1261 3.807,1263 5.153,1264 2.398,1265 6.701,1266 4.844,1267 8.344,1268 7.081,1269 10.039,1271 4.05,1275 5.979,1276 9.635,1281 0.151,1289 22.456,1290 56.009,1291 134.264,1292 152.015,1293 160.015,1294 160.015,1295 160.015,1296 28.505,1297 6.755,1298 89.85,1299 89.85,1300 17,1301 12.483,1302 4.087,1303 3.17,1304 29.609,1305 51,1306 48,1307 0.298,1308 140.359,1309 226.29,1310 334.236,1311 6245,1313 14.276,1314 0.714,1315 0.564,1316 14.276,1317 11.278,1318 9.575,1319 0.435,1320 0.289,1321 6.263,1322 9.18,1323 6.061,1324 5.082,1325 9.575,1326 6.357,1327 8.989,1328 0.281,1329 0.153,1330 8.989,1331 4.895,1332 7.376,1333 0.168,1334 0.071,1335 7.376,1336 3.127,1337 6.511,1338 0.105,1339 0.036,1340 6.511,1341 2.211,1342 5.35,1343 0.067,1344 0.019,1345 5.35,1346 1.5,1347 0.436,1348 60.172,1349 0.264,1350 19.171,1351 0.922,1352 108,1353 310.042,1354 119.54,1355 306.875,1356 429.14,1357 286,1358 130,1359 334.323,1360 142.291,1361 338.239,1362 496.7,1363 318,1364 6.5}
{0 CHEMBL1233881,1 1.617,2 8.583,3 2.613,4 6.827,5 92.135,6 7.568,7 0.593,8 3.894,9 4.016,10 3.486,11 3.373,12 5.013,13 3.38,14 4.412,15 4.591,16 3.81,17 3.724,18 5.451,19 3.717,20 4.536,21 4.728,22 3.922,23 3.825,24 5.596,25 3.815,26 4.607,27 4.797,28 3.942,29 3.888,30 5.716,31 3.865,32 4.684,33 4.894,34 3.801,35 3.914,36 5.676,37 3.849,38 4.626,39 4.842,40 3.743,41 3.858,42 5.622,43 3.775,44 4.659,45 4.92,46 3.591,47 3.736,48 5.615,49 3.627,50 4.497,51 4.763,52 3.329,53 3.495,54 5.417,55 3.38,56 0.073,57 0.677,58 8.848,59 3.641,60 9.562,61 4.785,62 0.307,63 1.025,64 17.287,65 5.848,66 23.523,67 7.899,68 0.341,69 1.168,70 19.599,71 6.257,72 23.824,73 9.031,74 0.366,75 1.267,76 20.779,77 6.754,78 32.174,79 9.455,80 0.439,81 1.276,82 23.538,83 7.359,84 35.422,85 10.511,86 0.301,87 1.216,88 21.661,89 7.435,90 28.397,91 10.929,92 0.479,93 1.117,94 24.65,95 7.476,96 42.798,97 11.419,98 0.444,99 0.877,100 21.657,101 6.428,102 37.55,103 9.583,104 14,105 39,106 0.281,107 0.637,108 0.758,109 0.807,110 0.816,111 0.824,112 3.23,113 0.882,114 -4.38,115 -4.31,116 -4.07,118 39.5,120 3,123 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 9,172 1,173 1,175 1,178 4,180 1,181 2,182 10,188 3,191 2,192 10,194 3,195 3,197 1,199 3,201 1,203 1,204 7,208 2,211 3,213 2,214 2,215 5,220 3,223 5,225 3,227 3,228 1,230 1,231 1,233 1,235 4,237 1,239 2,240 2,242 1,243 1,247 1,252 3,264 788,265 16.671,266 16.671,267 16.671,268 16.671,269 16.671,270 14.84,271 16.719,272 9.58,273 17.259,274 13.196,275 13.196,276 13.196,277 13.196,278 13.196,279 10.255,280 15.44,281 4.325,282 13.965,283 3.809,284 1.758,285 1.065,286 0.779,287 0.733,288 0.686,289 3.922,292 1,293 1,294 1,295 451,296 2.55,298 45.207,299 46.85,300 127.358,303 89.844,307 1.201,308 20.445,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52.5,320 206,321 4.765,322 3.397,323 7.051,324 4.313,325 3.35,326 4.733,327 0.86,328 12.148,329 3.228,330 4.263,331 3.182,332 6.289,333 3.855,334 2.902,335 3.916,336 0.86,337 9.462,338 2.765,339 3.897,340 2.809,341 6.128,342 3.652,343 2.689,344 3.253,346 8.896,347 2.584,348 3.708,349 2.452,350 5.747,351 3.313,352 2.36,353 3.113,355 7.61,356 2.241,357 3.256,358 2.178,359 5.096,360 2.944,361 1.995,362 2.39,364 5.747,365 1.89,366 3.008,367 2.041,368 4.516,369 2.523,370 1.614,371 2.248,373 4.324,374 1.461,375 2.919,376 1.562,377 4.33,378 2.462,379 1.524,380 2.057,382 3.982,383 1.425,384 2.615,385 1.298,386 4.245,387 2.194,388 1.235,389 1.659,391 3.476,392 1.182,393 2.42,394 1.155,395 3.656,396 1.968,397 1.038,398 1.395,400 2.517,401 0.961,402 1.869,403 0.944,404 3.043,405 1.544,406 0.647,407 0.77,409 1.184,410 0.575,411 1.457,412 0.906,413 2.972,414 1.292,415 0.344,416 0.374,417 0.768,418 0.311,419 1.43,420 0.352,421 2.702,422 1.182,423 0.3,424 0.332,425 0.443,426 0.274,427 1.045,429 2.618,430 1,435 1,436 -0.002,437 2.465,438 0.627,439 -0.29,440 -0.364,441 -0.647,442 -0.266,443 0.867,444 -0.192,445 2.404,446 0.472,447 -0.452,448 -0.562,449 -0.879,450 -0.411,451 11.167,452 0.465,453 0.534,454 0.022,455 32,456 1.333,457 15.5,458 0.646,459 16.5,460 0.688,461 18.463,462 0.769,463 26.033,464 0.605,465 22.616,466 0.942,467 6.176,468 0.257,469 5.548,470 0.231,471 0.125,473 0.394,478 0.889,479 1.345,480 0.757,481 1.156,482 0.945,483 0.964,484 1.213,485 1.03,486 0.829,487 0.867,488 0.865,489 0.804,490 0.925,491 1.21,492 0.771,493 0.933,494 0.739,495 0.832,496 1.039,497 1.079,498 0.978,499 1.023,500 1,501 0.989,502 1.239,503 1.048,504 1.188,505 0.999,506 1.158,507 1.066,508 0.711,509 1.263,510 1.069,511 1.266,512 1.047,513 1.23,514 0.707,515 0.957,516 0.981,517 1.037,518 1.056,519 1.046,520 0.974,521 0.891,522 1.024,523 1.019,524 0.902,525 1.032,526 4,527 0.045,528 3,529 2.042,530 1.829,531 0.83,532 0.505,533 0.448,534 0.228,535 0.097,536 5806,537 14901,538 2.135,539 44.2,540 2,541 10,543 1,544 2,546 4,549 1.677,550 2,551 3.086,552 0.337,553 1,554 1,556 1,558 69.522,559 1.617,560 3.668,561 4.362,562 4.647,563 4.693,564 4.74,565 2.471,566 4.502,567 4.555,568 3.19,569 880.426,570 7.902,571 9940.48,573 1,575 1,576 233.329,577 1.406,578 4.518,579 0.148,580 0.009,581 0.081,582 0.05,583 0.045,584 0.024,585 0.016,586 0.017,587 0.012,588 0.008,589 0.41,590 0.17,591 1,592 0.865,593 111.154,594 -0.017,595 -0.124,596 0.073,597 -0.083,598 -0.045,599 -0.002,600 -0.075,601 0.053,602 0.108,603 0.137,604 0.064,605 0.143,606 0.064,607 -0.121,608 0.161,609 0.054,610 0.157,611 0.118,612 -0.04,613 0.049,614 -0.056,615 -0.057,616 0.013,617 -0.063,618 -0.225,619 0.006,620 -0.244,621 -0.023,622 -0.217,623 -0.119,624 0.036,625 -0.213,626 -0.156,627 -0.262,628 -0.097,629 -0.245,630 0.168,631 -0.015,632 0.012,633 -0.08,634 0.018,635 -0.06,636 0.103,637 -0.016,638 0.008,639 -0.065,640 0.119,641 -0.047,642 1.227,643 2.134,644 0.792,645 18.319,646 1.008,647 1.135,648 3.148,649 9.911,650 0.657,651 3.332,652 3.689,653 4.06,654 4.344,655 4.615,656 4.787,657 4.956,658 5.094,659 5.112,660 5.081,661 5.146,662 0.633,663 325.41,664 3.332,665 4.89,666 5.784,667 6.696,668 7.609,669 8.531,670 9.452,671 10.379,672 11.304,673 12.233,674 11.6,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 43,718 16,719 1,720 27,722 46,723 17,724 11,725 3,726 3,728 4,729 5,735 4,738 4,740 11,741 6,756 1,757 1,760 19,761 6,762 2,763 7,769 5,775 0.75,776 2,785 1,788 1,792 1,793 1,794 2,797 1,819 3,823 2,827 24,828 1,833 3,835 2,837 1,850 4.7,855 2,858 12,859 8.383,860 5.361,861 2.53,863 3.123,864 1.426,865 0.999,866 3.866,867 10.454,868 3.584,869 4.245,870 4.948,871 5.607,872 6.2,873 6.635,874 7.106,875 7.563,876 7.856,877 8.141,878 0.833,879 41,880 8.831,881 3.772,882 7.646,883 16.989,884 14.136,885 2.146,886 51.5,889 1,890 200.109,891 89.462,892 84.908,894 22,897 89.462,898 222.109,899 84.908,900 21.766,901 7.604,902 61.326,903 63.72,904 51.397,905 2.328,906 188.338,908 200.109,909 174.37,910 22,913 153.024,914 69.084,917 22.471,918 101.665,919 50.234,921 200.109,922 106.908,923 89.462,926 200.109,927 30.649,928 60.59,930 105.131,931 200.109,932 106.908,933 89.462,935 0.58,936 0.369,937 0.202,938 0.111,939 21,940 9,941 0.087,942 4,943 1,944 1.105,945 3.539,946 210.158,947 0.105,948 19,949 104.039,954 15.364,955 6.039,956 2.463,957 1.577,958 105.131,959 7.202,960 13.376,964 3.438,965 1.989,966 32.897,967 396.479,968 35,980 43.349,981 48.817,983 0.298,984 0.676,985 0.804,986 0.856,987 0.865,988 0.874,989 4.836,990 1.235,991 5.784,992 3.982,993 4.369,994 4.931,995 1.376,996 6.671,997 4.269,998 6.061,999 1.038,1000 7.387,1001 3.476,1002 4.007,1003 4.856,1005 7.722,1006 3.871,1007 7.402,1008 0.647,1009 9.094,1010 2.517,1011 6.047,1012 7.249,1013 1.159,1014 10.883,1015 5.871,1016 8.784,1017 0.344,1018 10.862,1019 1.184,1020 6.538,1021 8.053,1023 12.777,1024 6.319,1025 10.201,1026 0.3,1027 12.668,1028 0.768,1029 8.025,1030 9.909,1031 0.963,1032 15.46,1033 7.777,1034 11.644,1036 14.501,1037 0.443,1038 8.899,1039 11.117,1041 17.698,1042 8.606,1043 13.106,1044 -0.29,1045 16.353,1047 10.181,1048 12.772,1049 0.787,1050 20.236,1051 9.86,1052 3.35,1053 -0.452,1054 18.219,1055 -0.647,1056 11.228,1057 14.166,1059 22.618,1060 10.864,1061 2.902,1062 12.148,1063 20.097,1064 -0.879,1065 12.439,1066 15.747,1067 0.634,1068 25.114,1069 12.044,1070 2.689,1071 9.462,1072 21.985,1073 4.733,1074 13.564,1075 17.224,1077 27.558,1078 13.128,1079 2.36,1080 8.896,1081 23.88,1082 3.916,1083 14.754,1084 18.78,1085 0.504,1086 30.046,1087 14.285,1088 1.995,1089 7.61,1090 25.783,1091 3.253,1092 15.915,1093 20.296,1095 32.517,1096 15.408,1097 1.614,1098 5.747,1099 27.691,1100 3.113,1101 17.102,1102 21.844,1103 0.395,1104 35.006,1105 16.561,1106 1.524,1107 4.324,1108 29.604,1109 2.39,1110 18.281,1111 23.378,1113 37.49,1114 17.703,1115 5583,1116 9068,1117 18.205,1118 28.267,1119 40.104,1120 40.787,1121 42.591,1122 40.026,1123 39.998,1124 52.479,1125 3.44,1126 121.111,1127 37.792,1128 5.765,1129 5.397,1130 6.669,1131 5.386,1132 5.35,1133 7.733,1134 1.72,1135 19.679,1136 5.228,1137 10.64,1138 1.485,1139 1.511,1140 1.577,1141 1.482,1142 1.481,1143 1.944,1144 0.127,1145 4.486,1146 1.4,1147 4.149,1148 4.197,1149 4.128,1150 4.008,1151 5.257,1152 4.03,1153 3.875,1154 3.901,1155 3.821,1156 3.772,1157 4.943,1158 3.777,1159 3.768,1160 3.819,1161 3.659,1162 3.641,1163 4.836,1164 3.642,1165 3.313,1166 3.382,1167 3.234,1168 3.057,1169 4.518,1170 3.09,1171 3.247,1172 3.314,1173 3.052,1174 2.952,1175 4.494,1176 2.961,1177 3.173,1178 3.263,1179 3.032,1180 2.883,1181 4.274,1182 2.906,1183 2.992,1184 3.098,1185 2.863,1186 2.721,1187 4.105,1188 2.747,1189 2.783,1190 2.859,1191 2.601,1192 2.636,1193 3.691,1194 2.617,1195 0.176,1196 0.126,1197 0.261,1198 0.16,1199 0.124,1200 4.765,1201 0.175,1202 3.397,1203 0.032,1204 7.051,1205 0.45,1206 4.313,1207 0.12,1208 3.35,1209 4.733,1210 0.86,1211 12.148,1212 3.228,1213 1.932,1214 1.911,1215 2.096,1216 2.088,1217 1.491,1218 2.087,1219 1.9,1220 1.851,1221 1.992,1222 2.02,1223 1.127,1224 2.011,1225 1.716,1226 1.678,1227 1.795,1228 1.892,1229 0.865,1230 1.873,1231 1.263,1232 1.208,1233 1.576,1234 1.554,1235 0.576,1236 1.546,1237 1.191,1238 1.115,1239 1.566,1240 1.523,1241 0.574,1242 1.539,1243 1.106,1244 1.017,1245 1.281,1246 1.419,1247 0.387,1248 1.4,1249 0.887,1250 0.811,1251 1.142,1252 1.199,1253 0.325,1254 1.188,1255 0.8,1256 0.726,1257 1.083,1258 1.083,1259 0.188,1260 1.088,1261 4.007,1263 5.389,1264 2.398,1265 6.963,1266 4.844,1267 8.624,1268 7.081,1269 10.331,1271 3.23,1275 6.134,1277 3.455,1279 10.713,1281 0.385,1289 27.224,1290 69.522,1291 157.714,1292 187.555,1293 199.82,1294 201.82,1295 203.82,1296 31.753,1297 7.33,1298 88.08,1299 88.08,1300 21,1301 12.737,1302 4.087,1303 3.17,1304 33.582,1305 72,1306 80,1307 0.231,1308 165.739,1309 274.62,1310 396.163,1311 12916,1313 16.681,1314 0.695,1315 0.57,1316 16.681,1317 13.691,1318 11.724,1319 0.434,1320 0.294,1321 7.775,1322 11.103,1323 7.579,1324 6.294,1325 11.724,1326 7.937,1327 10.314,1328 0.264,1329 0.151,1330 10.314,1331 5.905,1332 9.527,1333 0.167,1334 0.081,1335 9.527,1336 4.596,1337 7.87,1338 0.104,1339 0.038,1340 7.87,1341 2.863,1342 6.498,1343 0.065,1344 0.02,1345 6.498,1346 1.984,1347 0.347,1348 74.717,1349 0.234,1350 22.771,1351 0.684,1352 132,1353 391.364,1354 147.193,1355 372.409,1356 523.21,1357 352,1358 162,1359 401.384,1360 179.053,1361 405.227,1362 598.62,1363 379,1364 5.854}
{0 CHEMBL1233882,1 1.465,2 8.043,3 2.612,4 6.825,5 90.484,6 7.805,7 0.808,8 3.791,9 3.924,10 3.414,11 3.348,12 4.948,13 3.341,14 4.285,15 4.464,16 3.798,17 3.735,18 5.383,19 3.717,20 4.487,21 4.69,22 3.868,23 3.852,24 5.565,25 3.821,26 4.561,27 4.788,28 3.82,29 3.857,30 5.644,31 3.801,32 4.488,33 4.705,34 3.654,35 3.801,36 5.489,37 3.724,38 4.428,39 4.64,40 3.608,41 3.731,42 5.502,43 3.652,44 4.497,45 4.764,46 3.393,47 3.642,48 5.479,49 3.521,50 4.337,51 4.646,52 3.13,53 3.4,54 5.211,55 3.244,56 0.046,57 0.654,58 7.273,59 3.04,60 8.667,61 4.033,62 0.141,63 1.029,64 13.478,65 5.082,66 16.445,67 7.001,68 0.163,69 1.214,70 17.402,71 5.88,72 19.112,73 8.292,74 0.303,75 1.264,76 19.775,77 6.562,78 31.778,79 9.31,80 0.174,81 1.155,82 17.891,83 6.144,84 22.112,85 8.653,86 0.14,87 1.093,88 16.567,89 5.952,90 24.112,91 8.384,92 0.24,93 1.077,94 20.128,95 6.375,96 35.112,97 9.35,98 0.226,99 0.844,100 18.901,101 6.414,102 29.778,103 9.639,104 11,105 38,106 0.256,107 0.648,108 0.785,109 0.837,110 0.837,111 0.837,112 3.19,113 0.864,114 -4.45,115 -4.38,116 -4.13,118 43.6,119 2,126 1,138 5,139 3,141 1,142 2,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 10,172 1,173 1,175 1,178 8,180 1,181 1,182 8,188 7,191 2,192 9,194 3,195 3,197 1,199 7,201 1,204 7,208 2,211 4,213 2,214 1,215 9,220 4,223 5,225 4,227 1,228 3,233 1,235 4,237 1,239 2,240 2,242 1,243 1,245 1,247 2,249 1,252 2,260 2,264 677,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.264,271 9.487,272 9.059,273 15.962,274 12.838,275 12.838,276 12.838,277 12.838,278 12.838,279 9.221,280 7.5,281 4.27,282 13.357,283 3.82,284 1.581,285 0.798,286 0.5,287 0.5,288 0.5,289 3.888,292 1,293 1,294 1,295 407,296 2.646,299 40.642,300 150.345,303 78.29,304 83.376,307 1.18,308 15.894,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 49,320 185,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.222,330 4.396,331 2.923,332 6.247,333 3.895,334 2.913,335 4.324,337 9.372,338 2.856,339 3.85,340 2.664,341 6.069,342 3.511,343 2.554,344 3.298,346 8.561,347 2.442,348 3.744,349 2.399,350 5.712,351 3.327,352 2.367,353 3.179,355 7.453,356 2.272,357 3.118,358 1.822,359 4.82,360 2.685,361 1.744,362 2.427,364 4.819,365 1.638,366 3.08,367 1.618,368 4.531,369 2.605,370 1.618,371 2.368,373 4.487,374 1.595,375 3.016,376 1.579,377 4.367,378 2.524,379 1.579,380 2.141,382 4.088,383 1.488,384 2.86,385 1.368,386 3.864,387 2.332,388 1.368,389 2.035,391 2.999,392 1.315,393 2.527,394 1.059,395 3.614,396 2.008,397 1.058,398 1.539,400 2.733,401 1.002,402 2.186,403 0.856,404 3.486,405 1.794,406 0.827,407 1.077,409 2.06,410 0.798,411 2.085,412 0.639,413 3.162,414 1.6,415 0.632,416 0.922,417 1.506,418 0.611,419 1.084,420 -0.144,421 2.682,422 0.658,423 -0.273,424 -0.348,425 -0.643,426 -0.251,427 1.03,428 -0.409,429 2.425,430 0.54,431 -0.415,432 -0.587,433 -1.037,434 -0.398,435 0.882,436 -0.618,437 2.262,438 0.367,439 -0.618,440 -0.927,441 -1.598,442 -0.608,443 0.644,444 -0.776,445 2.229,446 0.127,447 -0.811,448 -1,449 -2,450 -0.756,451 10.9,452 0.474,453 0.61,454 0.027,455 34,456 1.478,457 18.5,458 0.804,459 15.5,460 0.674,461 16.133,462 0.701,463 23.3,464 0.597,465 23.007,466 1,467 6.505,468 0.283,469 4.643,470 0.202,471 0.128,473 0.404,478 0.868,479 1.228,480 0.738,481 0.978,482 1.076,483 0.864,484 0.81,485 1.066,486 0.699,487 0.873,488 0.64,489 0.789,490 1.168,491 1.149,492 0.884,493 0.921,494 0.839,495 0.872,496 1.032,497 0.88,498 0.971,499 0.89,500 1.002,501 0.916,502 1.272,503 1.084,504 1.181,505 1.083,506 1.049,507 1.112,508 1.074,509 1.243,510 1.157,511 1.245,512 1.168,513 1.219,514 1.216,515 0.979,516 1.201,517 1.06,518 1.553,519 1.116,520 0.536,521 0.733,522 0.792,523 0.867,524 0.603,525 0.867,526 4,527 0.025,528 2.889,529 1.917,530 1.869,531 0.799,532 0.485,533 0.38,534 0.179,535 0.082,536 5247,537 13268,538 2.141,539 41,541 6,543 2,544 2,546 6,549 1.663,550 2,551 3.014,552 0.321,553 1,554 1,556 1,558 57.134,559 1.465,560 3.704,561 4.487,562 4.785,563 4.785,564 4.785,565 2.442,566 4.437,567 4.497,568 3.132,569 792.408,570 7.773,571 8620.42,572 1,573 1,574 1,575 1,576 206.131,577 1.422,578 4.454,579 0.154,580 0.008,581 0.076,582 0.048,583 0.051,584 0.026,585 0.017,586 0.017,587 0.011,588 0.008,589 0.415,590 0.33,591 1,592 0.777,593 104.655,594 0.027,595 -0.08,596 0.059,597 -0.011,598 -0.178,599 0.021,600 0.167,601 0.02,602 0.178,603 0.088,604 0.166,605 0.126,606 -0.104,607 -0.088,608 0.035,609 0.021,610 0.029,611 0.043,612 0.075,613 0.155,614 -0.014,615 0.049,616 0.045,617 0.013,618 -0.279,619 -0.062,620 -0.251,621 -0.125,622 -0.169,623 -0.173,624 -0.117,625 -0.229,626 -0.234,627 -0.281,628 -0.083,629 -0.276,630 -0.172,631 -0.039,632 -0.183,633 -0.1,634 -0.322,635 -0.135,636 0.314,637 0.084,638 0.3,639 0.163,640 0.335,641 0.217,642 1.219,643 2.104,644 0.826,645 15.981,646 1.001,647 1.13,648 3.218,649 10.356,650 0.688,651 3.296,652 3.664,653 4.007,654 4.344,655 4.625,656 4.745,657 4.868,658 5.024,659 5.106,660 5.106,661 4.96,662 0.661,663 304.39,664 3.296,665 4.86,666 5.746,667 6.658,668 7.567,669 8.486,670 9.403,671 10.325,672 11.245,673 12.17,674 15.4,678 1,682 1,684 4,689 4,690 7,691 4,695 3,696 1,697 21,708 1,716 39,718 21,719 1,720 26,722 42,723 17,724 14,725 3,726 3,728 4,729 6,732 2,738 1,740 14,741 3,756 1,757 1,760 16,761 5,762 2,763 6,769 6,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 23,828 1,837 1,858 11.5,859 7.75,860 4.944,861 2.369,863 4.316,864 1.577,865 1.034,866 3.154,867 11.795,868 3.624,869 4.341,870 5.068,871 5.772,872 6.396,873 6.819,874 7.316,875 7.841,876 8.264,877 8.596,878 1,879 40,880 8.437,881 3.62,882 7.63,883 16.169,884 13.433,885 2.13,886 49,890 164.795,891 99.973,892 101.693,897 99.973,898 164.795,899 101.693,900 17.65,902 80.278,903 92.277,904 32.675,905 2.328,906 141.253,908 164.795,909 201.667,913 94.169,914 70.627,917 43.709,918 90.938,919 67.02,921 164.795,922 101.693,923 99.973,926 164.795,927 17.276,928 84.474,930 99.917,931 164.795,932 101.693,933 99.973,935 0.591,936 0.357,937 0.206,938 0.119,939 21,940 9,941 0.048,942 2,943 2,944 1.211,945 3.435,946 199.866,947 0.211,948 19,949 102.042,954 13.951,955 5.2,956 2.202,957 3.568,958 99.917,959 13.297,960 17.593,964 2.233,965 1.885,966 32.897,967 366.462,968 36.5,980 39.029,981 44.066,983 0.277,984 0.701,985 0.849,986 0.905,987 0.905,988 0.905,989 4.862,990 1.368,991 5.753,992 4.088,993 4.344,994 5.027,996 6.632,997 4.27,998 6.113,999 1.058,1000 7.352,1001 2.999,1002 4.007,1003 4.956,1005 7.667,1006 3.908,1007 7.453,1008 0.827,1009 9.055,1010 2.733,1011 5.994,1012 7.398,1014 10.825,1015 5.855,1016 8.836,1017 0.632,1018 10.819,1019 2.06,1020 6.494,1021 8.195,1023 12.713,1024 6.328,1025 10.255,1026 -0.273,1027 12.622,1028 1.506,1029 7.967,1030 10.095,1032 15.399,1033 7.767,1034 11.699,1035 -0.415,1036 14.453,1037 -0.643,1038 8.846,1039 11.297,1041 17.635,1042 8.615,1043 13.165,1044 -0.618,1045 16.304,1046 -1.037,1047 10.125,1048 12.976,1050 20.172,1051 9.862,1052 3.339,1053 -0.811,1054 18.169,1055 -1.598,1056 11.175,1057 14.365,1059 22.553,1060 10.878,1061 2.913,1062 12.088,1063 20.047,1064 -2,1065 12.385,1066 15.954,1068 25.048,1069 12.055,1070 2.554,1071 9.372,1072 21.934,1073 4.737,1074 13.51,1075 17.426,1077 27.49,1078 13.145,1079 2.367,1080 8.561,1081 23.83,1082 4.324,1083 14.7,1084 18.982,1086 29.975,1087 14.301,1088 1.744,1089 7.453,1090 25.732,1091 3.298,1092 15.861,1093 20.49,1095 32.444,1096 15.425,1097 1.618,1098 4.819,1099 27.64,1100 3.179,1101 17.047,1102 22.034,1104 34.929,1105 16.577,1106 1.579,1107 4.487,1108 29.553,1109 2.427,1110 18.225,1111 23.56,1113 37.41,1114 17.718,1115 4990,1116 8065,1117 17.512,1118 26.841,1119 40.362,1120 39.93,1121 41.515,1122 40.014,1123 39.997,1124 56.095,1126 120.33,1127 38.481,1128 5.429,1129 5.376,1130 6.727,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.222,1137 10.072,1138 1.552,1139 1.536,1140 1.597,1141 1.539,1142 1.538,1143 2.157,1145 4.628,1146 1.48,1147 4.157,1148 4.198,1149 4.135,1150 4.052,1151 5.258,1152 4.064,1153 3.987,1154 4.027,1155 3.953,1156 3.857,1157 4.997,1158 3.88,1159 3.578,1160 3.656,1161 3.445,1162 3.418,1163 4.851,1164 3.407,1165 3.453,1166 3.502,1167 3.376,1168 3.341,1169 4.527,1170 3.343,1171 3.157,1172 3.245,1173 3.05,1174 2.951,1175 4.307,1176 2.97,1177 3.006,1178 3.107,1179 2.892,1180 2.807,1181 4.046,1182 2.817,1183 2.948,1184 3.022,1185 2.84,1186 2.679,1187 3.948,1188 2.716,1189 2.874,1190 3.009,1191 2.525,1192 2.618,1193 3.68,1194 2.57,1195 0.183,1196 0.13,1197 0.271,1198 0.166,1199 0.128,1200 4.762,1201 0.182,1202 3.376,1204 7.039,1205 0.465,1206 4.303,1207 0.124,1208 3.339,1209 4.737,1211 12.088,1212 3.222,1213 2.045,1214 2.023,1215 2.116,1216 2.123,1217 1.237,1218 2.123,1219 1.825,1220 1.781,1221 1.948,1222 2.02,1223 1.145,1224 1.993,1225 1.647,1226 1.584,1227 1.808,1228 1.846,1229 0.897,1230 1.843,1231 1.445,1232 1.396,1233 1.612,1234 1.592,1235 0.638,1236 1.603,1237 1.099,1238 1.037,1239 1.417,1240 1.365,1241 0.469,1242 1.345,1243 0.946,1244 0.875,1245 1.255,1246 1.239,1247 0.278,1248 1.308,1249 0.934,1250 0.804,1251 1.188,1252 1.207,1253 0.169,1254 1.207,1255 0.826,1256 0.747,1257 1.066,1258 1.115,1259 0.034,1260 1.111,1261 3.97,1263 5.323,1264 2.398,1265 6.884,1266 4.844,1267 8.542,1268 7.081,1269 10.249,1271 4.137,1275 6.104,1281 0.183,1289 25.762,1290 57.134,1291 144.463,1292 175.011,1293 186.621,1294 186.621,1295 186.621,1296 27.405,1297 7.478,1298 82.51,1299 82.51,1300 23,1301 12.676,1302 4.459,1303 3.524,1304 31.639,1305 67,1306 68,1307 0.235,1308 158.686,1309 251.86,1310 378.953,1311 16621,1313 15.974,1314 0.695,1315 0.562,1316 15.974,1317 12.932,1318 11.148,1319 0.429,1320 0.288,1321 7.393,1322 10.754,1323 7.163,1324 5.985,1325 11.148,1326 7.488,1327 10.335,1328 0.272,1329 0.151,1330 10.335,1331 5.755,1332 8.979,1333 0.166,1334 0.072,1335 8.979,1336 3.884,1337 7.939,1338 0.104,1339 0.037,1340 7.939,1341 2.78,1342 6.765,1343 0.067,1344 0.019,1345 6.765,1346 1.953,1347 0.352,1348 69.484,1349 0.239,1350 21.912,1351 0.697,1352 128,1353 339.538,1354 139.157,1355 339.997,1356 486.63,1357 320,1358 156,1359 385.758,1360 168.462,1361 392.135,1362 579,1363 370,1364 6.62}
{0 CHEMBL1234815,1 1.449,2 7.857,3 2.608,4 6.803,5 83.847,6 8.098,7 0.875,8 3.668,9 3.793,10 3.326,11 3.26,12 4.851,13 3.256,14 4.136,15 4.298,16 3.7,17 3.655,18 5.272,19 3.639,20 4.304,21 4.477,22 3.749,23 3.766,24 5.415,25 3.727,26 4.371,27 4.574,28 3.656,29 3.721,30 5.48,31 3.654,32 4.306,33 4.535,34 3.449,35 3.59,36 5.32,37 3.507,38 4.201,39 4.439,40 3.297,41 3.445,42 5.253,43 3.365,44 4.109,45 4.381,46 3.131,47 3.301,48 5.041,49 3.197,50 3.824,51 4.07,52 2.857,53 3.047,54 4.831,55 2.944,56 0.047,57 0.56,58 5.812,59 2.585,60 7.435,61 3.233,62 0.14,63 0.882,64 10.531,65 4.293,66 12.6,67 5.536,68 0.091,69 1.013,70 12.751,71 5.281,72 13.705,73 6.906,74 0.214,75 1.068,76 14.714,77 5.738,78 23.056,79 7.654,80 0.131,81 0.953,82 14.918,83 5.407,84 18.499,85 7.351,86 0.161,87 0.863,88 13.697,89 4.509,90 25.274,91 6.078,92 0.12,93 0.739,94 13.907,95 4.882,96 18.468,97 6.96,98 0.084,99 0.57,100 9.592,101 3.41,102 13.441,103 4.719,104 5,105 35,106 0.26,107 0.612,108 0.728,109 0.821,110 0.846,111 0.867,112 3.105,113 0.833,114 -4.98,115 -4.88,116 -4.57,118 47.1,123 1,138 7,139 4,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 11,170 2,171 5,172 1,173 1,175 1,178 15,180 1,181 1,182 3,188 14,191 2,192 6,194 3,195 3,197 1,199 8,201 1,204 8,208 2,211 4,213 2,215 8,220 2,223 2,225 2,228 7,233 2,235 1,237 2,240 5,245 2,249 2,252 2,257 1,262 1,264 503,265 14.43,266 14.43,267 14.43,268 14.43,269 14.43,270 11.98,271 6.325,272 8.372,273 14.667,274 11.854,275 11.854,276 11.854,277 11.854,278 11.854,279 8.209,280 5,281 3.958,282 12.242,283 3.639,284 1.681,285 1.034,286 0.515,287 0.375,288 0.257,289 3.805,292 1,293 1,294 1,295 369,296 2,299 35.554,300 133.551,303 68.728,304 74.373,307 1.129,308 12.824,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 44.5,320 165,321 4.741,322 3.329,323 6.987,324 4.273,325 3.305,326 4.723,328 11.875,329 3.201,330 4.392,331 2.907,332 6.213,333 3.897,334 2.903,335 4.323,337 9.294,338 2.883,339 3.79,340 2.414,341 5.873,342 3.374,343 2.4,344 3.274,346 7.985,347 2.336,348 3.648,349 2.371,350 5.501,351 3.194,352 2.26,353 3.086,355 6.773,356 2.107,357 3.118,358 1.618,359 4.532,360 2.618,361 1.618,362 2.427,364 4.491,365 1.618,366 3.079,367 1.58,368 4.367,369 2.54,370 1.579,371 2.368,373 4.105,374 1.518,375 2.865,376 1.426,377 4.327,378 2.351,379 1.378,380 2.042,382 3.66,383 1.337,384 2.712,385 1.352,386 3.66,387 2.243,388 1.296,389 1.799,391 2.992,392 1.223,393 2.462,394 1.032,395 3.583,396 1.953,397 1.01,398 1.445,400 2.472,401 0.95,402 2.137,403 0.646,404 3.163,405 1.636,406 0.643,407 0.958,409 1.519,410 0.638,411 1.102,412 -0.078,413 2.682,414 0.686,415 -0.235,416 -0.296,417 -0.556,418 -0.216,419 1.046,420 -0.373,421 2.441,422 0.586,423 -0.396,424 -0.549,425 -0.993,426 -0.39,427 0.882,428 -0.509,429 2.278,430 0.382,431 -0.618,432 -0.817,433 -1.514,434 -0.573,435 0.751,436 -0.618,437 2.242,438 0.288,439 -0.628,440 -0.927,441 -1.598,442 -0.618,443 0.447,444 -0.923,445 2,446 0.031,447 -0.952,448 -1.32,449 -2.658,450 -0.934,451 10,452 0.476,453 0.521,454 0.025,455 32.5,456 1.548,457 18.5,458 0.881,459 14,460 0.667,461 12.289,462 0.585,463 20.6,464 0.606,465 21.417,466 1.02,467 6.456,468 0.307,469 3.781,470 0.18,471 0.09,473 0.39,478 0.875,479 1.091,480 0.707,481 0.873,482 1.101,483 0.787,484 0.836,485 0.858,486 0.722,487 0.759,488 0.648,489 0.731,490 0.917,491 1.147,492 0.89,493 1.036,494 0.853,495 0.975,496 0.814,497 0.986,498 1.065,499 1.12,500 0.911,501 1.126,502 1.159,503 1.109,504 1.106,505 1.086,506 0.874,507 1.088,508 1.477,509 1.032,510 1.228,511 1.006,512 1.654,513 1.067,514 0.918,515 0.946,516 0.875,517 0.901,518 0.878,519 0.885,520 1.128,521 1.119,522 1.142,523 1.134,524 1.003,525 1.139,526 3.5,528 2.667,529 1.792,530 1.539,531 0.521,532 0.364,533 0.318,534 0.089,535 0.054,536 4269,537 10926,538 2.185,539 38.2,541 10,543 1,544 2,549 1.635,550 2.066,551 2.97,552 0.331,554 1,556 1,558 49.258,559 1.449,560 3.406,561 4.053,562 4.572,563 4.712,564 4.83,565 2.398,566 4.011,567 4.368,568 3.065,569 643.721,570 7.499,571 6531.4,572 1,573 1,574 1,575 1,576 172.974,577 1.342,578 4.334,579 0.146,581 0.076,582 0.05,583 0.05,584 0.021,585 0.017,586 0.018,587 0.007,588 0.009,589 0.393,590 0.5,591 1,592 0.532,593 92.426,594 0.03,595 0.003,596 0.052,597 0.031,598 -0.215,599 0.042,600 0.138,601 0.211,602 0.112,603 0.162,604 0.113,605 0.139,606 -0.024,607 -0.126,608 -0.034,609 -0.094,610 -0.013,611 -0.071,612 0.202,613 0.026,614 -0.144,615 -0.182,616 0.076,617 -0.206,618 -0.17,619 -0.143,620 -0.128,621 -0.12,622 0.016,623 -0.118,624 -0.327,625 -0.032,626 -0.231,627 -0.07,628 -0.382,629 -0.123,630 0.01,631 -0.058,632 0.205,633 0.124,634 0.093,635 0.179,636 -0.14,637 -0.183,638 -0.122,639 -0.152,640 0.022,641 -0.138,642 1.212,643 2.016,644 0.905,645 13.283,646 1.001,647 1.122,648 3.747,649 14.039,650 0.708,651 3.219,652 3.584,653 3.932,654 4.263,655 4.522,656 4.575,657 4.718,658 4.883,659 4.963,660 4.905,661 4.713,662 0.683,663 275.34,664 3.219,665 4.779,666 5.666,667 6.575,668 7.48,669 8.394,670 9.306,671 10.222,672 11.136,673 12.053,674 14.7,678 1,682 1,684 3,689 4,690 8,691 3,695 3,696 1,697 21,708 1,716 34,718 21,719 2,720 24,722 37,723 16,724 15,725 3,726 7,728 4,729 6,740 15,741 1,756 1,757 1,760 13,761 4,762 2,763 5,769 5,775 0.5,785 1,788 1,793 1,794 3,797 1,798 1,819 2,823 1,827 21,828 1,858 10.167,859 6.55,860 4.5,861 1.914,863 4.342,864 1.593,865 1.075,866 2.577,867 11.659,868 3.57,869 4.301,870 5.03,871 5.729,872 6.342,873 6.731,874 7.239,875 7.767,876 8.188,877 8.486,878 1,879 36,880 7.688,881 3.316,882 7.627,883 14.725,884 12.288,885 2.127,886 44.667,887 0.001,890 129.482,891 101.053,892 84.908,897 101.053,898 129.482,899 84.908,900 8.396,902 99.231,903 63.72,904 24.056,905 2.328,906 117.711,908 129.482,909 185.961,913 129.482,917 14.867,918 120.86,919 50.234,921 129.482,922 84.908,923 101.053,926 129.482,927 17.704,928 85.125,930 83.131,931 129.482,932 84.908,933 101.053,935 0.59,936 0.362,937 0.209,938 0.117,939 20,940 8,941 0.027,942 1,943 2,944 1.211,945 3.317,946 175.968,947 0.211,948 19,949 92.239,954 12.155,955 4.453,956 1.834,957 3.913,958 83.131,959 15.954,960 12.904,964 2.286,965 1.734,966 32.897,967 315.443,968 34.5,980 34.043,981 38.152,983 0.285,984 0.67,985 0.797,986 0.899,987 0.926,988 0.949,989 4.798,990 1.296,991 5.666,992 3.66,993 4.263,994 4.987,996 6.538,997 4.203,998 6.054,999 1.01,1000 7.259,1001 2.992,1002 3.892,1003 4.913,1005 7.548,1006 3.806,1007 7.396,1008 0.643,1009 8.955,1010 2.472,1011 5.905,1012 7.372,1014 10.708,1015 5.797,1016 8.781,1017 -0.235,1018 10.713,1019 1.519,1020 6.382,1021 8.166,1023 12.582,1024 6.247,1025 10.2,1026 -0.396,1027 12.511,1028 -0.556,1029 7.869,1030 10.072,1032 15.261,1033 7.713,1034 11.645,1035 -0.618,1036 14.336,1037 -0.993,1038 8.735,1039 11.273,1041 17.485,1042 8.55,1043 13.11,1044 -0.628,1045 16.182,1046 -1.514,1047 10.019,1048 12.953,1050 20.013,1051 9.812,1052 3.305,1053 -0.952,1054 18.043,1055 -1.598,1056 11.06,1057 14.34,1059 22.381,1060 10.821,1061 2.903,1062 11.875,1063 19.917,1064 -2.658,1065 12.269,1066 15.929,1068 24.862,1069 12.005,1070 2.4,1071 9.294,1072 21.8,1073 4.723,1074 13.387,1075 17.399,1077 27.289,1078 13.09,1079 2.26,1080 7.985,1081 23.692,1082 4.323,1083 14.572,1084 18.953,1086 29.759,1087 14.246,1088 1.618,1089 6.773,1090 25.59,1091 3.274,1092 15.724,1093 20.459,1095 32.211,1096 15.366,1097 1.579,1098 4.491,1099 27.495,1100 3.086,1101 16.904,1102 22.001,1104 34.679,1105 16.514,1106 1.378,1107 4.105,1108 29.404,1109 2.427,1110 18.073,1111 23.524,1113 37.143,1114 17.649,1115 4006,1116 6525,1117 16.414,1118 24.074,1119 37.137,1120 36.685,1121 38.075,1122 36.823,1123 36.784,1124 52.893,1126 110.336,1127 35.624,1128 5.402,1129 5.329,1130 6.674,1131 5.345,1132 5.305,1133 7.723,1135 19.209,1136 5.201,1137 7.616,1138 1.547,1139 1.529,1140 1.586,1141 1.534,1142 1.533,1143 2.204,1145 4.597,1146 1.484,1147 4.155,1148 4.193,1149 4.131,1150 4.078,1151 5.259,1152 4.082,1153 3.996,1154 4.032,1155 3.959,1156 3.869,1157 4.925,1158 3.892,1159 3.468,1160 3.522,1161 3.393,1162 3.378,1163 4.829,1164 3.374,1165 3.374,1166 3.464,1167 3.272,1168 3.089,1169 4.515,1170 3.121,1171 3.07,1172 3.129,1173 2.961,1174 2.971,1175 4.264,1176 2.96,1177 2.976,1178 3.074,1179 2.864,1180 2.798,1181 3.865,1182 2.803,1183 2.888,1184 2.991,1185 2.671,1186 2.581,1187 3.723,1188 2.597,1189 2.609,1190 2.674,1191 2.465,1192 2.488,1193 3.602,1194 2.475,1195 0.198,1196 0.139,1197 0.291,1198 0.178,1199 0.138,1200 4.741,1201 0.197,1202 3.329,1204 6.987,1205 0.495,1206 4.273,1207 0.133,1208 3.305,1209 4.723,1211 11.875,1212 3.201,1213 2.08,1214 2.062,1215 2.159,1216 2.131,1217 1.296,1218 2.141,1219 1.814,1220 1.776,1221 1.87,1222 2,1223 0.97,1224 1.965,1225 1.545,1226 1.493,1227 1.706,1228 1.761,1229 0.762,1230 1.741,1231 1.345,1232 1.265,1233 1.581,1234 1.55,1235 0.601,1236 1.567,1237 1.079,1238 1.029,1239 1.296,1240 1.247,1241 0.363,1242 1.254,1243 0.933,1244 0.87,1245 1.18,1246 1.22,1247 0.144,1248 1.235,1249 0.804,1250 0.688,1251 1.068,1252 1.082,1253 0.01,1254 1.088,1255 0.622,1256 0.554,1257 0.942,1258 0.877,1260 0.88,1261 3.892,1263 5.242,1264 2.398,1265 6.804,1266 4.844,1267 8.461,1268 7.05,1269 10.166,1271 1.86,1275 6.016,1289 23.214,1290 49.258,1291 115.812,1292 137.812,1293 155.464,1294 160.219,1295 164.219,1296 21.809,1297 7.317,1298 69.62,1299 69.62,1300 23,1301 12.564,1302 4.459,1303 3.524,1304 27.899,1305 59,1306 56,1307 0.238,1308 142.299,1309 223.56,1310 338.97,1311 13881,1313 14.397,1314 0.686,1315 0.547,1316 14.397,1317 11.485,1318 10.237,1319 0.427,1320 0.278,1321 6.577,1322 9.904,1323 6.401,1324 5.327,1325 10.237,1326 6.662,1327 9.404,1328 0.269,1329 0.143,1330 9.404,1331 4.992,1332 8.403,1333 0.168,1334 0.073,1335 8.403,1336 3.673,1337 7.452,1338 0.106,1339 0.038,1340 7.452,1341 2.648,1342 6.339,1343 0.07,1344 0.02,1345 6.339,1346 1.844,1347 0.357,1348 63.688,1349 0.247,1350 20.264,1351 0.704,1352 118,1353 309.893,1354 126.77,1355 312.385,1356 447.05,1357 294,1358 144,1359 352.589,1360 153.964,1361 361.236,1362 531.24,1363 340,1364 5.367}
{0 CHEMBL1236107,1 1.623,2 10.731,3 3.403,4 11.578,5 103.098,6 9.217,7 0.867,8 3.829,9 3.94,10 3.642,11 3.455,12 5.026,13 3.437,14 4.294,15 4.44,16 4.046,17 3.831,18 5.445,19 3.809,20 4.428,21 4.597,22 4.039,23 3.91,24 5.552,25 3.836,26 4.391,27 4.585,28 3.875,29 3.811,30 5.447,31 3.719,32 4.291,33 4.491,34 3.827,35 3.7,36 5.335,37 3.618,38 4.228,39 4.422,40 3.757,41 3.628,42 5.318,43 3.567,44 4.165,45 4.358,46 3.696,47 3.532,48 5.303,49 3.485,50 4.023,51 4.213,52 3.466,53 3.445,54 5.121,55 3.387,56 0.097,57 0.691,58 5.169,59 3.012,60 6.507,61 3.276,62 0.186,63 1.1,64 11.121,65 4.777,66 10.517,67 5.044,68 0.242,69 1.226,70 16.502,71 6.462,72 20.241,73 6.669,74 0.225,75 1.132,76 15.46,77 6.453,78 19.77,79 7.127,80 0.239,81 1.046,82 16.434,83 5.982,84 16.004,85 6.385,86 0.197,87 0.988,88 14.325,89 5.214,90 17.168,91 5.218,92 0.321,93 0.968,94 14.677,95 4.658,96 19.123,97 4.673,98 0.143,99 0.762,100 8.904,101 4.082,102 13.225,103 4.966,104 2,105 43,106 0.28,107 0.629,108 0.794,109 0.889,110 0.889,111 0.889,112 3.305,113 0.882,114 -4.86,115 -4.77,116 -4.48,118 46.2,123 1,138 7,139 2,140 1,141 2,142 2,147 1,156 1,157 1,161 3,167 5,170 2,171 11,178 7,181 2,182 10,188 7,191 2,192 7,199 4,203 2,204 13,211 4,215 6,223 2,227 6,228 6,235 6,239 2,240 2,247 5,252 5,260 3,264 988,265 18.049,266 18.049,267 18.049,268 18.049,269 18.049,270 15.07,271 6.656,272 10.553,273 18.546,274 14.857,275 14.857,276 14.857,277 14.857,278 14.857,279 10.401,280 4.873,281 5.066,282 15.729,283 3.662,284 1.631,285 0.677,286 0.122,287 0.122,288 0.122,289 4.022,292 1,293 1,294 1,295 634,296 2.345,299 115.387,300 187.508,303 94.739,304 107.005,307 1.675,308 13.861,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 55.5,320 279,321 4.578,322 4.573,323 6.574,324 4.062,325 3.134,326 4.523,327 2.95,328 10.474,329 2.934,330 4.403,331 3.285,332 6.185,333 3.897,334 2.922,335 4.334,337 9.236,338 2.85,339 4.205,340 2.928,341 6.129,342 3.768,343 2.813,344 3.852,346 9.027,347 2.664,348 3.695,349 2.788,350 5.386,351 3.234,352 2.328,353 3.121,355 6.992,356 2.1,357 3.56,358 2.518,359 5.053,360 3.113,361 2.17,362 2.971,364 6.072,365 2.027,366 3.271,367 2.209,368 4.952,369 2.752,370 1.824,371 2.61,373 5.519,374 1.682,375 3.118,376 1.618,377 4.413,378 2.603,379 1.618,380 2.427,382 4.36,383 1.592,384 2.894,385 1.471,386 4.245,387 2.372,388 1.406,389 2.084,391 3.804,392 1.355,393 2.821,394 1.414,395 4.017,396 2.329,397 1.365,398 1.962,400 3.15,401 1.312,402 2.613,403 1.31,404 3.616,405 2.107,406 1.15,407 1.664,409 2.982,410 1.093,411 2.223,412 0.964,413 3.286,414 1.707,415 0.761,416 1.098,417 1.789,418 0.714,419 2.183,420 0.833,421 3.261,422 1.646,423 0.694,424 1.029,425 1.65,426 0.659,427 2.088,428 0.684,429 3.17,430 1.561,431 0.612,432 0.897,433 1.499,434 0.577,435 1.317,436 0.467,437 2.88,438 0.859,439 -0.029,440 -0.038,441 -0.079,442 -0.025,443 0.929,444 0.121,445 2.543,446 0.474,447 -0.485,448 -0.649,449 -1.219,450 -0.456,451 12.633,452 0.486,453 0.585,454 0.022,455 40,456 1.538,457 22.5,458 0.865,459 17.5,460 0.673,461 16.575,462 0.637,463 25.167,464 0.645,465 26.762,466 1.029,467 7.858,468 0.302,469 4.901,470 0.189,471 0.04,473 0.34,478 0.615,479 1.039,480 0.629,481 0.838,482 0.702,483 0.783,484 0.988,485 1.141,486 0.745,487 0.881,488 0.818,489 0.768,490 1.042,491 1.082,492 1.18,493 1.142,494 1.017,495 1.009,496 1,497 1.017,498 1.064,499 1.032,500 1.052,501 1.045,502 1.069,503 1.017,504 1.152,505 1.053,506 0.899,507 0.919,508 1.42,509 1.177,510 1.184,511 1.028,512 1.244,513 0.92,514 1.116,515 0.875,516 1.305,517 1.113,518 1.117,519 0.948,520 0.776,521 0.967,522 0.732,523 0.886,524 0.759,525 1.003,526 5,527 0.094,528 2.889,529 1.389,530 1.254,531 0.688,532 0.414,533 0.367,534 0.172,535 0.136,536 8952,537 24672,538 2.241,539 33.3,541 10,542 1,543 2,549 1.689,550 2.167,551 3.413,552 -0.684,554 1,558 63.315,559 1.623,560 3.654,561 4.608,562 5.163,563 5.163,564 5.163,565 2.902,566 4.393,567 4.673,568 3.537,569 1149.49,570 8.088,571 14195.1,572 1,573 1,575 1,576 206.131,577 1.142,578 4.66,579 0.167,580 0.006,581 0.067,582 0.035,583 0.037,584 0.021,585 0.013,586 0.013,587 0.007,588 0.007,589 0.373,590 0.33,591 0.88,592 0.362,593 127.048,594 0.244,595 0.012,596 0.08,597 -0.004,598 0.019,599 -0.014,600 0.005,601 -0.084,602 0.117,603 0.023,604 0.016,605 0.058,606 -0.074,607 -0.048,608 -0.074,609 -0.076,610 -0.036,611 -0.083,612 -0.051,613 -0.037,614 -0.027,615 -0.01,616 -0.09,617 -0.067,618 -0.032,619 -0.003,620 0.028,621 0.046,622 0.026,623 0.072,624 -0.303,625 -0.134,626 -0.084,627 0.003,628 -0.159,629 0.012,630 0.134,631 0.223,632 -0.18,633 -0.089,634 0.012,635 -0.055,636 0.092,637 -0.033,638 0.022,639 -0.036,640 0.198,641 -0.055,642 0.956,643 1.682,644 0.923,645 22.385,646 1.011,647 1.119,648 3.63,649 13.178,650 0.743,651 3.434,652 3.784,653 4.094,654 4.394,655 4.615,656 4.71,657 4.89,658 5.081,659 5.198,660 5.252,661 6.261,662 0.716,663 359.45,664 3.434,665 4.99,666 5.861,667 6.751,668 7.635,669 8.528,670 9.416,671 10.311,672 11.202,673 12.097,674 17.9,682 2,684 5,689 3,690 10,691 5,695 4,696 1,697 26,716 39,718 26,719 1,720 30,722 43,723 18,724 17,725 3,726 3,728 5,729 7,740 17,741 1,756 1,757 1,760 13,761 5,763 8,764 1,769 7,775 0.6,785 1,786 1,787 1,793 2,794 3,797 1,798 1,819 3,820 1,821 1,823 1,827 26,836 1,847 1,858 12,859 7.65,860 5.528,861 2.223,863 5.042,864 1.628,865 1.066,866 3.61,867 13.074,868 3.784,869 4.489,870 5.169,871 5.831,872 6.377,873 6.764,874 7.269,875 7.785,876 8.185,877 8.5,878 1,879 40,880 9.512,881 4.091,882 7.596,883 18.24,884 15.124,885 2.096,886 54.5,890 153.024,891 148.71,892 86.378,896 32.22,897 116.491,898 153.024,899 86.378,900 8.396,902 75.381,903 108.695,904 33.939,905 11.771,906 149.931,908 153.024,909 202.869,911 32.22,913 153.024,917 28.345,918 91.087,919 83.438,920 32.22,921 153.024,922 86.378,923 148.71,926 153.024,927 46.838,928 104.813,930 83.438,931 153.024,932 86.378,933 148.71,935 0.588,936 0.346,937 0.192,938 0.103,939 24,940 9,941 0.07,942 3,943 2,944 1.167,945 3.943,946 230.999,947 0.167,948 24,949 122.211,950 1,954 15.354,955 6.114,956 2.841,957 2.776,958 83.438,959 19.487,960 21.742,964 3.563,965 1.756,967 388.113,968 43,980 39.44,981 43.654,983 0.307,984 0.691,985 0.872,986 0.977,987 0.977,988 0.977,989 5.007,990 1.406,991 5.844,992 4.36,993 4.466,994 5.176,995 2.913,996 6.661,997 4.357,998 6.246,999 1.365,1000 7.399,1001 3.804,1002 4.007,1003 5.007,1005 7.526,1006 3.828,1007 7.569,1008 1.15,1009 9.051,1010 3.15,1011 6.066,1012 7.503,1013 5.027,1014 10.631,1015 5.852,1016 8.931,1017 0.761,1018 10.76,1019 2.982,1020 6.447,1021 8.204,1023 12.335,1024 6.163,1025 10.325,1026 0.694,1027 12.506,1028 1.789,1029 7.946,1030 10.116,1031 7.185,1032 14.928,1033 7.63,1034 11.741,1035 0.612,1036 14.278,1037 1.65,1038 8.715,1039 11.23,1041 16.978,1042 8.334,1043 13.175,1044 -0.029,1045 16.068,1046 1.499,1047 9.983,1048 12.897,1049 9.348,1050 19.391,1051 9.567,1052 3.134,1053 -0.485,1054 17.872,1055 -0.079,1056 10.935,1057 14.21,1059 21.589,1060 10.457,1061 2.922,1062 10.474,1063 19.686,1064 -1.219,1065 12.108,1066 15.772,1067 11.511,1068 23.938,1069 11.588,1070 2.813,1071 9.236,1072 21.509,1073 4.523,1074 13.145,1075 17.177,1077 26.203,1078 12.565,1079 2.328,1080 9.027,1081 23.339,1082 4.334,1083 14.28,1084 18.695,1085 13.675,1086 28.531,1087 13.652,1088 2.17,1089 6.992,1090 25.174,1091 3.852,1092 15.358,1093 20.145,1095 30.827,1096 14.671,1097 1.824,1098 6.072,1099 27.013,1100 3.121,1101 16.479,1102 21.646,1103 15.838,1104 33.151,1105 15.74,1106 1.618,1107 5.519,1108 28.856,1109 2.971,1110 17.577,1111 23.117,1113 35.464,1114 16.779,1115 8108,1116 13651,1117 20.978,1118 28.972,1119 46.04,1120 48.245,1121 46.067,1122 45.693,1123 45.596,1124 65.145,1125 5.9,1126 133.108,1127 43.118,1128 5.351,1129 6.573,1130 6.262,1131 5.224,1132 5.134,1133 7.523,1134 5.9,1135 17.234,1136 4.934,1137 6.8,1138 1.535,1139 1.608,1140 1.536,1141 1.523,1142 1.52,1143 2.172,1144 0.197,1145 4.437,1146 1.437,1147 4.118,1148 4.169,1149 4.196,1150 4.02,1151 5.211,1152 4.015,1153 4.029,1154 4.063,1155 4,1156 3.894,1157 4.988,1158 3.92,1159 3.863,1160 3.934,1161 3.851,1162 3.65,1163 4.941,1164 3.678,1165 3.454,1166 3.49,1167 3.584,1168 3.402,1169 4.449,1170 3.371,1171 3.268,1172 3.333,1173 3.218,1174 3.119,1175 4.346,1176 3.113,1177 3.032,1178 3.114,1179 3.007,1180 2.894,1181 3.96,1182 2.876,1183 2.979,1184 3.043,1185 2.85,1186 2.822,1187 3.908,1188 2.812,1189 2.742,1190 2.825,1191 2.736,1192 2.633,1193 3.743,1194 2.6,1195 0.153,1196 0.152,1197 0.219,1198 0.135,1199 0.104,1200 4.578,1201 0.151,1202 4.573,1203 0.098,1204 6.574,1205 0.349,1206 4.062,1207 0.098,1208 3.134,1209 4.523,1210 2.95,1211 10.474,1212 2.934,1213 2.027,1214 2.006,1215 2.094,1216 2.104,1217 1.213,1218 2.107,1219 1.863,1220 1.823,1221 1.926,1222 2.038,1223 1.02,1224 2.006,1225 1.502,1226 1.446,1227 1.724,1228 1.802,1229 0.777,1230 1.778,1231 1.461,1232 1.412,1233 1.599,1234 1.568,1235 0.671,1236 1.593,1237 1.347,1238 1.286,1239 1.482,1240 1.508,1241 0.568,1242 1.502,1243 1.169,1244 1.121,1245 1.196,1246 1.422,1247 0.305,1248 1.375,1249 0.962,1250 0.904,1251 1.125,1252 1.141,1253 0.204,1254 1.158,1255 0.772,1256 0.695,1257 1.076,1258 1.06,1259 0.049,1260 1.081,1261 4.111,1263 5.451,1264 3.045,1265 6.98,1266 5.352,1267 8.594,1268 7.391,1269 10.254,1271 1.886,1280 1.526,1289 27.917,1290 63.315,1291 142.505,1292 179.724,1293 201.376,1294 201.376,1295 201.376,1296 26.188,1297 8.031,1298 73.79,1299 99.09,1300 28,1301 12.623,1302 4.755,1303 3.807,1304 33.97,1305 97,1306 93,1307 0.169,1308 172.955,1309 270.13,1310 413.771,1311 36896,1313 17.51,1314 0.673,1315 0.563,1316 17.863,1317 14.629,1318 12.759,1319 0.425,1320 0.294,1321 7.949,1322 11.793,1323 7.697,1324 6.39,1325 13.167,1326 8.82,1327 11.732,1328 0.273,1329 0.16,1330 12.401,1331 6.874,1332 10.289,1333 0.174,1334 0.084,1335 11.046,1336 4.945,1337 8.893,1338 0.111,1339 0.045,1340 9.73,1341 3.598,1342 7.233,1343 0.072,1344 0.025,1345 8.181,1346 2.526,1347 0.266,1348 84.097,1349 0.218,1350 25.09,1351 0.465,1352 146,1353 422.376,1354 186.279,1355 439.426,1356 624.83,1357 414,1358 175,1359 478.65,1360 213.339,1361 498.75,1362 729.05,1363 469,1364 5}
{0 CHEMBL1236772,1 1.785,2 10.556,3 3.381,4 11.434,5 103.724,6 8.848,7 0.733,8 3.902,9 4.008,10 3.758,11 3.499,12 5.064,13 3.473,14 4.384,15 4.516,16 4.022,17 3.854,18 5.768,19 3.827,20 4.591,21 4.765,22 3.977,23 3.913,24 5.818,25 3.867,26 4.59,27 4.791,28 3.913,29 3.841,30 5.776,31 3.782,32 4.544,33 4.772,34 3.78,35 3.763,36 5.711,37 3.702,38 4.425,39 4.63,40 3.781,41 3.701,42 5.578,43 3.65,44 4.379,45 4.595,46 3.739,47 3.629,48 5.641,49 3.569,50 4.269,51 4.493,52 3.59,53 3.507,54 5.426,55 3.438,56 0.138,57 0.732,58 8.752,59 3.885,60 15.888,61 3.922,62 0.331,63 1.123,64 15.339,65 6.463,66 46.506,67 6.99,68 0.411,69 1.276,70 19.844,71 7.36,72 50.936,73 7.977,74 0.436,75 1.261,76 20.367,77 7.427,78 45.055,79 8.881,80 0.491,81 1.175,82 21.911,83 6.903,84 48.933,85 8.417,86 0.368,87 1.072,88 17.3,89 6.041,90 43.973,91 7.541,92 0.422,93 1.022,94 16.104,95 5.657,96 45.258,97 7.241,98 0.351,99 0.918,100 16.309,101 5.313,102 30.189,103 6.444,104 11,105 43,106 0.303,107 0.619,108 0.769,109 0.88,110 0.896,111 0.896,112 3.34,113 0.997,114 -3.9,115 -3.86,116 -3.66,118 41.9,123 1,138 8,139 1,140 3,141 2,143 1,146 1,148 1,163 1,167 4,170 2,171 3,173 3,175 7,178 6,182 5,186 3,188 2,192 10,195 2,196 2,197 4,199 2,204 5,206 2,211 1,214 1,215 6,218 1,220 5,223 3,227 4,228 1,233 2,235 1,239 1,240 1,243 2,244 1,245 2,247 5,252 2,255 2,260 4,264 1072,265 18.074,266 18.074,267 18.074,268 18.074,269 18.074,270 15.168,271 22.126,272 10.606,273 18.629,274 14.872,275 14.872,276 14.872,277 14.872,278 14.872,279 10.507,280 40.905,281 5.068,282 15.826,283 3.641,284 1.784,285 0.901,286 0.25,287 0.157,288 0.157,289 4.037,292 1,293 1,294 1,295 623,296 3.391,299 58.716,300 247.181,303 109.572,307 1.753,308 29.551,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 59,320 285,321 4.805,322 5.18,323 7.116,324 4.187,325 3.32,326 4.665,327 2.95,328 11.69,329 2.99,330 4.517,331 3.123,332 6.521,333 4.038,334 3.061,335 4.46,336 0.4,337 10.261,338 2.858,339 4.107,340 2.9,341 5.7,342 3.659,343 2.734,344 3.704,345 0.4,346 8.054,347 2.523,348 3.848,349 2.689,350 5.419,351 3.396,352 2.44,353 3.395,355 7.174,356 2.32,357 3.515,358 2.459,359 5.15,360 3.064,361 2.118,362 2.894,364 6.24,365 1.999,366 3.244,367 2.138,368 4.825,369 2.781,370 1.826,371 2.521,373 5.363,374 1.737,375 3.048,376 1.859,377 4.459,378 2.535,379 1.548,380 2.321,382 4.305,383 1.528,384 2.973,385 1.548,386 4.101,387 2.467,388 1.503,389 2.152,391 3.656,392 1.441,393 2.666,394 1.307,395 3.511,396 2.135,397 1.191,398 1.742,400 2.645,401 1.122,402 2.609,403 1.196,404 3.481,405 2.098,406 1.11,407 1.652,409 2.528,410 1.093,411 2.5,412 1,413 3.412,414 1.97,415 1,416 1.5,417 2.234,418 0.968,419 2.09,420 0.723,421 3.251,422 1.614,423 0.657,424 0.921,425 1.679,426 0.627,427 1.312,428 0.663,429 2.916,430 0.94,435 1.275,436 0.154,437 2.756,438 0.9,439 -0.044,440 -0.057,441 -0.115,442 -0.041,443 1,444 0.063,445 2.704,446 0.355,447 -0.601,448 -0.819,449 -1.448,450 -0.57,451 12.9,452 0.478,453 0.771,454 0.029,455 42,456 1.556,457 24,458 0.889,459 18,460 0.667,461 16.911,462 0.626,463 27.9,464 0.649,465 30.458,466 1.128,467 8.186,468 0.303,469 4.801,470 0.178,471 0.09,472 0.065,473 0.271,478 0.639,479 1.199,480 0.8,481 1.089,482 0.689,483 0.826,484 0.691,485 1.128,486 1.012,487 1.141,488 0.58,489 0.961,490 1.335,491 1.182,492 1.102,493 1.028,494 1.234,495 1.048,496 1.003,497 1.089,498 0.943,499 1.032,500 0.985,501 1.084,502 1.026,503 0.914,504 0.984,505 0.824,506 0.817,507 0.884,508 0.966,509 1.057,510 0.796,511 0.894,512 0.965,513 0.951,514 0.695,515 1.071,516 0.787,517 0.842,518 0.509,519 0.95,520 0.909,521 0.79,522 0.985,523 0.915,524 0.748,525 0.946,526 6.5,527 0.123,528 2.667,529 1.813,530 1.156,531 0.635,532 0.494,533 0.325,534 0.246,535 0.151,536 9477,537 29995,538 2.11,539 37.2,541 11,543 2,544 3,549 1.698,550 1.988,551 3.39,552 1.018,553 1,554 1,558 76.761,559 1.785,560 3.642,561 4.525,562 5.176,563 5.269,564 5.269,565 2.732,566 4.431,567 4.732,568 3.599,569 1263.38,570 8.197,571 16565.6,573 1,575 1,576 233.329,577 1.481,578 4.685,579 0.217,580 0.006,581 0.062,582 0.045,583 0.032,584 0.019,585 0.015,586 0.011,587 0.01,588 0.007,589 0.425,590 0.33,591 1,592 0.704,593 134.799,594 0.043,595 -0.029,596 0.179,597 -0.007,598 -0.174,599 0.052,600 0.182,601 -0.032,602 -0.077,603 -0.126,604 0.254,605 -0.068,606 -0.296,607 -0.166,608 -0.204,609 -0.093,610 -0.177,611 -0.135,612 -0.044,613 -0.107,614 -0.06,615 -0.128,616 -0.08,617 -0.136,618 -0.089,619 0.073,620 -0.051,621 0.082,622 -0.012,623 0.084,624 -0.062,625 -0.086,626 0.052,627 -0.008,628 -0.123,629 0.009,630 0.179,631 -0.068,632 0.079,633 0.027,634 0.187,635 -0.004,636 0.001,637 0.224,638 -0.002,639 0.026,640 -0.001,641 0.019,642 4.2,643 4.703,644 0.778,645 23.3,646 1.018,647 1.126,648 2.673,649 7.143,650 0.707,651 3.434,652 3.784,653 4.007,654 4.263,655 4.443,656 4.466,657 4.595,658 4.682,659 4.718,660 4.812,661 6.676,662 0.683,663 380.47,664 3.434,665 4.99,666 5.832,667 6.718,668 7.574,669 8.459,670 9.32,671 10.203,672 11.067,673 11.948,674 14,682 3,684 3,689 2,690 10,691 3,692 1,695 5,697 22,709 2,716 43,718 24,719 2,720 30,722 46,723 18,724 17,725 5,726 7,728 4,729 5,740 17,741 1,744 2,747 1,749 2,756 1,757 1,760 16,761 7,762 3,763 9,764 1,769 6,775 0.75,776 2,785 1,788 1,793 1,794 3,797 1,819 3,821 1,823 1,827 27,830 1,834 2,850 4.7,853 2,858 13.583,859 7.933,860 5.722,861 2.257,863 4.434,864 1.583,865 1.044,866 4.52,867 12.037,868 3.784,869 4.469,870 5.015,871 5.612,872 6.111,873 6.341,874 6.756,875 7.126,876 7.35,877 7.748,878 0.857,879 40,880 10.071,881 4.5,882 7.91,883 18.63,884 15.392,885 2.41,886 65.083,889 1,890 153.024,891 123.149,892 102.919,894 44.313,896 6.046,897 117.104,898 197.337,899 102.919,900 7.19,902 81.856,903 118.089,904 80.417,905 6.371,906 129.482,908 153.024,909 220.022,910 44.313,911 6.046,913 153.024,914 44.313,917 72.678,918 97.11,919 56.28,921 153.024,922 147.232,923 123.149,925 6.046,926 153.024,927 16.008,928 101.095,929 52.685,930 94.547,931 153.024,932 147.232,933 123.149,935 0.59,936 0.33,937 0.176,938 0.093,939 22,940 9,941 0.109,942 5,943 1,944 1.095,945 3.933,946 230.739,947 0.095,948 21,949 124.382,953 1,954 17.465,955 6.988,956 3.92,957 1.872,958 130.569,959 17.414,960 12.669,961 2.923,964 2.635,966 52.685,967 423.405,968 43,971 -3.284,973 23.406,980 43.76,981 48.405,983 0.329,984 0.671,985 0.834,986 0.954,987 0.971,988 0.971,989 5.014,990 1.503,991 5.849,992 4.305,993 4.466,994 5.156,995 2.947,996 6.681,997 4.343,998 6.271,999 1.191,1000 7.425,1001 3.656,1002 4.205,1003 5.198,1005 7.803,1006 3.93,1007 7.623,1008 1.11,1009 9.112,1010 2.645,1011 6.129,1012 7.514,1013 5.028,1014 10.806,1015 5.849,1016 9.018,1017 1,1018 10.869,1019 2.528,1020 6.673,1021 8.376,1023 12.746,1024 6.222,1025 10.446,1026 0.657,1027 12.672,1028 2.234,1029 8.113,1030 10.199,1031 7.185,1032 15.337,1033 7.645,1034 11.899,1036 14.507,1037 1.679,1038 9.009,1039 11.422,1041 17.583,1042 8.381,1043 13.373,1044 -0.044,1045 16.366,1047 10.271,1048 13.059,1049 9.348,1050 20.058,1051 9.599,1052 3.32,1053 -0.601,1054 18.244,1055 -0.115,1056 11.321,1057 14.446,1059 22.42,1060 10.51,1061 3.061,1062 11.69,1063 20.135,1064 -1.448,1065 12.519,1066 16.01,1067 11.511,1068 24.864,1069 11.64,1070 2.734,1071 10.261,1072 22.038,1073 4.665,1074 13.638,1075 17.47,1077 27.272,1078 12.634,1079 2.44,1080 8.054,1081 23.95,1082 4.46,1083 14.816,1084 19.006,1085 13.675,1086 29.71,1087 13.728,1088 2.118,1089 7.174,1090 25.869,1091 3.704,1092 15.966,1093 20.5,1095 32.138,1096 14.764,1097 1.826,1098 6.24,1099 27.794,1100 3.395,1101 17.14,1102 22.027,1103 15.838,1104 34.579,1105 15.845,1106 1.548,1107 5.363,1108 29.724,1109 2.894,1110 18.306,1111 23.537,1113 37.016,1114 16.901,1115 8936,1116 16055,1117 20.167,1118 30.398,1119 45.442,1120 47.07,1121 45.188,1122 45.168,1123 45.013,1124 63.856,1125 7.5,1126 131.656,1127 42.411,1128 5.605,1129 7.18,1130 6.681,1131 5.266,1132 5.32,1133 7.665,1134 5.9,1135 18.669,1136 4.99,1137 11.843,1138 1.515,1139 1.569,1140 1.506,1141 1.506,1142 1.5,1143 2.129,1144 0.25,1145 4.389,1146 1.414,1147 4.115,1148 4.152,1149 4.735,1150 4.093,1151 7.716,1152 4.016,1153 4.067,1154 4.053,1155 4.068,1156 3.988,1157 6.999,1158 3.976,1159 3.829,1160 3.874,1161 3.829,1162 3.665,1163 5.11,1164 3.672,1165 3.637,1166 3.64,1167 3.661,1168 3.557,1169 5.002,1170 3.507,1171 3.359,1172 3.434,1173 3.275,1174 3.162,1175 4.687,1176 3.178,1177 3.112,1178 3.188,1179 3.022,1180 2.915,1181 4.428,1182 2.934,1183 3.001,1184 3.077,1185 2.889,1186 2.835,1187 4.09,1188 2.839,1189 2.782,1190 2.871,1191 2.585,1192 2.624,1193 3.971,1194 2.602,1195 0.16,1196 0.173,1197 0.237,1198 0.14,1199 0.111,1200 4.805,1201 0.156,1202 5.18,1203 0.098,1204 7.116,1205 0.39,1206 4.187,1207 0.1,1208 3.32,1209 4.665,1210 2.95,1211 11.69,1212 2.99,1213 1.977,1214 1.987,1215 2.024,1216 2.067,1217 1.216,1218 2.084,1219 1.94,1220 1.915,1221 1.99,1222 2.024,1223 1.157,1224 2.036,1225 1.72,1226 1.678,1227 1.8,1228 1.896,1229 0.841,1230 1.886,1231 1.541,1232 1.545,1233 1.585,1234 1.677,1235 0.77,1236 1.728,1237 1.312,1238 1.231,1239 1.457,1240 1.636,1241 0.407,1242 1.59,1243 1.031,1244 0.972,1245 1.233,1246 1.275,1247 0.293,1248 1.268,1249 1.011,1250 0.943,1251 1.222,1252 1.187,1253 0.267,1254 1.208,1255 0.841,1256 0.751,1257 1.084,1258 1.14,1259 0.204,1260 1.133,1261 4.111,1263 5.451,1264 2.398,1265 6.974,1266 4.595,1267 8.579,1268 6.605,1269 10.225,1271 1.17,1278 6.277,1289 29.379,1290 76.761,1291 156.6,1292 194.574,1293 222.574,1294 226.574,1295 226.574,1296 42.665,1297 7.603,1298 112.66,1299 121.04,1300 23,1301 12.487,1302 4.644,1303 3.807,1304 40.329,1305 110,1306 82,1307 0.179,1308 184.474,1309 302.61,1310 441.877,1311 22729,1313 18.855,1314 0.698,1315 0.561,1316 19.105,1317 15.156,1318 12.987,1319 0.433,1320 0.332,1321 8.126,1322 11.706,1323 7.769,1324 6.466,1325 13.882,1326 9.974,1327 12.511,1328 0.291,1329 0.185,1330 13.899,1331 7.968,1332 9.675,1333 0.179,1334 0.093,1335 10.418,1336 5.032,1337 8.215,1338 0.117,1339 0.047,1340 8.743,1341 3.304,1342 6.473,1343 0.077,1344 0.026,1345 6.959,1346 2.156,1347 0.284,1348 90.5,1349 0.223,1350 26.049,1351 0.481,1352 146,1353 458.265,1354 194.172,1355 470.252,1356 642.41,1357 434,1358 170,1359 459.613,1360 223.238,1361 497.935,1362 715.16,1363 465,1364 5.597}
{0 CHEMBL1240544,1 1.766,2 7.773,3 1.645,4 2.707,5 86.264,6 8.616,7 0.667,8 3.748,9 3.88,10 3.417,11 3.244,12 4.982,13 3.251,14 4.218,15 4.388,16 3.822,17 3.637,18 5.395,19 3.627,20 4.456,21 4.648,22 3.974,23 3.76,24 5.687,25 3.742,26 4.537,27 4.757,28 3.851,29 3.764,30 5.732,31 3.722,32 4.486,33 4.712,34 3.723,35 3.715,36 5.605,37 3.661,38 4.407,39 4.601,40 3.74,41 3.674,42 5.603,43 3.618,44 4.491,45 4.74,46 3.599,47 3.584,48 5.725,49 3.464,50 4.348,51 4.649,52 3.301,53 3.257,54 5.444,55 3.088,56 0.139,57 0.601,58 6.424,59 2.733,60 16.976,61 3.436,62 0.232,63 0.906,64 12.066,65 4.705,66 24.714,67 6.226,68 0.416,69 1.051,70 18.975,71 5.751,72 40.198,73 7.691,74 0.505,75 1.111,76 21.989,77 6.08,78 49.822,79 8.318,80 0.416,81 1.059,82 17.939,83 5.661,84 41.53,85 8.042,86 0.326,87 0.984,88 15.312,89 5.365,90 31.247,91 7.414,92 0.527,93 0.889,94 20.967,95 6.262,96 65.82,97 9.002,98 0.514,99 0.596,100 23.898,101 5.831,102 65.467,103 8.554,104 28,105 35,106 0.318,107 0.752,108 0.862,109 0.886,110 0.886,111 0.886,112 3.149,113 0.885,114 -3.89,115 -3.84,116 -3.65,118 37.8,119 1,124 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 2,159 2,160 2,161 1,167 3,170 2,171 6,172 1,173 1,175 2,178 4,180 1,181 1,182 4,183 1,184 1,186 4,188 5,190 1,191 2,192 6,194 4,195 4,197 2,199 3,201 1,204 5,205 1,206 2,208 4,211 1,213 3,215 4,218 1,220 3,223 3,225 3,228 1,230 1,231 3,232 2,233 2,234 3,235 1,237 2,238 1,240 2,245 3,249 2,256 1,259 1,260 1,264 608,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.71,271 11.546,272 8.322,273 15.057,274 11.722,275 11.722,276 11.722,277 11.722,278 11.722,279 8.795,280 7.976,281 3.816,282 12.484,283 3.444,284 1.034,285 0.419,286 0.291,287 0.291,288 0.291,289 3.821,290 1,292 1,293 1,294 1,295 359,296 2.828,299 42.576,300 113.692,303 81.322,307 1.087,308 26.268,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 48.333,320 171,321 4.761,322 3.387,323 7.044,324 4.304,325 3.341,326 4.732,328 12.109,329 3.219,330 4.217,331 3.176,332 6.209,333 3.772,334 2.832,335 3.88,337 9.083,338 2.66,339 3.836,340 2.73,341 5.947,342 3.519,343 2.573,344 3.225,346 8.175,347 2.424,348 3.679,349 2.453,350 5.667,351 3.255,352 2.322,353 3.085,355 7.27,356 2.12,357 3.089,358 1.92,359 4.927,360 2.764,361 1.824,362 2.253,364 5.132,365 1.711,366 2.992,367 1.87,368 4.469,369 2.444,370 1.509,371 2.188,373 4.128,374 1.406,375 2.82,376 1.531,377 4.047,378 2.346,379 1.414,380 1.948,382 3.513,383 1.279,384 2.542,385 1.144,386 4.023,387 2.045,388 1.095,389 1.559,391 2.94,392 1.036,393 2.26,394 1.056,395 3.595,396 1.868,397 0.936,398 1.196,400 2.287,401 0.861,402 1.372,403 0.599,404 2.736,405 1.104,406 0.172,407 0.181,409 0.257,410 0.158,411 1.228,412 0.392,413 2.576,414 0.924,415 0.098,416 0.118,417 0.198,418 0.07,419 1.039,420 -0.158,421 2.387,422 0.609,423 -0.302,424 -0.383,425 -0.695,426 -0.274,427 0.78,428 -0.286,429 2.373,430 0.35,431 -0.595,432 -0.77,433 -1.604,434 -0.539,435 0.609,436 -0.711,437 2.205,438 0.103,439 -0.82,440 -1.105,441 -2.254,442 -0.714,443 0.22,444 -0.867,445 2,446 -0.141,447 -1.059,448 -1.255,449 -2.822,450 -0.892,451 10.448,452 0.475,453 0.648,454 0.029,455 29.75,456 1.352,457 15,458 0.682,459 14.75,460 0.67,461 16.738,462 0.761,463 23.752,464 0.642,465 21.439,466 0.974,467 5.818,468 0.264,469 4.706,470 0.214,471 0.225,473 0.421,478 0.975,479 1.226,480 0.633,481 0.833,482 1.125,483 0.789,484 0.732,485 1.138,486 0.597,487 0.855,488 0.642,489 0.791,490 0.933,491 1.188,492 0.806,493 0.945,494 0.755,495 0.86,496 1.01,497 0.924,498 1.018,499 0.94,500 0.917,501 0.957,502 0.908,503 1.054,504 0.735,505 0.885,506 0.739,507 0.969,508 0.857,509 1.388,510 0.859,511 1.254,512 0.911,513 1.258,514 0.742,515 0.973,516 0.912,517 1.104,518 0.883,519 1.202,520 0.977,521 0.709,522 0.874,523 0.889,524 1.218,525 0.924,526 4.5,528 3.333,529 2.042,530 1.807,531 0.907,532 0.627,533 0.414,534 0.185,535 0.051,536 4133,537 14018,538 2.017,539 40.5,541 6,543 1,544 5,546 3,549 1.654,550 1.833,551 2.953,552 2.824,553 1,554 1,556 1,558 65.334,559 1.766,560 4.175,561 4.79,562 4.919,563 4.919,564 4.919,565 2.392,566 4.459,567 4.43,568 3.047,569 703.914,570 7.655,571 7464.11,572 1,573 1,575 1,576 192.75,577 1.544,578 4.36,579 0.188,581 0.095,582 0.054,583 0.052,584 0.029,585 0.022,586 0.02,587 0.015,588 0.01,589 0.484,590 0.33,591 1,592 1.094,593 98.203,594 -0.16,595 0.021,596 -0.014,597 0.107,598 -0.264,599 0.084,600 0.032,601 0.021,602 0.117,603 0.1,604 0.036,605 0.133,606 0.007,607 -0.117,608 0.079,609 0.01,610 0.092,611 0.07,612 -0.079,613 0.135,614 -0.135,615 -0.026,616 -0.074,617 -0.042,618 -0.104,620 -0.058,621 0.011,622 -0.01,623 -0.039,624 -0.051,625 -0.3,626 -0.14,627 -0.328,628 -0.087,629 -0.336,630 0.171,631 -0.038,632 -0.025,633 -0.164,634 0.115,635 -0.222,636 0.105,637 0.019,638 0.251,639 0.114,640 0.016,641 0.154,642 1.691,643 3.816,644 0.682,645 15.364,646 1.018,647 1.141,648 2.656,649 7.052,650 0.68,651 3.219,652 3.584,653 3.912,654 4.205,655 4.477,656 4.615,657 4.71,658 4.787,659 4.736,660 4.615,661 4.739,662 0.657,663 318.8,664 3.219,665 4.779,666 5.659,667 6.567,668 7.474,669 8.391,670 9.308,671 10.23,672 11.151,673 12.075,674 16.2,675 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 37,718 16,719 1,720 24,722 39,723 14,724 11,725 3,726 3,728 3,729 4,730 1,732 2,738 1,740 11,741 3,756 1,757 1,760 15,761 6,762 5,763 8,764 1,769 6,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,813 1,819 2,823 1,824 1,827 22,828 2,832 1,833 1,837 1,849 1,850 2.7,852 1,858 12,859 6.726,860 4.861,861 2.033,863 3.124,864 1.45,865 0.973,866 3.908,867 10.069,868 3.497,869 4.186,870 4.874,871 5.543,872 6.137,873 6.548,874 6.983,875 7.424,876 7.67,877 7.911,878 1,879 38,880 8.062,881 3.469,882 7.937,883 14.981,884 12.231,885 2.437,886 53.611,890 117.711,891 64.037,892 117.805,893 39.149,894 42.683,897 64.037,898 199.543,899 117.805,900 8.825,901 35.003,902 61.326,903 106.404,904 22.411,905 2.328,906 105.94,907 39.149,908 117.711,909 181.842,910 42.683,911 39.149,913 82.398,914 77.997,917 58.695,918 72.913,919 89.383,921 117.711,922 160.488,923 103.186,926 117.711,927 18.165,928 47.649,930 197.86,931 117.711,932 160.488,933 103.186,935 0.592,936 0.365,937 0.193,938 0.113,939 18,940 9,941 0.077,942 3,943 1,944 1.133,945 3.229,946 181.498,947 0.133,948 15,949 98.107,954 15.03,955 5.721,956 2.531,957 1.236,958 158.712,959 6.285,960 12.85,964 1.831,965 1.717,966 108.478,967 381.385,968 32,980 37.68,981 42.219,983 0.339,984 0.801,985 0.92,986 0.944,987 0.944,988 0.944,989 4.745,990 1.095,991 5.68,992 3.513,993 4.263,994 4.871,996 6.564,997 4.145,998 5.996,999 0.936,1000 7.292,1001 2.94,1002 4.007,1003 4.856,1005 7.621,1006 3.819,1007 7.34,1008 0.172,1009 9.005,1010 2.287,1011 5.927,1012 7.208,1014 10.768,1015 5.719,1016 8.726,1017 0.098,1018 10.775,1019 0.257,1020 6.479,1021 8.032,1023 12.66,1024 6.211,1025 10.144,1026 -0.302,1027 12.582,1028 0.198,1029 7.909,1030 9.882,1032 15.353,1033 7.622,1034 11.588,1035 -0.595,1036 14.414,1037 -0.695,1038 8.815,1039 11.096,1041 17.594,1042 8.48,1043 13.051,1044 -0.82,1045 16.265,1046 -1.604,1047 10.074,1048 12.752,1050 20.141,1051 9.715,1052 3.341,1053 -1.059,1054 18.131,1055 -2.254,1056 11.137,1057 14.148,1059 22.53,1060 10.738,1061 2.832,1062 12.109,1063 20.009,1064 -2.822,1065 12.34,1066 15.73,1068 25.033,1069 11.913,1070 2.573,1071 9.083,1072 21.898,1073 4.732,1074 13.472,1075 17.209,1077 27.483,1078 13.01,1079 2.322,1080 8.175,1081 23.794,1082 3.88,1083 14.661,1084 18.766,1086 29.975,1087 14.168,1088 1.824,1089 7.27,1090 25.698,1091 3.225,1092 15.826,1093 20.283,1095 32.449,1096 15.299,1097 1.509,1098 5.132,1099 27.609,1100 3.085,1101 17.014,1102 21.832,1104 34.94,1105 16.455,1106 1.414,1107 4.128,1108 29.525,1109 2.253,1110 18.196,1111 23.367,1113 37.425,1114 17.603,1115 4172,1116 7793,1117 15.433,1118 25.154,1119 36.468,1120 37.202,1121 39.356,1122 36.26,1123 36.236,1124 48.731,1126 110.184,1127 33.888,1128 5.486,1129 5.387,1130 6.587,1131 5.377,1132 5.341,1133 7.732,1135 19.605,1136 5.219,1137 12.74,1138 1.519,1139 1.55,1140 1.64,1141 1.511,1142 1.51,1143 2.03,1145 4.591,1146 1.412,1147 4.133,1148 4.18,1149 4.131,1150 3.996,1151 6.471,1152 4.018,1153 3.841,1154 3.862,1155 3.947,1156 3.746,1157 5.257,1158 3.754,1159 3.608,1160 3.687,1161 3.483,1162 3.426,1163 5.012,1164 3.425,1165 3.233,1166 3.324,1167 3.352,1168 3.01,1169 4.88,1170 3.034,1171 3.052,1172 3.165,1173 3.059,1174 2.754,1175 4.804,1176 2.776,1177 2.993,1178 3.11,1179 2.873,1180 2.746,1181 4.511,1182 2.747,1183 2.93,1184 2.971,1185 2.804,1186 2.688,1187 4.216,1188 2.69,1189 2.784,1190 2.837,1191 2.734,1192 2.624,1193 3.876,1194 2.626,1195 0.198,1196 0.141,1197 0.293,1198 0.179,1199 0.139,1200 4.761,1201 0.197,1202 3.387,1204 7.044,1205 0.505,1206 4.304,1207 0.134,1208 3.341,1209 4.732,1211 12.109,1212 3.219,1213 1.924,1214 1.907,1215 1.979,1216 2.037,1217 1.176,1218 2.016,1219 1.795,1220 1.748,1221 1.933,1222 1.976,1223 1.11,1224 1.969,1225 1.618,1226 1.556,1227 1.762,1228 1.82,1229 0.829,1230 1.815,1231 1.154,1232 1.097,1233 1.449,1234 1.467,1235 0.475,1236 1.447,1237 1.028,1238 0.902,1239 1.252,1240 1.345,1241 0.262,1242 1.357,1243 0.883,1244 0.839,1245 1.15,1246 1.221,1247 0.139,1248 1.203,1249 0.877,1250 0.785,1251 1.108,1252 1.135,1253 0.033,1254 1.13,1255 0.766,1256 0.673,1257 1.016,1258 1.067,1260 1.065,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.445,1268 7.081,1269 10.143,1271 1.938,1272 5.854,1275 11.725,1276 9.816,1277 0.409,1281 -0.05,1289 24.305,1290 65.334,1291 154.485,1292 177.24,1293 181.995,1294 181.995,1295 181.995,1296 38.844,1297 6.945,1298 115.87,1299 115.87,1300 17,1301 12.581,1302 4.087,1303 3.17,1304 34.119,1305 61,1306 64,1307 0.284,1308 155.486,1309 252.5,1310 371.146,1311 7880,1312 2.7,1313 15.853,1314 0.721,1315 0.574,1316 16.353,1317 12.619,1318 10.524,1319 0.439,1320 0.295,1321 6.625,1322 9.805,1323 6.442,1324 5.341,1325 10.813,1326 7.08,1327 9.626,1328 0.275,1329 0.155,1330 9.997,1331 5.409,1332 8.556,1333 0.175,1334 0.078,1335 8.985,1336 3.816,1337 6.809,1338 0.103,1339 0.036,1340 6.961,1341 2.382,1342 5.709,1343 0.066,1344 0.019,1345 5.904,1346 1.675,1347 0.42,1348 69.393,1349 0.255,1350 20.956,1351 0.861,1352 118,1353 357.558,1354 145.753,1355 381.836,1356 517.19,1357 354,1358 143,1359 371.609,1360 168.842,1361 384.849,1362 567.96,1363 362,1364 5}
{0 CHEMBL1240545,1 1.471,2 8.773,3 2.34,4 5.475,5 86.85,6 7.694,7 0.667,8 3.741,9 3.878,10 3.34,11 3.289,12 4.942,13 3.277,14 4.235,15 4.424,16 3.696,17 3.662,18 5.317,19 3.631,20 4.438,21 4.645,22 3.775,23 3.786,24 5.543,25 3.745,26 4.545,27 4.781,28 3.775,29 3.808,30 5.67,31 3.746,32 4.469,33 4.701,34 3.598,35 3.734,36 5.55,37 3.659,38 4.343,39 4.55,40 3.48,41 3.643,42 5.47,43 3.557,44 4.434,45 4.713,46 3.132,47 3.54,48 5.401,49 3.383,50 4.251,51 4.58,52 2.827,53 3.255,54 5.056,55 3.049,56 0.046,57 0.624,58 7.17,59 2.969,60 11.538,61 4.02,62 0.134,63 0.961,64 13.307,65 5.039,66 18.808,67 7.089,68 0.16,69 1.142,70 16.911,71 5.629,72 24.499,73 8.137,74 0.285,75 1.214,76 20.04,77 6.564,78 36.203,79 9.593,80 0.209,81 1.111,82 18.361,83 5.674,84 33.67,85 8.336,86 0.119,87 0.998,88 15.228,89 5.288,90 27.564,91 7.588,92 0.239,93 0.951,94 19.415,95 5.97,96 41.116,97 8.97,98 0.157,99 0.704,100 17.893,101 6.191,102 29.69,103 9.482,104 22,105 34,106 0.261,107 0.677,108 0.774,109 0.792,110 0.792,111 0.792,112 3.148,113 0.883,114 -4.28,115 -4.22,116 -3.98,118 42.1,119 2,120 1,126 1,138 4,139 3,142 1,143 1,144 1,153 1,156 1,158 1,159 1,160 1,161 1,167 7,170 2,171 8,172 1,173 1,175 1,178 10,180 1,181 1,182 6,188 7,191 2,192 10,194 3,195 3,197 1,199 5,201 1,204 9,208 2,211 3,213 2,215 9,220 4,223 5,225 4,228 3,233 1,235 4,237 1,239 1,240 3,245 1,247 2,249 1,251 1,260 2,264 642,265 14.853,266 14.853,267 14.853,268 14.853,269 14.853,270 12.815,271 14.04,272 8.752,273 15.133,274 11.798,275 11.798,276 11.798,277 11.798,278 11.798,279 8.654,280 11.759,281 4.032,282 12.247,283 3.777,284 1.425,285 0.882,286 0.777,287 0.777,288 0.777,289 3.825,292 1,293 1,294 1,295 409,296 2.915,299 44.135,300 117,303 83.951,307 1.45,308 17.901,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 47,320 193,321 4.757,322 4.055,323 7.038,324 4.298,325 3.335,326 4.73,327 2.517,328 12.08,329 3.214,330 4.076,331 3.373,332 6.147,333 3.677,334 2.696,335 3.682,337 8.817,338 2.648,339 3.804,340 2.797,341 5.766,342 3.463,343 2.502,344 3.205,346 7.643,347 2.402,348 3.681,349 2.651,350 5.312,351 3.272,352 2.296,353 3.021,355 6.81,356 2.236,357 3.374,358 2.423,359 4.819,360 2.685,361 1.743,362 2.281,364 4.818,365 1.638,366 3.029,367 1.824,368 4.463,369 2.494,370 1.548,371 2.131,373 4.166,374 1.461,375 2.975,376 1.593,377 3.862,378 2.105,379 1.155,380 1.801,382 2.776,383 1.095,384 2.526,385 1.23,386 3.494,387 2,388 1,389 1.501,391 2.275,392 1,393 2.5,394 1.014,395 3.414,396 1.96,397 1,398 1.5,400 2.115,401 0.958,402 2.128,403 1,404 3.156,405 1.759,406 0.799,407 1.028,409 1.756,410 0.765,411 1.423,412 0.832,413 2.581,414 0.839,415 -0.128,416 -0.181,417 -0.24,418 -0.124,419 1.059,420 -0.105,421 2.414,422 0.608,423 -0.306,424 -0.403,425 -0.696,426 -0.28,427 0.773,428 -0.245,429 2.251,430 0.239,431 -0.717,432 -1,433 -1.48,434 -0.682,435 0.571,436 -0.763,437 2,438 0.053,439 -0.887,440 -1.048,441 -2,442 -0.834,443 0.5,444 -0.966,445 2,447 -1,448 -1.198,449 -2.316,450 -1,451 10.4,452 0.473,453 0.559,454 0.025,455 31.75,456 1.443,457 17.5,458 0.795,459 14.25,460 0.648,461 15.63,462 0.71,463 22.6,464 0.595,465 21.354,466 0.971,467 6.052,468 0.275,469 4.561,470 0.207,471 0.173,473 0.375,478 0.83,479 1.222,480 0.764,481 1.011,482 0.71,483 0.901,484 0.697,485 1.05,486 0.709,487 0.921,488 0.474,489 0.835,490 1.141,491 1.158,492 0.936,493 0.979,494 0.822,495 0.936,496 0.906,497 0.936,498 0.909,499 0.926,500 0.653,501 0.919,502 1.399,503 1.035,504 1.177,505 0.992,506 1.033,507 1.041,508 1.222,509 1.314,510 1.292,511 1.336,512 1.077,513 1.326,514 1.294,515 0.892,516 1.322,517 1.075,518 1.041,519 1.18,520 0.384,521 0.778,522 0.734,523 0.917,524 0.436,525 0.885,526 4,527 0.054,528 2.667,529 1.854,530 1.656,531 0.917,532 0.428,533 0.301,534 0.183,535 0.11,536 4417,537 12542,538 2.043,539 42.1,541 5,543 1,544 2,545 2,546 6,549 1.649,550 1.886,551 3.06,552 0.348,553 1,554 1,556 1,558 55.911,559 1.471,560 3.823,561 4.366,562 4.471,563 4.471,564 4.471,565 2.556,566 4.005,567 4.423,568 3.219,569 743.476,570 7.625,571 7899.4,572 1,573 1,575 1,576 199.421,577 1.495,578 4.376,579 0.167,580 0.008,581 0.078,582 0.052,583 0.047,584 0.032,585 0.017,586 0.019,587 0.015,588 0.011,589 0.445,590 0.5,591 1,592 1.167,593 99.461,594 0.028,595 -0.056,596 0.044,597 -0.009,598 -0.038,599 0.015,600 0.205,601 0.023,602 0.18,603 0.074,604 0.073,605 0.114,606 -0.114,607 -0.095,608 -0.018,609 -0.021,610 -0.066,611 -0.008,612 0.15,613 0.076,614 0.057,615 0.027,616 0.089,617 0.028,618 -0.325,619 -0.008,620 -0.225,621 -0.049,622 -0.134,623 -0.109,624 -0.266,625 -0.272,626 -0.385,627 -0.37,628 -0.166,629 -0.391,630 -0.301,631 0.023,632 -0.307,633 -0.11,634 -0.252,635 -0.192,636 0.297,637 -0.041,638 0.355,639 0.142,640 0.245,641 0.237,642 1.243,643 2.749,644 0.682,645 17.124,646 1.001,647 1.133,648 3.051,649 9.306,650 0.68,651 3.219,652 3.555,653 3.871,654 4.19,655 4.443,656 4.564,657 4.635,658 4.718,659 4.7,660 4.663,661 5.136,662 0.652,663 292.38,664 3.219,665 4.762,666 5.631,667 6.532,668 7.431,669 8.344,670 9.253,671 10.172,672 11.087,673 12.008,674 15.8,678 1,682 1,683 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,708 1,716 38,718 17,719 1,720 24,722 40,723 16,724 11,725 2,726 4,728 3,729 4,732 2,738 2,739 1,740 11,741 4,756 1,757 1,760 16,761 5,762 2,763 6,769 6,775 0.667,785 1,788 1,793 1,794 2,797 1,803 1,819 2,823 2,827 22,828 1,833 1,837 1,842 1,846 1,848 1,858 11.667,859 7.583,860 4.917,861 2.296,863 3.325,864 1.478,865 0.984,866 3.685,867 10.285,868 3.555,869 4.186,870 4.859,871 5.549,872 6.13,873 6.528,874 6.968,875 7.416,876 7.667,877 7.975,878 0.833,879 36,880 8.048,881 3.368,882 7.788,883 15.26,884 12.336,885 2.288,886 50.333,890 164.795,891 99.054,892 115.967,897 99.054,898 164.795,899 115.967,900 17.65,901 2.535,902 70.802,903 80.322,904 53.155,905 2.328,906 153.024,908 164.795,909 215.022,913 94.169,914 70.627,917 66.112,918 98.676,919 50.234,921 164.795,922 115.967,923 99.054,926 164.795,927 18.279,928 65.951,929 16.602,930 114.191,931 164.795,932 115.967,933 99.054,935 0.578,936 0.346,937 0.199,938 0.115,939 17,940 8,941 0.075,942 3,943 1,944 1.133,945 3.319,946 177.322,947 0.133,948 15,949 92.107,954 14.344,955 5.652,956 2.52,957 1.503,958 114.191,959 9.215,960 13.071,964 3.106,965 1.853,966 32.897,967 379.817,968 34,980 38.029,981 43.066,983 0.28,984 0.729,985 0.832,986 0.852,987 0.852,988 0.852,989 4.796,990 1,991 5.631,992 2.776,993 4.234,994 4.871,995 2.615,996 6.497,997 4.164,998 6.038,999 1,1000 7.223,1001 2.275,1002 3.892,1003 4.745,1005 7.532,1006 3.793,1007 7.366,1008 0.799,1009 8.921,1010 2.115,1011 5.866,1012 7.173,1013 4.398,1014 10.683,1015 5.732,1016 8.734,1017 -0.128,1018 10.681,1019 1.756,1020 6.365,1021 7.939,1023 12.586,1024 6.197,1025 10.136,1026 -0.306,1027 12.482,1028 -0.24,1029 7.828,1030 9.827,1031 6.233,1032 15.277,1033 7.628,1034 11.565,1035 -0.717,1036 14.312,1037 -0.696,1038 8.708,1039 11.018,1041 17.533,1042 8.47,1043 13.016,1044 -0.887,1045 16.164,1046 -1.48,1047 9.983,1048 12.692,1049 8.077,1050 20.081,1051 9.712,1052 3.335,1053 -1,1054 18.032,1055 -2,1056 11.037,1057 14.083,1059 22.479,1060 10.725,1061 2.696,1062 12.08,1063 19.913,1064 -2.316,1065 12.248,1066 15.676,1067 9.923,1068 24.984,1069 11.902,1070 2.502,1071 8.817,1072 21.806,1073 4.73,1074 13.38,1075 17.157,1077 27.438,1078 12.994,1079 2.296,1080 7.643,1081 23.707,1082 3.682,1083 14.575,1084 18.72,1085 11.769,1086 29.931,1087 14.151,1088 1.743,1089 6.81,1090 25.616,1091 3.205,1092 15.743,1093 20.241,1095 32.407,1096 15.28,1097 1.548,1098 4.818,1099 27.532,1100 3.021,1101 16.936,1102 21.795,1103 13.615,1104 34.898,1105 16.435,1106 1.155,1107 4.166,1108 29.453,1109 2.281,1110 18.121,1111 23.333,1113 37.383,1114 17.581,1115 4432,1116 7565,1117 15.72,1118 25.841,1119 37.379,1120 39.571,1121 38.275,1122 36.177,1123 36.147,1124 49.76,1125 5.034,1126 106.512,1127 34.832,1128 5.442,1129 6.055,1130 6.808,1131 5.371,1132 5.335,1133 7.73,1134 5.034,1135 19.53,1136 5.214,1137 11.603,1138 1.557,1139 1.649,1140 1.595,1141 1.507,1142 1.506,1143 2.073,1144 0.21,1145 4.438,1146 1.451,1147 4.134,1148 4.181,1149 4.115,1150 4.003,1151 6.818,1152 4.022,1153 3.869,1154 3.905,1155 3.809,1156 3.774,1157 5.256,1158 3.782,1159 3.577,1160 3.655,1161 3.445,1162 3.41,1163 4.881,1164 3.401,1165 3.406,1166 3.464,1167 3.341,1168 3.255,1169 4.687,1170 3.268,1171 3.157,1172 3.248,1173 3.064,1174 2.913,1175 4.473,1176 2.946,1177 2.992,1178 3.101,1179 2.875,1180 2.735,1181 4.074,1182 2.723,1183 2.874,1184 3.009,1185 2.687,1186 2.683,1187 3.727,1188 2.715,1189 2.854,1190 2.925,1191 2.616,1192 2.618,1193 3.674,1194 2.57,1195 0.198,1196 0.169,1197 0.293,1198 0.179,1199 0.139,1200 4.757,1201 0.197,1202 4.055,1203 0.105,1204 7.038,1205 0.503,1206 4.298,1207 0.134,1208 3.335,1209 4.73,1210 2.517,1211 12.08,1212 3.214,1213 1.955,1214 1.932,1215 2.047,1216 2.043,1217 1.19,1218 2.039,1219 1.808,1220 1.76,1221 1.947,1222 1.996,1223 1.143,1224 1.983,1225 1.626,1226 1.561,1227 1.791,1228 1.823,1229 0.892,1230 1.824,1231 1.373,1232 1.318,1233 1.543,1234 1.553,1235 0.625,1236 1.553,1237 1.07,1238 0.998,1239 1.417,1240 1.366,1241 0.469,1242 1.34,1243 0.934,1244 0.821,1245 1.229,1246 1.239,1247 0.218,1248 1.308,1249 0.886,1250 0.804,1251 1.181,1252 1.186,1253 0.189,1254 1.168,1255 0.847,1256 0.758,1257 1.093,1258 1.062,1259 0.032,1260 1.107,1261 3.892,1263 5.22,1264 2.398,1265 6.756,1266 4.844,1267 8.39,1268 7.081,1269 10.077,1271 4.092,1275 6.038,1277 0.396,1281 0.17,1287 8.749,1288 2.141,1289 24.762,1290 55.911,1291 145.282,1292 165.911,1293 169.911,1294 169.911,1295 169.911,1296 31.955,1297 6.959,1298 93.41,1299 93.41,1300 17,1301 12.517,1302 4.17,1303 3.459,1304 34.339,1305 65,1306 88,1307 0.264,1308 156.487,1309 257.82,1310 373.588,1311 8272,1313 15.69,1314 0.713,1315 0.567,1316 15.69,1317 12.485,1318 10.613,1319 0.442,1320 0.294,1321 6.978,1322 10.242,1323 6.738,1324 5.651,1325 10.613,1326 7.064,1327 9.526,1328 0.28,1329 0.158,1330 9.526,1331 5.376,1332 7.987,1333 0.17,1334 0.075,1335 7.987,1336 3.518,1337 6.954,1338 0.107,1339 0.037,1340 6.954,1341 2.429,1342 5.703,1343 0.068,1344 0.02,1345 5.703,1346 1.667,1347 0.399,1348 66.177,1349 0.252,1350 21.29,1351 0.769,1352 116,1353 325.538,1354 126.13,1355 328.068,1356 456.08,1357 306,1358 139,1359 348.701,1360 150.129,1361 355.766,1362 518.65,1363 334,1364 4}
{0 CHEMBL1240553,1 1.591,2 8.68,3 3.069,4 9.419,5 96.736,6 7.379,7 0.571,8 3.952,9 4.076,10 3.521,11 3.431,12 5.048,13 3.431,14 4.501,15 4.681,16 3.881,17 3.831,18 5.507,19 3.812,20 4.686,21 4.894,22 3.963,23 3.936,24 5.679,25 3.898,26 4.731,27 4.95,28 3.988,29 3.958,30 5.783,31 3.923,32 4.748,33 4.958,34 3.877,35 3.988,36 5.739,37 3.925,38 4.71,39 4.925,40 3.823,41 3.959,42 5.694,43 3.872,44 4.757,45 5.011,46 3.719,47 3.868,48 5.714,49 3.761,50 4.658,51 4.926,52 3.434,53 3.67,54 5.563,55 3.538,56 0.063,57 0.716,58 9.816,59 3.972,60 10.19,61 5.333,62 0.292,63 1.124,64 19.206,65 6.653,66 24.271,67 9.133,68 0.338,69 1.318,70 23.593,71 7.574,72 26.962,73 11.231,74 0.405,75 1.381,76 25.062,77 7.632,78 37.62,79 11.228,80 0.431,81 1.375,82 25.429,83 7.785,84 37.63,85 11.379,86 0.298,87 1.332,88 23.901,89 8.16,90 30.558,91 12.103,92 0.46,93 1.263,94 26.872,95 8.326,96 43.361,97 12.751,98 0.471,99 1.046,100 25.29,101 7.528,102 43.699,103 11.376,104 14,105 40,106 0.273,107 0.614,108 0.737,109 0.792,110 0.8,111 0.807,112 3.269,113 0.904,114 -4.62,115 -4.54,116 -4.27,118 39.1,120 4,123 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 9,172 1,173 1,175 1,178 6,180 1,181 2,182 11,188 3,191 2,192 11,194 3,195 3,197 1,199 3,201 1,203 1,204 8,208 2,211 4,213 2,214 2,215 5,220 3,223 6,225 3,227 3,228 2,230 1,231 1,233 2,235 6,237 2,239 2,240 2,242 1,243 1,247 2,252 4,264 879,265 17.378,266 17.378,267 17.378,268 17.378,269 17.378,270 15.547,271 16.719,272 10.08,273 17.967,274 13.696,275 13.696,276 13.696,277 13.696,278 13.696,279 10.755,280 15.44,281 4.572,282 14.465,283 3.933,284 1.943,285 1.223,286 0.902,287 0.859,288 0.815,289 3.964,292 1,293 1,294 1,295 473,296 2.55,299 104.123,300 132.062,303 93.057,307 1.238,308 20.887,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 54.5,320 217,321 4.764,322 3.395,323 7.051,324 4.311,325 3.348,326 4.733,327 0.86,328 12.147,329 3.226,330 4.263,331 3.182,332 6.285,333 3.851,334 2.899,335 3.916,336 0.86,337 9.452,338 2.759,339 3.884,340 2.79,341 6.125,342 3.63,343 2.669,344 3.247,346 8.883,347 2.562,348 3.708,349 2.452,350 5.745,351 3.313,352 2.36,353 3.113,355 7.603,356 2.241,357 3.239,358 2.178,359 5.079,360 2.949,361 1.995,362 2.365,364 5.69,365 1.898,366 3.008,367 2.038,368 4.516,369 2.523,370 1.614,371 2.247,373 4.324,374 1.461,375 2.919,376 1.563,377 4.33,378 2.462,379 1.524,380 2.057,382 3.982,383 1.425,384 2.639,385 1.411,386 4.234,387 2.307,388 1.343,389 1.685,391 3.529,392 1.291,393 2.455,394 1.155,395 3.665,396 1.991,397 1.057,398 1.441,400 2.579,401 0.984,402 1.893,403 0.949,404 3.25,405 1.678,406 0.714,407 0.819,409 1.754,410 0.684,411 1.832,412 0.919,413 3.04,414 1.618,415 0.618,416 0.734,417 1.372,418 0.618,419 1.618,420 0.694,421 3,422 1.527,423 0.618,424 0.618,425 1.165,426 0.558,427 1.453,428 0.618,429 2.702,430 1.184,431 0.334,432 0.364,433 0.445,434 0.281,435 1.061,436 -0.002,437 2.473,438 0.638,439 -0.278,440 -0.35,441 -0.63,442 -0.254,443 0.867,444 -0.168,445 2.445,446 0.476,447 -0.449,448 -0.555,449 -0.866,450 -0.408,451 11.667,452 0.467,453 0.534,454 0.021,455 32.5,456 1.3,457 15.5,458 0.62,459 17,460 0.68,461 20.607,462 0.824,463 27.333,464 0.594,465 23.236,466 0.929,467 6.176,468 0.247,469 6.048,470 0.242,471 0.12,473 0.377,478 0.883,479 1.354,480 0.781,481 1.173,482 0.932,483 0.989,484 1.163,485 1.029,486 0.832,487 0.888,488 0.827,489 0.828,490 0.855,491 1.253,492 0.833,493 1.032,494 0.673,495 0.939,496 1.011,497 0.992,498 0.898,499 0.901,500 0.939,501 0.875,502 1.281,503 1.064,504 1.189,505 0.986,506 1.211,507 1.051,508 0.739,509 1.246,510 1.089,511 1.246,512 1.075,513 1.22,514 0.707,515 1.042,516 0.993,517 1.086,518 1.086,519 1.08,520 0.979,521 0.908,522 1.09,523 1.047,524 1.039,525 1.079,526 4,527 0.052,528 3.111,529 1.944,530 1.807,531 0.921,532 0.551,533 0.471,534 0.241,535 0.113,536 6422,537 15947,538 2.13,539 45.7,540 4,541 10,543 1,544 2,546 4,549 1.688,550 2,551 3.112,552 0.312,553 1,554 1,558 73.177,559 1.591,560 3.581,561 4.3,562 4.621,563 4.665,564 4.708,565 2.504,566 4.324,567 4.614,568 3.227,569 968.01,570 8.022,571 11246.2,573 1,575 1,576 254.084,577 1.388,578 4.579,579 0.143,580 0.007,581 0.078,582 0.046,583 0.042,584 0.024,585 0.016,586 0.016,587 0.011,588 0.008,589 0.392,590 0.17,591 1,592 0.844,593 117.476,594 -0.004,595 -0.119,596 0.074,597 -0.08,598 -0.021,599 -0.002,600 -0.054,601 0.069,602 0.108,603 0.137,604 0.082,605 0.139,606 0.083,607 -0.186,608 0.112,609 -0.036,610 0.183,611 0.032,612 -0.007,613 0.097,614 0.063,615 0.053,616 0.073,617 0.065,618 -0.235,619 0.019,620 -0.238,621 -0.012,622 -0.231,623 -0.107,624 0.015,625 -0.17,626 -0.173,627 -0.235,628 -0.117,629 -0.234,630 0.157,631 -0.066,632 -0.02,633 -0.12,634 0.001,635 -0.1,636 0.059,637 -0.003,638 -0.078,639 -0.098,640 0.027,641 -0.106,642 1.223,643 2.173,644 0.8,645 19.606,646 1.005,647 1.135,648 3.386,649 11.463,650 0.653,651 3.367,652 3.714,653 4.078,654 4.407,655 4.635,656 4.82,657 4.997,658 5.153,659 5.215,660 5.187,661 5.277,662 0.625,663 339.44,664 3.367,665 4.92,666 5.808,667 6.715,668 7.625,669 8.543,670 9.462,671 10.385,672 11.308,673 12.235,674 10.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 46,718 16,719 1,720 28,722 49,723 18,724 11,725 3,726 3,728 4,729 5,735 5,738 5,740 11,741 7,756 1,757 1,760 21,761 6,762 2,763 7,769 5,775 0.75,776 2,785 1,788 1,793 2,794 2,797 1,819 3,823 2,827 25,828 1,833 4,835 2,837 1,850 4.3,855 2,858 12.5,859 8.883,860 5.611,861 2.78,863 3.109,864 1.417,865 0.993,866 4.318,867 10.556,868 3.611,869 4.259,870 4.955,871 5.626,872 6.204,873 6.643,874 7.117,875 7.579,876 7.885,877 8.173,878 0.833,879 42,880 9.211,881 3.916,882 7.62,883 17.805,884 14.803,885 2.12,886 53,889 1,890 223.651,891 91.997,892 84.908,894 22,897 91.997,898 245.651,899 84.908,900 21.766,901 10.138,902 61.326,903 63.72,904 51.397,905 2.328,906 211.88,908 223.651,909 176.905,910 22,913 176.567,914 69.084,917 25.005,918 101.665,919 50.234,921 223.651,922 106.908,923 91.997,926 223.651,927 33.183,928 60.59,930 105.131,931 223.651,932 106.908,933 91.997,935 0.577,936 0.365,937 0.212,938 0.11,939 21,940 9,941 0.082,942 4,943 1,944 1.1,945 3.594,946 222.562,947 0.1,948 20,949 110.096,954 16.308,955 6.619,956 2.754,957 1.589,958 105.131,959 7.234,960 13.501,964 3.454,965 2.02,966 32.897,967 422.555,968 36,980 46.232,981 52.232,983 0.288,984 0.648,985 0.779,986 0.837,987 0.845,988 0.852,989 4.86,990 1.343,991 5.802,992 3.982,993 4.394,994 4.945,995 1.376,996 6.681,997 4.297,998 6.078,999 1.057,1000 7.399,1001 3.529,1002 4.007,1003 4.856,1005 7.722,1006 3.871,1007 7.409,1008 0.714,1009 9.101,1010 2.579,1011 6.043,1012 7.247,1013 1.159,1014 10.879,1015 5.866,1016 8.786,1017 0.618,1018 10.865,1019 1.754,1020 6.538,1021 8.053,1023 12.775,1024 6.321,1025 10.2,1026 0.618,1027 12.669,1028 1.372,1029 8.011,1030 9.907,1031 0.963,1032 15.457,1033 7.76,1034 11.641,1035 0.334,1036 14.5,1037 1.165,1038 8.893,1039 11.116,1041 17.695,1042 8.601,1043 13.102,1044 -0.278,1045 16.351,1046 0.445,1047 10.167,1048 12.771,1049 0.787,1050 20.233,1051 9.842,1052 3.348,1053 -0.449,1054 18.217,1055 -0.63,1056 11.219,1057 14.165,1059 22.615,1060 10.855,1061 2.899,1062 12.147,1063 20.094,1064 -0.866,1065 12.425,1066 15.746,1067 0.634,1068 25.112,1069 12.027,1070 2.669,1071 9.452,1072 21.982,1073 4.733,1074 13.552,1075 17.224,1077 27.556,1078 13.116,1079 2.36,1080 8.883,1081 23.877,1082 3.916,1083 14.74,1084 18.779,1085 0.504,1086 30.044,1087 14.27,1088 1.995,1089 7.603,1090 25.78,1091 3.247,1092 15.902,1093 20.295,1095 32.515,1096 15.395,1097 1.614,1098 5.69,1099 27.688,1100 3.113,1101 17.089,1102 21.843,1103 0.395,1104 35.004,1105 16.547,1106 1.524,1107 4.324,1108 29.601,1109 2.365,1110 18.268,1111 23.377,1113 37.488,1114 17.69,1115 6183,1116 9883,1117 18.898,1118 30.029,1119 41.921,1120 42.75,1121 44.069,1122 42.175,1123 42.186,1124 54.679,1125 3.44,1126 125.847,1127 39.979,1128 5.666,1129 5.395,1130 6.646,1131 5.386,1132 5.348,1133 7.733,1134 1.72,1135 19.686,1136 5.226,1137 10.948,1138 1.497,1139 1.527,1140 1.574,1141 1.506,1142 1.507,1143 1.953,1144 0.123,1145 4.495,1146 1.428,1147 4.146,1148 4.193,1149 4.125,1150 4.005,1151 5.257,1152 4.027,1153 3.873,1154 3.9,1155 3.819,1156 3.768,1157 4.943,1158 3.773,1159 3.78,1160 3.83,1161 3.663,1162 3.653,1163 4.834,1164 3.652,1165 3.323,1166 3.398,1167 3.248,1168 3.061,1169 4.517,1170 3.096,1171 3.247,1172 3.314,1173 3.06,1174 2.953,1175 4.494,1176 2.962,1177 3.201,1178 3.283,1179 3.049,1180 2.917,1181 4.273,1182 2.939,1183 2.996,1184 3.098,1185 2.865,1186 2.764,1187 4.129,1188 2.772,1189 2.869,1190 2.979,1191 2.626,1192 2.671,1193 3.694,1194 2.635,1195 0.17,1196 0.121,1197 0.252,1198 0.154,1199 0.12,1200 4.764,1201 0.169,1202 3.395,1203 0.031,1204 7.051,1205 0.434,1206 4.311,1207 0.115,1208 3.348,1209 4.733,1210 0.86,1211 12.147,1212 3.226,1213 1.926,1214 1.909,1215 1.993,1216 2.037,1217 1.243,1218 2.019,1219 1.788,1220 1.745,1221 1.89,1222 1.979,1223 1.211,1224 1.954,1225 1.588,1226 1.533,1227 1.86,1228 1.789,1229 1.125,1230 1.793,1231 1.577,1232 1.507,1233 1.751,1234 1.751,1235 0.847,1236 1.781,1237 1.235,1238 1.178,1239 1.576,1240 1.524,1241 0.575,1242 1.54,1243 1.191,1244 1.115,1245 1.564,1246 1.515,1247 0.573,1248 1.53,1249 1.06,1250 0.977,1251 1.239,1252 1.35,1253 0.274,1254 1.334,1255 0.86,1256 0.771,1257 1.142,1258 1.189,1259 0.15,1260 1.18,1261 4.043,1263 5.38,1264 3.045,1265 6.925,1266 5.352,1267 8.567,1268 7.455,1269 10.263,1271 3.238,1275 6.173,1277 4.675,1279 10.75,1281 0.366,1289 28.751,1290 73.177,1291 164.726,1292 197.819,1293 212.574,1294 214.574,1295 216.574,1296 34.38,1297 7.447,1298 88.08,1299 88.08,1300 22,1301 12.74,1302 4.087,1303 3.17,1304 35.612,1305 77,1306 86,1307 0.229,1308 175.331,1309 291.92,1310 419.568,1311 15114,1313 17.389,1314 0.696,1315 0.576,1316 17.389,1317 14.398,1318 12.224,1319 0.437,1320 0.301,1321 8.275,1322 11.603,1323 8.069,1324 6.711,1325 12.224,1326 8.437,1327 10.667,1328 0.267,1329 0.156,1330 10.667,1331 6.259,1332 9.777,1333 0.169,1334 0.084,1335 9.777,1336 4.846,1337 8.591,1338 0.106,1339 0.044,1340 8.591,1341 3.584,1342 6.664,1343 0.065,1344 0.021,1345 6.664,1346 2.113,1347 0.344,1348 77.717,1349 0.23,1350 23.58,1351 0.677,1352 136,1353 395.364,1354 151.193,1355 376.571,1356 528.97,1357 356,1358 166,1359 405.384,1360 183.053,1361 409.389,1362 604.38,1363 383,1364 5.824}
{0 CHEMBL1240554,1 1.567,2 9.385,3 3.418,4 11.682,5 101.484,6 7.214,7 0.552,8 4.005,9 4.132,10 3.555,11 3.487,12 5.074,13 3.479,14 4.562,15 4.746,16 3.914,17 3.88,18 5.556,19 3.854,20 4.766,21 4.987,22 3.987,23 3.975,24 5.733,25 3.932,26 4.756,27 4.972,28 4.026,29 4.003,30 5.797,31 3.967,32 4.798,33 5.001,34 3.95,35 4.061,36 5.791,37 3.997,38 4.815,39 5.029,40 3.883,41 4.049,42 5.787,43 3.956,44 4.849,45 5.107,46 3.759,47 3.957,48 5.776,49 3.835,50 4.756,51 5.038,52 3.505,53 3.754,54 5.623,55 3.614,56 0.053,57 0.754,58 10.765,59 4.304,60 10.087,61 5.876,62 0.258,63 1.183,64 20.779,65 7.209,66 24.877,67 10.072,68 0.395,69 1.373,70 26.62,71 8.153,72 32.429,73 12.201,74 0.383,75 1.427,76 25.925,77 7.944,78 37.154,79 11.774,80 0.384,81 1.46,82 26.796,83 8.423,84 37.537,85 12.39,86 0.341,87 1.447,88 27.233,89 9.178,90 35.689,91 13.552,92 0.451,93 1.374,94 29.6,95 9.357,96 44.85,97 14.376,98 0.473,99 1.138,100 28.17,101 8.417,102 45.762,103 12.909,104 15,105 41,106 0.265,107 0.611,108 0.784,109 0.835,110 0.835,111 0.835,112 3.305,113 0.934,114 -4.85,115 -4.76,116 -4.47,118 38.8,119 1,120 4,123 1,124 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 10,172 1,173 1,175 1,178 6,180 1,181 2,182 11,188 3,191 2,192 11,194 3,195 3,197 1,199 4,201 1,203 1,204 9,208 2,211 6,213 2,214 2,215 5,220 3,223 7,225 3,227 3,228 2,230 1,231 1,233 2,235 6,237 2,239 2,240 3,242 1,243 1,247 3,252 5,264 996,265 18.085,266 18.085,267 18.085,268 18.085,269 18.085,270 16.254,271 17.798,272 10.689,273 18.712,274 14.234,275 14.234,276 14.234,277 14.234,278 14.234,279 11.316,280 16.603,281 4.876,282 15.075,283 4.048,284 2.005,285 0.985,286 0.684,287 0.684,288 0.684,289 4.002,292 1,293 1,294 1,295 531,296 2.739,299 110.683,300 140.581,303 99.323,307 1.385,308 21.743,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 56.5,320 244,321 4.764,322 3.395,323 7.051,324 4.311,325 3.348,326 4.733,327 0.86,328 12.147,329 3.226,330 4.265,331 3.194,332 6.287,333 3.855,334 2.904,335 3.918,336 0.86,337 9.466,338 2.761,339 3.885,340 2.791,341 6.13,342 3.632,343 2.67,344 3.248,346 8.911,347 2.563,348 3.711,349 2.464,350 5.747,351 3.317,352 2.364,353 3.115,355 7.617,356 2.244,357 3.239,358 2.246,359 5.079,360 2.949,361 1.995,362 2.365,364 5.69,365 1.899,366 3.013,367 2.038,368 4.531,369 2.567,370 1.669,371 2.25,373 4.441,374 1.493,375 2.933,376 1.591,377 4.349,378 2.464,379 1.526,380 2.069,382 4.007,383 1.427,384 2.64,385 1.424,386 4.234,387 2.307,388 1.344,389 1.686,391 3.529,392 1.291,393 2.469,394 1.364,395 3.666,396 2.061,397 1.132,398 1.461,400 2.595,401 1.044,402 2.184,403 1.038,404 3.26,405 1.907,406 0.965,407 1.147,409 1.927,410 0.904,411 1.854,412 0.939,413 3.228,414 1.654,415 0.678,416 0.779,417 1.701,418 0.66,419 1.661,420 0.703,421 3,422 1.618,423 0.618,424 0.618,425 1.372,426 0.618,427 1.618,428 0.618,429 2.762,430 1.383,431 0.502,432 0.568,433 0.781,434 0.437,435 1.111,436 0.227,437 2.681,438 0.815,439 -0.108,440 -0.123,441 -0.183,442 -0.098,443 1.046,444 -0.159,445 2.461,446 0.611,447 -0.3,448 -0.381,449 -0.689,450 -0.273,451 12.167,452 0.468,453 0.534,454 0.021,455 33,456 1.269,457 15.5,458 0.596,459 17.5,460 0.673,461 22.527,462 0.866,463 28.633,464 0.584,465 23.616,466 0.908,467 6.119,468 0.235,469 6.605,470 0.254,471 0.115,473 0.362,478 0.879,479 1.362,480 0.804,481 1.188,482 0.954,483 1.012,484 1.123,485 1.09,486 0.841,487 0.969,488 0.791,489 0.885,490 1.047,491 1.157,492 0.838,493 0.929,494 0.782,495 0.861,496 1.032,497 0.996,498 0.893,499 0.894,500 0.962,501 0.865,502 1.26,503 1.114,504 1.179,505 1.044,506 1.18,507 1.082,508 0.918,509 1.225,510 1.147,511 1.231,512 1.168,513 1.224,514 0.683,515 1.067,516 1.009,517 1.122,518 1.077,519 1.113,520 0.912,521 0.883,522 0.99,523 0.978,524 0.954,525 0.993,526 4,527 0.061,528 3.111,529 1.944,530 1.807,531 1.004,532 0.591,533 0.471,534 0.241,535 0.157,536 7215,537 17150,538 2.124,539 46.9,540 4,541 9,543 1,544 2,546 7,549 1.698,550 2,551 3.196,552 0.289,554 1,558 76.759,559 1.567,560 3.61,561 4.63,562 4.931,563 4.931,564 4.931,565 2.676,566 4.393,567 4.668,568 3.322,569 1079.71,570 8.129,571 12925.1,573 1,575 1,576 275.121,577 1.37,578 4.637,579 0.138,580 0.006,581 0.076,582 0.045,583 0.04,584 0.024,585 0.016,586 0.015,587 0.01,588 0.009,589 0.38,590 0.17,591 1,592 1.006,593 124.396,594 0.006,595 -0.114,596 0.074,597 -0.076,598 -0.033,599 -0.002,600 -0.015,601 0.013,602 0.111,603 0.066,604 0.122,605 0.095,606 0.046,607 -0.12,608 0.141,609 0.056,610 0.156,611 0.105,613 0.115,614 0.075,615 0.071,616 0.073,617 0.081,618 -0.21,619 -0.004,620 -0.227,621 -0.05,622 -0.193,623 -0.125,624 -0.037,625 -0.155,626 -0.21,627 -0.215,628 -0.154,629 -0.237,630 0.159,631 -0.089,632 -0.042,633 -0.148,634 -0.014,635 -0.128,636 0.097,637 0.006,638 0.02,639 -0.032,640 0.085,641 -0.017,642 1.22,643 2.194,644 0.769,645 21.793,646 1.002,647 1.136,648 3.618,649 13.091,650 0.649,651 3.401,652 3.738,653 4.094,654 4.431,655 4.663,656 4.844,657 5.024,658 5.187,659 5.252,660 5.257,661 5.552,662 0.618,663 353.47,664 3.401,665 4.949,666 5.832,667 6.737,668 7.644,669 8.561,670 9.479,671 10.401,672 11.324,673 12.25,674 10.2,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 49,718 16,719 1,720 29,722 52,723 19,724 11,725 3,726 3,728 4,729 5,732 1,735 5,738 5,740 11,741 8,756 1,757 1,760 23,761 6,762 2,763 7,769 5,775 0.75,776 2,785 1,788 1,793 2,794 2,797 1,819 3,823 2,827 26,828 1,833 5,835 2,837 1,850 4.1,855 2,858 13,859 9.383,860 5.861,861 3.197,863 3.116,864 1.414,865 0.987,866 4.789,867 10.641,868 3.638,869 4.273,870 4.962,871 5.636,872 6.216,873 6.653,874 7.131,875 7.597,876 7.905,877 8.209,878 1,879 43,880 9.598,881 4.066,882 7.596,883 18.622,884 15.439,885 2.096,886 54.5,888 1,889 1,890 247.193,891 94.531,892 84.908,894 22,897 94.531,898 269.193,899 84.908,900 19.708,901 14.731,902 61.326,903 63.72,904 51.397,905 2.328,906 235.422,908 247.193,909 179.439,910 22,913 164.795,914 104.397,917 38.423,918 90.782,919 50.234,921 247.193,922 106.908,923 94.531,926 247.193,927 37.776,928 58.532,930 105.131,931 247.193,932 106.908,933 94.531,935 0.572,936 0.356,937 0.211,938 0.114,939 21,940 9,941 0.096,942 5,943 1,944 1.1,945 3.691,946 232.941,947 0.1,948 20,949 118.211,954 17.255,955 7.216,956 3.074,957 1.595,958 105.131,959 7.31,960 13.547,964 3.521,965 2.026,966 32.897,967 448.632,968 37,980 49.116,981 55.647,983 0.279,984 0.643,985 0.825,986 0.878,987 0.878,988 0.878,989 4.883,990 1.344,991 5.82,992 4.007,993 4.419,994 4.959,995 1.376,996 6.693,997 4.319,998 6.094,999 1.132,1000 7.412,1001 3.529,1002 4.007,1003 4.856,1005 7.722,1006 3.871,1007 7.421,1008 0.965,1009 9.109,1010 2.595,1011 6.057,1012 7.251,1013 1.159,1014 10.886,1015 5.875,1016 8.794,1017 0.678,1018 10.871,1019 1.927,1020 6.538,1021 8.053,1023 12.778,1024 6.321,1025 10.205,1026 0.618,1027 12.673,1028 1.701,1029 8.02,1030 9.909,1031 0.963,1032 15.462,1033 7.765,1034 11.645,1035 0.502,1036 14.503,1037 1.372,1038 8.895,1039 11.116,1041 17.698,1042 8.602,1043 13.105,1044 -0.108,1045 16.354,1046 0.781,1047 10.172,1048 12.772,1049 0.787,1050 20.237,1051 9.845,1052 3.348,1053 -0.3,1054 18.219,1055 -0.183,1056 11.221,1057 14.166,1059 22.618,1060 10.856,1061 2.904,1062 12.147,1063 20.097,1064 -0.689,1065 12.429,1066 15.747,1067 0.634,1068 25.114,1069 12.029,1070 2.67,1071 9.466,1072 21.984,1073 4.733,1074 13.555,1075 17.224,1077 27.558,1078 13.118,1079 2.364,1080 8.911,1081 23.879,1082 3.918,1083 14.744,1084 18.78,1085 0.504,1086 30.046,1087 14.272,1088 1.995,1089 7.617,1090 25.781,1091 3.248,1092 15.905,1093 20.295,1095 32.517,1096 15.396,1097 1.669,1098 5.69,1099 27.69,1100 3.115,1101 17.092,1102 21.844,1103 0.395,1104 35.005,1105 16.548,1106 1.526,1107 4.441,1108 29.603,1109 2.365,1110 18.271,1111 23.378,1113 37.489,1114 17.691,1115 6963,1116 10888,1117 19.592,1118 31.79,1119 43.299,1120 43.975,1121 45.26,1122 43.486,1123 43.43,1124 55.912,1125 3.44,1126 128.366,1127 41.133,1128 5.666,1129 5.395,1130 6.817,1131 5.386,1132 5.348,1133 7.733,1134 1.72,1135 19.686,1136 5.226,1137 11.328,1138 1.493,1139 1.516,1140 1.561,1141 1.5,1142 1.498,1143 1.928,1144 0.119,1145 4.426,1146 1.418,1147 4.146,1148 4.193,1149 4.125,1150 4.005,1151 5.257,1152 4.028,1153 3.876,1154 3.902,1155 3.822,1156 3.769,1157 4.936,1158 3.775,1159 3.781,1160 3.832,1161 3.663,1162 3.654,1163 4.831,1164 3.653,1165 3.465,1166 3.536,1167 3.3,1168 3.26,1169 4.514,1170 3.252,1171 3.298,1172 3.379,1173 3.195,1174 3.024,1175 4.478,1176 3.058,1177 3.222,1178 3.3,1179 3.058,1180 2.944,1181 4.274,1182 2.959,1183 3.016,1184 3.11,1185 2.906,1186 2.804,1187 4.131,1188 2.817,1189 2.869,1190 2.979,1191 2.69,1192 2.671,1193 3.734,1194 2.635,1195 0.164,1196 0.117,1197 0.243,1198 0.149,1199 0.115,1200 4.764,1201 0.163,1202 3.395,1203 0.03,1204 7.051,1205 0.419,1206 4.311,1207 0.111,1208 3.348,1209 4.733,1210 0.86,1211 12.147,1212 3.226,1213 1.927,1214 1.91,1215 1.995,1216 2.037,1217 1.243,1218 2.02,1219 1.789,1220 1.746,1221 1.891,1222 1.981,1223 1.211,1224 1.956,1225 1.592,1226 1.535,1227 1.86,1228 1.796,1229 1.128,1230 1.793,1231 1.577,1232 1.507,1233 1.796,1234 1.751,1235 0.938,1236 1.79,1237 1.454,1238 1.381,1239 1.738,1240 1.688,1241 0.836,1242 1.717,1243 1.212,1244 1.146,1245 1.57,1246 1.517,1247 0.574,1248 1.534,1249 1.098,1250 1.031,1251 1.246,1252 1.364,1253 0.285,1254 1.344,1255 0.872,1256 0.783,1257 1.151,1258 1.21,1259 0.15,1260 1.198,1261 4.078,1263 5.407,1264 3.045,1265 6.944,1266 5.352,1267 8.582,1268 7.455,1269 10.275,1271 3.58,1275 6.194,1277 5.257,1279 11.103,1281 0.366,1289 30.278,1290 76.759,1291 176.879,1292 226.856,1293 241.611,1294 241.611,1295 241.611,1296 36.954,1297 7.525,1298 88.08,1299 88.08,1300 22,1301 12.755,1302 4.087,1303 3.17,1304 37.759,1305 84,1306 104,1307 0.221,1308 184.924,1309 309.22,1310 442.973,1311 16746,1313 18.096,1314 0.696,1315 0.581,1316 18.096,1317 15.105,1318 12.724,1319 0.439,1320 0.311,1321 8.871,1322 12.108,1323 8.665,1324 7.192,1325 12.724,1326 9.025,1327 11.048,1328 0.269,1329 0.158,1330 11.048,1331 6.488,1332 9.912,1333 0.168,1334 0.083,1335 9.912,1336 4.926,1337 8.805,1338 0.106,1339 0.044,1340 8.805,1341 3.691,1342 6.933,1343 0.066,1344 0.021,1345 6.933,1346 2.201,1347 0.335,1348 80.509,1349 0.226,1350 24.5,1351 0.647,1352 140,1353 399.364,1354 155.858,1355 380.179,1356 536.45,1357 360,1358 170,1359 414.293,1360 187.386,1361 414.885,1362 615.57,1363 391,1364 6.341}
{0 CHEMBL1240565,1 1.541,2 7.2,3 0.902,4 0.814,5 76.279,6 8.558,7 0.87,8 3.613,9 3.749,10 3.308,11 3.12,12 4.835,13 3.152,14 4.079,15 4.252,16 3.693,17 3.519,18 5.265,19 3.54,20 4.187,21 4.363,22 3.691,23 3.568,24 5.366,25 3.571,26 4.235,27 4.443,28 3.601,29 3.534,30 5.413,31 3.509,32 4.15,33 4.37,34 3.389,35 3.406,36 5.228,37 3.355,38 4.082,39 4.321,40 3.281,41 3.267,42 5.243,43 3.221,44 3.991,45 4.278,46 3.045,47 3.082,48 4.944,49 3.01,50 3.586,51 3.823,52 2.688,53 2.74,54 4.7,55 2.661,56 0.091,57 0.577,58 4.898,59 2.023,60 7.801,61 2.442,62 0.224,63 0.882,64 9.307,65 3.385,66 15.025,67 4.278,68 0.177,69 0.95,70 10.206,71 3.818,72 15.275,73 4.902,74 0.317,75 0.937,76 11.968,77 4.098,78 25.613,79 5.337,80 0.204,81 0.818,82 11.571,83 4.043,84 15.347,85 5.486,86 0.289,87 0.745,88 11.464,89 3.443,90 30.072,91 4.69,92 0.231,93 0.612,94 12.874,95 3.693,96 20.376,97 5.546,98 0.165,99 0.435,100 6.779,101 2.244,102 12.722,103 3.077,104 5,105 34,106 0.282,107 0.719,108 0.856,109 0.868,110 0.868,111 0.868,112 3.06,113 0.796,114 -3.56,115 -3.54,116 -3.37,118 41.9,123 1,138 2,139 3,141 1,142 1,143 1,144 1,147 1,156 2,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 2,175 3,178 3,180 1,181 1,182 4,186 1,188 2,191 3,192 5,194 3,195 3,197 2,199 1,201 1,203 1,204 4,208 1,211 1,213 1,214 2,215 3,217 1,218 2,220 2,225 1,228 2,231 1,233 1,237 1,243 2,244 1,246 1,264 442,265 13.723,266 13.723,267 13.723,268 13.723,269 13.723,270 11.402,271 6.325,272 7.872,273 14.078,274 11.354,275 11.354,276 11.354,277 11.354,278 11.354,279 7.876,280 5,281 3.711,282 11.932,283 3.413,284 1.028,285 0.282,286 0.218,287 0.218,288 0.218,289 3.758,293 1,294 1,295 324,296 2,299 71.894,300 83.16,303 129.521,307 1.02,308 15.395,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 43.5,320 144,321 4.741,322 3.329,323 6.987,324 4.272,325 3.305,326 4.724,328 11.875,329 3.196,330 4.41,331 2.924,332 6.221,333 3.886,334 2.92,335 4.351,337 9.32,338 2.821,339 3.794,340 2.419,341 5.876,342 3.369,343 2.405,344 3.278,346 7.995,347 2.316,348 3.648,349 2.372,350 5.501,351 3.194,352 2.26,353 3.086,355 6.774,356 2.107,357 3.051,358 1.554,359 4.519,360 2.488,361 1.552,362 2.327,364 4.386,365 1.451,366 3.033,367 1.533,368 4.335,369 2.48,370 1.533,371 2.3,373 4.058,374 1.445,375 2.712,376 1.407,377 4.324,378 2.246,379 1.302,380 1.801,382 3.66,383 1.225,384 2.624,385 1.154,386 3.643,387 2.089,388 1.149,389 1.68,391 2.624,392 1.077,393 2.411,394 0.959,395 3.428,396 1.886,397 0.943,398 1.371,400 2.263,401 0.887,402 1.892,403 0.404,404 3.036,405 1.343,406 0.4,407 0.595,409 0.991,410 0.377,411 1.094,412 -0.081,413 2.652,414 0.673,415 -0.241,416 -0.303,417 -0.567,418 -0.22,419 0.847,420 -0.48,421 2.44,422 0.38,423 -0.587,424 -0.764,425 -1.499,426 -0.565,427 0.73,428 -0.591,429 2.277,430 0.288,431 -0.628,432 -0.845,433 -1.644,434 -0.575,435 0.582,436 -0.893,437 2.217,438 0.065,439 -0.897,440 -1.327,441 -2.511,442 -0.86,443 0.303,444 -1.07,445 1.945,446 -0.142,447 -1.103,448 -1.585,449 -3.011,450 -1.057,451 9.3,452 0.465,453 0.521,454 0.026,455 31,456 1.55,457 16.5,458 0.825,459 14.5,460 0.725,461 11.41,462 0.57,463 20.1,464 0.648,465 20.007,466 1,467 6.149,468 0.307,469 3.588,470 0.179,471 0.097,473 0.419,478 1.007,479 1.312,480 0.679,481 0.934,482 1.103,483 0.777,484 0.913,485 0.927,486 0.674,487 0.712,488 0.689,489 0.656,490 1.057,491 1.356,492 0.9,493 1.132,494 0.927,495 1.012,496 0.964,497 0.87,498 1.074,499 0.994,500 1.014,501 1.045,502 1.021,503 1.208,504 1.113,505 1.236,506 0.857,507 1.202,508 1.134,509 0.89,510 1.193,511 1.012,512 1.537,513 1.095,514 0.922,515 0.891,516 0.848,517 0.834,518 0.842,519 0.827,520 0.933,521 1.016,522 1.322,523 1.336,524 1.014,525 1.396,526 3.5,528 2.667,529 1.861,530 1.352,531 0.469,532 0.363,533 0.273,534 0.096,535 0.007,536 3729,537 10499,538 2.195,539 35.5,541 5,542 1,543 2,544 3,549 1.622,550 2.069,551 2.87,552 1.201,554 1,556 1,558 47.769,559 1.541,560 3.926,561 4.672,562 4.736,563 4.736,564 4.736,565 2.228,566 4.222,567 4.299,568 2.97,569 564.211,570 7.361,571 5528.44,572 1,573 1,576 153.58,577 1.361,578 4.262,579 0.152,581 0.078,582 0.056,583 0.047,584 0.02,585 0.018,586 0.017,587 0.01,588 0.003,589 0.402,590 0.67,591 1,592 0.548,593 86.048,594 -0.115,595 -0.16,596 0.039,597 -0.01,598 -0.247,599 0.036,600 0.046,601 0.174,602 0.14,603 0.22,604 0.09,605 0.203,606 -0.148,607 -0.296,608 -0.074,609 -0.188,610 -0.056,611 -0.13,612 0.048,613 0.162,614 -0.171,615 -0.064,616 0.002,617 -0.144,618 -0.121,619 -0.251,620 -0.166,621 -0.253,622 0.014,623 -0.225,624 -0.061,625 0.077,626 -0.198,627 -0.083,628 -0.261,629 -0.153,630 0.045,631 -0.072,632 0.308,633 0.194,634 0.119,635 0.284,636 0.086,637 -0.075,638 -0.322,639 -0.389,640 0.037,641 -0.431,642 1.243,643 1.969,644 0.9,645 11.81,646 1.015,647 1.139,648 2.334,649 5.449,650 0.696,651 3.178,652 3.555,653 3.912,654 4.248,655 4.454,656 4.543,657 4.691,658 4.852,659 4.852,660 4.852,661 4.473,662 0.684,663 265.31,664 3.178,665 4.745,666 5.638,667 6.553,668 7.462,669 8.38,670 9.295,671 10.214,672 11.131,673 12.051,674 22.6,678 1,682 2,684 4,689 4,690 5,691 4,692 1,695 3,696 1,697 20,708 1,716 31,718 20,720 23,722 34,723 13,724 12,728 4,729 6,740 12,741 1,756 1,757 1,760 11,761 5,762 3,763 7,769 7,775 0.5,785 1,787 1,788 1,789 1,793 2,794 2,797 2,819 2,823 1,827 20,828 1,858 9.667,859 6,860 4.25,861 1.676,863 4.064,864 1.565,865 1.09,866 2.286,867 11.257,868 3.526,869 4.27,870 5.007,871 5.712,872 6.259,873 6.689,874 7.201,875 7.727,876 8.026,877 8.429,878 0.8,879 33,880 7.303,881 3.175,882 7.708,883 13.814,884 11.485,885 2.208,886 44.167,887 0.001,890 94.169,891 70.909,892 118.479,897 70.909,898 94.169,899 118.479,900 8.396,902 60.897,903 93.992,904 47.316,905 14.099,906 58.856,908 94.169,909 189.388,913 94.169,917 42.415,918 79.953,919 67.02,921 94.169,922 118.479,923 70.909,926 94.169,927 16.847,928 55.839,929 16.786,930 99.917,931 94.169,932 118.479,933 70.909,935 0.595,936 0.367,937 0.211,938 0.11,939 20,940 8,941 0.029,942 1,943 2,944 1.222,945 3.23,946 165.766,947 0.222,948 18,949 86.439,954 11.379,955 4.018,956 1.622,957 3.336,958 99.917,959 9.059,960 17.142,961 3.066,964 2.063,965 1.698,966 49.683,967 283.557,968 33,980 31.48,981 35.319,983 0.311,984 0.792,985 0.943,986 0.956,987 0.956,988 0.956,989 4.762,990 1.149,991 5.645,992 3.66,993 4.234,994 4.956,996 6.526,997 4.143,998 6.025,999 0.943,1000 7.245,1001 2.624,1002 3.892,1003 4.913,1005 7.548,1006 3.781,1007 7.372,1008 0.4,1009 8.946,1010 2.263,1011 5.889,1012 7.353,1014 10.706,1015 5.727,1016 8.764,1017 -0.241,1018 10.708,1019 0.991,1020 6.399,1021 8.187,1023 12.587,1024 6.218,1025 10.189,1026 -0.587,1027 12.508,1028 -0.567,1029 7.866,1030 10.068,1032 15.263,1033 7.643,1034 11.64,1035 -0.628,1036 14.335,1037 -1.499,1038 8.753,1039 11.297,1041 17.489,1042 8.507,1043 13.11,1044 -0.897,1045 16.182,1046 -1.644,1047 10.025,1048 12.962,1050 20.015,1051 9.741,1052 3.305,1053 -1.103,1054 18.045,1055 -2.511,1056 11.076,1057 14.364,1059 22.384,1060 10.765,1061 2.92,1062 11.875,1063 19.919,1064 -3.011,1065 12.279,1066 15.945,1068 24.864,1069 11.934,1070 2.405,1071 9.32,1072 21.803,1073 4.724,1074 13.402,1075 17.423,1077 27.291,1078 13.026,1079 2.26,1080 7.995,1081 23.695,1082 4.351,1083 14.584,1084 18.973,1086 29.76,1087 14.175,1088 1.552,1089 6.774,1090 25.593,1091 3.278,1092 15.739,1093 20.483,1095 32.212,1096 15.297,1097 1.533,1098 4.386,1099 27.498,1100 3.086,1101 16.917,1102 22.023,1104 34.681,1105 16.442,1106 1.302,1107 4.058,1108 29.407,1109 2.327,1110 18.087,1111 23.548,1113 37.144,1114 17.579,1115 3492,1116 5974,1117 15.72,1118 21.563,1119 35.938,1120 35.416,1121 36.61,1122 35.548,1123 35.541,1124 51.024,1126 107.89,1127 33.806,1128 5.41,1129 5.329,1130 6.515,1131 5.345,1132 5.305,1133 7.724,1135 19.209,1136 5.171,1137 7.321,1138 1.563,1139 1.54,1140 1.592,1141 1.546,1142 1.545,1143 2.218,1145 4.691,1146 1.47,1147 4.159,1148 4.204,1149 4.136,1150 4.032,1151 5.263,1152 4.051,1153 4.007,1154 4.06,1155 3.977,1156 3.844,1157 5.058,1158 3.873,1159 3.424,1160 3.505,1161 3.36,1162 3.257,1163 4.857,1164 3.27,1165 3.347,1166 3.424,1167 3.241,1168 3.08,1169 4.519,1170 3.108,1171 2.977,1172 3.084,1173 2.874,1174 2.746,1175 4.3,1176 2.764,1177 2.888,1178 2.993,1179 2.75,1180 2.62,1181 3.906,1182 2.643,1183 2.822,1184 2.911,1185 2.62,1186 2.553,1187 3.682,1188 2.563,1189 2.381,1190 2.457,1191 2.257,1192 2.254,1193 3.597,1194 2.244,1195 0.206,1196 0.145,1197 0.304,1198 0.186,1199 0.144,1200 4.741,1201 0.205,1202 3.329,1204 6.987,1205 0.516,1206 4.272,1207 0.139,1208 3.305,1209 4.724,1211 11.875,1212 3.196,1213 1.923,1214 1.898,1215 1.976,1216 2.04,1217 1.112,1218 2.02,1219 1.769,1220 1.724,1221 1.841,1222 1.972,1223 0.914,1224 1.938,1225 1.465,1226 1.397,1227 1.644,1228 1.73,1229 0.682,1230 1.703,1231 1.421,1232 1.337,1233 1.631,1234 1.674,1235 0.604,1236 1.67,1237 1.088,1238 1.025,1239 1.248,1240 1.268,1241 0.312,1242 1.273,1243 0.851,1244 0.75,1245 1.168,1246 1.241,1247 0.017,1248 1.232,1249 0.707,1250 0.615,1251 0.953,1252 0.966,1254 0.967,1255 0.58,1256 0.487,1257 0.85,1258 0.877,1260 0.88,1261 3.85,1263 5.209,1264 3.045,1265 6.767,1266 5.416,1267 8.418,1268 7.535,1269 10.118,1271 1.834,1275 5.969,1289 21.203,1290 47.769,1291 121.706,1292 144.825,1293 146.825,1294 146.825,1295 146.825,1296 20.451,1297 7.193,1298 98.3,1299 98.3,1300 22,1301 12.56,1302 4.392,1303 3.459,1304 26.049,1305 53,1306 46,1307 0.247,1308 130.038,1309 196.3,1310 309.053,1311 11666,1313 13.69,1314 0.684,1315 0.535,1316 13.69,1317 10.7,1318 9.737,1319 0.423,1320 0.265,1321 5.986,1322 9.27,1323 5.854,1324 4.859,1325 9.737,1326 6.105,1327 9.05,1328 0.266,1329 0.134,1330 9.05,1331 4.569,1332 8.153,1333 0.166,1334 0.068,1335 8.153,1336 3.323,1337 7.281,1338 0.106,1339 0.035,1340 7.281,1341 2.381,1342 5.802,1343 0.068,1344 0.018,1345 5.802,1346 1.511,1347 0.368,1348 61.596,1349 0.252,1350 19.327,1351 0.74,1352 114,1353 329.871,1354 126.267,1355 327.606,1356 466.63,1357 308,1358 140,1359 369.025,1360 153.794,1361 374.659,1362 551.88,1363 352,1364 5.538}
{0 CHEMBL1240566,1 1.505,2 7.2,3 1.993,4 3.973,5 78.483,6 8.26,7 0.87,8 3.63,9 3.764,10 3.299,11 3.169,12 4.822,13 3.183,14 4.099,15 4.268,16 3.684,17 3.573,18 5.248,19 3.576,20 4.232,21 4.411,22 3.681,23 3.644,24 5.356,25 3.621,26 4.289,27 4.495,28 3.603,29 3.604,30 5.42,31 3.554,32 4.219,33 4.454,34 3.385,35 3.46,36 5.251,37 3.393,38 4.122,39 4.358,40 3.269,41 3.33,42 5.209,43 3.27,44 4.054,45 4.336,46 3.062,47 3.174,48 5.002,49 3.072,50 3.726,51 3.999,52 2.66,53 2.816,54 4.732,55 2.722,56 0.071,57 0.57,58 5.457,59 2.254,60 7.661,61 2.804,62 0.17,63 0.883,64 9.976,65 3.803,66 13.032,67 4.913,68 0.14,69 0.97,70 11.632,71 4.486,72 14.029,73 5.888,74 0.243,75 0.987,76 13.241,77 4.891,78 22.586,79 6.559,80 0.198,81 0.867,82 13.616,83 4.539,84 18.288,85 6.292,86 0.211,87 0.79,88 12.291,89 3.718,90 24.411,91 5.108,92 0.218,93 0.675,94 13.413,95 4.352,96 20.861,97 6.386,98 0.148,99 0.488,100 9.23,101 2.606,102 14.435,103 3.76,104 5,105 34,106 0.274,107 0.7,108 0.826,109 0.872,110 0.872,111 0.872,112 3.06,113 0.815,114 -3.78,115 -3.74,116 -3.55,118 43.8,123 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 5,172 1,173 1,175 4,178 6,180 1,181 1,182 3,186 2,188 6,191 2,192 5,194 3,195 3,197 2,199 2,201 1,204 6,206 1,208 3,211 1,213 2,215 4,218 1,220 1,223 1,225 1,228 3,231 2,232 1,233 1,234 1,237 1,240 2,245 1,249 1,264 442,265 13.723,266 13.723,267 13.723,268 13.723,269 13.723,270 11.402,271 6.325,272 7.872,273 14.023,274 11.354,275 11.354,276 11.354,277 11.354,278 11.354,279 7.876,280 5,281 3.711,282 11.838,283 3.495,284 1.157,285 0.461,286 0.211,287 0.211,288 0.211,289 3.758,292 1,293 1,294 1,295 324,296 2,299 71.894,300 83.16,303 129.521,307 1.02,308 13.424,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 43,320 144,321 4.741,322 3.329,323 6.987,324 4.273,325 3.305,326 4.724,328 11.875,329 3.199,330 4.41,331 2.924,332 6.221,333 3.899,334 2.92,335 4.351,337 9.32,338 2.858,339 3.794,340 2.419,341 5.876,342 3.375,343 2.405,344 3.278,346 7.995,347 2.331,348 3.648,349 2.372,350 5.501,351 3.194,352 2.26,353 3.086,355 6.774,356 2.107,357 3.051,358 1.554,359 4.519,360 2.509,361 1.552,362 2.327,364 4.386,365 1.494,366 3.033,367 1.533,368 4.335,369 2.495,370 1.533,371 2.3,373 4.058,374 1.46,375 2.712,376 1.407,377 4.324,378 2.246,379 1.302,380 1.801,382 3.66,383 1.226,384 2.624,385 1.154,386 3.643,387 2.101,388 1.149,389 1.68,391 2.624,392 1.091,393 2.411,394 0.959,395 3.428,396 1.89,397 0.943,398 1.371,400 2.263,401 0.89,402 1.892,403 0.404,404 3.036,405 1.37,406 0.4,407 0.595,409 0.991,410 0.388,411 1.094,412 -0.081,413 2.652,414 0.674,415 -0.241,416 -0.303,417 -0.567,418 -0.22,419 0.847,420 -0.48,421 2.44,422 0.393,423 -0.587,424 -0.764,425 -1.499,426 -0.571,427 0.73,428 -0.591,429 2.277,430 0.288,431 -0.628,432 -0.845,433 -1.644,434 -0.577,435 0.582,436 -0.893,437 2.217,438 0.087,439 -0.897,440 -1.327,441 -2.511,442 -0.88,443 0.303,444 -1.07,445 1.945,446 -0.128,447 -1.103,448 -1.585,449 -3.011,450 -1.073,451 9.4,452 0.47,453 0.521,454 0.026,455 30.5,456 1.525,457 16.5,458 0.825,459 14,460 0.7,461 11.691,462 0.585,463 20,464 0.625,465 19.725,466 0.986,467 6.069,468 0.303,469 3.668,470 0.183,471 0.096,473 0.415,478 0.99,479 1.197,480 0.706,481 0.886,482 1.124,483 0.773,484 0.902,485 0.948,486 0.698,487 0.76,488 0.648,489 0.706,490 1.003,491 1.211,492 0.922,493 1.072,494 0.892,495 1,496 0.847,497 1.027,498 1.058,499 1.144,500 0.934,501 1.139,502 1.115,503 1.076,504 1.101,505 1.078,506 0.87,507 1.085,508 1.389,509 1.07,510 1.237,511 1.049,512 1.699,513 1.103,514 0.713,515 0.802,516 0.884,517 0.917,518 0.814,519 0.928,520 1.411,521 1.02,522 1.243,523 1.011,524 1.103,525 1.081,526 3.5,528 2.667,529 1.861,530 1.352,531 0.469,532 0.363,533 0.273,534 0.096,535 0.007,536 3729,537 9903,538 2.195,539 37.5,541 7,542 1,543 1,544 3,549 1.622,550 2.069,551 2.87,552 1.152,554 1,556 1,558 48.168,559 1.505,560 3.843,561 4.539,562 4.789,563 4.789,564 4.789,565 2.228,566 4.222,567 4.299,568 2.97,569 564.211,570 7.361,571 5528.44,572 1,573 1,575 1,576 160,577 1.361,578 4.262,579 0.152,581 0.078,582 0.056,583 0.047,584 0.02,585 0.018,586 0.017,587 0.01,588 0.003,589 0.402,590 0.67,591 1,592 0.548,593 86.048,594 -0.066,595 -0.056,596 0.042,597 0.033,598 -0.241,599 0.052,600 0.058,601 0.147,602 0.127,603 0.175,604 0.111,605 0.165,606 -0.102,607 -0.166,608 -0.074,609 -0.12,610 -0.041,611 -0.097,612 0.134,613 -0.01,614 -0.149,615 -0.201,616 0.058,617 -0.22,618 -0.136,619 -0.119,620 -0.122,621 -0.113,622 0.035,623 -0.115,624 -0.277,625 -0.081,626 -0.255,627 -0.129,628 -0.422,629 -0.176,630 0.241,631 0.054,632 0.22,633 0.1,634 0.161,635 0.145,636 -0.297,637 -0.112,638 -0.163,639 -0.061,640 -0.009,641 -0.083,642 1.218,643 1.988,644 0.9,645 11.81,646 1.008,647 1.132,648 2.545,649 6.477,650 0.697,651 3.178,652 3.555,653 3.912,654 4.248,655 4.454,656 4.543,657 4.691,658 4.852,659 4.852,660 4.852,661 4.473,662 0.678,663 264.32,664 3.178,665 4.745,666 5.638,667 6.553,668 7.462,669 8.38,670 9.295,671 10.214,672 11.131,673 12.051,674 18.8,678 1,682 2,684 3,689 4,690 6,691 3,692 1,695 3,696 1,697 20,708 1,716 32,718 20,719 1,720 23,722 35,723 14,724 13,725 3,726 3,728 4,729 6,740 13,741 1,756 1,757 1,760 12,761 4,762 3,763 6,769 6,775 0.5,785 1,788 1,789 1,793 2,794 2,797 2,819 2,823 1,827 20,828 1,858 9.667,859 6.133,860 4.25,861 1.754,863 4.064,864 1.565,865 1.093,866 2.317,867 11.257,868 3.526,869 4.27,870 5.007,871 5.712,872 6.259,873 6.689,874 7.201,875 7.727,876 8.026,877 8.429,878 0.8,879 33,880 7.314,881 3.177,882 7.658,883 13.944,884 11.677,885 2.158,886 43.167,887 0.001,890 105.94,891 81.243,892 101.693,897 81.243,898 105.94,899 101.693,900 8.396,902 79.85,903 63.72,904 38.269,905 16.243,906 82.398,908 105.94,909 182.936,913 105.94,917 31.653,918 101.05,919 50.234,921 105.94,922 101.693,923 81.243,926 105.94,927 17.276,928 65.744,929 16.786,930 83.131,931 105.94,932 101.693,933 81.243,935 0.595,936 0.367,937 0.211,938 0.11,939 20,940 8,941 0.029,942 1,943 2,944 1.222,945 3.23,946 165.766,947 0.222,948 18,949 86.439,954 11.438,955 4.051,956 1.639,957 3.759,958 83.131,959 11.558,960 12.839,961 3.202,964 2.244,965 1.724,966 49.683,967 288.876,968 33,980 32.262,981 36.235,983 0.301,984 0.769,985 0.908,986 0.958,987 0.958,988 0.958,989 4.762,990 1.149,991 5.645,992 3.66,993 4.234,994 4.956,996 6.526,997 4.158,998 6.025,999 0.943,1000 7.245,1001 2.624,1002 3.892,1003 4.913,1005 7.548,1006 3.793,1007 7.372,1008 0.4,1009 8.946,1010 2.263,1011 5.889,1012 7.353,1014 10.706,1015 5.753,1016 8.764,1017 -0.241,1018 10.708,1019 0.991,1020 6.399,1021 8.187,1023 12.587,1024 6.24,1025 10.189,1026 -0.587,1027 12.508,1028 -0.567,1029 7.866,1030 10.068,1032 15.263,1033 7.676,1034 11.64,1035 -0.628,1036 14.335,1037 -1.499,1038 8.753,1039 11.297,1041 17.489,1042 8.537,1043 13.11,1044 -0.897,1045 16.182,1046 -1.644,1047 10.025,1048 12.962,1050 20.015,1051 9.779,1052 3.305,1053 -1.103,1054 18.045,1055 -2.511,1056 11.076,1057 14.364,1059 22.384,1060 10.801,1061 2.92,1062 11.875,1063 19.919,1064 -3.011,1065 12.279,1066 15.945,1068 24.864,1069 11.974,1070 2.405,1071 9.32,1072 21.803,1073 4.724,1074 13.402,1075 17.423,1077 27.291,1078 13.065,1079 2.26,1080 7.995,1081 23.695,1082 4.351,1083 14.584,1084 18.973,1086 29.76,1087 14.216,1088 1.552,1089 6.774,1090 25.593,1091 3.278,1092 15.739,1093 20.483,1095 32.212,1096 15.338,1097 1.533,1098 4.386,1099 27.498,1100 3.086,1101 16.917,1102 22.023,1104 34.681,1105 16.484,1106 1.302,1107 4.058,1108 29.407,1109 2.327,1110 18.087,1111 23.548,1113 37.144,1114 17.62,1115 3492,1116 5801,1117 15.72,1118 22.318,1119 35.938,1120 35.416,1121 36.61,1122 35.573,1123 35.541,1124 51.024,1126 107.89,1127 34.09,1128 5.41,1129 5.329,1130 6.515,1131 5.345,1132 5.305,1133 7.724,1135 19.209,1136 5.199,1137 7.321,1138 1.563,1139 1.54,1140 1.592,1141 1.547,1142 1.545,1143 2.218,1145 4.691,1146 1.482,1147 4.169,1148 4.209,1149 4.142,1150 4.068,1151 5.26,1152 4.079,1153 4.015,1154 4.064,1155 3.983,1156 3.859,1157 4.983,1158 3.887,1159 3.429,1160 3.506,1161 3.362,1162 3.28,1163 4.852,1164 3.288,1165 3.355,1166 3.433,1167 3.247,1168 3.083,1169 4.517,1170 3.113,1171 3.018,1172 3.101,1173 2.91,1174 2.854,1175 4.227,1176 2.855,1177 2.932,1178 3.045,1179 2.784,1180 2.71,1181 3.81,1182 2.718,1183 2.828,1184 2.912,1185 2.614,1186 2.556,1187 3.65,1188 2.567,1189 2.394,1190 2.472,1191 2.262,1192 2.264,1193 3.592,1194 2.254,1195 0.206,1196 0.145,1197 0.304,1198 0.186,1199 0.144,1200 4.741,1201 0.205,1202 3.329,1204 6.987,1205 0.516,1206 4.273,1207 0.139,1208 3.305,1209 4.724,1211 11.875,1212 3.199,1213 1.966,1214 1.946,1215 2.035,1216 2.049,1217 1.189,1218 2.042,1219 1.785,1220 1.742,1221 1.852,1222 1.978,1223 0.936,1224 1.947,1225 1.49,1226 1.431,1227 1.667,1228 1.715,1229 0.703,1230 1.693,1231 1.418,1232 1.332,1233 1.633,1234 1.694,1235 0.636,1236 1.69,1237 1.086,1238 1.022,1239 1.247,1240 1.273,1241 0.31,1242 1.276,1243 0.871,1244 0.796,1245 1.17,1246 1.242,1247 0.15,1248 1.233,1249 0.802,1250 0.696,1251 1.099,1252 1.017,1254 1.05,1255 0.628,1256 0.552,1257 0.879,1258 0.877,1260 0.88,1261 3.85,1263 5.209,1264 3.045,1265 6.767,1266 5.416,1267 8.418,1268 7.535,1269 10.118,1271 1.853,1275 5.988,1289 21.709,1290 48.168,1291 122.98,1292 145.245,1293 153.245,1294 153.245,1295 153.245,1296 20.184,1297 7.193,1298 85.41,1299 85.41,1300 22,1301 12.56,1302 4.392,1303 3.459,1304 26.049,1305 53,1306 46,1307 0.247,1308 132.836,1309 202.6,1310 315.88,1311 11666,1313 13.69,1314 0.684,1315 0.542,1316 13.69,1317 10.83,1318 9.737,1319 0.423,1320 0.272,1321 6.142,1322 9.334,1323 5.995,1324 4.979,1325 9.737,1326 6.245,1327 9.05,1328 0.266,1329 0.139,1330 9.05,1331 4.709,1332 8.153,1333 0.166,1334 0.071,1335 8.153,1336 3.478,1337 7.281,1338 0.106,1339 0.036,1340 7.281,1341 2.507,1342 5.802,1343 0.068,1344 0.019,1345 5.802,1346 1.623,1347 0.368,1348 61.142,1349 0.252,1350 19.327,1351 0.74,1352 114,1353 310.226,1354 124.491,1355 310.36,1356 444.23,1357 292,1358 140,1359 352.561,1360 151.796,1361 359.167,1362 529.07,1363 338,1364 5.301}
{0 CHEMBL1240703,1 1.529,2 10.955,3 4.94,4 24.402,5 162.643,6 7.928,7 0.577,8 4.452,9 4.549,10 4.09,11 4.028,12 5.543,13 4.027,14 5.039,15 5.174,16 4.574,17 4.499,18 6.116,19 4.496,20 5.354,21 5.503,22 4.807,23 4.747,24 6.415,25 4.739,26 5.555,27 5.708,28 4.955,29 4.916,30 6.651,31 4.899,32 5.712,33 5.88,34 5.019,35 5.024,36 6.785,37 4.991,38 5.807,39 5.998,40 5.004,41 5.077,42 6.861,43 5.016,44 5.835,45 6.046,46 4.881,47 5.022,48 6.889,49 4.938,50 5.703,51 5.922,52 4.64,53 4.855,54 6.751,55 4.751,56 0.074,57 1.064,58 13.58,59 6.747,60 16.837,61 7.968,62 0.531,63 1.884,64 28.133,65 11.685,66 41.046,67 14.14,68 0.695,69 2.532,70 40.329,71 16.193,72 56.058,73 19.403,74 0.778,75 3.064,76 49.956,77 20.238,78 96.563,79 24.274,80 1.043,81 3.566,82 60.228,83 23.585,84 96.073,85 28.642,86 1.038,87 3.852,88 68.795,89 27.353,90 109.954,91 34.694,92 1.207,93 3.83,94 75.265,95 28.908,96 156.498,97 36.875,98 1.098,99 3.326,100 67.314,101 25.466,102 138.141,103 32.452,104 38,105 83,106 0.231,107 0.568,108 0.737,109 0.827,110 0.863,111 0.879,112 3.812,113 0.859,114 -4.59,115 -4.51,116 -4.24,118 47.3,119 1,120 1,123 2,126 2,127 2,129 1,138 13,139 7,148 4,153 2,167 19,170 3,171 14,173 1,174 1,175 3,178 20,181 4,182 16,186 4,188 16,191 3,192 22,195 1,197 4,199 18,203 3,204 18,206 3,208 4,211 21,214 4,215 25,218 1,220 7,223 21,227 1,228 22,231 2,233 8,235 15,240 19,243 2,245 2,247 18,251 2,252 10,255 2,260 23,264 3014,265 30.299,266 30.299,267 30.299,268 30.299,269 30.299,270 26.829,271 30.107,272 17.014,273 30.897,274 25.625,275 25.625,276 25.625,277 25.625,278 25.625,279 20.015,280 42.947,281 7.961,282 26.559,283 4.68,284 2.443,285 1.325,286 0.729,287 0.49,288 0.382,289 4.548,294 1,295 1118,296 4.359,299 121.185,300 299.889,301 49.544,303 439.111,304 146.694,305 82.085,306 664.026,307 1.508,308 52.322,311 0.75,312 0.5,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.73,319 95,320 482,321 5.138,322 4.043,323 8.024,324 4.739,325 3.793,326 5.289,327 1.336,328 15.536,329 3.613,330 4.75,331 3.795,332 7.474,333 4.443,334 3.479,335 4.71,336 1.2,337 13.722,338 3.327,339 4.543,340 3.694,341 7.021,342 4.175,343 3.21,344 3.989,345 1.157,346 12.03,347 3.099,348 4.285,349 3.386,350 6.766,351 3.998,352 3.028,353 3.729,354 0.947,355 10.942,356 2.937,357 4.182,358 3.266,359 6.561,360 3.864,361 2.885,362 3.608,363 0.86,364 10.12,365 2.819,366 3.862,367 2.917,368 6.172,369 3.482,370 2.514,371 3.419,372 0.297,373 8.82,374 2.422,375 3.744,376 2.719,377 6.05,378 3.376,379 2.404,380 3.089,381 0.293,382 8.417,383 2.342,384 3.578,385 2.675,386 5.919,387 3.265,388 2.314,389 2.882,391 7.954,392 2.182,393 3.524,394 2.377,395 5.707,396 3.125,397 2.134,398 2.818,400 7.212,401 2.106,402 3.291,403 2.209,404 5.427,405 2.877,406 1.915,407 2.546,409 6.136,410 1.842,411 3.083,412 2.086,413 5.061,414 2.697,415 1.736,416 2.21,417 5.186,418 1.668,419 2.996,420 2.041,421 5.018,422 2.633,423 1.648,424 2.113,425 4.93,426 1.604,427 2.91,428 1.899,429 4.776,430 2.534,431 1.575,432 2.082,433 4.553,434 1.499,435 2.86,436 1.524,437 4.615,438 2.389,439 1.401,440 1.962,441 4.114,442 1.383,443 2.712,444 1.486,445 4.108,446 2.301,447 1.336,448 1.774,449 3.097,450 1.287,451 20.767,452 0.472,453 1.342,454 0.03,455 57.5,456 1.307,457 27,458 0.614,459 30.5,460 0.693,461 50.138,462 1.139,463 45.233,464 0.611,465 57.233,466 1.301,467 11.281,468 0.256,469 10.065,470 0.229,471 0.12,472 0.024,473 0.467,478 0.8,479 1.228,480 0.703,481 0.984,482 0.679,483 0.851,484 0.92,485 1.003,486 0.763,487 0.809,488 0.639,489 0.763,490 1.094,491 1.016,492 0.854,493 0.881,494 0.811,495 0.827,496 1.13,497 1.095,498 0.913,499 0.977,500 0.963,501 0.916,502 1.141,503 1.061,504 1.027,505 1.018,506 0.93,507 0.999,508 0.947,509 1.098,510 1.016,511 1.09,512 0.812,513 1.067,514 1.053,515 1.048,516 1.077,517 1.081,518 1.089,519 1.084,520 1.134,521 1.021,522 1.179,523 1.101,524 1.141,525 1.141,526 7,527 0.268,528 5.778,529 5.972,530 4.638,531 3.362,532 2.694,533 1.621,534 0.966,535 0.552,536 27782,537 69378,538 2.223,539 40.5,541 21,542 2,544 2,547 3,548 2,549 1.835,550 2.054,551 3.332,552 0.081,558 113.158,559 1.529,560 3.766,561 4.885,562 5.481,563 5.719,564 5.827,565 2.771,566 5.187,567 5.428,568 3.497,569 3308.49,570 9.693,571 52353.2,576 459.5,577 1.563,578 5.382,579 0.135,580 0.006,581 0.07,582 0.058,583 0.039,584 0.027,585 0.023,586 0.016,587 0.012,588 0.009,589 0.395,590 0.33,591 0.75,592 0.64,593 241.215,594 -0.054,595 -0.131,596 0.066,597 -0.014,598 -0.093,599 0.035,600 0.06,601 0.096,602 0.103,603 0.139,604 0.01,605 0.126,606 -0.019,607 0.056,608 0.052,609 0.071,610 -0.024,611 0.076,612 -0.047,613 -0.046,614 0.007,615 -0.017,616 0.004,617 -0.001,618 -0.047,619 -0.014,620 -0.084,621 -0.063,622 -0.031,623 -0.076,624 0.014,625 -0.092,626 -0.053,627 -0.112,628 0.027,629 -0.097,630 -0.022,631 -0.086,632 -0.063,633 -0.089,634 -0.017,635 -0.083,636 -0.085,637 -0.069,638 -0.15,639 -0.107,640 -0.078,641 -0.133,642 2.486,643 6.891,644 0.795,645 42.955,646 1.007,647 1.114,648 3.358,649 11.275,650 0.692,651 3.97,652 4.431,653 4.898,654 5.371,655 5.79,656 6.161,657 6.562,658 6.93,659 7.229,660 7.519,661 6.401,662 0.669,663 586.69,664 3.97,665 5.602,666 6.555,667 7.535,668 8.515,669 9.51,670 10.503,671 11.505,672 12.505,673 13.512,674 5.4,681 2,682 2,689 8,690 13,695 3,696 2,697 30,704 1,705 1,716 74,718 32,719 4,720 52,722 82,723 35,724 24,725 11,726 13,727 2,728 9,729 81,732 1,735 4,738 4,740 26,741 9,744 2,749 2,753 2,760 30,761 7,762 2,763 9,769 4,775 0.222,776 5,789 2,793 3,794 5,795 1,797 6,798 2,799 1,800 7,817 1,818 2,819 2,823 3,827 44,832 1,833 1,834 1,835 2,837 4,838 1,839 1,850 6.8,851 1,853 2,854 2,858 21.417,859 14.383,860 9.208,861 4.471,863 6.054,864 1.54,865 1.044,866 5.397,867 17.257,868 4.248,869 4.98,870 5.766,871 6.568,872 7.324,873 7.988,874 8.698,875 9.367,876 9.927,877 10.491,878 0.75,879 103,880 16.539,881 7.798,882 7.71,883 31.545,884 28.583,885 2.21,886 97.25,890 329.591,891 191.665,892 24.933,894 114.973,897 191.665,898 444.564,899 24.933,900 28.105,901 23.67,902 165.875,903 81.699,904 23.647,905 32.119,906 306.049,908 329.591,909 216.598,910 114.973,913 294.278,914 85.603,915 64.683,917 36.293,918 180.305,921 329.591,922 139.906,923 191.665,926 329.591,927 40.369,928 158.218,929 18.011,930 114.973,931 329.591,932 139.906,933 191.665,935 0.604,936 0.388,937 0.239,938 0.143,939 50,940 22,941 0.037,942 3,943 10,944 1.486,945 4.64,946 598.099,947 0.571,948 32,949 236.215,954 26.371,955 9.005,956 3.203,957 6.983,958 136.108,959 25.332,964 1.68,965 4.387,966 60.694,967 661.162,968 69,973 27.482,977 -0.393,980 74.531,981 82.438,983 0.246,984 0.606,985 0.787,986 0.883,987 0.921,988 0.938,989 5.57,990 2.314,991 6.611,992 8.417,993 5.118,994 5.67,995 2.554,996 7.626,997 5.047,998 6.839,999 2.134,1000 8.293,1001 7.954,1002 4.977,1003 5.732,1004 1.025,1005 8.967,1006 4.855,1007 8.217,1008 1.915,1009 10.083,1010 7.212,1011 6.919,1012 8.064,1013 2.709,1014 12.207,1015 6.77,1016 9.637,1017 1.736,1018 11.94,1019 6.136,1020 7.621,1021 9.005,1022 1.63,1023 14.394,1024 7.413,1025 11.096,1026 1.648,1027 13.838,1028 5.186,1029 9.086,1030 10.856,1031 2.976,1032 17.219,1033 8.848,1034 12.583,1035 1.575,1036 15.767,1037 4.93,1038 10.139,1039 12.193,1040 2.195,1041 19.729,1042 9.842,1043 14.093,1044 1.401,1045 17.719,1046 4.553,1047 11.46,1048 13.884,1049 3.306,1050 22.45,1051 11.124,1052 3.793,1053 1.336,1054 19.689,1055 4.114,1056 12.654,1057 15.397,1058 2.759,1059 25.084,1060 12.263,1061 3.479,1062 15.536,1063 21.673,1064 3.097,1065 13.941,1066 17.042,1067 3.684,1068 27.788,1069 13.504,1070 3.21,1071 13.722,1072 23.669,1073 5.289,1074 15.193,1075 18.63,1076 3.324,1077 30.47,1078 14.703,1079 3.028,1080 12.03,1081 25.676,1082 4.71,1083 16.478,1084 20.267,1085 4.1,1086 33.178,1087 15.94,1088 2.885,1089 10.942,1090 27.692,1091 3.989,1092 17.756,1093 21.888,1094 3.89,1095 35.883,1096 17.166,1097 2.514,1098 10.12,1099 29.715,1100 3.729,1101 19.048,1102 23.529,1103 4.548,1104 38.599,1105 18.408,1106 2.404,1107 8.82,1108 31.745,1109 3.608,1110 20.341,1111 25.166,1112 4.456,1113 41.316,1114 19.65,1115 24898,1116 39485,1117 35.142,1118 51.193,1119 83.801,1120 85.386,1121 87.152,1122 82.891,1123 82.794,1124 108.604,1125 12.18,1126 274.369,1127 79.924,1128 6.138,1129 6.043,1130 7.826,1131 5.871,1132 5.793,1133 8.289,1134 2.493,1135 24.424,1136 5.613,1137 21.159,1138 1.612,1139 1.642,1140 1.676,1141 1.594,1142 1.592,1143 2.089,1144 0.234,1145 5.276,1146 1.537,1147 4.368,1148 4.39,1149 4.353,1150 4.286,1151 7.431,1152 4.3,1153 4.019,1154 4.046,1155 3.986,1156 3.953,1157 7.426,1158 3.957,1159 3.943,1160 3.972,1161 3.885,1162 3.858,1163 6.452,1164 3.858,1165 3.831,1166 3.86,1167 3.769,1168 3.686,1169 5.087,1170 3.701,1171 3.731,1172 3.763,1173 3.666,1174 3.622,1175 4.811,1176 3.626,1177 3.511,1178 3.564,1179 3.432,1180 3.322,1181 4.73,1182 3.346,1183 3.413,1184 3.468,1185 3.311,1186 3.234,1187 4.685,1188 3.241,1189 3.321,1190 3.376,1191 3.228,1192 3.132,1193 4.462,1194 3.151,1195 0.099,1196 0.078,1197 0.154,1198 0.091,1199 0.073,1200 5.138,1201 0.102,1202 4.043,1203 0.026,1204 8.024,1205 0.299,1206 4.739,1207 0.069,1208 3.793,1209 5.289,1210 1.336,1211 15.536,1212 3.613,1213 2.034,1214 2.027,1215 2.077,1216 2.095,1217 1.377,1218 2.081,1219 1.958,1220 1.932,1221 2.057,1222 2.068,1223 1.342,1224 2.068,1225 1.907,1226 1.882,1227 2.019,1228 2.019,1229 1.166,1230 2.005,1231 1.888,1232 1.856,1233 1.951,1234 1.999,1235 1.14,1236 2.003,1237 1.78,1238 1.746,1239 1.934,1240 1.918,1241 1.072,1242 1.927,1243 1.41,1244 1.353,1245 1.667,1246 1.674,1247 0.827,1248 1.658,1249 1.367,1250 1.322,1251 1.583,1252 1.649,1253 0.735,1254 1.62,1255 1.314,1256 1.27,1257 1.572,1258 1.55,1259 0.618,1260 1.553,1261 4.654,1263 6.08,1264 3.434,1265 7.717,1266 6.043,1267 9.456,1268 8.367,1269 11.253,1271 5.532,1276 11.331,1277 0.465,1278 2.778,1279 13.514,1281 -2.558,1282 1.788,1283 -1.072,1289 49.508,1290 113.158,1291 278.685,1292 361.478,1293 405.583,1294 423.235,1295 431.235,1296 85.004,1297 11.203,1298 97.96,1299 97.96,1300 52,1301 13.968,1302 5.044,1303 4.17,1304 51.439,1305 177,1306 213,1307 0.153,1308 286.137,1309 488.41,1310 689.934,1311 1325540,1313 30.068,1314 0.683,1315 0.556,1316 30.068,1317 24.444,1318 21.346,1319 0.411,1320 0.286,1321 14.672,1322 20.565,1323 14.327,1324 11.69,1325 21.346,1326 14.887,1327 20.482,1328 0.247,1329 0.147,1330 20.482,1331 12.22,1332 19.562,1333 0.147,1334 0.076,1335 19.562,1336 10.086,1337 18.819,1338 0.088,1339 0.039,1340 18.819,1341 8.371,1342 17.062,1343 0.052,1344 0.02,1345 17.062,1346 6.5,1347 0.227,1348 133.695,1349 0.169,1350 36.54,1351 0.473,1352 270,1353 712.36,1354 295.578,1355 681.976,1356 969.17,1357 644,1358 351,1359 747.433,1360 379.853,1361 753.841,1362 1156.83,1363 715,1364 5}
{0 CHEMBL1241241,1 1.6,2 7.25,3 2.159,4 4.66,5 78.257,6 7.695,7 0.727,8 3.681,9 3.813,10 3.271,11 3.181,12 4.881,13 3.182,14 4.156,15 4.337,16 3.651,17 3.553,18 5.303,19 3.543,20 4.365,21 4.566,22 3.708,23 3.656,24 5.507,25 3.635,26 4.446,27 4.679,28 3.671,29 3.664,30 5.567,31 3.617,32 4.35,33 4.575,34 3.498,35 3.615,36 5.374,37 3.547,38 4.281,39 4.483,40 3.425,41 3.551,42 5.44,43 3.47,44 4.381,45 4.661,46 3.018,47 3.407,48 5.39,49 3.247,50 4.143,51 4.481,52 2.519,53 2.981,54 5.083,55 2.731,56 0.082,57 0.569,58 6.955,59 2.75,60 11.316,61 3.657,62 0.157,63 0.874,64 12.315,65 4.498,66 18.094,67 6.316,68 0.224,69 1.014,70 16.084,71 4.99,72 25.163,73 7.245,74 0.35,75 1.058,76 18.472,77 5.575,78 37.547,79 8.226,80 0.223,81 0.971,82 16.167,83 4.945,84 23.329,85 7.414,86 0.185,87 0.903,88 14.416,89 4.973,90 26.09,91 7.241,92 0.323,93 0.824,94 18.828,95 5.471,96 40.653,97 8.397,98 0.308,99 0.515,100 16.934,101 5.419,102 44.339,103 8.447,104 18,105 32,106 0.291,107 0.699,108 0.77,109 0.791,110 0.791,111 0.791,112 3.06,113 0.867,114 -4.12,115 -4.07,116 -3.85,118 40,119 2,126 1,138 4,139 2,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 7,172 1,173 1,175 3,178 6,180 1,181 1,182 5,186 2,188 4,191 2,192 8,194 3,195 3,197 2,199 4,201 1,204 6,208 2,211 2,213 2,215 6,218 1,220 5,223 4,225 4,231 1,235 4,243 2,244 1,246 1,257 2,264 462,265 13.276,266 13.276,267 13.276,268 13.276,269 13.276,270 11.393,271 11.643,272 7.649,273 13.578,274 10.833,275 10.833,276 10.833,277 10.833,278 10.833,279 7.981,280 8.663,281 3.598,282 11.333,283 3.529,284 1.293,285 0.9,286 0.786,287 0.786,288 0.786,289 3.733,292 1,293 1,294 1,295 308,296 2.55,299 37.451,300 100.347,303 71.625,307 1.075,308 18.753,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 43.5,320 145,321 4.757,322 3.373,323 7.038,324 4.298,325 3.335,326 4.73,328 12.08,329 3.213,330 4.051,331 2.77,332 6.147,333 3.647,334 2.676,335 3.663,337 8.811,338 2.596,339 3.795,340 2.624,341 5.761,342 3.438,343 2.484,344 3.202,346 7.604,347 2.366,348 3.573,349 2.37,350 5.037,351 3.153,352 2.203,353 2.959,355 6.021,356 2.085,357 3.029,358 1.822,359 4.818,360 2.683,361 1.742,362 2.231,364 4.818,365 1.636,366 2.974,367 1.539,368 4.421,369 2.445,370 1.507,371 2.124,373 4.06,374 1.409,375 2.521,376 1.08,377 3.858,378 2.007,379 1.062,380 1.531,382 2.755,383 1.001,384 2.5,385 1,386 3.485,387 2,388 1,389 1.5,391 2.275,392 1,393 2.126,394 0.856,395 3.414,396 1.775,397 0.814,398 1.032,400 2.044,401 0.78,402 1.151,403 0.119,404 2.625,405 0.776,406 -0.161,407 -0.2,409 -0.363,410 -0.149,411 1.048,412 -0.173,413 2.418,414 0.593,415 -0.318,416 -0.411,417 -0.736,418 -0.289,419 0.636,420 -0.738,421 2.252,422 0.133,423 -0.798,424 -1,425 -2,426 -0.74,427 0.5,428 -0.896,429 2,431 -1,432 -1.094,433 -2.236,434 -0.995,435 0.206,436 -1,437 2,439 -1,440 -1.268,441 -2.951,442 -1,444 -1,445 1.672,446 -0.133,447 -1.069,448 -1.5,449 -3,450 -1,451 9.333,452 0.467,453 0.597,454 0.03,455 28.25,456 1.413,457 15,458 0.75,459 13.25,460 0.663,461 13.834,462 0.692,463 21.267,464 0.608,465 18.96,466 0.948,467 5.458,468 0.273,469 4.118,470 0.206,471 0.186,473 0.418,478 0.965,479 1.247,480 0.79,481 0.996,482 1.101,483 0.887,484 0.69,485 1.123,486 0.67,487 0.944,488 0.536,489 0.822,490 1.139,491 1.226,492 0.916,493 0.976,494 0.912,495 0.913,496 0.926,497 0.919,498 0.932,499 0.874,500 0.859,501 0.894,502 1.026,503 1.088,504 1.149,505 1.026,506 0.687,507 1.072,508 0.867,509 1.37,510 1.237,511 1.394,512 0.803,513 1.373,514 1.012,515 0.888,516 1.301,517 1.126,518 1.219,519 1.226,520 0.298,521 0.651,522 0.703,523 0.925,524 0.476,525 0.905,526 4,528 2.667,529 1.854,530 1.616,531 0.827,532 0.388,533 0.301,534 0.127,535 0.016,536 3263,537 9228,538 2.048,539 42.9,541 5,543 1,544 3,546 6,549 1.626,550 1.875,551 2.845,552 1.152,554 1,556 1,558 56.009,559 1.6,560 3.836,561 4.229,562 4.343,563 4.343,564 4.343,565 2.261,566 3.922,567 4.292,568 2.954,569 561.355,570 7.374,571 5537.51,572 1,573 1,575 1,576 179.525,577 1.522,578 4.231,579 0.182,581 0.083,582 0.056,583 0.052,584 0.032,585 0.017,586 0.023,587 0.018,588 0.005,589 0.469,590 0.67,591 1,592 0.897,593 85.957,594 -0.075,595 -0.042,596 0.024,597 0.035,598 -0.218,599 0.041,600 0.127,601 0.002,602 0.204,603 0.06,604 0.137,605 0.129,606 -0.14,607 -0.148,608 0.004,609 -0.018,610 -0.041,611 0.012,612 0.03,613 0.122,614 0.025,615 0.06,616 -0.013,617 0.039,618 -0.239,619 -0.016,620 -0.235,621 -0.074,622 -0.096,623 -0.131,624 -0.077,625 -0.302,626 -0.351,627 -0.41,628 -0.008,629 -0.423,630 -0.114,631 0.017,632 -0.293,633 -0.184,634 -0.246,635 -0.245,636 0.537,637 0.011,638 0.411,639 0.098,640 0.478,641 0.212,642 1.453,643 3.39,644 0.75,645 12.91,646 1.007,647 1.136,648 2.891,649 8.355,650 0.665,651 3.135,652 3.497,653 3.807,654 4.127,655 4.394,656 4.5,657 4.533,658 4.605,659 4.522,660 4.357,661 4.442,662 0.642,663 269.34,664 3.135,665 4.691,666 5.565,667 6.472,668 7.375,669 8.292,670 9.205,671 10.126,672 11.043,673 11.967,674 14.3,678 1,682 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,708 1,713 1,716 35,718 16,719 1,720 22,722 37,723 14,724 11,725 2,726 4,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,760 15,761 5,762 3,763 6,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,827 20,828 1,832 1,837 1,850 2.9,852 1,858 10.667,859 6.833,860 4.333,861 2.046,863 3.118,864 1.462,865 0.967,866 3.067,867 9.872,868 3.434,869 4.123,870 4.811,871 5.495,872 6.085,873 6.472,874 6.884,875 7.321,876 7.539,877 7.749,878 0.8,879 33,880 7.328,881 3.116,882 7.817,883 13.811,884 11.246,885 2.317,886 46.333,890 141.253,891 76.733,892 84.908,894 42.683,897 76.733,898 183.937,899 84.908,900 17.65,902 70.802,903 106.404,904 18.91,905 2.328,906 129.482,908 141.253,909 161.64,910 42.683,913 70.627,914 113.31,917 32.518,918 78.889,919 50.234,921 141.253,922 127.591,923 76.733,926 141.253,927 12.559,928 65.951,930 125.815,931 141.253,932 127.591,933 76.733,935 0.592,936 0.35,937 0.196,938 0.118,939 17,940 8,941 0.054,942 2,943 1,944 1.133,945 3.103,946 158.576,947 0.133,948 15,949 80.439,954 12.881,955 4.762,956 2.136,957 1.461,958 125.815,959 8.284,960 12.937,964 2.219,965 1.829,966 75.581,967 345.577,968 30,980 35.254,981 39.777,983 0.312,984 0.748,985 0.824,986 0.847,987 0.847,988 0.847,989 4.673,990 1,991 5.58,992 2.755,993 4.174,994 4.808,996 6.454,997 4.09,998 5.922,999 0.814,1000 7.18,1001 2.275,1002 3.892,1003 4.745,1005 7.503,1006 3.765,1007 7.258,1008 -0.161,1009 8.884,1010 2.044,1011 5.82,1012 7.138,1014 10.653,1015 5.66,1016 8.636,1017 -0.318,1018 10.648,1019 -0.363,1020 6.347,1021 7.93,1023 12.565,1024 6.149,1025 10.049,1026 -0.798,1027 12.452,1028 -0.736,1029 7.793,1030 9.809,1032 15.261,1033 7.564,1034 11.489,1035 -1,1036 14.285,1037 -2,1038 8.687,1039 11.009,1041 17.522,1042 8.42,1043 12.951,1044 -1,1045 16.139,1046 -2.236,1047 9.957,1048 12.682,1050 20.074,1051 9.658,1052 3.335,1053 -1.069,1054 18.01,1055 -2.951,1056 11.018,1057 14.077,1059 22.475,1060 10.682,1061 2.676,1062 12.08,1063 19.895,1064 -3,1065 12.23,1066 15.669,1068 24.981,1069 11.86,1070 2.484,1071 8.811,1072 21.79,1073 4.73,1074 13.366,1075 17.152,1077 27.436,1078 12.959,1079 2.203,1080 7.604,1081 23.694,1082 3.663,1083 14.562,1084 18.716,1086 29.93,1087 14.119,1088 1.742,1089 6.021,1090 25.605,1091 3.202,1092 15.733,1093 20.237,1095 32.406,1096 15.252,1097 1.507,1098 4.818,1099 27.523,1100 2.959,1101 16.927,1102 21.792,1104 34.897,1105 16.41,1106 1.062,1107 4.06,1108 29.445,1109 2.231,1110 18.113,1111 23.331,1113 37.382,1114 17.56,1115 3271,1116 5605,1117 14.334,1118 23.29,1119 34.109,1120 33.596,1121 35.592,1122 33.712,1123 33.647,1124 45.943,1126 100.937,1127 32.174,1128 5.419,1129 5.373,1130 6.566,1131 5.37,1132 5.335,1133 7.73,1135 19.53,1136 5.213,1137 10.629,1138 1.55,1139 1.527,1140 1.618,1141 1.532,1142 1.529,1143 2.088,1145 4.588,1146 1.462,1147 4.131,1148 4.178,1149 4.113,1150 3.992,1151 6.471,1152 4.014,1153 3.833,1154 3.863,1155 3.776,1156 3.729,1157 5.255,1158 3.739,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 4.874,1164 3.399,1165 3.211,1166 3.289,1167 3.128,1168 2.986,1169 4.617,1170 3.018,1171 3.007,1172 3.114,1173 2.888,1174 2.735,1175 4.441,1176 2.735,1177 2.874,1178 3.009,1179 2.72,1180 2.694,1181 4.058,1182 2.715,1183 2.854,1184 2.925,1185 2.687,1186 2.618,1187 3.687,1188 2.615,1189 2.833,1190 2.881,1191 2.499,1192 2.595,1193 3.674,1194 2.57,1195 0.216,1196 0.153,1197 0.32,1198 0.195,1199 0.152,1200 4.757,1201 0.215,1202 3.373,1204 7.038,1205 0.549,1206 4.298,1207 0.146,1208 3.335,1209 4.73,1211 12.08,1212 3.213,1213 1.928,1214 1.907,1215 2.008,1216 2.037,1217 1.153,1218 2.021,1219 1.795,1220 1.747,1221 1.946,1222 1.981,1223 1.107,1224 1.972,1225 1.61,1226 1.546,1227 1.773,1228 1.809,1229 0.829,1230 1.81,1231 1.144,1232 1.089,1233 1.417,1234 1.411,1235 0.469,1236 1.379,1237 0.934,1238 0.821,1239 1.263,1240 1.239,1241 0.263,1242 1.308,1243 0.886,1244 0.804,1245 1.181,1246 1.238,1247 0.218,1248 1.219,1249 0.879,1250 0.787,1251 1.15,1252 1.08,1253 0.036,1254 1.107,1255 0.761,1256 0.674,1257 0.99,1258 1.062,1260 1.06,1261 3.807,1263 5.153,1264 2.398,1265 6.701,1266 4.844,1267 8.342,1268 7.081,1269 10.035,1271 4.066,1275 5.984,1276 9.39,1281 0.165,1289 22.456,1290 56.009,1291 134.264,1292 148.015,1293 152.015,1294 152.015,1295 152.015,1296 27.999,1297 6.755,1298 89.85,1299 89.85,1300 17,1301 12.474,1302 4.087,1303 3.17,1304 29.672,1305 52,1306 60,1307 0.292,1308 140.359,1309 226.29,1310 334.236,1311 6245,1313 14.276,1314 0.714,1315 0.564,1316 14.276,1317 11.278,1318 9.575,1319 0.435,1320 0.289,1321 6.263,1322 9.18,1323 6.062,1324 5.081,1325 9.575,1326 6.357,1327 8.977,1328 0.281,1329 0.153,1330 8.977,1331 4.891,1332 7.459,1333 0.17,1334 0.072,1335 7.459,1336 3.148,1337 6.355,1338 0.104,1339 0.036,1340 6.355,1341 2.177,1342 5.373,1343 0.067,1344 0.019,1345 5.373,1346 1.509,1347 0.43,1348 60.172,1349 0.264,1350 19.264,1351 0.892,1352 108,1353 310.042,1354 119.54,1355 306.81,1356 429.12,1357 286,1358 130,1359 334.323,1360 142.291,1361 338.103,1362 496.43,1363 318,1364 5.91}
{0 CHEMBL1241270,1 1.662,2 7.056,3 1.849,4 3.418,5 67.793,6 8.32,7 0.8,8 3.524,9 3.651,10 3.172,11 3.034,12 4.799,13 3.055,14 3.952,15 4.11,16 3.541,17 3.412,18 5.19,19 3.418,20 4.1,21 4.25,22 3.579,23 3.491,24 5.343,25 3.483,26 4.234,27 4.438,28 3.467,29 3.426,30 5.479,31 3.387,32 4.16,33 4.428,34 3.183,35 3.245,36 5.228,37 3.175,38 3.811,39 4.026,40 3.068,41 2.974,42 5.078,43 2.962,44 3.677,45 3.911,46 2.787,47 2.777,48 5.003,49 2.714,50 3.479,51 3.758,52 2.154,53 2.425,54 4.536,55 2.297,56 0.11,57 0.491,58 5.042,59 2.107,60 12.076,61 2.501,62 0.167,63 0.736,64 8.519,65 3.579,66 16.662,67 4.554,68 0.151,69 0.816,70 9.663,71 4.163,72 16.01,73 5.228,74 0.344,75 0.839,76 13.429,77 4.615,78 38.073,79 5.993,80 0.33,81 0.711,82 14.869,83 4.121,84 33.756,85 6.119,86 0.228,87 0.528,88 9.125,89 2.616,90 26.628,91 3.559,92 0.265,93 0.431,94 8.357,95 2.43,96 31.532,97 3.523,98 0.177,99 0.311,100 7.886,101 2.154,102 22.161,103 3.095,104 10,105 29,106 0.314,107 0.761,108 0.844,109 0.875,110 0.875,111 0.875,112 2.963,113 0.812,114 -3.59,115 -3.56,116 -3.39,118 41.4,119 1,138 3,139 3,140 1,143 1,144 1,145 1,148 1,158 1,159 1,160 1,163 1,167 5,170 2,171 3,172 1,173 1,175 5,178 6,180 1,182 1,184 1,186 5,188 6,191 1,192 4,194 2,195 3,196 1,197 3,198 1,199 2,201 1,204 5,207 1,208 4,211 1,213 2,215 3,218 1,220 2,223 1,225 1,228 3,231 2,232 1,233 1,234 1,237 1,240 2,245 1,249 1,264 336,265 12.069,266 12.069,267 12.069,268 12.069,269 12.069,270 10.101,271 6.259,272 6.914,273 12.324,274 9.833,275 9.833,276 9.833,277 9.833,278 9.833,279 6.958,280 4.346,281 3.241,282 10.248,283 3.196,284 0.837,285 0.397,286 0.233,287 0.233,288 0.233,289 3.636,293 1,294 1,295 274,296 1.871,299 32.457,300 89.996,303 62.303,307 0.957,308 18.006,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 39.5,320 127,321 4.671,322 3.258,323 6.887,324 4.208,325 3.236,326 4.629,328 11.501,329 3.147,330 4.198,331 2.979,332 6.016,333 3.769,334 2.794,335 3.868,337 8.521,338 2.721,339 3.683,340 2.409,341 5.686,342 3.293,343 2.326,344 3.088,346 7.34,347 2.247,348 3.42,349 2.059,350 5.034,351 2.917,352 1.991,353 2.807,355 5.677,356 1.841,357 2.996,358 1.684,359 4.438,360 2.453,361 1.51,362 2.234,364 4.071,365 1.42,366 2.82,367 1.526,368 4.039,369 2.384,370 1.414,371 1.948,373 3.512,374 1.365,375 2.553,376 1.077,377 3.811,378 2.01,379 1.065,380 1.578,382 2.683,383 1.004,384 2.186,385 0.795,386 3.314,387 1.701,388 0.744,389 1.053,391 1.807,392 0.71,393 1.371,394 0.417,395 2.655,396 1.061,397 0.101,398 0.122,400 0.223,401 0.096,402 1.043,403 -0.179,404 2.374,405 0.591,406 -0.32,407 -0.412,409 -0.735,410 -0.291,411 0.779,412 -0.381,413 2.365,414 0.355,415 -0.595,416 -0.773,417 -1.578,418 -0.56,419 0.573,420 -0.794,421 2,422 0.092,423 -0.875,424 -1.189,425 -2.318,426 -0.84,427 0.13,428 -1.121,429 2,430 -0.271,431 -1.215,432 -1.656,433 -3.245,434 -1.132,435 -0.042,436 -1.195,437 1.754,438 -0.406,439 -1.356,440 -1.789,441 -3.385,442 -1.286,443 -0.133,444 -1.23,445 1.281,446 -0.478,447 -1.414,448 -1.853,449 -4.027,450 -1.342,451 8.333,452 0.463,453 0.507,454 0.028,455 27,456 1.5,457 15,458 0.833,459 12,460 0.667,461 10.426,462 0.579,463 18.667,464 0.644,465 17.161,466 0.953,467 5.415,468 0.301,469 3.25,470 0.181,471 0.148,473 0.42,478 1.028,479 1.072,480 0.754,481 0.822,482 1.116,483 0.746,484 0.655,485 0.952,486 0.63,487 0.863,488 0.582,489 0.76,490 0.91,491 1.387,492 0.901,493 1.298,494 0.903,495 1.142,496 1.095,497 1.048,498 1.124,499 1.171,500 1.214,501 1.178,502 0.974,503 0.886,504 0.986,505 0.837,506 0.829,507 0.887,508 1.283,509 1.11,510 1.062,511 0.999,512 1.318,513 0.98,514 0.812,515 0.947,516 1.131,517 1.068,518 0.769,519 1.141,520 1.374,521 0.91,522 1.311,523 1.051,524 1.401,525 1.156,526 3.5,528 2.667,529 1.375,530 1.197,531 0.406,532 0.384,533 0.234,534 0.057,535 0.016,536 2585,537 7885,538 2.086,539 37.9,540 3,541 3,543 1,544 4,549 1.59,550 1.929,551 2.842,552 2.105,554 1,555 1,556 1,558 48.199,559 1.662,560 4.021,561 4.461,562 4.625,563 4.625,564 4.625,565 2.213,566 3.948,567 4.145,568 2.898,569 443.418,570 7.051,571 4040.33,573 1,575 1,576 140.881,577 1.481,578 4.09,579 0.175,581 0.092,582 0.047,583 0.05,584 0.023,585 0.024,586 0.021,587 0.011,588 0.016,589 0.459,590 0.5,591 1,592 0.662,593 74.457,594 -0.16,595 0.094,596 -0.012,597 0.151,598 -0.26,599 0.109,600 0.096,601 0.157,602 0.169,603 0.132,604 0.081,605 0.158,606 -0.061,607 -0.326,608 -0.094,609 -0.299,610 -0.049,611 -0.225,612 -0.016,613 -0.07,614 -0.177,615 -0.222,616 -0.106,617 -0.249,618 -0.05,619 0.001,620 0.082,621 0.12,622 0.02,623 0.136,624 -0.13,625 -0.14,626 -0.077,627 -0.079,628 -0.108,629 -0.061,630 0.283,631 -0.018,632 -0.106,633 -0.137,634 0.343,635 -0.184,636 -0.248,637 -0.114,638 -0.173,639 -0.085,640 -0.169,641 -0.108,642 1.439,643 3.743,644 0.833,645 9.852,646 1.017,647 1.136,648 2.355,649 5.547,650 0.682,651 3.045,652 3.401,653 3.714,654 3.989,655 4.19,656 4.234,657 4.304,658 4.394,659 4.29,660 4.143,661 4.237,662 0.669,663 241.28,664 3.045,665 4.595,666 5.468,667 6.365,668 7.256,669 8.158,670 9.056,671 9.96,672 10.861,673 11.766,674 17.2,678 1,682 1,684 3,689 2,690 4,691 3,692 1,695 5,697 16,708 1,713 1,716 29,718 16,719 1,720 20,722 31,723 12,724 11,725 3,726 3,728 3,729 4,732 1,740 11,741 1,757 1,760 11,761 5,762 4,763 6,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 1,827 18,828 1,832 1,850 3.4,852 1,858 9.333,859 5.467,860 3.889,861 1.536,863 3.194,864 1.486,865 1.003,866 2.419,867 9.767,868 3.367,869 4.073,870 4.755,871 5.408,872 5.955,873 6.308,874 6.733,875 7.188,876 7.389,877 7.635,878 0.8,879 29,880 6.572,881 2.826,882 7.898,883 12.23,884 9.955,885 2.398,886 43.167,887 0.001,890 82.398,891 61.617,892 99.794,894 42.683,897 61.617,898 125.081,899 99.794,900 8.825,902 61.326,903 104.689,904 35.941,905 5.085,906 70.627,908 82.398,909 161.411,910 42.683,913 84.113,914 42.683,917 34.107,918 75.355,919 50.234,921 82.398,922 142.478,923 61.617,926 82.398,927 15.744,928 45.873,929 16.663,930 125.815,931 82.398,932 142.478,933 61.617,935 0.595,936 0.361,937 0.191,938 0.103,939 16,940 7,941 0.032,942 1,943 1,944 1.133,945 2.982,946 135.691,947 0.133,948 15,949 75.059,954 10.989,955 3.962,956 1.726,957 1.179,958 125.815,959 6.745,960 12.052,961 2.874,964 2.904,966 92.244,967 286.492,968 28,980 29.487,981 32.947,983 0.342,984 0.828,985 0.918,986 0.952,987 0.952,988 0.952,989 4.595,990 0.744,991 5.476,992 2.683,993 4.078,994 4.758,996 6.333,997 4.002,998 5.849,999 0.101,1000 7.069,1001 1.807,1002 3.761,1003 4.691,1005 7.338,1006 3.662,1007 7.188,1008 -0.32,1009 8.763,1010 0.223,1011 5.714,1012 7.101,1014 10.468,1015 5.582,1016 8.567,1017 -0.595,1018 10.516,1019 -0.735,1020 6.217,1021 7.879,1023 12.323,1024 6.064,1025 9.979,1026 -0.875,1027 12.308,1028 -1.578,1029 7.663,1030 9.755,1032 14.985,1033 7.484,1034 11.415,1035 -1.215,1036 14.126,1037 -2.318,1038 8.531,1039 10.93,1041 17.186,1042 8.328,1043 12.87,1044 -1.356,1045 15.963,1046 -3.245,1047 9.789,1048 12.592,1050 19.696,1051 9.561,1052 3.236,1053 -1.414,1054 17.816,1055 -3.385,1056 10.819,1057 13.954,1059 22.039,1060 10.565,1061 2.794,1062 11.501,1063 19.681,1064 -4.027,1065 12.008,1066 15.529,1068 24.5,1069 11.728,1070 2.326,1071 8.521,1072 21.556,1073 4.629,1074 13.11,1075 16.978,1077 26.901,1078 12.803,1079 1.991,1080 7.34,1081 23.44,1082 3.868,1083 14.277,1084 18.519,1086 29.346,1087 13.943,1088 1.51,1089 5.677,1090 25.33,1091 3.088,1092 15.411,1093 20.009,1095 31.771,1096 15.05,1097 1.414,1098 4.071,1099 27.225,1100 2.807,1101 16.573,1102 21.539,1104 34.213,1105 16.185,1106 1.065,1107 3.512,1108 29.126,1109 2.234,1110 17.723,1111 23.048,1113 36.647,1114 17.307,1115 2559,1116 4566,1117 13.235,1118 19.767,1119 30.653,1120 30.663,1121 32.05,1122 30.404,1123 30.362,1124 42.655,1126 90.671,1127 29.101,1128 5.332,1129 5.258,1130 6.431,1131 5.28,1132 5.236,1133 7.629,1135 18.709,1136 5.147,1137 8.515,1138 1.533,1139 1.533,1140 1.602,1141 1.52,1142 1.518,1143 2.133,1145 4.534,1146 1.455,1147 4.109,1148 4.155,1149 4.089,1150 3.984,1151 6.469,1152 4.002,1153 3.847,1154 3.878,1155 3.797,1156 3.736,1157 5.28,1158 3.75,1159 3.344,1160 3.436,1161 3.272,1162 3.114,1163 4.915,1164 3.133,1165 3.111,1166 3.208,1167 2.967,1168 2.862,1169 4.614,1170 2.881,1171 2.975,1172 3.088,1173 2.818,1174 2.746,1175 4.459,1176 2.749,1177 2.932,1178 2.971,1179 2.805,1180 2.673,1181 3.874,1182 2.706,1183 2.544,1184 2.621,1185 2.337,1186 2.298,1187 3.652,1188 2.294,1189 2.332,1190 2.437,1191 2.193,1192 2.011,1193 3.492,1194 2.043,1195 0.234,1196 0.163,1197 0.344,1198 0.21,1199 0.162,1200 4.671,1201 0.231,1202 3.258,1204 6.887,1205 0.575,1206 4.208,1207 0.157,1208 3.236,1209 4.629,1211 11.501,1212 3.147,1213 1.948,1214 1.928,1215 2.035,1216 2.04,1217 1.17,1218 2.036,1219 1.752,1220 1.713,1221 1.814,1222 1.931,1223 0.889,1224 1.901,1225 1.354,1226 1.281,1227 1.563,1228 1.656,1229 0.594,1230 1.616,1231 1.074,1232 0.974,1233 1.33,1234 1.364,1235 0.256,1236 1.387,1237 0.883,1238 0.839,1239 1.153,1240 1.229,1241 0.146,1242 1.218,1243 0.809,1244 0.726,1245 1.133,1246 1.141,1248 1.131,1249 0.783,1250 0.666,1251 0.969,1252 1.009,1254 1.006,1255 0.4,1256 0.323,1257 0.746,1258 0.74,1260 0.749,1261 3.714,1263 5.056,1264 2.398,1265 6.603,1266 4.727,1267 8.242,1268 6.862,1269 9.928,1271 1.835,1275 5.833,1276 9.743,1289 19.402,1290 48.199,1291 116.617,1292 129.372,1293 134.127,1294 134.127,1295 134.127,1296 23.271,1297 6.574,1298 100.71,1299 100.71,1300 17,1301 12.285,1302 4.087,1303 3.17,1304 25.617,1305 45,1306 44,1307 0.291,1308 121.174,1309 191.69,1310 287.425,1311 5182,1313 12.698,1314 0.705,1315 0.538,1316 12.698,1317 9.676,1318 8.665,1319 0.433,1320 0.271,1321 5.323,1322 8.299,1323 5.183,1324 4.323,1325 8.665,1326 5.411,1327 8.015,1328 0.276,1329 0.14,1330 8.015,1331 4.057,1332 7.045,1333 0.176,1334 0.072,1335 7.045,1336 2.878,1337 5.787,1338 0.109,1339 0.035,1340 5.787,1341 1.853,1342 4.599,1343 0.071,1344 0.019,1345 4.599,1346 1.208,1347 0.432,1348 54.671,1349 0.275,1350 17.577,1351 0.874,1352 98,1353 296.73,1354 108.18,1355 294.586,1356 408.49,1357 274,1358 118,1359 313.256,1360 128.764,1361 319.098,1362 465.55,1363 299,1364 4.738}
{0 CHEMBL1241271,1 1.631,2 7.105,3 1.919,4 3.681,5 74.132,6 7.978,7 0.762,8 3.606,9 3.734,10 3.226,11 3.105,12 4.841,13 3.117,14 4.062,15 4.242,16 3.605,17 3.481,18 5.243,19 3.485,20 4.201,21 4.357,22 3.672,23 3.588,24 5.437,25 3.581,26 4.344,27 4.547,28 3.569,29 3.566,30 5.545,31 3.519,32 4.263,33 4.508,34 3.362,35 3.428,36 5.347,37 3.358,38 4.096,39 4.322,40 3.208,41 3.262,42 5.262,43 3.204,44 4.048,45 4.323,46 2.952,47 3.064,48 5.219,49 2.952,50 3.712,51 3.971,52 2.331,53 2.664,54 4.782,55 2.531,56 0.092,57 0.531,58 5.983,59 2.424,60 10.875,61 3.093,62 0.187,63 0.804,64 10.788,65 3.925,66 15.846,67 5.326,68 0.157,69 0.907,70 11.718,71 4.447,72 18.46,73 5.876,74 0.342,75 0.945,76 15.526,77 5.211,78 37.797,79 7.017,80 0.278,81 0.825,82 15.586,83 4.728,84 29.435,85 7.022,86 0.25,87 0.708,88 12.437,89 3.571,90 26.186,91 5.191,92 0.318,93 0.574,94 13.79,95 4.075,96 40.615,97 6.211,98 0.228,99 0.384,100 9.919,101 2.766,102 29.085,103 3.826,104 17,105 31,106 0.302,107 0.74,108 0.833,109 0.861,110 0.861,111 0.861,112 3.013,113 0.83,114 -3.86,115 -3.82,116 -3.62,118 40.6,119 1,123 1,138 3,139 3,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 5,172 1,173 1,175 3,178 6,180 1,181 1,182 3,186 3,188 6,191 2,192 5,194 3,195 3,197 2,199 2,201 1,204 6,206 1,208 3,211 1,213 2,215 4,218 1,220 1,223 1,225 1,228 3,231 2,232 1,233 1,234 1,237 1,240 2,245 1,249 1,264 394,265 12.569,266 12.569,267 12.569,268 12.569,269 12.569,270 10.556,271 9.421,272 7.132,273 12.839,274 10.317,275 10.317,276 10.317,277 10.317,278 10.317,279 7.356,280 6.846,281 3.346,282 10.775,283 3.369,284 1.008,285 0.508,286 0.36,287 0.36,288 0.36,289 3.684,292 1,293 1,294 1,295 289,296 2,299 34.705,300 95.328,303 66.566,307 0.964,308 18.616,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 41.5,320 135,321 4.738,322 3.331,323 6.986,324 4.27,325 3.304,326 4.718,328 11.872,329 3.195,330 4.209,331 2.994,332 6.064,333 3.786,334 2.81,335 3.877,337 8.669,338 2.737,339 3.695,340 2.423,341 5.765,342 3.307,343 2.34,344 3.111,346 7.527,347 2.261,348 3.646,349 2.372,350 5.493,351 3.193,352 2.26,353 3.073,355 6.75,356 2.107,357 2.999,358 1.684,359 4.47,360 2.455,361 1.514,362 2.237,364 4.145,365 1.421,366 2.82,367 1.533,368 4.327,369 2.384,370 1.414,371 1.948,373 3.66,374 1.365,375 2.712,376 1.401,377 4.038,378 2.244,379 1.299,380 1.799,382 3.512,383 1.224,384 2.447,385 1.052,386 3.63,387 1.947,388 1.012,389 1.425,391 2.49,392 0.944,393 1.373,394 0.425,395 2.736,396 1.067,397 0.105,398 0.127,400 0.231,401 0.1,402 1.092,403 -0.08,404 2.442,405 0.669,406 -0.243,407 -0.306,409 -0.572,410 -0.222,411 0.791,412 -0.354,413 2.375,414 0.359,415 -0.593,416 -0.743,417 -1.502,418 -0.56,419 0.724,420 -0.501,421 2.277,422 0.288,423 -0.628,424 -0.825,425 -1.605,426 -0.574,427 0.373,428 -0.819,429 2.143,430 0.036,431 -0.946,432 -1.214,433 -2.662,434 -0.927,435 -0.013,436 -1.19,437 1.79,438 -0.37,439 -1.336,440 -1.776,441 -3.402,442 -1.216,443 -0.047,444 -1.227,445 1.543,446 -0.429,447 -1.359,448 -1.812,449 -3.521,450 -1.303,451 8.833,452 0.465,453 0.597,454 0.031,455 27.75,456 1.461,457 15,458 0.789,459 12.75,460 0.671,461 11.866,462 0.625,463 19.967,464 0.624,465 18.659,466 0.982,467 5.546,468 0.292,469 3.529,470 0.186,471 0.196,473 0.442,478 0.978,479 1.229,480 0.762,481 0.959,482 1.106,483 0.845,484 0.742,485 0.913,486 0.612,487 0.744,488 0.562,489 0.66,490 1.027,491 1.357,492 0.921,493 1.189,494 0.957,495 1.061,496 1.119,497 1.034,498 1.126,499 1.133,500 1.235,501 1.147,502 0.915,503 1.061,504 0.982,505 0.991,506 0.715,507 0.99,508 1.172,509 1.115,510 1.242,511 1.13,512 1.263,513 1.168,514 0.699,515 0.84,516 0.927,517 0.977,518 0.716,519 0.991,520 1.827,521 0.906,522 1.453,523 1.065,524 1.963,525 1.202,526 4,528 2.889,529 1.917,530 1.477,531 0.549,532 0.445,533 0.293,534 0.057,535 0.016,536 2884,537 8375,538 2.05,539 40.6,540 3,541 6,543 1,544 3,549 1.609,550 1.869,551 2.832,552 1.2,554 1,556 1,558 52.179,559 1.631,560 3.992,561 4.492,562 4.64,563 4.64,564 4.64,565 2.189,566 3.932,567 4.222,568 2.909,569 497.47,570 7.218,571 4713.42,572 1,573 1,575 1,576 160,577 1.529,578 4.153,579 0.19,581 0.093,582 0.06,583 0.055,584 0.025,585 0.025,586 0.023,587 0.01,588 0.016,589 0.496,590 0.67,591 1,592 0.697,593 80.037,594 -0.098,595 -0.044,596 0.018,597 0.044,598 -0.241,599 0.047,600 0.08,601 0.205,602 0.247,603 0.242,604 0.105,605 0.271,606 -0.112,607 -0.245,608 -0.089,609 -0.2,610 -0.065,611 -0.15,612 -0.034,613 -0.015,614 -0.194,615 -0.181,616 -0.126,617 -0.225,618 -0.031,619 -0.113,620 0.001,621 -0.028,622 0.086,623 -0.007,624 -0.167,625 -0.099,626 -0.29,627 -0.215,628 -0.241,629 -0.253,630 0.317,631 -0.004,632 0.145,633 -0.004,634 0.362,635 0.038,636 -0.402,637 -0.103,638 -0.358,639 -0.108,640 -0.321,641 -0.217,642 1.438,643 3.813,644 0.789,645 11.014,646 1.012,647 1.136,648 2.627,649 6.901,650 0.673,651 3.091,652 3.466,653 3.784,654 4.078,655 4.317,656 4.357,657 4.431,658 4.511,659 4.431,660 4.234,661 4.302,662 0.654,663 255.31,664 3.091,665 4.654,666 5.533,667 6.441,668 7.343,669 8.255,670 9.165,671 10.079,672 10.992,673 11.908,674 15.6,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,716 32,718 16,719 1,720 21,722 34,723 13,724 11,725 3,726 3,728 3,729 4,732 1,740 11,741 2,757 1,760 13,761 5,762 3,763 6,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,827 19,828 1,832 1,850 3.1,852 1,858 10.167,859 6.417,860 4.083,861 1.714,863 3.173,864 1.475,865 0.986,866 2.644,867 9.852,868 3.401,869 4.123,870 4.811,871 5.476,872 6.051,873 6.405,874 6.833,875 7.274,876 7.504,877 7.702,878 0.8,879 32,880 6.953,881 2.97,882 7.851,883 13.012,884 10.556,885 2.351,886 44.667,887 0.001,890 117.711,891 70.013,892 84.908,894 42.683,897 70.013,898 160.394,899 84.908,900 17.222,902 61.326,903 106.404,904 22.096,905 2.328,906 105.94,908 117.711,909 154.921,910 42.683,913 117.711,914 42.683,917 23.692,918 80.994,919 50.234,921 117.711,922 127.591,923 70.013,926 117.711,927 15.744,928 56.045,930 125.815,931 117.711,932 127.591,933 70.013,935 0.599,936 0.365,937 0.195,938 0.111,939 17,940 8,941 0.029,942 1,943 1,944 1.133,945 3.017,946 148.002,947 0.133,948 15,949 80.711,954 11.932,955 4.21,956 1.828,957 1.371,958 125.815,959 6.813,960 12.587,964 2.884,965 1.652,966 75.581,967 315.315,968 29,980 32.371,981 36.362,983 0.326,984 0.798,985 0.898,986 0.928,987 0.928,988 0.928,989 4.644,990 1.012,991 5.557,992 3.512,993 4.143,994 4.808,996 6.435,997 4.063,998 5.911,999 0.105,1000 7.165,1001 2.49,1002 3.892,1003 4.808,1005 7.469,1006 3.779,1007 7.26,1008 -0.243,1009 8.873,1010 0.231,1011 5.802,1012 7.169,1014 10.614,1015 5.657,1016 8.649,1017 -0.593,1018 10.638,1019 -0.572,1020 6.347,1021 7.994,1023 12.492,1024 6.172,1025 10.07,1026 -0.628,1027 12.439,1028 -1.502,1029 7.779,1030 9.851,1032 15.177,1033 7.576,1034 11.515,1035 -0.946,1036 14.266,1037 -1.605,1038 8.679,1039 11.063,1041 17.408,1042 8.444,1043 12.979,1044 -1.336,1045 16.112,1046 -2.662,1047 9.938,1048 12.722,1050 19.945,1051 9.674,1052 3.304,1053 -1.359,1054 17.974,1055 -3.402,1056 10.995,1057 14.115,1059 22.322,1060 10.698,1061 2.81,1062 11.872,1063 19.848,1064 -3.521,1065 12.195,1066 15.698,1068 24.812,1069 11.868,1070 2.34,1071 8.669,1072 21.733,1073 4.718,1074 13.321,1075 17.174,1077 27.247,1078 12.96,1079 2.26,1080 7.527,1081 23.626,1082 3.877,1083 14.504,1084 18.729,1086 29.723,1087 14.112,1088 1.514,1089 6.75,1090 25.526,1091 3.111,1092 15.662,1093 20.243,1095 32.181,1096 15.236,1097 1.414,1098 4.145,1099 27.433,1100 3.073,1101 16.843,1102 21.79,1104 34.655,1105 16.384,1106 1.299,1107 3.66,1108 29.345,1109 2.237,1110 18.016,1111 23.322,1113 37.122,1114 17.523,1115 2879,1116 5005,1117 13.641,1118 21.529,1119 32.435,1120 32.424,1121 34.308,1122 32.164,1123 32.115,1124 44.629,1126 97.714,1127 30.709,1128 5.4,1129 5.331,1130 6.515,1131 5.343,1132 5.304,1133 7.718,1135 19.202,1136 5.195,1137 10.147,1138 1.545,1139 1.544,1140 1.634,1141 1.532,1142 1.529,1143 2.125,1145 4.653,1146 1.462,1147 4.124,1148 4.17,1149 4.106,1150 3.991,1151 6.469,1152 4.012,1153 3.858,1154 3.888,1155 3.806,1156 3.751,1157 5.257,1158 3.764,1159 3.392,1160 3.49,1161 3.308,1162 3.116,1163 4.878,1164 3.145,1165 3.204,1166 3.28,1167 3.063,1168 3.044,1169 4.616,1170 3.039,1171 2.969,1172 3.081,1173 2.815,1174 2.746,1175 4.451,1176 2.751,1177 2.934,1178 2.99,1179 2.805,1180 2.727,1181 3.899,1182 2.73,1183 2.865,1184 2.963,1185 2.611,1186 2.558,1187 3.66,1188 2.568,1189 2.509,1190 2.585,1191 2.295,1192 2.272,1193 3.595,1194 2.264,1195 0.226,1196 0.159,1197 0.333,1198 0.203,1199 0.157,1200 4.738,1201 0.225,1202 3.331,1204 6.986,1205 0.565,1206 4.27,1207 0.152,1208 3.304,1209 4.718,1211 11.872,1212 3.195,1213 1.944,1214 1.924,1215 2.03,1216 2.038,1217 1.163,1218 2.031,1219 1.779,1220 1.736,1221 1.855,1222 1.971,1223 0.937,1224 1.945,1225 1.437,1226 1.357,1227 1.661,1228 1.719,1229 0.717,1230 1.7,1231 1.196,1232 1.113,1233 1.514,1234 1.416,1235 0.552,1236 1.455,1237 0.909,1238 0.841,1239 1.182,1240 1.246,1241 0.174,1242 1.241,1243 0.883,1244 0.824,1245 1.143,1246 1.157,1247 0.094,1248 1.135,1249 0.784,1250 0.664,1251 1.057,1252 1.085,1254 1.1,1255 0.582,1256 0.486,1257 0.83,1258 0.877,1260 0.88,1261 3.761,1263 5.118,1264 2.398,1265 6.676,1266 4.844,1267 8.325,1268 7.05,1269 10.022,1271 3.638,1275 5.909,1276 9.813,1289 20.929,1290 52.179,1291 127.735,1292 143.735,1293 148.49,1294 148.49,1295 148.49,1296 25.655,1297 6.678,1298 89.85,1299 89.85,1300 17,1301 12.42,1302 4.087,1303 3.17,1304 27.62,1305 48,1306 49,1307 0.294,1308 130.767,1309 208.99,1310 310.831,1311 5776,1313 13.569,1314 0.714,1315 0.559,1316 13.569,1317 10.623,1318 9.075,1319 0.432,1320 0.277,1321 5.708,1322 8.675,1323 5.505,1324 4.611,1325 9.075,1326 5.808,1327 8.554,1328 0.276,1329 0.143,1330 8.554,1331 4.431,1332 7.462,1333 0.174,1334 0.073,1335 7.462,1336 3.132,1337 6.132,1338 0.106,1339 0.036,1340 6.132,1341 2.068,1342 5.125,1343 0.069,1344 0.019,1345 5.125,1346 1.416,1347 0.434,1348 57.294,1349 0.271,1350 18.374,1351 0.891,1352 104,1353 308.042,1354 114.874,1355 304.941,1356 424.95,1357 284,1358 126,1359 328.619,1360 137.957,1361 334.762,1362 489.42,1363 313,1364 5.049}
{0 CHEMBL1241299,1 1.829,2 7.105,3 2.181,4 4.756,5 76.714,6 11.04,7 0.762,8 3.531,9 3.645,10 3.42,11 3.086,12 4.802,13 3.094,14 3.97,15 4.121,16 3.868,17 3.477,18 5.215,19 3.472,20 4.125,21 4.263,22 4.063,23 3.582,24 5.425,25 3.561,26 4.183,27 4.364,28 3.731,29 3.517,30 5.422,31 3.464,32 4.1,33 4.305,34 3.531,35 3.37,36 5.284,37 3.318,38 4.054,39 4.274,40 3.603,41 3.264,42 5.254,43 3.193,44 3.945,45 4.209,46 3.597,47 3.067,48 5.163,49 2.921,50 3.49,51 3.723,52 3.553,53 2.599,54 4.721,55 2.427,56 0.124,57 0.486,58 2.012,59 2.149,60 11.324,61 2.144,62 0.218,63 0.739,64 5.883,65 3.6,66 14.95,67 3.883,68 0.274,69 0.822,70 11.789,71 4.61,72 23.044,73 4.422,74 0.34,75 0.848,76 20.033,77 5.131,78 27.994,79 5.351,80 0.299,81 0.754,82 7.418,83 4.101,84 24.32,85 4.676,86 0.328,87 0.683,88 9.123,89 3.879,90 27.967,91 4.301,92 0.359,93 0.511,94 15.895,95 4.797,96 39.005,97 6.113,98 0.297,99 0.276,100 12.589,101 3.012,102 33.939,103 2.986,104 17,105 31,106 0.346,107 0.779,108 0.844,109 0.875,110 0.875,111 0.875,112 3.013,113 0.899,114 -4.26,115 -4.2,116 -3.96,117 1,118 41.4,123 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 5,172 1,173 1,175 2,178 4,180 1,181 1,182 3,186 3,188 5,191 2,192 5,194 3,195 3,197 2,199 2,201 1,204 5,206 1,208 3,213 2,215 3,218 1,220 1,223 1,225 1,228 1,231 2,232 1,234 1,240 2,245 1,249 1,264 394,265 12.569,266 12.569,267 12.569,268 12.569,269 12.569,270 10.556,271 8.879,272 7.132,273 12.976,274 10.317,275 10.317,276 10.317,277 10.317,278 10.317,279 7.356,280 6.242,281 3.346,282 11.08,283 3.029,284 0.742,285 0.397,286 0.233,287 0.233,288 0.233,289 3.684,293 1,294 1,295 289,296 2,299 34.705,300 95.328,303 66.566,307 0.964,308 19.429,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 41.25,320 135,321 4.738,322 3.338,323 6.986,324 4.27,325 3.304,326 4.718,328 11.872,329 3.192,330 4.209,331 3.143,332 6.064,333 3.741,334 2.81,335 3.877,337 8.669,338 2.61,339 3.695,340 2.472,341 5.765,342 3.265,343 2.34,344 3.111,346 7.527,347 2.113,348 3.646,349 2.373,350 5.493,351 3.193,352 2.26,353 3.073,355 6.75,356 2.093,357 2.999,358 1.862,359 4.47,360 2.445,361 1.514,362 2.237,364 4.145,365 1.406,366 2.82,367 1.537,368 4.327,369 2.341,370 1.414,371 1.948,373 3.66,374 1.26,375 2.712,376 1.403,377 4.038,378 2.243,379 1.299,380 1.799,382 3.512,383 1.221,384 2.447,385 1.075,386 3.63,387 1.932,388 1.012,389 1.425,391 2.49,392 0.911,393 1.373,394 0.583,395 2.736,396 0.907,397 0.105,398 0.127,400 0.231,401 0.064,402 1.092,403 -0.08,404 2.442,405 0.668,406 -0.243,407 -0.306,409 -0.572,410 -0.222,411 0.791,412 -0.279,413 2.375,414 0.353,415 -0.593,416 -0.743,417 -1.502,418 -0.525,419 0.724,420 -0.494,421 2.277,422 0.288,423 -0.628,424 -0.825,425 -1.605,426 -0.573,427 0.373,428 -0.737,429 2.143,430 -0.034,431 -0.946,432 -1.214,433 -2.662,434 -0.725,435 -0.013,436 -1.141,437 1.79,438 -0.429,439 -1.336,440 -1.776,441 -3.402,442 -1.125,443 -0.047,444 -1.222,445 1.543,446 -0.444,447 -1.359,448 -1.812,449 -3.521,450 -1.219,451 9.667,452 0.509,453 0.597,454 0.031,455 27.75,456 1.461,457 15,458 0.789,459 12.75,460 0.671,461 13.108,462 0.69,463 19.133,464 0.66,465 17.417,466 0.917,467 5.307,468 0.279,469 3.769,470 0.198,471 0.266,473 0.403,478 0.98,479 1.157,480 0.47,481 0.666,482 1.116,483 0.691,484 0.786,485 0.9,486 0.55,487 0.591,488 0.596,489 0.594,490 1.009,491 1.27,492 0.958,493 1.058,494 0.947,495 0.967,496 0.948,497 1.017,498 1.075,499 1.152,500 0.894,501 1.177,502 0.997,503 1.161,504 0.38,505 0.812,506 0.813,507 1.05,508 1.089,509 1.037,510 0.603,511 0.891,512 1.245,513 1.094,514 0.573,515 0.789,516 0.785,517 0.855,518 0.667,519 0.912,520 1.752,521 0.726,522 1.631,523 1.181,524 2.271,525 1.065,526 4,528 2.889,529 1.917,530 1.477,531 0.549,532 0.445,533 0.293,534 0.057,535 0.016,536 2884,537 10601,538 2.05,539 34.5,541 6,543 1,544 3,549 1.609,550 1.869,551 2.832,552 1.251,554 1,556 1,558 53.033,559 1.829,560 4.116,561 4.461,562 4.625,563 4.625,564 4.625,565 2.189,566 3.932,567 4.222,568 2.909,569 497.47,570 7.218,571 4713.42,572 1,573 1,575 1,576 140.881,577 1.529,578 4.153,579 0.19,581 0.093,582 0.06,583 0.055,584 0.025,585 0.025,586 0.023,587 0.01,588 0.016,589 0.496,590 0.33,591 1,592 0.697,593 80.037,594 -0.155,595 -0.024,596 -0.01,597 0.066,598 -0.277,599 0.06,600 0.004,601 0.205,602 0.038,603 0.201,604 0.063,605 0.23,606 -0.092,607 -0.216,608 -0.036,609 -0.147,610 -0.051,611 -0.117,612 -0.051,613 0.015,614 -0.178,615 -0.247,616 -0.057,617 -0.285,618 -0.128,619 -0.162,620 -0.001,621 -0.07,622 0.006,623 -0.155,624 -0.134,625 -0.052,626 0.012,627 -0.07,628 -0.251,629 -0.169,630 0.454,631 -0.004,632 0.172,633 0.19,634 0.45,635 0.258,636 -0.15,637 -0.008,638 0.16,639 0.162,640 -0.329,641 0.13,642 1.522,643 3.766,644 0.789,645 11.014,646 1.025,647 1.131,648 3.028,649 9.167,650 0.728,651 3.091,652 3.466,653 3.784,654 4.078,655 4.317,656 4.357,657 4.431,658 4.511,659 4.431,660 4.234,661 4.302,662 0.704,663 320.17,664 3.091,665 4.654,666 5.533,667 6.441,668 7.343,669 8.255,670 9.165,671 10.079,672 10.992,673 11.908,674 17.2,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 29,718 16,719 1,720 21,721 1,722 31,723 12,724 11,725 3,726 3,728 3,729 4,740 11,741 1,757 1,760 10,761 5,762 3,763 7,764 1,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,822 1,823 1,827 19,828 1,832 1,849 1,850 3.4,852 1,858 10.167,859 5.56,860 4.083,861 1.499,863 3.173,864 1.475,865 0.998,866 2.916,867 9.852,868 3.401,869 4.123,870 4.811,871 5.476,872 6.051,873 6.405,874 6.833,875 7.274,876 7.504,877 7.702,878 0.8,879 32,880 6.94,881 2.976,882 7.89,883 12.908,884 10.476,885 2.39,886 45.417,890 82.398,891 61.057,892 130.862,894 42.683,897 107.011,898 125.081,899 84.908,900 8.396,902 61.326,903 106.404,904 21.966,905 2.328,906 70.627,907 45.954,908 82.398,909 145.965,910 42.683,912 45.954,913 82.398,914 42.683,917 14.867,918 80.864,919 50.234,920 45.954,921 82.398,922 127.591,923 107.011,926 82.398,927 15.614,928 47.22,929 45.954,930 125.815,931 82.398,932 127.591,933 107.011,935 0.599,936 0.365,937 0.195,938 0.111,939 17,940 8,941 0.032,942 1,943 1,944 1.133,945 3.017,946 148.002,947 0.133,948 15,949 80.711,954 12.388,955 4.473,956 1.969,957 1.344,958 125.815,959 6.629,960 12.553,964 2.55,965 1.641,966 75.581,967 317,968 29,980 29.716,981 32.788,983 0.376,984 0.847,985 0.918,986 0.952,987 0.952,988 0.952,989 4.644,990 1.012,991 5.557,992 3.512,993 4.143,994 4.808,996 6.435,997 4.013,998 5.911,999 0.105,1000 7.165,1001 2.49,1002 3.892,1003 4.808,1005 7.469,1006 3.678,1007 7.26,1008 -0.243,1009 8.873,1010 0.231,1011 5.802,1012 7.169,1014 10.614,1015 5.582,1016 8.649,1017 -0.593,1018 10.638,1019 -0.572,1020 6.347,1021 7.994,1023 12.492,1024 6.061,1025 10.07,1026 -0.628,1027 12.439,1028 -1.502,1029 7.779,1030 9.851,1032 15.177,1033 7.486,1034 11.515,1035 -0.946,1036 14.266,1037 -1.605,1038 8.679,1039 11.063,1041 17.408,1042 8.338,1043 12.979,1044 -1.336,1045 16.112,1046 -2.662,1047 9.938,1048 12.722,1050 19.945,1051 9.581,1052 3.304,1053 -1.359,1054 17.974,1055 -3.402,1056 10.995,1057 14.115,1059 22.322,1060 10.602,1061 2.81,1062 11.872,1063 19.848,1064 -3.521,1065 12.195,1066 15.698,1068 24.812,1069 11.78,1070 2.34,1071 8.669,1072 21.733,1073 4.718,1074 13.321,1075 17.174,1077 27.247,1078 12.876,1079 2.26,1080 7.527,1081 23.626,1082 3.877,1083 14.504,1084 18.729,1086 29.723,1087 14.034,1088 1.514,1089 6.75,1090 25.526,1091 3.111,1092 15.662,1093 20.243,1095 32.181,1096 15.162,1097 1.414,1098 4.145,1099 27.433,1100 3.073,1101 16.843,1102 21.79,1104 34.655,1105 16.316,1106 1.299,1107 3.66,1108 29.345,1109 2.237,1110 18.016,1111 23.322,1113 37.122,1114 17.459,1115 2879,1116 5611,1117 13.641,1118 21.12,1119 32.435,1120 32.882,1121 34.308,1122 32.156,1123 32.115,1124 44.629,1126 97.714,1127 29.74,1128 5.4,1129 5.338,1130 6.515,1131 5.342,1132 5.304,1133 7.718,1135 19.202,1136 5.192,1137 10.147,1138 1.545,1139 1.566,1140 1.634,1141 1.531,1142 1.529,1143 2.125,1145 4.653,1146 1.416,1147 4.121,1148 4.168,1149 6.88,1150 3.992,1151 6.469,1152 4.009,1153 3.833,1154 3.855,1155 4.098,1156 3.751,1157 5.257,1158 3.751,1159 3.389,1160 3.488,1161 3.694,1162 3.101,1163 4.879,1164 3.134,1165 3.085,1166 3.14,1167 3.297,1168 2.982,1169 4.618,1170 2.952,1171 2.937,1172 3.052,1173 2.948,1174 2.746,1175 4.45,1176 2.748,1177 2.914,1178 2.968,1179 2.805,1180 2.653,1181 3.84,1182 2.648,1183 2.69,1184 2.746,1185 2.684,1186 2.535,1187 3.614,1188 2.519,1189 2.223,1190 2.336,1191 2.421,1192 1.982,1193 3.532,1194 1.955,1195 0.226,1196 0.159,1197 0.333,1198 0.203,1199 0.157,1200 4.738,1201 0.225,1202 3.338,1204 6.986,1205 0.565,1206 4.27,1207 0.152,1208 3.304,1209 4.718,1211 11.872,1212 3.192,1213 1.924,1214 1.908,1215 1.971,1216 2.025,1217 1.124,1218 2.008,1219 1.766,1220 1.725,1221 1.836,1222 1.944,1223 0.91,1224 1.926,1225 1.411,1226 1.33,1227 1.63,1228 1.696,1229 0.666,1230 1.677,1231 1.032,1232 0.98,1233 1.191,1234 1.248,1235 0.226,1236 1.247,1237 0.883,1238 0.839,1239 1.148,1240 1.21,1241 0.13,1242 1.192,1243 0.83,1244 0.719,1245 1.097,1246 1.124,1248 1.129,1249 0.625,1250 0.559,1251 0.84,1252 0.877,1254 0.88,1255 0.486,1256 0.385,1257 0.708,1258 0.753,1260 0.769,1261 3.761,1263 5.118,1264 2.398,1265 6.676,1266 4.844,1267 8.325,1268 7.05,1269 10.022,1270 3.246,1271 1.789,1275 5.899,1276 9.766,1289 20.427,1290 53.033,1291 119.372,1292 129.372,1293 134.127,1294 134.127,1295 134.127,1296 25.963,1297 6.678,1298 89.85,1299 89.85,1300 17,1301 12.42,1302 4.087,1303 3.17,1304 27.62,1305 48,1306 49,1307 0.294,1308 133.088,1309 210.97,1310 316.495,1311 5776,1312 3.4,1313 13.569,1314 0.714,1315 0.61,1316 14.569,1317 11.587,1318 9.075,1319 0.432,1320 0.3,1321 5.446,1322 8.14,1323 5.261,1324 4.359,1325 9.653,1326 6.29,1327 8.554,1328 0.276,1329 0.16,1330 9.296,1331 4.95,1332 7.462,1333 0.174,1334 0.082,1335 8.32,1336 3.54,1337 6.132,1338 0.106,1339 0.038,1340 6.435,1341 2.218,1342 5.125,1343 0.069,1344 0.021,1345 5.514,1346 1.578,1347 0.434,1348 65.666,1349 0.271,1350 18.374,1351 0.891,1352 104,1353 326.697,1354 180.745,1355 358.324,1356 483.87,1357 332,1358 126,1359 342.352,1360 173.752,1361 359.884,1362 528,1363 337,1364 5.237}
{0 CHEMBL1241300,1 1.751,2 7.737,3 1.346,4 1.813,5 69.215,6 8.576,7 0.762,8 3.571,9 3.687,10 3.239,11 3.029,12 4.874,13 3.075,14 4,15 4.145,16 3.59,17 3.388,18 5.266,19 3.425,20 4.109,21 4.24,22 3.657,23 3.47,24 5.425,25 3.494,26 4.221,27 4.397,28 3.57,29 3.449,30 5.508,31 3.443,32 4.241,33 4.475,34 3.268,35 3.334,36 5.381,37 3.272,38 4.005,39 4.257,40 3.147,41 3.044,42 5.187,43 3.018,44 3.683,45 3.882,46 2.954,47 2.731,48 5.079,49 2.734,50 3.472,51 3.693,52 2.546,53 2.461,54 4.732,55 2.427,56 0.151,57 0.495,58 4.963,59 2.168,60 12.903,61 2.402,62 0.289,63 0.726,64 8.994,65 3.552,66 21.812,67 4.105,68 0.324,69 0.799,70 9.305,71 3.976,72 24.526,73 4.7,74 0.389,75 0.836,76 11.863,77 4.381,78 30.176,79 5.347,80 0.449,81 0.754,82 14.882,83 4.35,84 42.161,85 5.994,86 0.379,87 0.565,88 12.791,89 3.411,90 36.817,91 5.029,92 0.33,93 0.4,94 8.09,95 2.364,96 33.627,97 3.218,98 0.303,99 0.299,100 7.088,101 1.859,102 25.195,103 2.501,104 11,105 30,106 0.329,107 0.758,108 0.85,109 0.88,110 0.88,111 0.88,112 3.012,113 0.789,114 -3.09,115 -3.09,116 -2.97,118 40,123 1,138 3,139 2,140 2,143 1,144 1,145 1,148 1,158 1,159 1,160 1,163 1,167 3,170 2,171 4,172 1,173 1,175 4,178 3,180 1,182 3,184 2,186 4,188 3,191 1,192 5,194 2,195 3,196 1,197 3,198 1,199 1,201 1,204 5,207 1,208 3,213 2,215 3,218 2,220 1,225 1,227 1,231 2,232 1,234 1,239 2,242 1,243 1,264 391,265 12.939,266 12.939,267 12.939,268 12.939,269 12.939,270 11.023,271 8.238,272 7.432,273 13.367,274 10.271,275 10.271,276 10.271,277 10.271,278 10.271,279 7.385,280 7.292,281 3.387,282 10.869,283 3.156,284 0.875,285 0.384,286 0.225,287 0.225,288 0.225,289 3.688,293 1,294 1,295 316,296 2.121,299 35.739,300 98.131,303 68.362,307 1.147,308 21.046,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 42.5,320 147,321 4.671,322 3.267,323 6.887,324 4.208,325 3.236,326 4.629,327 0.86,328 11.502,329 3.146,330 4.221,331 3.084,332 6.092,333 3.782,334 2.829,335 3.886,337 8.797,338 2.692,339 3.704,340 2.454,341 5.745,342 3.306,343 2.354,344 3.108,346 7.604,347 2.233,348 3.421,349 2.067,350 5.034,351 2.917,352 1.992,353 2.807,355 5.677,356 1.84,357 3.008,358 1.928,359 4.473,360 2.471,361 1.543,362 2.248,364 4.195,365 1.428,366 2.847,367 1.533,368 4.146,369 2.408,370 1.461,371 1.978,373 3.644,374 1.377,375 2.56,376 1.145,377 3.811,378 2.019,379 1.079,380 1.589,382 2.693,383 1.011,384 2.197,385 0.972,386 3.317,387 1.723,388 0.776,389 1.074,391 1.827,392 0.731,393 1.76,394 0.76,395 2.931,396 1.435,397 0.547,398 0.648,400 0.975,401 0.482,402 1.048,403 0.199,404 2.523,405 0.644,406 -0.262,407 -0.311,409 -0.474,410 -0.234,411 0.966,412 -0.18,413 2.365,414 0.572,415 -0.332,416 -0.423,417 -0.744,418 -0.299,419 0.77,420 -0.443,421 2.204,422 0.342,423 -0.611,424 -0.804,425 -1.635,426 -0.578,427 0.53,428 -0.839,429 2,430 0.013,431 -0.938,432 -1.32,433 -2.474,434 -0.883,435 0.095,436 -1.146,437 1.887,438 -0.337,439 -1.255,440 -1.691,441 -3.306,442 -1.152,443 -0.077,444 -1.208,445 1.697,446 -0.444,447 -1.377,448 -1.834,449 -3.758,450 -1.29,451 8.667,452 0.456,453 0.469,454 0.025,455 28.5,456 1.5,457 15.5,458 0.816,459 13,460 0.684,461 10.716,462 0.564,463 20.133,464 0.671,465 18.944,466 0.997,467 5.858,468 0.308,469 3.345,470 0.176,471 0.142,473 0.404,478 1.034,479 1.159,480 0.728,481 0.923,482 1.109,483 0.771,484 1.019,485 0.925,486 0.701,487 0.79,488 0.73,489 0.692,490 0.885,491 1.362,492 0.836,493 1.202,494 0.866,495 1.049,496 0.998,497 1.106,498 1.088,499 1.207,500 0.955,501 1.191,502 1.053,503 1.014,504 1.208,505 1.043,506 1.26,507 1.136,508 0.879,509 0.893,510 0.843,511 0.84,512 1.057,513 0.821,514 0.915,515 1.025,516 0.993,517 1.124,518 0.812,519 1.098,520 1.161,521 0.707,522 1.256,523 0.933,524 1.314,525 1.09,526 3.5,527 0.012,528 2.667,529 1.5,530 1.237,531 0.469,532 0.384,533 0.234,534 0.113,535 0.026,536 3024,537 10100,538 2.081,539 36.7,541 6,543 1,544 4,549 1.605,550 1.932,551 2.942,552 2.09,554 1,555 1,556 1,558 52.524,559 1.751,560 4.031,561 4.523,562 4.682,563 4.682,564 4.682,565 2.439,566 4.037,567 4.22,568 3.022,569 516.742,570 7.2,571 4895.93,572 1,573 1,576 147.207,577 1.462,578 4.171,579 0.167,580 0.012,581 0.089,582 0.048,583 0.046,584 0.025,585 0.023,586 0.018,587 0.014,588 0.006,589 0.448,590 0.5,591 1,592 0.868,593 80.786,594 -0.179,595 0.017,596 -0.006,597 0.071,598 -0.263,599 0.081,600 -0.094,601 0.175,602 0.113,603 0.209,604 -0.009,605 0.208,606 0.025,607 -0.276,608 -0.045,609 -0.193,610 0.024,611 -0.149,612 -0.07,613 -0.067,614 -0.208,615 -0.251,616 -0.041,617 -0.28,618 -0.16,619 -0.096,620 -0.191,621 -0.084,622 -0.191,623 -0.13,624 0.076,625 -0.026,626 0.253,627 0.115,628 0.036,629 0.219,630 0.295,631 -0.116,632 0.041,633 -0.192,634 0.364,635 -0.155,636 0.118,637 0.164,638 -0.164,639 -0.017,640 -0.039,641 -0.135,642 1.627,643 3.81,644 0.789,645 11.723,646 1.027,647 1.139,648 1.864,649 3.475,650 0.674,651 3.091,652 3.434,653 3.761,654 4.043,655 4.22,656 4.29,657 4.382,658 4.477,659 4.419,660 4.29,661 4.532,662 0.671,663 257.28,664 3.091,665 4.635,666 5.509,667 6.405,668 7.296,669 8.198,670 9.096,671 10,672 10.901,673 11.806,674 16.7,678 1,682 1,684 3,689 2,690 4,691 3,692 1,695 5,697 16,708 1,713 1,714 1,716 30,718 16,719 1,720 21,722 32,723 12,724 11,725 3,726 3,728 3,729 4,740 11,741 1,757 1,760 11,761 6,762 4,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,823 1,827 19,828 1,832 1,835 1,850 6.7,852 1,855 1,858 9.833,859 5.633,860 4.222,861 1.494,863 3.196,864 1.478,865 0.985,866 2.815,867 9.877,868 3.401,869 4.09,870 4.78,871 5.435,872 5.973,873 6.338,874 6.774,875 7.227,876 7.453,877 7.714,878 1,879 31,880 6.927,881 2.957,882 7.956,883 12.765,884 10.2,885 2.456,886 46.667,890 82.398,891 65.732,892 99.794,894 53.683,897 65.732,898 136.081,899 99.794,900 10.883,902 61.326,903 104.689,904 48.999,905 5.085,906 70.627,908 82.398,909 165.527,910 53.683,913 84.113,914 53.683,917 25.282,918 88.296,919 50.234,921 82.398,922 153.477,923 65.732,926 82.398,927 17.802,928 47.93,929 16.663,930 136.814,931 82.398,932 153.477,933 65.732,935 0.585,936 0.364,937 0.201,938 0.1,939 16,940 7,941 0.063,942 2,943 1,944 1.133,945 3.08,946 145.221,947 0.133,948 15,949 80.711,954 11.896,955 4.496,956 1.909,957 1.116,958 136.814,959 6.376,960 12.024,961 2.851,964 2.16,966 92.244,967 301.608,968 29,980 30.814,981 34.156,983 0.357,984 0.822,985 0.922,986 0.954,987 0.954,988 0.954,989 4.625,990 0.776,991 5.509,992 2.693,993 4.111,994 4.775,995 0.908,996 6.368,997 4.011,998 5.869,999 0.547,1000 7.101,1001 1.827,1002 3.761,1003 4.691,1005 7.383,1006 3.63,1007 7.205,1008 -0.262,1009 8.795,1010 0.975,1011 5.746,1012 7.112,1013 0.739,1014 10.51,1015 5.575,1016 8.584,1017 -0.332,1018 10.549,1019 -0.474,1020 6.236,1021 7.888,1023 12.37,1024 6.038,1025 9.996,1026 -0.611,1027 12.341,1028 -0.744,1029 7.695,1030 9.765,1031 0.593,1032 15.024,1033 7.467,1034 11.432,1035 -0.938,1036 14.16,1037 -1.635,1038 8.558,1039 10.939,1041 17.223,1042 8.303,1043 12.887,1044 -1.255,1045 15.999,1046 -2.474,1047 9.82,1048 12.6,1049 0.469,1050 19.727,1051 9.539,1052 3.236,1053 -1.377,1054 17.852,1055 -3.306,1056 10.848,1057 13.962,1059 22.066,1060 10.54,1061 2.829,1062 11.502,1063 19.717,1064 -3.758,1065 12.038,1066 15.536,1067 0.366,1068 24.522,1069 11.705,1070 2.354,1071 8.797,1072 21.592,1073 4.629,1074 13.139,1075 16.985,1077 26.92,1078 12.779,1079 1.992,1080 7.604,1081 23.474,1082 3.886,1083 14.305,1084 18.526,1085 0.283,1086 29.362,1087 13.92,1088 1.543,1089 5.677,1090 25.363,1091 3.108,1092 15.438,1093 20.015,1095 31.784,1096 15.027,1097 1.461,1098 4.195,1099 27.258,1100 2.807,1101 16.599,1102 21.545,1103 0.217,1104 34.223,1105 16.163,1106 1.079,1107 3.644,1108 29.157,1109 2.248,1110 17.748,1111 23.053,1113 36.656,1114 17.286,1115 3000,1116 5574,1117 13.929,1118 20.222,1119 31.921,1120 31.979,1121 33.446,1122 31.656,1123 31.637,1124 43.935,1125 1.72,1126 93.825,1127 29.88,1128 5.344,1129 5.267,1130 6.432,1131 5.28,1132 5.236,1133 7.629,1134 1.72,1135 18.714,1136 5.146,1137 8.946,1138 1.52,1139 1.523,1140 1.593,1141 1.507,1142 1.507,1143 2.092,1144 0.082,1145 4.468,1146 1.423,1147 4.108,1148 4.153,1149 4.088,1150 3.976,1151 6.47,1152 3.997,1153 3.833,1154 3.856,1155 3.793,1156 3.708,1157 5.281,1158 3.727,1159 3.346,1160 3.43,1161 3.275,1162 3.066,1163 4.918,1164 3.106,1165 3.203,1166 3.285,1167 3.035,1168 2.895,1169 4.756,1170 2.914,1171 2.997,1172 3.107,1173 2.876,1174 2.746,1175 4.516,1176 2.751,1177 2.932,1178 2.971,1179 2.805,1180 2.691,1181 4.284,1182 2.727,1183 2.697,1184 2.761,1185 2.545,1186 2.524,1187 3.705,1188 2.523,1189 2.334,1190 2.437,1191 2.207,1192 2.03,1193 3.516,1194 2.061,1195 0.222,1196 0.156,1197 0.328,1198 0.2,1199 0.154,1200 4.671,1201 0.22,1202 3.267,1203 0.041,1204 6.887,1205 0.548,1206 4.208,1207 0.15,1208 3.236,1209 4.629,1210 0.86,1211 11.502,1212 3.146,1213 1.928,1214 1.911,1215 1.996,1216 2.032,1217 1.129,1218 2.019,1219 1.737,1220 1.701,1221 1.795,1222 1.924,1223 0.835,1224 1.89,1225 1.312,1226 1.245,1227 1.574,1228 1.65,1229 0.573,1230 1.603,1231 1.145,1232 1.053,1233 1.38,1234 1.475,1235 0.315,1236 1.483,1237 0.883,1238 0.839,1239 1.159,1240 1.244,1241 0.147,1242 1.23,1243 0.853,1244 0.767,1245 1.134,1246 1.141,1248 1.131,1249 0.784,1250 0.678,1251 0.983,1252 1.039,1254 1.033,1255 0.547,1256 0.479,1257 0.808,1258 0.789,1260 0.802,1261 3.761,1263 5.094,1264 2.398,1265 6.637,1266 4.727,1267 8.277,1268 6.862,1269 9.963,1271 1.492,1275 5.835,1276 9.81,1279 5.003,1289 20.117,1290 52.524,1291 120.942,1292 135.697,1293 140.452,1294 140.452,1295 140.452,1296 25.613,1297 6.681,1298 109.94,1299 109.94,1300 17,1301 12.326,1302 4.087,1303 3.17,1304 27.734,1305 51,1306 56,1307 0.278,1308 125.171,1309 200.48,1310 297.176,1311 5949,1313 13.405,1314 0.706,1315 0.531,1316 13.405,1317 10.084,1318 9.203,1319 0.438,1320 0.263,1321 5.394,1322 8.684,1323 5.28,1324 4.397,1325 9.203,1326 5.524,1327 8.206,1328 0.274,1329 0.131,1330 8.206,1331 3.943,1332 7.318,1333 0.174,1334 0.068,1335 7.318,1336 2.848,1337 6.305,1338 0.113,1339 0.035,1340 6.305,1341 1.933,1342 4.699,1343 0.07,1344 0.017,1345 4.699,1346 1.172,1347 0.417,1348 59.014,1349 0.268,1350 18.575,1351 0.819,1352 102,1353 344.466,1354 115.058,1355 332.153,1356 456.39,1357 310,1358 123,1359 343.802,1360 136.864,1361 348.171,1362 508.13,1363 325,1364 4.419}
{0 CHEMBL1241301,1 1.716,2 7.8,3 1.416,4 2.005,5 75.554,6 8.222,7 0.727,8 3.65,9 3.768,10 3.29,11 3.101,12 4.913,13 3.136,14 4.106,15 4.273,16 3.652,17 3.458,18 5.316,19 3.491,20 4.21,21 4.348,22 3.742,23 3.568,24 5.512,25 3.591,26 4.332,27 4.511,28 3.663,29 3.586,30 5.572,31 3.568,32 4.336,33 4.552,34 3.433,35 3.502,36 5.484,37 3.44,38 4.245,39 4.499,40 3.277,41 3.315,42 5.358,43 3.249,44 4.046,45 4.301,46 3.094,47 3.039,48 5.263,49 2.971,50 3.755,51 3.984,52 2.688,53 2.658,54 4.984,55 2.61,56 0.13,57 0.535,58 5.918,59 2.475,60 11.679,61 2.991,62 0.304,63 0.792,64 11.316,65 3.863,66 21.052,67 4.887,68 0.33,69 0.89,70 11.364,71 4.249,72 26.826,73 5.347,74 0.385,75 0.944,76 14.094,77 5.005,78 31.008,79 6.417,80 0.392,81 0.871,82 15.755,83 4.997,84 37.909,85 6.987,86 0.399,87 0.743,88 15.714,89 4.331,90 35.499,91 6.548,92 0.381,93 0.543,94 13.582,95 4.004,96 39.388,97 6.025,98 0.397,99 0.366,100 10.273,101 2.602,102 39.592,103 3.504,104 18,105 32,106 0.316,107 0.738,108 0.839,109 0.865,110 0.865,111 0.865,112 3.059,113 0.807,114 -3.37,115 -3.35,116 -3.21,118 39.4,123 2,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 6,172 1,173 1,175 2,178 3,180 1,181 1,182 5,184 1,186 2,188 3,191 2,192 6,194 3,195 3,197 2,199 1,201 1,204 5,206 1,208 3,213 2,214 1,215 3,218 1,220 1,225 1,227 1,231 2,232 1,234 1,239 2,242 1,243 1,264 458,265 13.439,266 13.439,267 13.439,268 13.439,269 13.439,270 11.478,271 11.4,272 7.65,273 13.881,274 10.755,275 10.755,276 10.755,277 10.755,278 10.755,279 7.782,280 9.792,281 3.491,282 11.395,283 3.328,284 1.038,285 0.493,286 0.349,287 0.349,288 0.349,289 3.733,292 1,293 1,294 1,295 333,296 2.236,299 37.987,300 103.463,303 72.626,307 1.14,308 21.742,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 44.5,320 156,321 4.738,322 3.335,323 6.986,324 4.271,325 3.304,326 4.718,327 0.86,328 11.873,329 3.194,330 4.232,331 3.102,332 6.121,333 3.798,334 2.844,335 3.895,337 8.886,338 2.708,339 3.716,340 2.472,341 5.837,342 3.321,343 2.369,344 3.126,346 7.831,347 2.246,348 3.647,349 2.373,350 5.499,351 3.194,352 2.26,353 3.078,355 6.768,356 2.107,357 3.01,358 1.933,359 4.503,360 2.472,361 1.545,362 2.25,364 4.261,365 1.429,366 2.847,367 1.538,368 4.327,369 2.409,370 1.463,371 1.978,373 3.688,374 1.377,375 2.712,376 1.405,377 4.147,378 2.244,379 1.299,380 1.799,382 3.626,383 1.224,384 2.462,385 1.143,386 3.633,387 1.966,388 1.04,389 1.447,391 2.508,392 0.96,393 1.766,394 0.918,395 2.952,396 1.452,397 0.571,398 0.663,400 0.994,401 0.498,402 1.094,403 0.2,404 2.597,405 0.679,406 -0.234,407 -0.289,409 -0.472,410 -0.213,411 0.967,412 -0.08,413 2.439,414 0.614,415 -0.285,416 -0.34,417 -0.586,418 -0.252,419 0.788,420 -0.407,421 2.278,422 0.346,423 -0.611,424 -0.759,425 -1.505,426 -0.572,427 0.702,428 -0.51,429 2.249,430 0.287,431 -0.629,432 -0.836,433 -1.676,434 -0.581,435 0.328,436 -0.875,437 2,438 -0.066,439 -1.031,440 -1.365,441 -2.915,442 -0.985,443 -0.035,444 -1.207,445 1.71,446 -0.429,447 -1.34,448 -1.777,449 -3.404,450 -1.217,451 9.167,452 0.458,453 0.559,454 0.028,455 29.25,456 1.463,457 15.5,458 0.775,459 13.75,460 0.688,461 12.167,462 0.608,463 21.433,464 0.649,465 20.496,466 1.025,467 5.99,468 0.299,469 3.624,470 0.181,471 0.189,473 0.425,478 0.989,479 1.309,480 0.736,481 1.049,482 1.094,483 0.867,484 1.056,485 0.887,486 0.672,487 0.682,488 0.7,489 0.601,490 0.965,491 1.331,492 0.859,493 1.103,494 0.911,495 0.977,496 1.004,497 1.086,498 1.089,499 1.167,500 0.976,501 1.159,502 0.999,503 1.174,504 1.176,505 1.17,506 1.139,507 1.205,508 0.832,509 0.949,510 1.035,511 0.992,512 1.045,513 1.026,514 0.622,515 0.922,516 0.802,517 1.058,518 0.681,519 0.995,520 1.538,521 0.704,522 1.296,523 0.915,524 1.931,525 1.051,526 4,527 0.012,528 2.889,529 2.042,530 1.517,531 0.611,532 0.445,533 0.293,534 0.138,535 0.026,536 3355,537 10676,538 2.048,539 39.4,541 9,543 1,544 3,549 1.622,550 1.875,551 2.934,552 1.201,554 1,556 1,558 56.644,559 1.716,560 4.006,561 4.552,562 4.696,563 4.696,564 4.696,565 2.423,566 4.322,567 4.294,568 3.034,569 576.49,570 7.358,571 5658.27,572 1,573 1,575 1,576 166.465,577 1.522,578 4.231,579 0.182,580 0.012,581 0.09,582 0.06,583 0.051,584 0.027,585 0.023,586 0.02,587 0.015,588 0.005,589 0.485,590 0.67,591 1,592 0.897,593 86.463,594 -0.124,595 -0.114,596 0.023,597 -0.027,598 -0.24,599 0.022,600 -0.089,601 0.218,602 0.198,603 0.302,604 0.026,605 0.314,606 -0.017,607 -0.197,608 -0.044,609 -0.105,610 0.008,611 -0.081,612 -0.077,613 -0.008,614 -0.214,615 -0.199,616 -0.062,617 -0.244,618 -0.138,619 -0.194,620 -0.234,621 -0.193,622 -0.112,623 -0.23,624 0.015,625 -0.014,626 -0.021,627 -0.054,628 -0.1,629 -0.034,630 0.373,631 -0.092,632 0.277,633 -0.079,634 0.407,635 0.05,636 -0.024,637 0.107,638 -0.173,639 0.002,640 -0.224,641 -0.106,642 1.626,643 3.879,644 0.75,645 12.89,646 1.021,647 1.139,648 2.136,649 4.562,650 0.666,651 3.135,652 3.497,653 3.829,654 4.127,655 4.344,656 4.407,657 4.5,658 4.585,659 4.564,660 4.394,661 4.595,662 0.656,663 271.31,664 3.135,665 4.691,666 5.572,667 6.479,668 7.38,669 8.292,670 9.2,671 10.115,672 11.027,673 11.943,674 15.2,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,714 1,716 33,718 16,719 1,720 22,722 35,723 13,724 11,725 3,726 3,728 3,729 4,740 11,741 2,756 1,757 1,760 13,761 6,762 3,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,823 2,827 20,828 1,832 1,835 1,850 6.1,852 1,855 1,858 10.667,859 6.583,860 4.417,861 1.672,863 3.178,864 1.469,865 0.97,866 3.044,867 9.96,868 3.434,869 4.139,870 4.835,871 5.501,872 6.067,873 6.432,874 6.871,875 7.311,876 7.569,877 7.786,878 1,879 34,880 7.308,881 3.101,882 7.908,883 13.547,884 10.801,885 2.408,886 48.167,890 117.711,891 74.129,892 84.908,894 53.683,897 74.129,898 171.394,899 84.908,900 19.279,902 61.326,903 106.404,904 35.154,905 2.328,906 105.94,908 117.711,909 159.037,910 53.683,913 117.711,914 53.683,917 14.867,918 93.935,919 50.234,921 117.711,922 138.591,923 74.129,926 117.711,927 17.802,928 58.103,930 136.814,931 117.711,932 138.591,933 74.129,935 0.59,936 0.368,937 0.204,938 0.108,939 17,940 8,941 0.057,942 2,943 1,944 1.133,945 3.114,946 157.769,947 0.133,948 15,949 86.439,954 12.844,955 4.74,956 2.026,957 1.308,958 136.814,959 6.444,960 12.555,964 2.139,965 1.629,966 75.581,967 330.431,968 30,980 33.698,981 37.571,983 0.34,984 0.794,985 0.902,986 0.931,987 0.931,988 0.931,989 4.673,990 1.04,991 5.587,992 3.626,993 4.174,994 4.824,995 0.908,996 6.466,997 4.071,998 5.93,999 0.571,1000 7.194,1001 2.508,1002 3.892,1003 4.808,1005 7.509,1006 3.751,1007 7.276,1008 -0.234,1009 8.901,1010 0.994,1011 5.832,1012 7.179,1013 0.739,1014 10.65,1015 5.651,1016 8.664,1017 -0.285,1018 10.666,1019 -0.472,1020 6.365,1021 8.001,1023 12.531,1024 6.148,1025 10.085,1026 -0.611,1027 12.468,1028 -0.586,1029 7.808,1030 9.859,1031 0.593,1032 15.21,1033 7.561,1034 11.53,1035 -0.629,1036 14.296,1037 -1.505,1038 8.703,1039 11.071,1041 17.438,1042 8.421,1043 12.994,1044 -1.031,1045 16.143,1046 -1.676,1047 9.965,1048 12.729,1049 0.469,1050 19.97,1051 9.655,1052 3.304,1053 -1.34,1054 18.005,1055 -2.915,1056 11.02,1057 14.122,1059 22.343,1060 10.676,1061 2.844,1062 11.873,1063 19.879,1064 -3.404,1065 12.219,1066 15.704,1067 0.366,1068 24.828,1069 11.847,1070 2.369,1071 8.886,1072 21.762,1073 4.718,1074 13.344,1075 17.18,1077 27.26,1078 12.94,1079 2.26,1080 7.831,1081 23.655,1082 3.895,1083 14.527,1084 18.734,1085 0.283,1086 29.734,1087 14.092,1088 1.545,1089 6.768,1090 25.554,1091 3.126,1092 15.683,1093 20.248,1095 32.19,1096 15.217,1097 1.463,1098 4.261,1099 27.46,1100 3.078,1101 16.863,1102 21.795,1103 0.217,1104 34.662,1105 16.366,1106 1.299,1107 3.688,1108 29.37,1109 2.25,1110 18.035,1111 23.326,1113 37.127,1114 17.506,1115 3354,1116 6078,1117 14.334,1118 21.983,1119 33.714,1120 33.765,1121 35.646,1122 33.4,1123 33.39,1124 45.909,1125 1.72,1126 100.868,1127 31.488,1128 5.411,1129 5.335,1130 6.527,1131 5.343,1132 5.304,1133 7.718,1134 1.72,1135 19.205,1136 5.194,1137 10.621,1138 1.532,1139 1.535,1140 1.62,1141 1.518,1142 1.518,1143 2.087,1144 0.078,1145 4.585,1146 1.431,1147 4.122,1148 4.169,1149 4.106,1150 3.984,1151 6.47,1152 4.007,1153 3.844,1154 3.865,1155 3.801,1156 3.722,1157 5.257,1158 3.74,1159 3.391,1160 3.489,1161 3.309,1162 3.099,1163 4.884,1164 3.136,1165 3.257,1166 3.321,1167 3.104,1168 3.002,1169 4.75,1170 3.015,1171 3.027,1172 3.108,1173 2.891,1174 2.807,1175 4.518,1176 2.808,1177 2.936,1178 3.037,1179 2.805,1180 2.746,1181 4.279,1182 2.747,1183 2.9,1184 2.967,1185 2.678,1186 2.586,1187 3.75,1188 2.603,1189 2.632,1190 2.7,1191 2.455,1192 2.458,1193 3.604,1194 2.451,1195 0.215,1196 0.152,1197 0.318,1198 0.194,1199 0.15,1200 4.738,1201 0.214,1202 3.335,1203 0.039,1204 6.986,1205 0.54,1206 4.271,1207 0.145,1208 3.304,1209 4.718,1210 0.86,1211 11.873,1212 3.194,1213 1.923,1214 1.907,1215 1.99,1216 2.032,1217 1.12,1218 2.015,1219 1.767,1220 1.726,1221 1.844,1222 1.963,1223 0.909,1224 1.934,1225 1.417,1226 1.338,1227 1.642,1228 1.713,1229 0.669,1230 1.689,1231 1.194,1232 1.117,1233 1.562,1234 1.504,1235 0.568,1236 1.523,1237 0.984,1238 0.914,1239 1.192,1240 1.247,1241 0.208,1242 1.244,1243 0.883,1244 0.838,1245 1.149,1246 1.195,1247 0.124,1248 1.174,1249 0.819,1250 0.701,1251 1.104,1252 1.12,1254 1.128,1255 0.609,1256 0.534,1257 0.845,1258 0.877,1260 0.88,1261 3.807,1263 5.153,1264 2.398,1265 6.708,1266 4.844,1267 8.357,1268 7.05,1269 10.055,1271 3.276,1275 5.91,1276 9.879,1279 5.027,1289 21.644,1290 56.644,1291 132.2,1292 150.2,1293 154.955,1294 154.955,1295 154.955,1296 28.132,1297 6.782,1298 99.08,1299 99.08,1300 17,1301 12.455,1302 4.087,1303 3.17,1304 29.816,1305 54,1306 62,1307 0.281,1308 134.763,1309 217.78,1310 320.581,1311 6609,1313 14.276,1314 0.714,1315 0.552,1316 14.276,1317 11.031,1318 9.613,1319 0.437,1320 0.269,1321 5.779,1322 9.06,1323 5.603,1324 4.685,1325 9.613,1326 5.921,1327 8.745,1328 0.273,1329 0.135,1330 8.745,1331 4.316,1332 7.735,1333 0.172,1334 0.069,1335 7.735,1336 3.102,1337 6.65,1338 0.109,1339 0.035,1340 6.65,1341 2.149,1342 5.225,1343 0.069,1344 0.018,1345 5.225,1346 1.381,1347 0.419,1348 61.638,1349 0.264,1350 19.36,1351 0.836,1352 108,1353 355.778,1354 121.752,1355 342.508,1356 472.85,1357 320,1358 131,1359 359.165,1360 146.058,1361 363.835,1362 532,1363 339,1364 5.138}
{0 CHEMBL1241390,1 1.501,2 6.474,3 1.276,4 1.627,5 74.406,6 7.707,7 0.762,8 3.623,9 3.765,10 3.228,11 3.122,12 4.797,13 3.123,14 4.109,15 4.305,16 3.587,17 3.484,18 5.209,19 3.474,20 4.278,21 4.492,22 3.64,23 3.578,24 5.36,25 3.556,26 4.359,27 4.6,28 3.634,29 3.589,30 5.476,31 3.549,32 4.276,33 4.496,34 3.467,35 3.545,36 5.323,37 3.486,38 4.224,39 4.439,40 3.347,41 3.474,42 5.363,43 3.387,44 4.296,45 4.595,46 2.802,47 3.285,48 5.244,49 3.101,50 3.986,51 4.367,52 1.851,53 2.767,54 4.608,55 2.459,56 0.054,57 0.565,58 6.422,59 2.413,60 8.517,61 3.405,62 0.162,63 0.851,64 11.904,65 3.901,66 16.824,67 5.746,68 0.171,69 0.964,70 14.61,71 4.28,72 16.853,73 6.574,74 0.322,75 0.994,76 16.768,77 4.845,78 30.401,79 7.368,80 0.207,81 0.922,82 14.682,83 4.33,84 19.693,85 6.545,86 0.19,87 0.86,88 13.704,89 4.578,90 26.647,91 6.737,92 0.252,93 0.74,94 17.548,95 4.794,96 37.126,97 7.668,98 0.215,99 0.42,100 15.125,101 4.203,102 26.721,103 6.903,104 11,105 30,106 0.277,107 0.684,108 0.798,109 0.821,110 0.821,111 0.821,112 3.013,113 0.868,114 -3.59,115 -3.56,116 -3.4,118 39.4,119 2,126 1,138 2,139 2,141 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 2,170 2,171 9,172 1,173 1,175 1,178 3,180 1,181 1,182 5,188 1,191 3,192 7,194 3,195 3,197 1,199 3,201 1,203 1,204 3,208 1,211 2,213 1,214 2,215 4,217 1,218 1,220 3,223 2,225 3,228 2,235 2,264 385,265 12.828,266 12.828,267 12.828,268 12.828,269 12.828,270 10.97,271 9.487,272 7.563,273 13.154,274 10.367,275 10.367,276 10.367,277 10.367,278 10.367,279 7.577,280 7.5,281 3.561,282 10.88,283 3.543,284 1.334,285 0.712,286 0.591,287 0.591,288 0.591,289 3.688,293 1,294 1,295 262,296 2.449,299 34.308,300 92.706,303 65.806,307 0.975,308 14.364,311 1,312 1,313 1,314 0.8,316 1,317 1,318 0.83,319 41,320 123,321 4.757,322 3.372,323 7.038,324 4.297,325 3.334,326 4.729,328 12.08,329 3.211,330 3.984,331 2.716,332 6.145,333 3.603,334 2.637,335 3.548,337 8.799,338 2.544,339 3.783,340 2.52,341 5.753,342 3.407,343 2.451,344 3.196,346 7.571,347 2.339,348 3.249,349 1.848,350 4.82,351 2.734,352 1.788,353 2.601,355 4.82,356 1.688,357 3.02,358 1.751,359 4.537,360 2.665,361 1.728,362 2.144,364 4.46,365 1.616,366 2.807,367 1.329,368 3.881,369 2.268,370 1.328,371 1.951,373 3.005,374 1.246,375 2.5,376 1,377 3.588,378 1.964,379 1,380 1.5,382 2.581,383 0.961,384 2.454,385 1,386 3.399,387 1.952,388 1,389 1.434,391 2.136,392 0.949,393 2.11,394 0.81,395 3.247,396 1.73,397 0.774,398 1.004,400 1.943,401 0.738,402 1.062,403 -0.151,404 2.525,405 0.629,406 -0.286,407 -0.363,409 -0.665,410 -0.261,411 0.829,412 -0.593,413 2.403,414 0.36,415 -0.593,416 -0.813,417 -1.439,418 -0.563,419 0.569,420 -0.809,421 2.25,422 0.061,423 -0.868,424 -1,425 -2,426 -0.804,427 0.5,428 -1,429 1.936,431 -1,432 -1.155,433 -2.346,434 -0.974,435 0.15,436 -1,437 1.67,438 -0.026,439 -1,440 -1.5,441 -2.347,442 -1,444 -1.148,445 1.555,446 -0.259,447 -1.219,448 -1.661,449 -3.332,450 -1.165,451 8.9,452 0.468,453 0.49,454 0.026,455 27.5,456 1.447,457 14.5,458 0.763,459 13,460 0.684,461 12.653,462 0.666,463 19.9,464 0.603,465 17.479,466 0.92,467 5.298,468 0.279,469 3.884,470 0.204,471 0.157,473 0.382,478 0.894,479 1.382,480 0.756,481 1.078,482 1.077,483 0.924,484 0.86,485 1.105,486 0.706,487 0.877,488 0.673,489 0.784,490 1.163,491 1.25,492 0.876,493 0.963,494 0.846,495 0.887,496 0.957,497 0.859,498 0.888,499 0.835,500 0.92,501 0.848,502 1.335,503 1.122,504 1.21,505 1.091,506 1.086,507 1.123,508 0.994,509 1.223,510 1.279,511 1.39,512 1.153,513 1.383,514 1.269,515 0.93,516 1.359,517 1.137,518 1.613,519 1.242,520 0.746,521 0.422,522 0.873,523 0.656,524 0.84,525 0.764,526 3,528 2.222,529 1.792,530 1.424,531 0.716,532 0.3,533 0.142,534 0.041,536 2820,537 7513,538 2.081,539 42.4,541 3,543 3,544 2,546 6,549 1.613,550 1.932,551 2.728,552 0.445,554 1,556 1,558 49.547,559 1.501,560 3.711,561 4.332,562 4.453,563 4.453,564 4.453,565 2.149,566 3.577,567 4.22,568 2.818,569 481.911,570 7.235,571 4623.41,572 1,573 1,576 166.465,577 1.462,578 4.171,579 0.143,581 0.074,582 0.058,583 0.047,584 0.029,585 0.014,586 0.014,587 0.014,589 0.393,590 0.67,591 1,592 0.868,593 79.583,594 0.007,595 -0.172,596 0.056,597 -0.061,598 -0.168,599 -0.005,600 0.134,601 0.002,602 0.192,603 0.102,604 0.149,605 0.148,606 -0.116,607 -0.18,608 0.048,609 -0.012,610 0.008,611 0.036,612 0.164,613 0.172,614 0.078,615 0.092,616 0.143,617 0.074,618 -0.289,619 -0.057,620 -0.291,621 -0.146,622 -0.177,623 -0.207,624 -0.044,625 -0.175,626 -0.374,627 -0.418,628 -0.034,629 -0.446,630 -0.284,631 -0.077,632 -0.327,633 -0.192,634 -0.394,635 -0.255,636 0.059,637 0.203,638 0.282,639 0.347,640 0.051,641 0.351,642 1.226,643 1.983,644 0.789,645 11.252,646 1.004,647 1.141,648 2.359,649 5.565,650 0.669,651 3.091,652 3.434,653 3.761,654 4.094,655 4.344,656 4.431,657 4.466,658 4.477,659 4.331,660 4.19,661 4.163,662 0.644,663 254.33,664 3.091,665 4.635,666 5.509,667 6.415,668 7.319,669 8.237,670 9.151,671 10.073,672 10.992,673 11.915,674 18.2,678 1,682 1,684 4,689 2,690 5,691 4,695 3,696 1,697 16,708 1,716 33,718 16,720 21,722 35,723 13,724 10,728 3,729 4,732 2,738 1,740 10,741 3,757 1,760 14,761 5,762 2,763 6,769 6,775 0.667,785 1,787 1,788 1,793 1,794 2,797 1,819 2,823 2,827 19,828 1,837 1,858 9.833,859 6.583,860 4.167,861 1.962,863 3.1,864 1.467,865 0.996,866 2.822,867 9.736,868 3.401,869 4.073,870 4.774,871 5.467,872 6.046,873 6.416,874 6.836,875 7.237,876 7.412,877 7.635,878 1,879 31,880 6.95,881 2.917,882 7.693,883 13.205,884 10.65,885 2.193,886 41.667,887 0.001,890 141.253,891 75.875,892 101.693,897 75.875,898 141.253,899 101.693,900 17.65,902 51.85,903 104.048,904 37.005,905 2.328,906 105.94,908 141.253,909 177.568,913 70.627,914 70.627,917 50.612,918 59.936,919 67.02,921 141.253,922 101.693,923 75.875,926 141.253,927 12.559,928 65.093,930 99.917,931 141.253,932 101.693,933 75.875,935 0.583,936 0.35,937 0.205,938 0.121,939 16,940 7,941 0.057,942 2,943 1,944 1.133,945 3.035,946 147.921,947 0.133,948 15,949 78.711,954 11.908,955 4.503,956 1.913,957 1.533,958 99.917,959 8.774,960 17.092,964 2.124,965 1.857,966 32.897,967 318.821,968 29,980 33.145,981 37.651,983 0.298,984 0.736,985 0.859,986 0.883,987 0.883,988 0.883,989 4.625,990 1,991 5.509,992 2.581,993 4.111,994 4.758,996 6.385,997 4.021,998 5.861,999 0.774,1000 7.106,1001 2.136,1002 3.761,1003 4.62,1005 7.441,1006 3.648,1007 7.188,1008 -0.286,1009 8.812,1010 1.943,1011 5.746,1012 7.079,1014 10.614,1015 5.578,1016 8.563,1017 -0.593,1018 10.583,1019 -0.665,1020 6.256,1021 7.848,1023 12.544,1024 6.065,1025 9.975,1026 -0.868,1027 12.396,1028 -1.439,1029 7.73,1030 9.758,1032 15.246,1033 7.491,1034 11.418,1035 -1,1036 14.238,1037 -2,1038 8.626,1039 10.957,1041 17.515,1042 8.36,1043 12.884,1044 -1,1045 16.101,1046 -2.346,1047 9.91,1048 12.644,1050 20.068,1051 9.603,1052 3.334,1053 -1.219,1054 17.98,1055 -2.347,1056 10.978,1057 14.042,1059 22.472,1060 10.638,1061 2.637,1062 12.08,1063 19.871,1064 -3.332,1065 12.197,1066 15.643,1068 24.979,1069 11.818,1070 2.451,1071 8.799,1072 21.771,1073 4.729,1074 13.339,1075 17.129,1077 27.435,1078 12.924,1079 1.788,1080 7.571,1081 23.68,1082 3.548,1083 14.539,1084 18.698,1086 29.929,1087 14.087,1088 1.728,1089 4.82,1090 25.594,1091 3.196,1092 15.713,1093 20.222,1095 32.405,1096 15.224,1097 1.328,1098 4.46,1099 27.514,1100 2.601,1101 16.91,1102 21.78,1104 34.896,1105 16.384,1106 1,1107 3.005,1108 29.438,1109 2.144,1110 18.099,1111 23.32,1113 37.381,1114 17.536,1115 2816,1116 4710,1117 13.929,1118 22.08,1119 32.471,1120 32.004,1121 33.388,1122 32.095,1123 32.08,1124 44.216,1126 94.79,1127 30.586,1128 5.411,1129 5.372,1130 6.84,1131 5.369,1132 5.334,1133 7.729,1135 19.528,1136 5.155,1137 8.694,1138 1.546,1139 1.524,1140 1.59,1141 1.528,1142 1.528,1143 2.106,1145 4.514,1146 1.456,1147 4.127,1148 4.177,1149 4.11,1150 3.976,1151 5.258,1152 4.003,1153 3.793,1154 3.842,1155 3.734,1156 3.665,1157 4.93,1158 3.677,1159 3.576,1160 3.654,1161 3.445,1162 3.405,1163 4.807,1164 3.398,1165 3.193,1166 3.281,1167 3.099,1168 2.967,1169 4.492,1170 2.994,1171 2.999,1172 3.11,1173 2.878,1174 2.694,1175 4.083,1176 2.73,1177 2.874,1178 3.009,1179 2.642,1180 2.618,1181 3.812,1182 2.619,1183 2.79,1184 2.868,1185 2.581,1186 2.618,1187 3.71,1188 2.57,1189 2.704,1190 2.789,1191 2.499,1192 2.485,1193 3.495,1194 2.498,1195 0.227,1196 0.161,1197 0.335,1198 0.205,1199 0.159,1200 4.757,1201 0.225,1202 3.372,1204 7.038,1205 0.575,1206 4.297,1207 0.153,1208 3.334,1209 4.729,1211 12.08,1212 3.211,1213 1.897,1214 1.867,1215 1.972,1216 2.035,1217 1.149,1218 2.013,1219 1.778,1220 1.723,1221 1.941,1222 1.97,1223 1.044,1224 1.961,1225 1.6,1226 1.534,1227 1.765,1228 1.802,1229 0.791,1230 1.803,1231 1.132,1232 1.067,1233 1.417,1234 1.4,1235 0.469,1236 1.372,1237 0.934,1238 0.804,1239 1.273,1240 1.239,1241 0.292,1242 1.308,1243 0.88,1244 0.784,1245 1.167,1246 1.218,1247 0.05,1248 1.21,1249 0.764,1250 0.682,1251 1.007,1252 1.063,1253 0.011,1254 1.058,1255 0.723,1256 0.624,1257 0.989,1258 0.981,1260 0.996,1261 3.761,1263 5.094,1264 2.398,1265 6.637,1266 4.844,1267 8.279,1268 7.081,1269 9.973,1271 4.107,1275 5.983,1281 0.197,1289 21.236,1290 49.547,1291 122.449,1292 142.955,1293 146.955,1294 146.955,1295 146.955,1296 22.478,1297 6.636,1298 82.51,1299 82.51,1300 17,1301 12.422,1302 4.087,1303 3.17,1304 27.467,1305 47,1306 46,1307 0.305,1308 133.565,1309 211.2,1310 317.658,1311 5376,1313 13.405,1314 0.706,1315 0.567,1316 13.405,1317 10.778,1318 9.182,1319 0.437,1320 0.289,1321 5.977,1322 8.782,1323 5.78,1324 4.858,1325 9.182,1326 6.073,1327 8.355,1328 0.278,1329 0.153,1330 8.355,1331 4.586,1332 7.049,1333 0.168,1334 0.07,1335 7.049,1336 2.942,1337 6.203,1338 0.105,1339 0.035,1340 6.203,1341 2.06,1342 5.143,1343 0.068,1344 0.018,1345 5.143,1346 1.394,1347 0.444,1348 57.732,1349 0.268,1350 18.312,1351 0.952,1352 102,1353 289.538,1354 112.824,1355 287.703,1356 406.85,1357 270,1358 123,1359 319.406,1360 135.129,1361 323.569,1362 474.89,1363 304,1364 4}
{0 CHEMBL1241391,1 1.538,2 6.474,3 0.647,4 0.419,5 73.259,6 7.979,7 0.762,8 3.606,9 3.751,10 3.238,11 3.071,12 4.813,13 3.09,14 4.088,15 4.291,16 3.593,17 3.432,18 5.224,19 3.44,20 4.228,21 4.433,22 3.643,23 3.53,24 5.346,25 3.525,26 4.341,27 4.586,28 3.639,29 3.546,30 5.484,31 3.52,32 4.242,33 4.459,34 3.478,35 3.494,36 5.321,37 3.449,38 4.19,39 4.409,40 3.364,41 3.407,42 5.391,43 3.334,44 4.25,45 4.554,46 2.812,47 3.181,48 5.231,49 3.017,50 3.9,51 4.294,52 1.823,53 2.59,54 4.588,55 2.327,56 0.073,57 0.563,58 5.901,59 2.13,60 8.704,61 3.044,62 0.228,63 0.831,64 11.398,65 3.431,66 20.264,67 5.121,68 0.194,69 0.927,70 13.093,71 3.798,72 15.843,73 5.869,74 0.38,75 0.951,76 16.249,77 4.446,78 33.318,79 6.846,80 0.251,81 0.881,82 13.541,83 3.924,84 19.531,85 5.949,86 0.269,87 0.808,88 12.786,89 4.235,90 31.232,91 6.198,92 0.3,93 0.653,94 16.943,95 4.081,96 37.118,97 6.867,98 0.305,99 0.338,100 14.824,101 3.038,102 31.89,103 5.476,104 11,105 30,106 0.285,107 0.674,108 0.756,109 0.768,110 0.779,111 0.779,112 3.013,113 0.846,114 -3.37,115 -3.35,116 -3.21,118 37.5,119 2,126 1,139 2,141 2,142 1,143 1,144 2,156 1,158 1,159 1,160 1,161 1,170 3,171 9,172 1,173 1,175 1,178 2,180 1,181 1,182 3,191 4,192 6,194 3,195 3,197 1,199 2,201 1,203 2,211 2,214 4,215 2,217 2,218 2,220 2,225 2,228 4,264 385,265 12.828,266 12.828,267 12.828,268 12.828,269 12.828,270 10.97,271 9.487,272 7.563,273 13.222,274 10.367,275 10.367,276 10.367,277 10.367,278 10.367,279 7.577,280 7.5,281 3.561,282 10.98,283 3.462,284 1.364,285 0.922,286 0.86,287 0.797,288 0.797,289 3.688,293 1,294 1,295 262,296 2.449,299 34.308,300 92.706,303 65.806,307 0.975,308 15.896,311 1,312 1,313 1,314 0.8,316 1,317 1,318 0.83,319 41.5,320 123,321 4.757,322 3.372,323 7.038,324 4.296,325 3.334,326 4.729,328 12.08,329 3.21,330 3.984,331 2.716,332 6.145,333 3.599,334 2.637,335 3.548,337 8.799,338 2.532,339 3.783,340 2.52,341 5.753,342 3.404,343 2.451,344 3.196,346 7.571,347 2.334,348 3.249,349 1.848,350 4.82,351 2.717,352 1.788,353 2.601,355 4.82,356 1.661,357 3.02,358 1.751,359 4.537,360 2.657,361 1.728,362 2.144,364 4.46,365 1.599,366 2.807,367 1.329,368 3.881,369 2.251,370 1.328,371 1.951,373 3.005,374 1.223,375 2.5,376 1,377 3.588,378 1.955,379 1,380 1.5,382 2.581,383 0.952,384 2.454,385 1,386 3.399,387 1.917,388 1,389 1.434,391 2.136,392 0.916,393 2.11,394 0.81,395 3.247,396 1.726,397 0.774,398 1.004,400 1.943,401 0.735,402 1.062,403 -0.151,404 2.525,405 0.628,406 -0.286,407 -0.363,409 -0.665,410 -0.261,411 0.829,412 -0.593,413 2.403,414 0.338,415 -0.593,416 -0.813,417 -1.439,418 -0.55,419 0.569,420 -0.809,421 2.25,422 0.053,423 -0.868,424 -1,425 -2,426 -0.798,427 0.5,428 -1,429 1.936,431 -1,432 -1.155,433 -2.346,434 -0.946,435 0.15,436 -1,437 1.67,438 -0.049,439 -1,440 -1.5,441 -2.347,442 -1,444 -1.148,445 1.555,446 -0.269,447 -1.219,448 -1.661,449 -3.332,450 -1.155,451 8.8,452 0.463,453 0.49,454 0.026,455 28,456 1.474,457 14.5,458 0.763,459 13.5,460 0.711,461 12.406,462 0.653,463 20,464 0.625,465 17.726,466 0.933,467 5.375,468 0.283,469 3.806,470 0.2,471 0.159,473 0.386,478 0.915,479 1.516,480 0.724,481 1.141,482 1.041,483 0.934,484 0.893,485 1.02,486 0.688,487 0.787,488 0.703,489 0.712,490 1.094,491 1.358,492 0.86,493 1.053,494 0.805,495 0.934,496 0.907,497 0.804,498 0.867,499 0.801,500 0.891,501 0.822,502 1.209,503 1.163,504 1.193,505 1.163,506 1.042,507 1.173,508 0.804,509 1.108,510 1.234,511 1.409,512 1.056,513 1.406,514 1.254,515 1.001,516 1.329,517 1.154,518 1.513,519 1.24,520 1.164,521 0.199,522 0.963,523 0.328,524 1.133,525 0.561,526 3,528 2.222,529 1.792,530 1.424,531 0.716,532 0.3,533 0.142,534 0.041,536 2820,537 8067,538 2.081,539 40.6,541 1,543 4,544 2,546 6,549 1.613,550 1.932,551 2.728,552 0.497,554 1,556 1,558 49.223,559 1.538,560 3.636,561 4.078,562 4.14,563 4.203,564 4.203,565 2.149,566 3.577,567 4.22,568 2.818,569 481.911,570 7.235,571 4623.41,573 1,576 160,577 1.462,578 4.171,579 0.143,581 0.074,582 0.058,583 0.047,584 0.029,585 0.014,586 0.014,587 0.014,589 0.393,590 0.67,591 1,592 0.868,593 79.583,594 -0.039,595 -0.288,596 0.057,597 -0.117,598 -0.157,599 -0.028,600 0.102,601 0.089,602 0.202,603 0.186,604 0.139,605 0.209,606 -0.133,607 -0.276,608 0.029,609 -0.077,610 0.001,611 -0.005,612 0.155,613 0.204,614 0.097,615 0.134,616 0.14,617 0.109,618 -0.228,619 -0.099,620 -0.294,621 -0.203,622 -0.166,623 -0.253,624 0.136,625 -0.059,626 -0.334,627 -0.434,628 0.061,629 -0.469,630 -0.261,631 -0.191,632 -0.263,633 -0.216,634 -0.337,635 -0.237,636 -0.136,637 0.379,638 0.287,639 0.605,640 -0.075,641 0.541,642 1.254,643 1.963,644 0.789,645 11.252,646 1.011,647 1.148,648 2.14,649 4.58,650 0.666,651 3.091,652 3.434,653 3.761,654 4.094,655 4.344,656 4.431,657 4.466,658 4.477,659 4.331,660 4.19,661 4.163,662 0.648,663 255.32,664 3.091,665 4.635,666 5.509,667 6.415,668 7.319,669 8.237,670 9.151,671 10.073,672 10.992,673 11.915,674 21.9,678 1,682 1,684 5,689 2,690 4,691 5,695 3,696 1,697 16,708 1,716 32,718 16,720 21,722 34,723 12,724 9,728 3,729 4,732 2,738 1,740 9,741 3,757 1,760 13,761 6,762 2,763 7,769 7,775 0.667,785 1,788 2,793 1,794 2,797 1,819 2,823 2,827 19,828 1,837 1,858 9.833,859 6.45,860 4.167,861 1.873,863 3.1,864 1.467,865 0.991,866 2.785,867 9.736,868 3.401,869 4.073,870 4.774,871 5.467,872 6.046,873 6.416,874 6.836,875 7.237,876 7.412,877 7.635,878 1,879 31,880 6.936,881 2.908,882 7.746,883 13.076,884 10.467,885 2.246,886 42.667,887 0.001,890 129.482,891 65.541,892 118.479,897 65.541,898 129.482,899 118.479,900 17.65,902 32.897,903 132.605,904 45.624,905 2.328,906 82.398,908 129.482,909 184.02,913 58.856,914 70.627,917 59.231,918 40.984,919 83.805,921 129.482,922 118.479,923 65.541,926 129.482,927 12.559,928 54.759,930 116.702,931 129.482,932 118.479,933 65.541,935 0.583,936 0.35,937 0.205,938 0.121,939 16,940 7,941 0.059,942 2,943 1,944 1.133,945 3.035,946 147.921,947 0.133,948 15,949 74.711,954 11.846,955 4.466,956 1.893,957 1.465,958 116.702,959 6.326,960 20.91,964 1.923,965 1.829,966 32.897,967 313.502,968 29,980 32.363,981 36.734,983 0.308,984 0.727,985 0.816,986 0.828,987 0.841,988 0.841,989 4.625,990 1,991 5.509,992 2.581,993 4.111,994 4.758,996 6.385,997 4.007,998 5.861,999 0.774,1000 7.106,1001 2.136,1002 3.761,1003 4.62,1005 7.441,1006 3.648,1007 7.188,1008 -0.286,1009 8.812,1010 1.943,1011 5.746,1012 7.079,1014 10.614,1015 5.56,1016 8.563,1017 -0.593,1018 10.583,1019 -0.665,1020 6.256,1021 7.848,1023 12.544,1024 6.063,1025 9.975,1026 -0.868,1027 12.396,1028 -1.439,1029 7.73,1030 9.758,1032 15.246,1033 7.476,1034 11.418,1035 -1,1036 14.238,1037 -2,1038 8.626,1039 10.957,1041 17.515,1042 8.355,1043 12.884,1044 -1,1045 16.101,1046 -2.346,1047 9.91,1048 12.644,1050 20.068,1051 9.59,1052 3.334,1053 -1.219,1054 17.98,1055 -2.347,1056 10.978,1057 14.042,1059 22.472,1060 10.631,1061 2.637,1062 12.08,1063 19.871,1064 -3.332,1065 12.197,1066 15.643,1068 24.979,1069 11.807,1070 2.451,1071 8.799,1072 21.771,1073 4.729,1074 13.339,1075 17.129,1077 27.435,1078 12.917,1079 1.788,1080 7.571,1081 23.68,1082 3.548,1083 14.539,1084 18.698,1086 29.929,1087 14.078,1088 1.728,1089 4.82,1090 25.594,1091 3.196,1092 15.713,1093 20.222,1095 32.405,1096 15.217,1097 1.328,1098 4.46,1099 27.514,1100 2.601,1101 16.91,1102 21.78,1104 34.896,1105 16.375,1106 1,1107 3.005,1108 29.438,1109 2.144,1110 18.099,1111 23.32,1113 37.381,1114 17.527,1115 2816,1116 4882,1117 13.929,1118 21.324,1119 32.471,1120 32.004,1121 33.388,1122 32.072,1123 32.08,1124 44.216,1126 94.79,1127 30.324,1128 5.411,1129 5.372,1130 6.84,1131 5.369,1132 5.334,1133 7.729,1135 19.528,1136 5.115,1137 8.694,1138 1.546,1139 1.524,1140 1.59,1141 1.527,1142 1.528,1143 2.106,1145 4.514,1146 1.444,1147 4.125,1148 4.175,1149 4.109,1150 3.965,1151 5.261,1152 3.995,1153 3.758,1154 3.819,1155 3.711,1156 3.58,1157 5.013,1158 3.605,1159 3.575,1160 3.654,1161 3.445,1162 3.402,1163 4.836,1164 3.397,1165 3.183,1166 3.275,1167 3.091,1168 2.924,1169 4.497,1170 2.962,1171 2.996,1172 3.107,1173 2.876,1174 2.682,1175 4.084,1176 2.722,1177 2.874,1178 3.009,1179 2.589,1180 2.618,1181 3.962,1182 2.57,1183 2.713,1184 2.793,1185 2.56,1186 2.522,1187 3.727,1188 2.529,1189 2.679,1190 2.776,1191 2.499,1192 2.423,1193 3.514,1194 2.442,1195 0.227,1196 0.161,1197 0.335,1198 0.205,1199 0.159,1200 4.757,1201 0.225,1202 3.372,1204 7.038,1205 0.575,1206 4.296,1207 0.153,1208 3.334,1209 4.729,1211 12.08,1212 3.21,1213 1.872,1214 1.838,1215 1.953,1216 2.033,1217 1.148,1218 2.006,1219 1.747,1220 1.686,1221 1.899,1222 1.959,1223 0.992,1224 1.94,1225 1.577,1226 1.51,1227 1.729,1228 1.795,1229 0.695,1230 1.789,1231 1.093,1232 1.017,1233 1.417,1234 1.393,1235 0.469,1236 1.361,1237 0.934,1238 0.804,1239 1.237,1240 1.239,1241 0.163,1242 1.308,1243 0.856,1244 0.761,1245 1.123,1246 1.209,1247 0.033,1248 1.193,1249 0.758,1250 0.657,1251 0.99,1252 1.056,1254 1.047,1255 0.618,1256 0.524,1257 0.921,1258 0.912,1260 0.918,1261 3.761,1263 5.094,1264 2.398,1265 6.637,1266 4.844,1267 8.279,1268 7.081,1269 9.973,1271 4.075,1275 5.963,1281 0.176,1289 20.73,1290 49.223,1291 116.349,1292 130.49,1293 132.49,1294 134.49,1295 134.49,1296 22.481,1297 6.636,1298 95.4,1299 95.4,1300 17,1301 12.422,1302 4.087,1303 3.17,1304 27.467,1305 47,1306 46,1307 0.305,1308 130.767,1309 204.9,1310 310.831,1311 5376,1313 13.405,1314 0.706,1315 0.56,1316 13.405,1317 10.647,1318 9.182,1319 0.437,1320 0.282,1321 5.809,1322 8.712,1323 5.624,1324 4.728,1325 9.182,1326 5.923,1327 8.355,1328 0.278,1329 0.149,1330 8.355,1331 4.472,1332 7.049,1333 0.168,1334 0.068,1335 7.049,1336 2.841,1337 6.203,1338 0.105,1339 0.034,1340 6.203,1341 1.979,1342 5.143,1343 0.068,1344 0.017,1345 5.143,1346 1.328,1347 0.444,1348 58.232,1349 0.268,1350 18.312,1351 0.952,1352 102,1353 309.183,1354 114.267,1355 305.209,1356 428.33,1357 286,1358 123,1359 333.518,1360 136.627,1361 337.857,1362 494.25,1363 316,1364 4}
{0 CHEMBL1241439,1 1.716,2 7.25,3 1.581,4 2.499,5 75.545,6 8.222,7 0.682,8 3.642,9 3.762,10 3.289,11 3.11,12 4.887,13 3.139,14 4.132,15 4.301,16 3.663,17 3.474,18 5.306,19 3.499,20 4.275,21 4.461,22 3.698,23 3.535,24 5.478,25 3.548,26 4.391,27 4.603,28 3.727,29 3.553,30 5.644,31 3.556,32 4.254,33 4.448,34 3.529,35 3.508,36 5.395,37 3.475,38 4.222,39 4.402,40 3.443,41 3.425,42 5.451,43 3.39,44 4.295,45 4.552,46 3,47 3.275,48 5.376,49 3.16,50 3.961,51 4.277,52 2.502,53 2.845,54 5.096,55 2.639,56 0.107,57 0.539,58 5.719,59 2.51,60 8.553,61 3.102,62 0.272,63 0.818,64 11.401,65 4.06,66 26.001,67 5.293,68 0.33,69 0.91,70 13.492,71 4.191,72 21.07,73 5.802,74 0.573,75 0.95,76 16.964,77 4.838,78 51.536,79 6.728,80 0.386,81 0.857,82 13.273,83 4.257,84 29.999,85 5.895,86 0.311,87 0.796,88 12.733,89 4.427,90 28.341,91 5.858,92 0.522,93 0.703,94 17.548,95 4.67,96 46.101,97 6.585,98 0.342,99 0.437,100 14.217,101 4.26,102 49.059,103 6.739,104 21,105 32,106 0.315,107 0.739,108 0.818,109 0.818,110 0.818,111 0.818,112 3.06,113 0.838,114 -3.37,115 -3.35,116 -3.21,118 39.4,119 2,126 1,138 1,139 2,142 1,143 1,144 1,147 1,148 1,150 1,156 1,158 1,159 1,160 1,161 1,167 1,170 2,171 9,172 1,173 1,175 1,178 1,180 1,181 2,182 5,188 1,191 4,192 4,194 3,195 3,199 3,203 2,204 3,205 1,206 1,208 1,213 1,214 1,215 7,220 3,223 2,225 3,227 1,235 2,239 2,242 1,243 1,252 2,264 464,265 13.439,266 13.439,267 13.439,268 13.439,269 13.439,270 11.685,271 10.132,272 7.702,273 13.682,274 10.777,275 10.777,276 10.777,277 10.777,278 10.777,279 7.971,280 7.5,281 3.537,282 11.157,283 3.328,284 1.02,285 0.591,286 0.591,287 0.591,288 0.591,289 3.732,292 1,293 1,294 1,295 307,296 2.739,299 82.849,300 47.31,303 72.016,307 1.075,308 22.586,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 44.5,320 145,321 4.76,322 3.377,323 7.039,324 4.302,325 3.338,326 4.732,328 12.087,329 3.221,330 4.142,331 3.012,332 6.163,333 3.737,334 2.752,335 3.783,337 8.929,338 2.712,339 3.798,340 2.698,341 5.807,342 3.457,343 2.501,344 3.202,346 7.8,347 2.388,348 3.523,349 2.514,350 5.244,351 3.133,352 2.153,353 2.874,355 6.427,356 2.106,357 3.024,358 1.926,359 4.818,360 2.682,361 1.741,362 2.168,364 4.817,365 1.634,366 2.934,367 1.8,368 4.352,369 2.412,370 1.456,371 2.092,373 3.838,374 1.386,375 2.547,376 1.364,377 3.851,378 2.022,379 1.061,380 1.537,382 2.732,383 1.014,384 2.246,385 1.007,386 3.482,387 1.832,388 0.847,389 1.122,391 2.06,392 0.831,393 2.09,394 0.831,395 3.272,396 1.624,397 0.643,398 0.92,400 1.62,401 0.63,402 2.051,403 0.652,404 2.686,405 1.416,406 0.308,407 0.521,409 0.441,410 0.339,411 1.059,412 -0.159,413 2.444,414 0.619,415 -0.294,416 -0.376,417 -0.684,418 -0.268,419 0.687,420 -0.718,421 2.351,422 0.204,423 -0.75,424 -1,425 -2,426 -0.709,427 0.324,428 -0.861,429 2.247,431 -1,432 -1.045,433 -2.14,434 -0.958,435 0.152,436 -1,437 1.919,438 -0.04,439 -1,440 -1.225,441 -2.72,442 -1,444 -1.052,445 1.67,446 -0.223,447 -1.246,448 -1.712,449 -3.294,450 -1.254,451 9.167,452 0.458,453 0.559,454 0.028,455 27.75,456 1.388,457 14,458 0.7,459 13.75,460 0.688,461 13.725,462 0.686,463 21.433,464 0.649,465 18.945,466 0.947,467 5.495,468 0.275,469 4.118,470 0.206,471 0.189,473 0.425,478 0.81,479 1.354,480 0.694,481 1.115,482 0.711,483 0.91,484 0.889,485 1.091,486 0.661,487 0.878,488 0.657,489 0.744,490 0.953,491 1.273,492 0.866,493 1.022,494 0.628,495 0.923,496 0.897,497 0.851,498 0.858,499 0.794,500 0.903,501 0.806,502 0.845,503 1.041,504 1.136,505 1.072,506 0.576,507 1.13,508 1.089,509 1.402,510 1.216,511 1.411,512 0.78,513 1.359,514 1.353,515 0.758,516 1.411,517 0.952,518 1.184,519 1.153,520 0.329,521 0.683,522 0.807,523 0.998,524 0.671,525 1.024,526 4,528 2.444,529 1.951,530 1.643,531 0.625,532 0.505,533 0.263,534 0.082,535 0.016,536 3230,537 10348,538 2.048,539 39.4,541 2,542 1,543 2,544 2,546 6,549 1.626,550 1.875,551 2.845,552 0.459,554 1,556 1,558 56.644,559 1.716,560 4.025,561 4.453,562 4.453,563 4.453,564 4.453,565 2.261,566 4.022,567 4.291,568 2.955,569 561.4,570 7.374,571 5545.26,572 1,573 1,575 1,576 166.465,577 1.522,578 4.231,579 0.182,581 0.076,582 0.061,583 0.051,584 0.024,585 0.022,586 0.02,587 0.012,588 0.005,589 0.454,590 0.67,591 1,592 1.013,593 85.971,594 -0.058,595 -0.145,596 0.047,597 -0.083,598 -0.093,599 -0.008,600 -0.013,601 0.01,602 0.2,603 0.114,604 0.017,605 0.186,606 -0.076,607 -0.185,608 0.019,609 -0.077,610 0.02,611 -0.013,612 0.137,613 0.168,614 0.112,615 0.124,616 0.04,617 0.113,618 -0.023,619 0.046,620 -0.258,621 -0.121,622 -0.026,623 -0.211,624 -0.147,625 -0.377,626 -0.324,627 -0.427,628 -0.025,629 -0.422,630 -0.272,631 0.105,632 -0.347,633 -0.014,634 -0.237,635 -0.162,636 0.441,637 0.022,638 0.353,639 0.028,640 0.43,641 0.143,642 1.332,643 3.76,644 0.7,645 13.02,646 1.021,647 1.139,648 2.136,649 4.562,650 0.666,651 3.135,652 3.497,653 3.829,654 4.159,655 4.369,656 4.522,657 4.575,658 4.654,659 4.522,660 4.317,661 4.446,662 0.656,663 271.31,664 3.135,665 4.691,666 5.572,667 6.485,668 7.393,669 8.315,670 9.233,671 10.159,672 11.081,673 12.007,674 15.2,678 1,682 1,684 3,689 2,690 3,691 3,693 1,695 4,696 1,697 15,698 1,708 1,716 33,718 16,720 22,722 35,723 13,724 9,727 1,728 3,729 4,732 2,738 1,740 10,741 3,744 1,749 1,751 1,756 1,757 1,759 1,760 13,761 6,762 2,763 7,769 5,775 0.667,776 2,785 1,788 1,793 2,794 1,797 1,819 2,823 2,827 20,828 1,837 1,850 6.1,853 1,855 1,858 10.667,859 6.633,860 4.417,861 1.926,863 3.02,864 1.447,865 0.984,866 3.029,867 9.772,868 3.45,869 4.119,870 4.832,871 5.52,872 6.028,873 6.495,874 6.907,875 7.345,876 7.522,877 7.696,878 0.8,879 32,880 7.318,881 3.121,882 7.942,883 13.608,884 10.989,885 2.442,886 48.833,890 129.482,891 76.916,892 84.908,894 34.652,897 76.916,898 164.134,899 84.908,900 17.65,902 54.113,903 112.061,904 28.418,905 19.548,906 94.169,908 129.482,909 161.824,910 34.652,913 58.856,914 105.279,917 32.518,918 67.648,919 61.658,921 129.482,922 119.56,923 76.916,926 129.482,927 18.007,928 60.685,930 117.784,931 129.482,932 119.56,933 76.916,935 0.587,936 0.358,937 0.203,938 0.114,939 17,940 8,941 0.086,942 3,943 1,944 1.143,945 3.104,946 158.829,947 0.143,948 14,949 84.439,954 12.82,955 4.726,956 2.018,957 1.277,958 117.784,959 4.398,960 12.722,962 5.38,964 1.793,965 1.756,966 32.897,967 325.958,968 30.5,973 10.76,975 0.717,980 33.698,981 37.571,983 0.34,984 0.798,985 0.883,986 0.883,987 0.883,988 0.883,989 4.689,990 0.847,991 5.587,992 2.732,993 4.174,994 4.804,996 6.472,997 4.11,998 5.934,999 0.643,1000 7.194,1001 2.06,1002 3.892,1003 4.745,1005 7.532,1006 3.793,1007 7.269,1008 0.308,1009 8.902,1010 1.62,1011 5.832,1012 7.139,1014 10.684,1015 5.703,1016 8.65,1017 -0.294,1018 10.67,1019 0.441,1020 6.382,1021 7.973,1023 12.595,1024 6.222,1025 10.067,1026 -0.75,1027 12.477,1028 -0.684,1029 7.817,1030 9.82,1032 15.287,1033 7.624,1034 11.512,1035 -1,1036 14.311,1037 -2,1038 8.728,1039 11.054,1041 17.544,1042 8.501,1043 12.978,1044 -1,1045 16.165,1046 -2.14,1047 9.99,1048 12.702,1050 20.093,1051 9.729,1052 3.338,1053 -1.246,1054 18.036,1055 -2.72,1056 11.06,1057 14.115,1059 22.491,1060 10.763,1061 2.752,1062 12.087,1063 19.919,1064 -3.294,1065 12.266,1066 15.692,1068 24.996,1069 11.934,1070 2.501,1071 8.929,1072 21.813,1073 4.732,1074 13.406,1075 17.183,1077 27.449,1078 13.036,1079 2.153,1080 7.8,1081 23.715,1082 3.783,1083 14.598,1084 18.738,1086 29.942,1087 14.192,1088 1.741,1089 6.427,1090 25.625,1091 3.202,1092 15.769,1093 20.263,1095 32.417,1096 15.325,1097 1.456,1098 4.817,1099 27.541,1100 2.874,1101 16.961,1102 21.813,1104 34.908,1105 16.48,1106 1.061,1107 3.838,1108 29.462,1109 2.168,1110 18.148,1111 23.352,1113 37.393,1114 17.628,1115 3260,1116 5950,1117 14.334,1118 21.983,1119 34.502,1120 35.453,1121 35.695,1122 33.779,1123 33.597,1124 45.905,1126 101.5,1127 32.521,1128 5.449,1129 5.377,1130 6.595,1131 5.375,1132 5.338,1133 7.732,1135 19.558,1136 5.202,1137 10.661,1138 1.568,1139 1.611,1140 1.622,1141 1.535,1142 1.527,1143 2.087,1145 4.614,1146 1.478,1147 4.135,1148 4.179,1149 4.12,1150 3.972,1151 7.452,1152 4.004,1153 3.846,1154 3.858,1155 3.807,1156 3.685,1157 5.269,1158 3.711,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 5.038,1164 3.399,1165 3.225,1166 3.292,1167 3.15,1168 2.98,1169 4.821,1170 3.018,1171 3.052,1172 3.126,1173 2.95,1174 2.713,1175 4.482,1176 2.766,1177 2.964,1178 3.024,1179 2.852,1180 2.653,1181 4.063,1182 2.693,1183 2.874,1184 3.009,1185 2.499,1186 2.618,1187 3.685,1188 2.57,1189 2.496,1190 2.579,1191 2.335,1192 2.278,1193 3.559,1194 2.281,1195 0.216,1196 0.153,1197 0.32,1198 0.196,1199 0.152,1200 4.76,1201 0.215,1202 3.377,1204 7.039,1205 0.549,1206 4.302,1207 0.146,1208 3.338,1209 4.732,1211 12.087,1212 3.221,1213 1.842,1214 1.806,1215 1.95,1216 2.026,1217 1.147,1218 1.998,1219 1.673,1220 1.617,1221 1.829,1222 1.873,1223 0.947,1224 1.865,1225 1.554,1226 1.526,1227 1.679,1228 1.706,1229 0.725,1230 1.695,1231 1.326,1232 1.299,1233 1.43,1234 1.594,1235 0.469,1236 1.55,1237 0.947,1238 0.861,1239 1.417,1240 1.327,1241 0.376,1242 1.308,1243 0.934,1244 0.804,1245 1.197,1246 1.239,1247 0.048,1248 1.298,1249 0.772,1250 0.708,1251 0.992,1252 1.132,1253 0.002,1254 1.097,1255 0.71,1256 0.657,1257 0.981,1258 1.048,1260 1.023,1261 3.807,1263 5.153,1264 3.045,1265 6.693,1266 5.416,1267 8.327,1268 7.554,1269 10.014,1271 3.987,1275 5.932,1281 0.112,1289 21.644,1290 56.644,1291 132.814,1292 146.955,1293 146.955,1294 146.955,1295 146.955,1296 29.819,1297 6.752,1298 99.83,1299 99.83,1300 16,1301 12.512,1302 4.087,1303 3.248,1304 29.67,1305 52,1306 62,1307 0.293,1308 134.763,1309 217.78,1310 320.581,1311 6148,1313 14.276,1314 0.714,1315 0.553,1316 14.276,1317 11.069,1318 9.613,1319 0.437,1320 0.279,1321 6.018,1322 9.081,1323 5.838,1324 4.885,1325 9.613,1326 6.143,1327 8.804,1328 0.275,1329 0.147,1330 8.804,1331 4.707,1332 7.558,1333 0.168,1334 0.067,1335 7.558,1336 2.996,1337 6.514,1338 0.103,1339 0.033,1340 6.514,1341 2.065,1342 5.102,1343 0.065,1344 0.017,1345 5.102,1346 1.322,1347 0.432,1348 61.438,1349 0.264,1350 19.246,1351 0.896,1352 108,1353 363.364,1354 122.418,1355 346.984,1356 477.31,1357 324,1358 131,1359 362.384,1360 147.001,1361 363.362,1362 533.83,1363 340,1364 4.77}
{0 CHEMBL1241481,1 1.619,2 10.414,3 3.105,4 9.639,5 111.536,6 7.246,7 0.516,8 4.103,9 4.235,10 3.635,11 3.538,12 5.245,13 3.538,14 4.634,15 4.827,16 4.04,17 3.904,18 5.772,19 3.899,20 4.83,21 5.01,22 4.088,23 4.065,24 5.933,25 4.041,26 4.993,27 5.241,28 4.156,29 4.118,30 6.09,31 4.074,32 4.928,33 5.128,34 4.045,35 4.075,36 6.131,37 4.037,38 4.853,39 5.062,40 3.996,41 4.072,42 5.93,43 4.005,44 4.935,45 5.164,46 3.886,47 4.051,48 5.995,49 3.955,50 4.93,51 5.194,52 3.697,53 3.924,54 5.871,55 3.792,56 0.09,57 0.826,58 11.972,59 4.502,60 12.603,61 6.351,62 0.488,63 1.233,64 22.811,65 7.232,66 44.795,67 10.606,68 0.514,69 1.479,70 27.726,71 8.139,72 42.242,73 12.004,74 0.519,75 1.613,76 34.223,77 9.799,78 55.159,79 15.274,80 0.87,81 1.503,82 31.931,83 8.187,84 89.376,85 12.407,86 0.378,87 1.457,88 28.384,89 9.444,90 43.483,91 13.947,92 0.615,93 1.451,94 32.035,95 9.653,96 67.749,97 14.533,98 0.673,99 1.277,100 33.664,101 10.247,102 60.251,103 15.206,104 77,105 46,106 0.268,107 0.614,108 0.725,109 0.783,110 0.783,111 0.783,112 3.408,113 0.898,114 -4.32,115 -4.26,116 -4.02,118 36.4,119 5,123 1,126 1,128 1,138 3,139 2,140 2,142 1,143 1,144 1,154 1,156 1,158 1,159 1,160 1,161 1,167 3,170 3,171 11,172 1,173 3,175 2,178 7,180 1,181 1,182 7,184 1,186 2,188 3,191 2,192 13,194 3,195 3,197 5,199 3,201 1,203 3,204 10,208 2,211 2,213 2,214 1,215 6,218 1,220 4,223 7,225 3,227 2,228 3,230 1,231 2,235 8,239 2,240 4,243 2,244 1,246 1,247 3,251 2,257 2,264 1313,265 18.61,266 18.61,267 18.61,268 18.61,269 18.61,270 16.624,271 23.025,272 10.577,273 19.223,274 15.237,275 15.237,276 15.237,277 15.237,278 15.237,279 12.044,280 26.635,281 4.91,282 16.123,283 4.162,284 2.07,285 1.398,286 1.046,287 1.046,288 1.046,289 4.08,293 1,294 1,295 628,296 4.359,299 66.73,300 175.9,303 125.819,307 1.819,308 30.811,311 1,312 0.83,313 1,314 1,315 0.5,316 1,317 1,318 0.9,319 64,320 302,321 4.76,322 3.768,323 7.039,324 4.302,325 3.339,326 4.732,327 2.186,328 12.088,329 3.219,330 4.286,331 3.379,332 6.448,333 4.073,334 3.136,335 3.925,336 0.86,337 10.163,338 2.929,339 4.142,340 3.207,341 6.248,342 3.861,343 2.902,344 3.245,345 0.366,346 9.374,347 2.78,348 3.827,349 3.037,350 6.072,351 3.51,352 2.556,353 3.196,355 8.576,356 2.434,357 3.722,358 2.676,359 5.715,360 3.338,361 2.379,362 3.099,364 7.472,365 2.275,366 3.419,367 2.422,368 4.938,369 3.036,370 2.077,371 2.563,373 5.754,374 1.966,375 3.03,376 1.945,377 4.819,378 2.683,379 1.742,380 2.239,382 4.818,383 1.636,384 2.982,385 1.821,386 4.471,387 2.471,388 1.53,389 2.126,391 4.144,392 1.432,393 2.87,394 1.534,395 4.259,396 2.428,397 1.477,398 1.996,400 3.891,401 1.396,402 2.522,403 1.084,404 3.862,405 2.009,406 1.062,407 1.53,409 2.763,410 1.003,411 2.128,412 0.941,413 3.493,414 1.78,415 0.817,416 1.035,417 2.059,418 0.785,419 1.751,420 0.87,421 3.155,422 1.435,423 0.539,424 0.63,425 1.005,426 0.477,427 1.242,428 0.798,429 2.846,430 0.943,431 0.036,432 0.04,433 0.075,434 0.032,435 1.057,436 0.435,437 2.695,438 0.62,439 -0.291,440 -0.366,441 -0.685,442 -0.265,443 0.884,444 -0.15,445 2.427,446 0.524,447 -0.419,448 -0.498,449 -1.151,450 -0.386,451 13.4,452 0.462,453 1.07,454 0.037,455 36.25,456 1.25,457 17,458 0.586,459 19.25,460 0.664,461 27.661,462 0.954,463 32.8,464 0.596,465 29.616,466 1.021,467 6.948,468 0.24,469 6.654,470 0.229,471 0.279,472 0.037,473 0.366,478 0.857,479 1.487,480 0.82,481 1.268,482 0.823,483 1.063,484 0.79,485 1.048,486 0.642,487 0.863,488 0.48,489 0.747,490 1.411,491 1.284,492 1.119,493 1.079,494 1.015,495 1.056,496 0.841,497 1.01,498 0.745,499 0.911,500 0.802,501 0.815,502 1.539,503 0.972,504 1.292,505 0.919,506 2.003,507 1.026,508 0.894,509 1.241,510 1,511 1.225,512 0.967,513 1.148,514 1.036,515 1.06,516 1.189,517 1.182,518 1.146,519 1.208,520 1.014,521 0.91,522 1.014,523 1.049,524 0.62,525 1.058,526 8,527 0.183,528 3.556,529 2.917,530 2.287,531 1.285,532 0.952,533 0.665,534 0.351,535 0.271,536 9450,537 25672,538 1.946,539 47.3,541 7,543 1,544 3,546 15,549 1.722,550 1.749,551 3.323,552 0.96,553 1,554 1,558 89.06,559 1.619,560 3.712,561 4.384,562 4.735,563 4.735,564 4.735,565 2.755,566 4.487,567 4.827,568 3.563,569 1446.75,570 8.423,571 19331.3,573 1,575 1,576 317.975,577 1.739,578 4.736,579 0.258,580 0.009,581 0.077,582 0.062,583 0.046,584 0.03,585 0.023,586 0.019,587 0.013,588 0.013,589 0.549,590 0.17,591 1,592 1.521,593 146.247,594 -0.032,595 -0.18,596 0.053,597 -0.113,598 -0.137,599 -0.027,600 0.246,601 0.07,602 0.315,603 0.182,604 0.279,605 0.247,606 -0.219,607 -0.146,608 -0.154,609 -0.052,610 -0.166,611 -0.092,612 0.06,613 0.011,614 0.23,615 0.062,616 0.141,617 0.164,618 -0.192,619 0.121,620 -0.287,621 0.034,622 -0.245,623 -0.109,624 -0.029,625 -0.159,626 -0.069,627 -0.162,628 -0.049,629 -0.13,630 -0.048,631 -0.029,632 -0.224,633 -0.182,634 -0.174,635 -0.227,636 0.036,637 -0.037,638 -0.012,639 -0.062,640 0.085,641 -0.06,642 2.226,643 5.111,644 0.517,645 28.492,646 1.008,647 1.141,648 3.093,649 9.565,650 0.637,651 3.466,652 3.85,653 4.078,654 4.407,655 4.625,656 4.779,657 4.898,658 5.024,659 5.075,660 5.136,661 6.511,662 0.61,663 398.52,664 3.466,665 5.043,666 5.894,667 6.812,668 7.69,669 8.613,670 9.504,671 10.428,672 11.328,673 12.252,674 10.9,678 1,681 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,712 1,714 1,716 55,718 17,719 1,720 31,722 57,723 20,724 11,725 3,726 3,728 3,729 4,732 5,738 1,740 12,741 8,742 1,744 1,749 1,753 1,757 1,760 26,761 8,762 3,763 9,769 6,775 0.667,776 3,785 1,788 1,793 1,794 2,797 1,819 2,823 6,827 29,828 1,834 1,835 2,837 1,839 1,850 5.5,853 1,855 2,858 16.583,859 11.8,860 6.236,861 3.155,863 3.222,864 1.43,865 0.932,866 5.894,867 10.708,868 3.714,869 4.366,870 4.969,871 5.647,872 6.209,873 6.628,874 7.079,875 7.541,876 7.839,877 8.175,878 0.857,879 47,880 10.683,881 4.458,882 7.825,883 20.047,884 15.883,885 2.325,886 67.417,889 1,890 270.735,891 119.378,892 102.919,894 47.145,897 119.378,898 317.88,899 102.919,900 55.009,901 18.011,902 61.326,903 88.865,904 48.91,905 9.09,906 258.964,908 270.735,909 222.296,910 47.145,913 94.169,914 223.711,917 77.004,918 95.058,919 50.234,921 270.735,922 150.063,923 119.378,926 270.735,927 27.321,928 93.833,929 18.011,930 130.276,931 270.735,932 150.063,933 119.378,935 0.596,936 0.328,937 0.187,938 0.101,939 22,940 12,941 0.105,942 6,943 1,944 1.133,945 3.79,946 257.739,947 0.133,948 15,949 134.127,954 21.183,955 8.069,956 4.559,957 1.341,958 148.287,959 6.772,960 13.157,964 2.724,965 1.808,966 50.908,967 540.176,968 40,973 12.111,977 -0.56,980 55.429,981 62.77,983 0.28,984 0.642,985 0.758,986 0.819,987 0.819,988 0.819,989 4.99,990 1.53,991 5.953,992 4.818,993 4.533,994 5.053,995 2.399,996 6.841,997 4.429,998 6.25,999 1.477,1000 7.568,1001 4.144,1002 4.443,1003 5.103,1004 1.784,1005 8.025,1006 4.306,1007 7.599,1008 1.062,1009 9.284,1010 3.891,1011 6.248,1012 7.34,1013 3.523,1014 11.057,1015 6.048,1016 8.983,1017 0.817,1018 11.058,1019 2.763,1020 6.889,1021 8.167,1022 3.59,1023 12.989,1024 6.651,1025 10.395,1026 0.539,1027 12.866,1028 2.059,1029 8.27,1030 9.969,1031 4.911,1032 15.618,1033 7.981,1034 11.829,1035 0.036,1036 14.697,1037 1.005,1038 9.213,1039 11.171,1040 5.289,1041 17.853,1042 8.881,1043 13.281,1044 -0.291,1045 16.545,1046 0.075,1047 10.449,1048 12.806,1049 6.388,1050 20.358,1051 10.073,1052 3.339,1053 -0.419,1054 18.407,1055 -0.685,1056 11.522,1057 14.192,1058 6.93,1059 22.724,1060 11.102,1061 3.136,1062 12.088,1063 20.278,1064 -1.151,1065 12.71,1066 15.764,1067 7.902,1068 25.195,1069 12.249,1070 2.902,1071 10.163,1072 22.158,1073 4.732,1074 13.839,1075 17.236,1076 8.539,1077 27.619,1078 13.336,1079 2.556,1080 9.374,1081 24.045,1082 3.925,1083 15.014,1084 18.787,1085 9.436,1086 30.086,1087 14.471,1088 2.379,1089 8.576,1090 25.939,1091 3.245,1092 16.17,1093 20.3,1094 10.13,1095 32.54,1096 15.586,1097 2.077,1098 7.472,1099 27.838,1100 3.196,1101 17.344,1102 21.846,1103 10.981,1104 35.011,1105 16.722,1106 1.742,1107 5.754,1108 29.742,1109 3.099,1110 18.513,1111 23.379,1112 11.71,1113 37.48,1114 17.852,1115 9526,1116 15872,1117 19.304,1118 35.012,1119 47.914,1120 49.116,1121 49.811,1122 47.092,1123 47.183,1124 60.715,1125 6.825,1126 144.363,1127 44.727,1128 5.647,1129 5.768,1130 6.567,1131 5.376,1132 5.339,1133 7.732,1134 3.889,1135 19.555,1136 5.219,1137 20.004,1138 1.546,1139 1.584,1140 1.607,1141 1.519,1142 1.522,1143 1.959,1144 0.22,1145 4.657,1146 1.443,1147 4.136,1148 4.182,1149 4.118,1150 3.997,1151 7.435,1152 4.02,1153 3.876,1154 3.906,1155 3.834,1156 3.747,1157 5.257,1158 3.765,1159 3.724,1160 3.767,1161 3.61,1162 3.558,1163 4.905,1164 3.558,1165 3.576,1166 3.654,1167 3.445,1168 3.406,1169 4.803,1170 3.399,1171 3.333,1172 3.38,1173 3.256,1174 3.078,1175 4.56,1176 3.12,1177 3.264,1178 3.324,1179 3.123,1180 2.961,1181 4.513,1182 2.986,1183 3.136,1184 3.219,1185 3,1186 2.858,1187 4.342,1188 2.897,1189 2.991,1190 3.095,1191 2.871,1192 2.683,1193 4.077,1194 2.721,1195 0.154,1196 0.122,1197 0.227,1198 0.139,1199 0.108,1200 4.76,1201 0.153,1202 3.768,1203 0.071,1204 7.039,1205 0.39,1206 4.302,1207 0.104,1208 3.339,1209 4.732,1210 2.186,1211 12.088,1212 3.219,1213 1.934,1214 1.914,1215 2.002,1216 2.045,1217 1.157,1218 2.028,1219 1.8,1220 1.753,1221 1.948,1222 2,1223 1.127,1224 1.98,1225 1.694,1226 1.644,1227 1.941,1228 1.896,1229 1.115,1230 1.908,1231 1.614,1232 1.55,1233 1.775,1234 1.817,1235 0.843,1236 1.816,1237 1.236,1238 1.185,1239 1.571,1240 1.521,1241 0.574,1242 1.536,1243 1.18,1244 1.114,1245 1.417,1246 1.51,1247 0.469,1248 1.462,1249 1.015,1250 0.96,1251 1.417,1252 1.357,1253 0.469,1254 1.324,1255 0.934,1256 0.804,1257 1.417,1258 1.239,1259 0.469,1260 1.308,1261 4.143,1263 5.509,1264 2.398,1265 7.052,1266 4.844,1267 8.681,1268 7.081,1269 10.358,1271 10.966,1275 6.124,1278 2.708,1279 10.772,1281 0.093,1283 -0.6,1289 33.541,1290 89.06,1291 204.145,1292 241.107,1293 260.426,1294 260.426,1295 260.426,1296 59.698,1297 7.486,1298 117.18,1299 117.18,1300 17,1301 12.763,1302 4.17,1303 3.322,1304 52.39,1305 113,1306 108,1307 0.232,1308 209.772,1309 356.03,1310 503.605,1311 16384,1313 21.345,1314 0.736,1315 0.603,1316 21.345,1317 17.478,1318 13.602,1319 0.439,1320 0.299,1321 9.096,1322 12.862,1323 8.638,1324 7.325,1325 13.602,1326 9.275,1327 13.564,1328 0.295,1329 0.171,1330 13.564,1331 7.886,1332 9.77,1333 0.168,1334 0.071,1335 9.77,1336 4.118,1337 8.849,1338 0.109,1339 0.036,1340 8.849,1341 2.913,1342 6.761,1343 0.067,1344 0.019,1345 6.761,1346 1.885,1347 0.36,1348 86.62,1349 0.228,1350 27.215,1351 0.649,1352 154,1353 481.432,1354 175.786,1355 459.083,1356 631.41,1357 428,1358 181,1359 482.001,1360 201.657,1361 485.259,1362 708.03,1363 451,1364 4.301}
{0 CHEMBL1241482,1 1.751,2 10.733,3 3.357,4 11.269,5 109.271,6 8.943,7 0.794,8 3.973,9 4.074,10 3.687,11 3.513,12 5.263,13 3.547,14 4.431,15 4.559,16 4.069,17 3.893,18 5.711,19 3.919,20 4.623,21 4.777,22 4.126,23 3.974,24 5.969,25 3.984,26 4.697,27 4.88,28 4.106,29 3.965,30 5.947,31 3.968,32 4.679,33 4.861,34 4.076,35 3.951,36 5.874,37 3.954,38 4.691,39 4.883,40 4.068,41 3.933,42 5.929,43 3.937,44 4.673,45 4.879,46 4.018,47 3.869,48 5.96,49 3.862,50 4.558,51 4.746,52 3.903,53 3.764,54 5.952,55 3.766,56 0.177,57 0.791,58 6.129,59 3.519,60 15.473,61 3.514,62 0.354,63 1.237,64 11.061,65 5.634,66 23.529,67 5.922,68 0.583,69 1.45,70 15.755,71 7.085,72 60.799,73 7.7,74 0.63,75 1.53,76 18.346,77 7.299,78 58.21,79 8.083,80 0.576,81 1.403,82 18.22,83 6.984,84 43.661,85 7.92,86 0.61,87 1.458,88 19.018,89 6.963,90 50.469,91 7.95,92 0.711,93 1.39,94 21.14,95 7.597,96 63.118,97 9.444,98 0.72,99 1.317,100 18.027,101 6.502,102 79.186,103 7.025,104 10,105 49,106 0.293,107 0.66,108 0.773,109 0.855,110 0.876,111 0.876,112 3.441,113 0.799,114 -5.1,115 -5,116 -4.68,118 46.7,124 1,138 8,139 3,140 2,142 2,143 1,144 1,148 1,155 1,156 1,158 1,159 1,160 1,161 1,167 9,170 3,171 6,172 1,173 1,175 2,178 9,180 1,181 2,182 6,186 2,188 6,191 4,192 10,194 3,195 3,197 2,199 1,201 1,203 2,204 12,206 1,208 3,213 2,214 1,215 10,218 1,220 1,223 1,225 1,227 1,228 8,230 1,231 3,232 1,234 1,235 3,239 1,240 7,242 1,243 1,245 1,247 6,249 1,252 4,255 1,257 2,260 8,262 2,264 1456,265 20.568,266 20.568,267 20.568,268 20.568,269 20.568,270 17.298,271 14.085,272 12.017,273 20.952,274 16.792,275 16.792,276 16.792,277 16.792,278 16.792,279 11.988,280 17.287,281 5.698,282 17.467,283 3.741,284 1.555,285 0.878,286 0.389,287 0.267,288 0.267,289 4.15,293 1,294 1,295 714,296 2.55,299 132.537,300 241.266,303 113.201,307 1.502,308 37.662,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 66.5,320 322,321 4.749,322 3.373,323 7.004,324 4.287,325 3.321,326 4.725,327 0.522,328 11.969,329 3.207,330 4.388,331 3.171,332 6.514,333 4.011,334 3.028,335 4.057,337 10.236,338 2.976,339 4.209,340 3.09,341 6.081,342 3.765,343 2.811,344 3.877,346 8.749,347 2.675,348 3.756,349 2.542,350 5.807,351 3.357,352 2.398,353 3.235,355 7.737,356 2.306,357 3.681,358 2.444,359 5.585,360 3.268,361 2.317,362 3.097,364 7.124,365 2.191,366 3.599,367 2.211,368 5.212,369 3.118,370 2.15,371 3.064,373 6.213,374 2.067,375 3,376 1.87,377 4.483,378 2.516,379 1.545,380 2.238,382 4.205,383 1.505,384 2.939,385 1.645,386 4.464,387 2.448,388 1.506,389 2.114,391 4.049,392 1.412,393 2.82,394 1.531,395 4.04,396 2.365,397 1.414,398 1.948,400 3.512,401 1.333,402 2.785,403 1.411,404 4.022,405 2.323,406 1.366,407 1.896,409 3.336,410 1.301,411 2.557,412 1.164,413 3.664,414 2.044,415 1.097,416 1.583,417 2.695,418 1.035,419 2.5,420 1.068,421 3.514,422 2,423 1,424 1.5,425 2.444,426 1,427 2.418,428 1,429 3.338,430 1.92,431 0.989,432 1.385,433 2.136,434 0.917,435 2.269,436 0.778,437 3.247,438 1.757,439 0.778,440 1.156,441 1.945,442 0.76,443 1.374,444 0.588,445 2.841,446 0.993,447 0.107,448 0.129,449 0.236,450 0.092,451 13.852,452 0.462,453 0.73,454 0.024,455 45.5,456 1.517,457 25,458 0.833,459 20.5,460 0.683,461 20.238,462 0.675,463 30.548,464 0.679,465 35.705,466 1.19,467 9.251,468 0.308,469 5.364,470 0.179,471 0.074,473 0.39,477 1,478 0.808,479 1.031,480 0.646,481 0.904,482 0.775,483 0.767,484 0.777,485 0.98,486 0.721,487 0.925,488 0.638,489 0.833,490 0.887,491 1.171,492 0.895,493 1.063,494 0.811,495 1.005,496 0.966,497 0.984,498 1.036,499 1.021,500 0.951,501 1.035,502 0.89,503 0.951,504 0.977,505 0.986,506 0.566,507 0.988,508 0.929,509 0.941,510 0.995,511 0.977,512 0.741,513 0.98,514 0.777,515 0.897,516 0.833,517 0.911,518 0.702,519 0.895,520 1.19,521 0.804,522 1.077,523 0.873,524 1.095,525 0.936,526 5,527 0.14,528 3.778,529 2.354,530 1.758,531 0.883,532 0.805,533 0.587,534 0.359,535 0.207,536 11582,537 37003,538 2.165,539 33.3,541 10,543 2,544 3,549 1.734,550 2.045,551 3.391,552 0.933,553 1,554 1,558 78.782,559 1.751,560 3.937,561 4.614,562 5.103,563 5.225,564 5.225,565 2.84,566 4.64,567 4.878,568 3.519,569 1530.93,570 8.539,571 20562.6,573 1,575 1,576 247.133,577 1.347,578 4.848,579 0.147,580 0.006,581 0.077,582 0.047,583 0.037,584 0.019,585 0.017,586 0.014,587 0.009,588 0.007,589 0.38,590 0.17,591 0.88,592 0.496,593 151.755,594 -0.094,595 -0.046,596 0.017,597 0.02,598 -0.137,599 0.045,600 -0.005,601 0.009,602 0.023,603 0.001,604 -0.011,605 0.013,606 0.031,607 -0.162,608 -0.032,609 -0.106,610 0.09,611 -0.096,612 -0.05,613 0.026,614 -0.119,615 -0.099,616 -0.095,617 -0.124,618 -0.076,619 -0.094,620 -0.063,621 -0.068,622 -0.003,623 -0.059,624 -0.069,625 -0.04,626 -0.053,627 -0.059,628 -0.04,629 -0.045,630 0.165,631 -0.01,632 0.206,633 0.064,634 0.144,635 0.123,636 -0.036,637 0.172,638 -0.064,639 0.092,640 0.043,641 0.017,642 2.388,643 5.526,644 0.867,645 26.6,646 1.027,647 1.129,648 3.871,649 14.988,650 0.704,651 3.555,652 3.912,653 4.248,654 4.564,655 4.804,656 4.934,657 5.13,658 5.318,659 5.429,660 5.501,661 6.307,662 0.702,663 402.42,664 3.555,665 5.118,666 5.999,667 6.901,668 7.801,669 8.711,670 9.619,671 10.534,672 11.447,673 12.364,674 13.3,678 1,682 1,684 4,689 2,690 10,691 4,693 1,695 8,696 1,697 27,708 1,713 1,715 1,716 45,718 27,719 2,720 34,722 49,723 21,724 20,725 4,726 8,728 5,729 6,740 20,741 1,757 1,758 1,760 15,761 8,762 3,763 9,769 6,775 0.8,776 2,780 1,785 1,788 1,793 2,794 3,797 1,819 4,825 1,827 30,828 1,832 1,833 1,849 1,850 4.4,852 1,855 1,858 14.667,859 8.176,860 6.472,861 2.474,863 4.924,864 1.605,865 1.033,866 4.509,867 13.057,868 3.882,869 4.57,870 5.247,871 5.908,872 6.451,873 6.839,874 7.345,875 7.843,876 8.22,877 8.595,878 1,879 50,880 11.053,881 4.897,882 7.956,883 20.446,884 16.935,885 2.456,886 73.667,889 1,890 141.253,891 130.916,892 101.693,894 52.191,895 14.96,897 130.916,898 193.444,899 116.653,901 2.106,902 108.707,903 146.271,904 43.481,905 22.737,906 117.711,908 141.253,909 232.609,910 67.151,913 156.213,914 52.191,917 31.04,918 134.549,919 67.02,921 156.213,922 153.884,923 130.916,926 141.253,927 35.176,928 97.516,930 167.068,931 141.253,932 168.844,933 130.916,935 0.588,936 0.356,937 0.198,938 0.108,939 26,940 11,941 0.082,942 4,943 1,944 1.077,945 4.087,946 287.889,947 0.077,948 26,949 143.207,954 18.432,955 7.338,956 3.258,957 0.987,958 167.068,959 16.341,960 17.312,962 5.616,964 2.146,965 1.621,966 75.581,967 441.013,968 47.5,980 46.196,981 50.824,983 0.319,984 0.717,985 0.84,986 0.929,987 0.951,988 0.951,989 5.116,990 1.506,991 5.994,992 4.205,993 4.595,994 5.257,995 0.434,996 6.853,997 4.519,998 6.356,999 1.414,1000 7.58,1001 4.049,1002 4.205,1003 5.094,1005 7.842,1006 4.084,1007 7.685,1008 1.366,1009 9.27,1010 3.512,1011 6.229,1012 7.56,1013 0.138,1014 10.997,1015 6.089,1016 9.055,1017 1.097,1018 11.021,1019 3.336,1020 6.698,1021 8.28,1023 12.852,1024 6.516,1025 10.459,1026 1,1027 12.813,1028 2.695,1029 8.178,1030 10.176,1031 0.039,1032 15.524,1033 7.978,1034 11.889,1035 0.989,1036 14.632,1037 2.444,1038 9.033,1039 11.316,1041 17.731,1042 8.794,1043 13.34,1044 0.778,1045 16.472,1046 2.136,1047 10.308,1048 12.983,1049 0.011,1050 20.25,1051 10.047,1052 3.321,1053 0.107,1054 18.326,1055 1.945,1056 11.336,1057 14.328,1059 22.605,1060 11.04,1061 3.028,1062 11.969,1063 20.193,1064 0.236,1065 12.537,1066 15.904,1067 0.003,1068 25.08,1069 12.215,1070 2.811,1071 10.236,1072 22.07,1073 4.725,1074 13.644,1075 17.348,1077 27.498,1078 13.288,1079 2.398,1080 8.749,1081 23.954,1082 4.057,1083 14.821,1084 18.893,1085 0.001,1086 29.963,1087 14.436,1088 2.317,1089 7.737,1090 25.846,1091 3.877,1092 15.965,1093 20.385,1095 32.409,1096 15.546,1097 2.15,1098 7.124,1099 27.743,1100 3.235,1101 17.137,1102 21.921,1104 34.875,1105 16.688,1106 1.545,1107 6.213,1108 29.646,1109 3.097,1110 18.299,1111 23.438,1113 37.335,1114 17.816,1115 10776,1116 19433,1117 23.175,1118 31.688,1119 52.223,1120 52.376,1121 53.241,1122 51.664,1123 51.649,1124 72.009,1125 1.043,1126 153.174,1127 49.556,1128 5.55,1129 5.373,1130 6.806,1131 5.361,1132 5.321,1133 7.725,1134 1.043,1135 19.371,1136 5.207,1137 12.406,1138 1.536,1139 1.54,1140 1.566,1141 1.52,1142 1.519,1143 2.118,1144 0.031,1145 4.505,1146 1.458,1147 4.143,1148 4.186,1149 4.126,1150 4.001,1151 8.201,1152 4.024,1153 3.966,1154 3.989,1155 3.928,1156 3.879,1157 6.465,1158 3.883,1159 3.841,1160 3.868,1161 3.805,1162 3.723,1163 5.263,1164 3.74,1165 3.701,1166 3.728,1167 3.639,1168 3.519,1169 5.153,1170 3.549,1171 3.332,1172 3.42,1173 3.278,1174 3.041,1175 4.858,1176 3.089,1177 3.07,1178 3.136,1179 3.011,1180 2.877,1181 4.711,1182 2.899,1183 2.933,1184 3.013,1185 2.805,1186 2.746,1187 4.571,1188 2.748,1189 2.897,1190 2.966,1191 2.758,1192 2.735,1193 4.369,1194 2.715,1195 0.14,1196 0.099,1197 0.206,1198 0.126,1199 0.098,1200 4.749,1201 0.139,1202 3.373,1203 0.015,1204 7.004,1205 0.352,1206 4.287,1207 0.094,1208 3.321,1209 4.725,1210 0.522,1211 11.969,1212 3.207,1213 1.923,1214 1.904,1215 2.024,1216 2.035,1217 1.128,1218 2.017,1219 1.911,1220 1.886,1221 1.985,1222 1.996,1223 1.105,1224 2.001,1225 1.769,1226 1.728,1227 1.837,1228 1.948,1229 0.966,1230 1.927,1231 1.514,1232 1.474,1233 1.648,1234 1.746,1235 0.77,1236 1.715,1237 1.206,1238 1.155,1239 1.335,1240 1.494,1241 0.34,1242 1.439,1243 1.132,1244 1.101,1245 1.232,1246 1.385,1247 0.218,1248 1.344,1249 0.928,1250 0.873,1251 1.181,1252 1.231,1253 0.207,1254 1.209,1255 0.886,1256 0.838,1257 1.152,1258 1.149,1259 0.126,1260 1.133,1261 4.234,1263 5.58,1264 3.045,1265 7.122,1266 5.416,1267 8.754,1268 7.545,1269 10.434,1273 13.526,1275 6.093,1276 9.784,1277 0.24,1289 31.575,1290 78.782,1291 177.159,1292 207.624,1293 229.624,1294 235.133,1295 235.133,1296 51.454,1297 8.133,1298 115.88,1299 115.88,1300 28,1301 12.876,1302 4.807,1303 3.858,1304 41.362,1305 112,1306 117,1307 0.18,1308 190.07,1309 313.53,1310 455.532,1311 39771,1312 2.2,1313 20.665,1314 0.689,1315 0.518,1316 19.794,1317 15.527,1318 14.614,1319 0.43,1320 0.266,1321 8.885,1322 13.926,1323 8.764,1324 7.22,1325 14.204,1326 9.052,1327 13.325,1328 0.272,1329 0.135,1330 12.83,1331 6.62,1332 11.846,1333 0.172,1334 0.069,1335 11.184,1336 4.76,1337 10.139,1338 0.107,1339 0.035,1340 10.031,1341 3.353,1342 8.273,1343 0.068,1344 0.018,1345 8.073,1346 2.228,1347 0.276,1348 92.671,1349 0.208,1350 27.857,1351 0.512,1352 166,1353 575.534,1354 186.412,1355 533.109,1356 731.82,1357 498,1358 201,1359 553.133,1360 223.072,1361 551.834,1362 812.41,1363 519,1364 4}
{0 CHEMBL1241483,1 1.716,2 7.364,3 2.615,4 6.839,5 83.243,6 7.931,7 0.667,8 3.764,9 3.891,10 3.378,11 3.236,12 4.975,13 3.25,14 4.267,15 4.451,16 3.756,17 3.594,18 5.434,19 3.607,20 4.428,21 4.613,22 3.871,23 3.711,24 5.693,25 3.721,26 4.534,27 4.749,28 3.833,29 3.759,30 5.733,31 3.737,32 4.516,33 4.734,34 3.664,35 3.736,36 5.617,37 3.682,38 4.434,39 4.636,40 3.635,41 3.668,42 5.61,43 3.606,44 4.521,45 4.788,46 3.415,47 3.536,48 5.628,49 3.43,50 4.334,51 4.633,52 3.12,53 3.198,54 5.47,55 3.071,56 0.101,57 0.666,58 7.109,59 3.098,60 9.489,61 3.934,62 0.298,63 1.013,64 14.192,65 4.97,66 26.195,67 6.559,68 0.447,69 1.195,70 16.729,71 5.35,72 36.482,73 7.209,74 0.458,75 1.256,76 19.503,77 6.246,78 45.047,79 8.473,80 0.457,81 1.174,82 19.326,83 6.073,84 44.788,85 8.356,86 0.329,87 1.089,88 16.691,89 5.877,90 32.113,91 8.373,92 0.562,93 1.022,94 21.617,95 6.122,96 52.501,97 9.213,98 0.52,99 0.795,100 20.129,101 5.745,102 60.786,103 8.603,104 30,105 35,106 0.307,107 0.695,108 0.803,109 0.825,110 0.825,111 0.825,112 3.148,113 0.856,114 -4.77,115 -4.68,116 -4.4,118 39.5,119 2,123 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 8,172 1,173 1,175 1,178 4,180 1,181 1,182 7,188 3,191 2,192 8,194 3,195 3,197 1,199 3,201 1,203 1,204 6,208 2,211 2,213 2,214 1,215 4,220 3,223 4,225 3,227 2,230 1,231 1,235 2,240 2,264 610,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.762,271 14.185,272 8.34,273 15.132,274 11.738,275 11.738,276 11.738,277 11.738,278 11.738,279 8.794,280 11.755,281 3.808,282 12.451,283 3.532,284 1.368,285 0.764,286 0.639,287 0.639,288 0.639,289 3.822,292 1,293 1,294 1,295 340,296 2.828,299 42.346,300 114.652,303 80.972,307 1.091,308 26.063,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 49,320 162,321 4.76,322 3.386,323 7.039,324 4.302,325 3.338,326 4.732,327 0.86,328 12.087,329 3.217,330 4.239,331 3.221,332 6.203,333 3.809,334 2.861,335 3.899,337 9.116,338 2.71,339 3.818,340 2.686,341 6.004,342 3.489,343 2.54,344 3.216,346 8.33,347 2.403,348 3.69,349 2.449,350 5.688,351 3.283,352 2.336,353 3.096,355 7.355,356 2.201,357 3.031,358 2.151,359 4.819,360 2.683,361 1.743,362 2.249,364 4.818,365 1.636,366 2.984,367 1.822,368 4.469,369 2.472,370 1.539,371 2.127,373 4.123,374 1.431,375 2.881,376 1.549,377 4.202,378 2.431,379 1.503,380 2.018,382 3.827,383 1.382,384 2.521,385 1.093,386 3.861,387 2.006,388 1.062,389 1.531,391 2.759,392 0.999,393 2.127,394 0.942,395 3.491,396 1.775,397 0.815,398 1.033,400 2.05,401 0.78,402 1.718,403 0.866,404 2.879,405 1.401,406 0.525,407 0.608,409 0.884,410 0.455,411 1.125,412 0.449,413 2.693,414 0.763,415 -0.132,416 -0.157,417 -0.255,418 -0.115,419 1.047,420 -0.159,421 2.425,422 0.596,423 -0.309,424 -0.396,425 -0.707,426 -0.279,427 0.648,428 -0.516,429 2.257,430 0.176,431 -0.759,432 -1,433 -2,434 -0.704,435 0.577,436 -0.712,437 2.199,438 0.101,439 -0.849,440 -1.002,441 -2.058,442 -0.795,443 0.215,444 -0.858,445 2,447 -1,448 -1.141,449 -2.325,450 -0.973,451 10.119,452 0.46,453 0.648,454 0.029,455 29.75,456 1.352,457 15,458 0.682,459 14.75,460 0.67,461 16.591,462 0.754,463 24.081,464 0.634,465 21.575,466 0.981,467 5.92,468 0.269,469 4.604,470 0.209,471 0.216,473 0.435,477 1,478 0.733,479 1.195,480 0.714,481 1.128,482 0.697,483 0.954,484 0.884,485 0.988,486 0.654,487 0.825,488 0.618,489 0.714,490 0.963,491 1.196,492 0.843,493 0.963,494 0.84,495 0.876,496 0.944,497 0.985,498 0.952,499 0.958,500 0.934,501 0.95,502 1.065,503 1.005,504 1.189,505 1.027,506 1.008,507 1.102,508 0.663,509 1.145,510 1.072,511 1.361,512 0.653,513 1.327,514 0.757,515 0.849,516 1.096,517 1.062,518 0.908,519 1.136,520 0.784,521 0.768,522 0.801,523 0.959,524 0.655,525 0.922,526 4.5,528 3.111,529 2.167,530 1.847,531 0.889,532 0.566,533 0.458,534 0.209,535 0.031,536 4137,537 12914,538 2.017,539 42.1,541 7,543 1,544 2,546 6,549 1.653,550 1.833,551 2.92,552 0.393,553 1,554 1,556 1,558 65.208,559 1.716,560 3.88,561 4.484,562 4.609,563 4.609,564 4.609,565 2.244,566 4.096,567 4.431,568 3.037,569 701.588,570 7.655,571 7470.94,572 1,573 1,574 1,575 1,576 199.421,577 1.544,578 4.36,579 0.188,581 0.089,582 0.057,583 0.051,584 0.03,585 0.02,586 0.023,587 0.015,588 0.005,589 0.478,590 0.33,591 1,592 1.003,593 98.25,594 -0.034,595 -0.116,596 0.046,597 -0.074,598 -0.102,599 -0.008,600 -0.013,601 -0.01,602 0.227,603 0.171,604 0.052,605 0.237,606 0.011,607 -0.112,608 0.052,609 0.012,610 0.064,611 0.044,612 -0.051,613 0.038,614 -0.035,615 -0.004,616 -0.049,617 -0.015,618 -0.19,619 0.009,620 -0.277,621 -0.059,622 -0.154,623 -0.156,624 0.039,625 -0.213,626 -0.206,627 -0.371,628 0.011,629 -0.357,630 0.101,631 -0.009,632 -0.097,633 -0.138,634 -0.063,635 -0.159,636 0.265,637 0.02,638 0.309,639 0.016,640 0.35,641 0.133,642 2.094,643 5.612,644 0.682,645 14.818,646 1.017,647 1.146,648 3.54,649 12.533,650 0.658,651 3.219,652 3.584,653 3.912,654 4.22,655 4.477,656 4.605,657 4.682,658 4.787,659 4.745,660 4.635,661 4.745,662 0.641,663 301.36,664 3.219,665 4.779,666 5.659,667 6.569,668 7.476,669 8.394,670 9.31,671 10.232,672 11.151,673 12.075,674 13.2,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 1,715 1,716 38,718 16,719 1,720 24,722 40,723 15,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 4,756 1,757 1,758 1,760 16,761 6,762 2,763 7,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 3,825 1,827 22,828 1,835 1,837 1,849 1,850 2.6,855 1,858 12,859 7.86,860 4.861,861 2.191,863 3.155,864 1.453,865 0.979,866 3.709,867 10.117,868 3.497,869 4.186,870 4.882,871 5.555,872 6.142,873 6.55,874 6.98,875 7.429,876 7.679,877 7.931,878 0.8,879 38,880 8.097,881 3.45,882 7.932,883 15.065,884 12.095,885 2.432,886 53.5,890 164.795,891 92.504,892 84.908,894 11,895 14.96,897 92.504,898 175.795,899 99.868,900 28.533,902 61.326,903 63.72,904 44.275,905 17.288,906 153.024,908 164.795,909 177.412,910 25.96,913 109.129,914 81.626,917 32.518,918 94.66,919 50.234,921 179.756,922 95.908,923 92.504,926 164.795,927 26.923,928 67.357,930 109.091,931 164.795,932 110.868,933 92.504,935 0.59,936 0.363,937 0.201,938 0.114,939 18,940 9,941 0.075,942 3,943 1,944 1.133,945 3.227,946 181.529,947 0.133,948 15,949 96.107,954 14.73,955 5.54,956 2.432,957 1.311,958 109.091,959 5.979,960 12.889,964 1.377,965 1.776,966 32.897,967 368.167,968 32,980 38.651,981 43.532,983 0.327,984 0.739,985 0.854,986 0.878,987 0.878,988 0.878,989 4.745,990 1.062,991 5.68,992 3.827,993 4.263,994 4.871,995 0.908,996 6.567,997 4.156,998 5.996,999 0.815,1000 7.292,1001 2.759,1002 4.007,1003 4.856,1005 7.633,1006 3.858,1007 7.34,1008 0.525,1009 9.006,1010 2.05,1011 5.927,1012 7.211,1013 0.739,1014 10.774,1015 5.735,1016 8.726,1017 -0.132,1018 10.777,1019 0.884,1020 6.479,1021 8.036,1023 12.671,1024 6.245,1025 10.146,1026 -0.309,1027 12.584,1028 -0.255,1029 7.912,1030 9.887,1031 0.593,1032 15.356,1033 7.645,1034 11.591,1035 -0.759,1036 14.417,1037 -0.707,1038 8.817,1039 11.101,1041 17.597,1042 8.51,1043 13.055,1044 -0.849,1045 16.269,1046 -2,1047 10.077,1048 12.758,1049 0.469,1050 20.138,1051 9.739,1052 3.338,1053 -1,1054 18.136,1055 -2.058,1056 11.14,1057 14.153,1059 22.524,1060 10.764,1061 2.861,1062 12.087,1063 20.014,1064 -2.325,1065 12.342,1066 15.735,1067 0.366,1068 25.022,1069 11.935,1070 2.54,1071 9.116,1072 21.902,1073 4.732,1074 13.474,1075 17.214,1077 27.469,1078 13.031,1079 2.336,1080 8.33,1081 23.798,1082 3.899,1083 14.662,1084 18.77,1085 0.283,1086 29.958,1087 14.186,1088 1.743,1089 7.355,1090 25.701,1091 3.216,1092 15.826,1093 20.287,1095 32.429,1096 15.316,1097 1.539,1098 4.818,1099 27.611,1100 3.096,1101 17.013,1102 21.835,1103 0.217,1104 34.917,1105 16.469,1106 1.503,1107 4.123,1108 29.525,1109 2.249,1110 18.194,1111 23.37,1113 37.4,1114 17.615,1115 4176,1116 7498,1117 15.433,1118 24.989,1119 36.872,1120 37.532,1121 39.052,1122 36.554,1123 36.523,1124 49.016,1125 1.72,1126 110.7,1127 34.43,1128 5.44,1129 5.386,1130 6.567,1131 5.374,1132 5.338,1133 7.732,1134 1.72,1135 19.553,1136 5.217,1137 12.753,1138 1.536,1139 1.564,1140 1.627,1141 1.523,1142 1.522,1143 2.042,1144 0.072,1145 4.612,1146 1.435,1147 4.133,1148 4.18,1149 4.117,1150 3.993,1151 8.201,1152 4.016,1153 3.852,1154 3.878,1155 3.816,1156 3.732,1157 5.256,1158 3.749,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 4.884,1164 3.399,1165 3.276,1166 3.341,1167 3.167,1168 3.019,1169 4.751,1170 3.049,1171 3.172,1172 3.257,1173 3.018,1174 2.922,1175 4.512,1176 2.933,1177 3.003,1178 3.111,1179 2.886,1180 2.694,1181 4.307,1182 2.733,1183 2.874,1184 3.009,1185 2.718,1186 2.638,1187 4.046,1188 2.628,1189 2.804,1190 2.874,1191 2.563,1192 2.618,1193 3.687,1194 2.57,1195 0.198,1196 0.141,1197 0.293,1198 0.179,1199 0.139,1200 4.76,1201 0.197,1202 3.386,1203 0.036,1204 7.039,1205 0.504,1206 4.302,1207 0.134,1208 3.338,1209 4.732,1210 0.86,1211 12.087,1212 3.217,1213 1.924,1214 1.906,1215 1.989,1216 2.039,1217 1.153,1218 2.019,1219 1.794,1220 1.747,1221 1.944,1222 1.986,1223 1.106,1224 1.971,1225 1.61,1226 1.546,1227 1.769,1228 1.814,1229 0.827,1230 1.811,1231 1.215,1232 1.151,1233 1.571,1234 1.521,1235 0.574,1236 1.536,1237 1.11,1238 1.04,1239 1.417,1240 1.39,1241 0.469,1242 1.364,1243 0.934,1244 0.804,1245 1.25,1246 1.239,1247 0.251,1248 1.308,1249 0.874,1250 0.782,1251 1.147,1252 1.218,1253 0.141,1254 1.201,1255 0.789,1256 0.72,1257 1.052,1258 1.064,1259 0.033,1260 1.055,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.447,1268 7.081,1269 10.147,1271 5.421,1273 13.612,1275 5.999,1279 5.032,1281 0.105,1289 24.366,1290 65.208,1291 147.447,1292 170.402,1293 175.157,1294 175.157,1295 175.157,1296 37.831,1297 6.961,1298 78.85,1299 78.85,1300 17,1301 12.582,1302 4.087,1303 3.17,1304 34.146,1305 61,1306 62,1307 0.282,1308 151.15,1309 249.66,1310 360.565,1311 8101,1312 2.6,1313 15.853,1314 0.721,1315 0.57,1316 14.983,1317 12.539,1318 10.524,1319 0.439,1320 0.285,1321 6.706,1322 9.936,1323 6.472,1324 5.428,1325 10.113,1326 6.852,1327 9.676,1328 0.276,1329 0.148,1330 9.158,1331 5.194,1332 8.326,1333 0.17,1334 0.07,1335 7.8,1336 3.432,1337 7.05,1338 0.105,1339 0.035,1340 6.733,1341 2.365,1342 5.768,1343 0.066,1344 0.019,1345 5.588,1346 1.612,1347 0.419,1348 67.268,1349 0.255,1350 20.946,1351 0.853,1352 118,1353 419.739,1354 134.146,1355 378.867,1356 517.83,1357 354,1358 143,1359 390.172,1360 160.305,1361 388.166,1362 571.51,1363 363,1364 6.613}
{0 CHEMBL1241484,1 1.752,2 7.286,3 2.823,4 7.97,5 83.062,6 8.679,7 0.696,8 3.689,9 3.811,10 3.375,11 3.216,12 4.908,13 3.216,14 4.166,15 4.335,16 3.79,17 3.601,18 5.342,19 3.59,20 4.382,21 4.563,22 3.924,23 3.717,24 5.624,25 3.698,26 4.46,27 4.677,28 3.785,29 3.711,30 5.631,31 3.665,32 4.365,33 4.572,34 3.626,35 3.646,36 5.481,37 3.589,38 4.323,39 4.515,40 3.645,41 3.603,42 5.516,43 3.536,44 4.412,45 4.671,46 3.443,47 3.491,48 5.574,49 3.349,50 4.192,51 4.499,52 3.173,53 3.107,54 5.24,55 2.914,56 0.11,57 0.559,58 5.796,59 2.73,60 12.033,61 3.335,62 0.203,63 0.857,64 11.465,65 4.618,66 19.691,67 6.008,68 0.361,69 0.993,70 17.113,71 5.394,72 33.882,73 6.895,74 0.432,75 1.044,76 20.661,77 6.041,78 41.741,79 8.023,80 0.333,81 0.973,82 14.648,83 5.095,84 32.168,85 6.834,86 0.284,87 0.907,88 14.01,89 5.202,90 26.737,91 6.951,92 0.482,93 0.821,94 20.201,95 6.052,96 58.087,97 8.529,98 0.417,99 0.504,100 21.886,101 5.85,102 50.988,103 8.326,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.892,114 -4.64,115 -4.56,116 -4.29,118 40,119 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 1,175 2,178 5,180 1,181 1,182 5,186 3,188 5,191 2,192 7,194 3,195 3,197 2,199 4,201 1,204 5,206 1,208 3,211 2,213 2,215 5,218 1,220 3,223 5,225 3,228 1,231 2,232 1,234 1,235 2,240 2,245 3,249 1,260 2,264 530,265 13.776,266 13.776,267 13.776,268 13.776,269 13.776,270 11.84,271 12.009,272 7.818,273 14.185,274 11.301,275 11.301,276 11.301,277 11.301,278 11.301,279 8.368,280 8.708,281 3.657,282 12.044,283 3.378,284 1.097,285 0.693,286 0.557,287 0.557,288 0.557,289 3.777,290 1,292 1,293 1,294 1,295 323,296 2.646,299 39.793,300 107.231,303 76.128,307 1.061,308 22.794,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 45.833,320 153,321 4.76,322 3.382,323 7.039,324 4.301,325 3.338,326 4.732,328 12.086,329 3.216,330 4.216,331 3.175,332 6.179,333 3.767,334 2.827,335 3.879,337 8.977,338 2.652,339 3.814,340 2.686,341 5.927,342 3.477,343 2.533,344 3.214,346 8.067,347 2.382,348 3.679,349 2.451,350 5.657,351 3.254,352 2.321,353 3.085,355 7.235,356 2.12,357 3.03,358 1.888,359 4.819,360 2.683,361 1.743,362 2.244,364 4.818,365 1.635,366 2.98,367 1.816,368 4.469,369 2.443,370 1.508,371 2.126,373 4.123,374 1.405,375 2.82,376 1.53,377 4.039,378 2.346,379 1.414,380 1.948,382 3.512,383 1.279,384 2.521,385 1.092,386 3.86,387 2.003,388 1.062,389 1.531,391 2.758,392 0.991,393 2.127,394 0.872,395 3.49,396 1.772,397 0.815,398 1.033,400 2.05,401 0.772,402 1.371,403 0.585,404 2.736,405 0.925,406 0.103,407 0.124,409 0.227,410 0.072,411 1.058,412 -0.149,413 2.427,414 0.616,415 -0.294,416 -0.374,417 -0.685,418 -0.267,419 0.781,420 -0.284,421 2.375,422 0.35,423 -0.595,424 -0.77,425 -1.604,426 -0.539,427 0.621,428 -0.709,429 2.256,430 0.106,431 -0.815,432 -1,433 -2,434 -0.711,435 0.227,436 -0.856,437 2.131,439 -1,440 -1.114,441 -2.268,442 -0.887,444 -1,445 1.805,446 -0.151,447 -1.062,448 -1.285,449 -3.043,450 -1,451 10.048,452 0.478,453 0.686,454 0.033,455 29,456 1.381,457 15,458 0.714,459 14,460 0.667,461 15.87,462 0.756,463 22.352,464 0.639,465 19.967,466 0.951,467 5.545,468 0.264,469 4.441,470 0.211,471 0.244,473 0.438,478 0.888,479 1.24,480 0.605,481 0.874,482 1.031,483 0.818,484 0.679,485 1.11,486 0.551,487 0.815,488 0.55,489 0.741,490 1.004,491 1.223,492 0.845,493 0.955,494 0.794,495 0.88,496 0.969,497 0.924,498 0.992,499 0.931,500 0.882,501 0.929,502 0.98,503 1.111,504 0.802,505 0.952,506 0.808,507 1.06,508 0.823,509 1.347,510 0.861,511 1.252,512 0.906,513 1.27,514 0.8,515 0.893,516 0.932,517 1.035,518 0.994,519 1.164,520 0.814,521 0.643,522 0.776,523 0.869,524 1.02,525 0.846,526 4.5,528 3.111,529 2.042,530 1.807,531 0.827,532 0.566,533 0.386,534 0.148,535 0.016,536 3654,537 12107,538 2.018,539 40,541 4,543 1,544 3,546 6,549 1.64,550 1.826,551 2.878,552 1.156,554 1,556 1,558 61.309,559 1.752,560 4.032,561 4.436,562 4.572,563 4.572,564 4.572,565 2.244,566 4.202,567 4.364,568 2.982,569 626.115,570 7.519,571 6413.99,572 1,573 1,574 1,575 1,576 179.525,577 1.545,578 4.289,579 0.196,581 0.092,582 0.057,583 0.055,584 0.03,585 0.022,586 0.023,587 0.015,588 0.005,589 0.493,590 0.33,591 1,592 0.911,593 91.933,594 -0.098,595 -0.037,596 -0.001,597 0.047,598 -0.22,599 0.044,600 0.083,601 0.016,602 0.164,603 0.117,604 0.109,605 0.171,606 -0.038,607 -0.144,608 0.034,609 -0.025,610 0.075,611 0.022,612 -0.047,613 0.12,614 -0.099,615 -0.012,616 -0.042,617 -0.005,618 -0.173,619 -0.025,620 -0.157,621 -0.073,622 -0.071,623 -0.16,624 -0.016,625 -0.285,626 -0.137,627 -0.337,628 -0.06,629 -0.353,630 0.125,631 0.018,632 -0.019,633 -0.088,634 0.022,635 -0.166,636 0.269,637 0.032,638 0.421,639 0.203,640 0.222,641 0.305,642 1.67,643 3.79,644 0.714,645 13.56,646 1.017,647 1.135,648 3.415,649 11.66,650 0.69,651 3.178,652 3.555,653 3.871,654 4.174,655 4.443,656 4.564,657 4.625,658 4.71,659 4.644,660 4.511,661 4.558,662 0.665,663 303.78,664 3.178,665 4.745,666 5.624,667 6.535,668 7.441,669 8.36,670 9.275,671 10.198,672 11.117,673 12.041,674 14.3,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 35,718 16,719 1,720 23,722 37,723 14,724 11,725 3,726 3,728 3,729 4,730 1,732 2,738 1,740 11,741 3,756 1,757 1,760 14,761 5,762 3,763 7,764 1,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,824 1,827 21,828 1,832 1,837 1,849 1,850 2.9,852 1,858 11.5,859 6.893,860 4.528,861 2.033,863 3.139,864 1.457,865 0.966,866 3.472,867 10.002,868 3.466,869 4.171,870 4.859,871 5.531,872 6.123,873 6.526,874 6.946,875 7.39,876 7.628,877 7.866,878 0.8,879 36,880 7.697,881 3.304,882 7.886,883 14.371,884 11.728,885 2.386,886 50.111,890 129.482,891 70.757,892 84.908,893 39.149,894 42.683,897 70.757,898 211.314,899 84.908,900 17.65,902 61.326,903 106.404,904 22.411,905 2.328,906 117.711,907 39.149,908 129.482,909 155.665,910 42.683,911 39.149,913 58.856,914 113.31,917 32.518,918 72.913,919 89.383,921 129.482,922 127.591,923 109.906,926 129.482,927 16.059,928 56.474,930 164.963,931 129.482,932 127.591,933 109.906,935 0.599,936 0.36,937 0.193,938 0.114,939 18,940 9,941 0.054,942 2,943 1,944 1.133,945 3.144,946 170.795,947 0.133,948 15,949 90.239,954 14.108,955 5.168,956 2.324,957 1.342,958 125.815,959 6.371,960 12.872,964 1.982,965 1.786,966 75.581,967 366.979,968 31,980 35.578,981 39.721,983 0.342,984 0.786,985 0.865,986 0.891,987 0.891,988 0.891,989 4.718,990 1.062,991 5.652,992 3.512,993 4.234,994 4.856,996 6.538,997 4.116,998 5.979,999 0.815,1000 7.266,1001 2.758,1002 4.007,1003 4.856,1005 7.597,1006 3.819,1007 7.325,1008 0.103,1009 8.98,1010 2.05,1011 5.9,1012 7.201,1014 10.742,1015 5.691,1016 8.712,1017 -0.294,1018 10.751,1019 0.227,1020 6.463,1021 8.029,1023 12.635,1024 6.194,1025 10.132,1026 -0.595,1027 12.558,1028 -0.685,1029 7.886,1030 9.879,1032 15.326,1033 7.598,1034 11.577,1035 -0.815,1036 14.391,1037 -1.604,1038 8.796,1039 11.093,1041 17.569,1042 8.461,1043 13.041,1044 -1,1045 16.242,1046 -2,1047 10.054,1048 12.75,1050 20.115,1051 9.694,1052 3.338,1053 -1.062,1054 18.109,1055 -2.268,1056 11.117,1057 14.146,1059 22.504,1060 10.719,1061 2.827,1062 12.086,1063 19.987,1064 -3.043,1065 12.32,1066 15.729,1068 25.007,1069 11.894,1070 2.533,1071 8.977,1072 21.876,1073 4.732,1074 13.453,1075 17.208,1077 27.456,1078 12.992,1079 2.321,1080 8.067,1081 23.773,1082 3.879,1083 14.641,1084 18.765,1086 29.947,1087 14.151,1088 1.743,1089 7.235,1090 25.677,1091 3.214,1092 15.807,1093 20.281,1095 32.421,1096 15.283,1097 1.508,1098 4.818,1099 27.587,1100 3.085,1101 16.995,1102 21.831,1104 34.91,1105 16.439,1106 1.414,1107 4.123,1108 29.503,1109 2.244,1110 18.176,1111 23.366,1113 37.394,1114 17.587,1115 3681,1116 6819,1117 14.74,1118 24.148,1119 35.678,1120 36.155,1121 37.742,1122 35.344,1123 35.327,1124 47.83,1126 107.705,1127 33.049,1128 5.427,1129 5.382,1130 6.567,1131 5.374,1132 5.338,1133 7.732,1135 19.551,1136 5.216,1137 12.257,1138 1.551,1139 1.572,1140 1.641,1141 1.537,1142 1.536,1143 2.08,1145 4.683,1146 1.437,1147 4.132,1148 4.178,1149 4.13,1150 3.996,1151 6.471,1152 4.017,1153 3.84,1154 3.861,1155 3.947,1156 3.745,1157 5.255,1158 3.753,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 4.892,1164 3.399,1165 3.21,1166 3.287,1167 3.348,1168 3.007,1169 4.81,1170 3.029,1171 3.006,1172 3.112,1173 3.009,1174 2.746,1175 4.519,1176 2.751,1177 2.93,1178 3.009,1179 2.864,1180 2.705,1181 4.247,1182 2.737,1183 2.874,1184 2.97,1185 2.804,1186 2.624,1187 4.021,1188 2.626,1189 2.781,1190 2.83,1191 2.499,1192 2.618,1193 3.676,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.76,1201 0.206,1202 3.382,1204 7.039,1205 0.525,1206 4.301,1207 0.14,1208 3.338,1209 4.732,1211 12.086,1212 3.216,1213 1.924,1214 1.907,1215 1.98,1216 2.035,1217 1.153,1218 2.015,1219 1.794,1220 1.747,1221 1.942,1222 1.971,1223 1.105,1224 1.965,1225 1.609,1226 1.546,1227 1.764,1228 1.803,1229 0.826,1230 1.805,1231 1.14,1232 1.088,1233 1.417,1234 1.401,1235 0.469,1236 1.37,1237 0.934,1238 0.839,1239 1.247,1240 1.239,1241 0.263,1242 1.308,1243 0.883,1244 0.804,1245 1.15,1246 1.221,1247 0.139,1248 1.203,1249 0.875,1250 0.783,1251 1.108,1252 1.134,1253 0.034,1254 1.13,1255 0.76,1256 0.671,1257 0.989,1258 1.055,1260 1.049,1261 3.85,1263 5.209,1264 2.398,1265 6.767,1266 4.844,1267 8.418,1268 7.081,1269 10.117,1271 4.016,1272 5.848,1275 5.983,1276 9.79,1281 0.122,1289 23.283,1290 61.309,1291 141.119,1292 155.26,1293 160.015,1294 160.015,1295 160.015,1296 33.951,1297 6.863,1298 89.85,1299 89.85,1300 17,1301 12.548,1302 4.087,1303 3.17,1304 31.867,1305 56,1306 59,1307 0.289,1308 148.692,1309 241.5,1310 354.568,1311 7124,1312 2.9,1313 15.146,1314 0.721,1315 0.587,1316 15.646,1317 12.334,1318 9.986,1319 0.434,1320 0.297,1321 6.399,1322 9.306,1323 6.163,1324 5.141,1325 10.275,1326 6.841,1327 9.485,1328 0.279,1329 0.159,1330 9.855,1331 5.418,1332 8.038,1333 0.171,1334 0.075,1335 8.466,1336 3.546,1337 6.619,1338 0.103,1339 0.036,1340 6.77,1341 2.335,1342 5.55,1343 0.066,1344 0.02,1345 5.745,1346 1.647,1347 0.427,1348 65.812,1349 0.26,1350 20.069,1351 0.881,1352 114,1353 344.246,1354 141.059,1355 368.887,1356 501.13,1357 342,1358 138,1359 362.186,1360 162.982,1361 375.745,1362 553.82,1363 353,1364 6.975}
{0 CHEMBL1241485,1 1.593,2 7.364,3 1.663,4 2.766,5 87.727,6 7.46,7 0.667,8 3.807,9 3.948,10 3.371,11 3.266,12 4.984,13 3.27,14 4.297,15 4.489,16 3.741,17 3.635,18 5.388,19 3.629,20 4.458,21 4.649,22 3.848,23 3.768,24 5.599,25 3.754,26 4.606,27 4.829,28 3.825,29 3.826,30 5.715,31 3.78,32 4.581,33 4.814,34 3.66,35 3.8,36 5.59,37 3.72,38 4.51,39 4.734,40 3.617,41 3.721,42 5.575,43 3.636,44 4.555,45 4.826,46 3.383,47 3.594,48 5.584,49 3.469,50 4.393,51 4.696,52 3.059,53 3.309,54 5.312,55 3.152,56 0.081,57 0.643,58 8.439,59 3.029,60 11.873,61 4.311,62 0.231,63 0.96,64 15.417,65 5.011,66 21.056,67 7.279,68 0.253,69 1.128,70 17.86,71 5.345,72 23.917,73 8.197,74 0.386,75 1.215,76 21.87,77 6.469,78 37.942,79 9.774,80 0.326,81 1.153,82 21.385,83 6.354,84 32.097,85 9.892,86 0.236,87 1.069,88 19.555,89 6.36,90 28.114,91 9.727,92 0.462,93 0.972,94 22.347,95 6.02,96 47.997,97 9.718,98 0.323,99 0.725,100 20.179,101 5.883,102 36.564,103 9.115,104 30,105 35,106 0.282,107 0.677,108 0.788,109 0.827,110 0.827,111 0.827,112 3.148,113 0.869,114 -3.89,115 -3.84,116 -3.65,118 37.5,119 2,123 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 2,159 2,160 2,161 1,167 3,170 2,171 8,172 1,173 1,175 2,178 4,180 2,181 1,182 7,183 1,184 1,186 2,188 3,190 2,191 2,192 8,194 3,195 3,197 2,199 3,201 2,203 1,204 6,208 2,211 2,213 2,214 1,215 4,217 1,218 1,220 4,223 4,225 4,227 2,230 2,231 2,235 2,240 2,242 2,243 2,244 1,246 2,250 1,257 2,262 2,264 610,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.762,271 15.194,272 8.34,273 15.096,274 11.738,275 11.738,276 11.738,277 11.738,278 11.738,279 8.794,280 13.155,281 3.808,282 12.373,283 3.729,284 1.499,285 0.875,286 0.657,287 0.657,288 0.657,289 3.822,292 1,293 1,294 1,295 340,296 2.828,299 42.346,300 114.652,303 80.972,307 1.091,308 19.705,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 48,320 162,321 4.76,322 3.379,323 7.039,324 4.302,325 3.338,326 4.732,327 0.86,328 12.087,329 3.218,330 4.239,331 3.068,332 6.203,333 3.822,334 2.861,335 3.899,337 9.116,338 2.748,339 3.818,340 2.676,341 6.004,342 3.492,343 2.54,344 3.216,346 8.33,347 2.415,348 3.69,349 2.42,350 5.688,351 3.291,352 2.336,353 3.096,355 7.355,356 2.229,357 3.031,358 1.883,359 4.819,360 2.683,361 1.743,362 2.249,364 4.818,365 1.636,366 2.984,367 1.82,368 4.469,369 2.478,370 1.539,371 2.127,373 4.123,374 1.438,375 2.881,376 1.521,377 4.202,378 2.446,379 1.503,380 2.018,382 3.827,383 1.413,384 2.521,385 1.07,386 3.861,387 2.008,388 1.062,389 1.531,391 2.759,392 1.002,393 2.127,394 0.94,395 3.491,396 1.778,397 0.815,398 1.033,400 2.05,401 0.783,402 1.718,403 0.851,404 2.879,405 1.413,406 0.525,407 0.608,409 0.884,410 0.461,411 1.125,412 0.157,413 2.693,414 0.799,415 -0.132,416 -0.157,417 -0.255,418 -0.122,419 1.047,420 -0.164,421 2.425,422 0.602,423 -0.309,424 -0.396,425 -0.707,426 -0.281,427 0.648,428 -0.554,429 2.257,430 0.18,431 -0.759,432 -1,433 -2,434 -0.706,435 0.577,436 -0.766,437 2.199,438 0.106,439 -0.849,440 -1.002,441 -2.058,442 -0.799,443 0.215,444 -0.948,445 2,447 -1,448 -1.141,449 -2.325,450 -1,451 10.233,452 0.465,453 0.648,454 0.029,455 30.25,456 1.375,457 15.5,458 0.705,459 14.75,460 0.67,461 16.472,462 0.749,463 23.967,464 0.599,465 21.694,466 0.986,467 5.939,468 0.27,469 4.585,470 0.208,471 0.225,473 0.43,478 0.989,479 1.328,480 0.814,481 1.089,482 1.233,483 0.94,484 1.041,485 1.068,486 0.69,487 0.833,488 0.697,489 0.733,490 1.051,491 1.29,492 0.884,493 1.025,494 0.8,495 0.934,496 1.075,497 1.01,498 0.997,499 0.979,500 1.012,501 0.977,502 1.035,503 1.073,504 1.143,505 1.068,506 0.999,507 1.104,508 0.784,509 1.299,510 1.055,511 1.314,512 0.901,513 1.241,514 0.929,515 0.916,516 1.175,517 1.068,518 1.289,519 1.139,520 0.909,521 0.837,522 0.903,523 1.004,524 0.55,525 0.978,526 4.5,528 3.111,529 2.167,530 1.847,531 0.889,532 0.566,533 0.458,534 0.209,535 0.031,536 4137,537 11266,538 2.017,539 45,541 7,543 1,544 4,546 6,549 1.653,550 1.833,551 2.92,552 1.914,553 1,554 1,556 1,558 63.705,559 1.593,560 3.823,561 4.446,562 4.665,563 4.665,564 4.665,565 2.244,566 4.096,567 4.431,568 3.037,569 701.588,570 7.655,571 7470.94,572 1,573 1,575 1,576 212.877,577 1.544,578 4.36,579 0.188,581 0.089,582 0.057,583 0.051,584 0.03,585 0.02,586 0.023,587 0.015,588 0.005,589 0.478,590 0.5,591 1,592 1.003,593 98.25,594 -0.066,595 -0.066,596 0.039,597 -0.016,598 -0.253,599 0.027,600 0.03,601 0.042,602 0.24,603 0.197,604 0.124,605 0.239,606 -0.042,607 -0.145,608 0.033,609 -0.026,610 0.074,611 0.013,612 -0.032,613 0.06,614 -0.046,615 -0.009,616 -0.025,617 -0.032,618 -0.153,619 -0.019,620 -0.208,621 -0.081,622 -0.143,623 -0.137,624 0.037,625 -0.26,626 -0.131,627 -0.294,628 0.011,629 -0.248,630 0.069,631 0.025,632 -0.179,633 -0.138,634 -0.167,635 -0.185,636 0.126,637 -0.057,638 0.141,639 -0.041,640 0.359,641 0.033,642 1.261,643 2.048,644 0.682,645 14.818,646 1.006,647 1.142,648 2.656,649 7.052,650 0.651,651 3.219,652 3.584,653 3.912,654 4.22,655 4.477,656 4.605,657 4.682,658 4.787,659 4.745,660 4.635,661 4.745,662 0.625,663 298.39,664 3.219,665 4.779,666 5.659,667 6.569,668 7.476,669 8.394,670 9.31,671 10.232,672 11.151,673 12.075,674 15,678 2,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 2,714 1,716 40,718 16,719 1,720 24,722 42,723 15,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 4,756 1,757 1,760 18,761 6,762 4,763 7,769 6,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 3,827 22,828 2,835 1,837 1,850 2.5,855 1,858 12,859 8.05,860 4.861,861 2.239,863 3.155,864 1.453,865 0.985,866 3.726,867 10.117,868 3.497,869 4.186,870 4.882,871 5.555,872 6.142,873 6.55,874 6.98,875 7.429,876 7.679,877 7.931,878 0.8,879 38,880 8.053,881 3.372,882 7.75,883 15.212,884 12.209,885 2.25,886 49.5,890 164.795,891 86.139,892 117.805,894 11,897 86.139,898 175.795,899 117.805,900 28.533,902 94.223,903 63.72,904 37.911,905 2.328,906 153.024,908 164.795,909 203.945,910 11,913 94.169,914 81.626,917 32.518,918 121.193,919 50.234,921 164.795,922 128.805,923 86.139,926 164.795,927 20.559,928 67.357,930 127.028,931 164.795,932 128.805,933 86.139,935 0.59,936 0.363,937 0.201,938 0.114,939 18,940 9,941 0.071,942 3,943 1,944 1.133,945 3.227,946 181.529,947 0.133,948 15,949 96.107,954 14.755,955 5.555,956 2.44,957 1.455,958 127.028,959 6.963,960 13.069,964 3.156,965 1.839,966 65.794,967 379.74,968 32,980 40.24,981 45.69,983 0.299,984 0.718,985 0.835,986 0.877,987 0.877,988 0.877,989 4.745,990 1.062,991 5.68,992 3.827,993 4.263,994 4.871,995 0.908,996 6.567,997 4.168,998 5.996,999 0.815,1000 7.292,1001 2.759,1002 4.007,1003 4.856,1005 7.633,1006 3.883,1007 7.34,1008 0.525,1009 9.006,1010 2.05,1011 5.927,1012 7.211,1013 0.739,1014 10.774,1015 5.755,1016 8.726,1017 -0.132,1018 10.777,1019 0.884,1020 6.479,1021 8.036,1023 12.671,1024 6.275,1025 10.146,1026 -0.309,1027 12.584,1028 -0.255,1029 7.912,1030 9.887,1031 0.593,1032 15.356,1033 7.671,1034 11.591,1035 -0.759,1036 14.417,1037 -0.707,1038 8.817,1039 11.101,1041 17.597,1042 8.541,1043 13.055,1044 -0.849,1045 16.269,1046 -2,1047 10.077,1048 12.758,1049 0.469,1050 20.138,1051 9.767,1052 3.338,1053 -1,1054 18.136,1055 -2.058,1056 11.14,1057 14.153,1059 22.524,1060 10.793,1061 2.861,1062 12.087,1063 20.014,1064 -2.325,1065 12.342,1066 15.735,1067 0.366,1068 25.022,1069 11.962,1070 2.54,1071 9.116,1072 21.902,1073 4.732,1074 13.474,1075 17.214,1077 27.469,1078 13.058,1079 2.336,1080 8.33,1081 23.798,1082 3.899,1083 14.662,1084 18.77,1085 0.283,1086 29.958,1087 14.211,1088 1.743,1089 7.355,1090 25.701,1091 3.216,1092 15.826,1093 20.287,1095 32.429,1096 15.34,1097 1.539,1098 4.818,1099 27.611,1100 3.096,1101 17.013,1102 21.835,1103 0.217,1104 34.917,1105 16.492,1106 1.503,1107 4.123,1108 29.525,1109 2.249,1110 18.194,1111 23.37,1113 37.4,1114 17.637,1115 4176,1116 7006,1117 15.433,1118 26.057,1119 36.872,1120 36.89,1121 39.052,1122 36.511,1123 36.523,1124 49.016,1125 1.72,1126 110.7,1127 34.686,1128 5.44,1129 5.379,1130 6.567,1131 5.375,1132 5.338,1133 7.732,1134 1.72,1135 19.553,1136 5.218,1137 12.753,1138 1.536,1139 1.537,1140 1.627,1141 1.521,1142 1.522,1143 2.042,1144 0.072,1145 4.612,1146 1.445,1147 4.133,1148 4.18,1149 4.116,1150 3.995,1151 5.26,1152 4.018,1153 3.857,1154 3.889,1155 3.81,1156 3.74,1157 5.121,1158 3.755,1159 3.577,1160 3.654,1161 3.445,1162 3.407,1163 4.864,1164 3.399,1165 3.28,1166 3.346,1167 3.171,1168 3.033,1169 4.643,1170 3.062,1171 3.189,1172 3.277,1173 3.022,1174 2.931,1175 4.512,1176 2.941,1177 3.021,1178 3.137,1179 2.892,1180 2.712,1181 4.282,1182 2.748,1183 2.912,1184 3.028,1185 2.765,1186 2.644,1187 4.036,1188 2.66,1189 2.874,1190 3.009,1191 2.571,1192 2.618,1193 3.683,1194 2.599,1195 0.198,1196 0.141,1197 0.293,1198 0.179,1199 0.139,1200 4.76,1201 0.197,1202 3.379,1203 0.036,1204 7.039,1205 0.504,1206 4.302,1207 0.134,1208 3.338,1209 4.732,1210 0.86,1211 12.087,1212 3.218,1213 1.931,1214 1.911,1215 2.003,1216 2.042,1217 1.154,1218 2.026,1219 1.798,1220 1.75,1221 1.945,1222 1.993,1223 1.115,1224 1.977,1225 1.613,1226 1.549,1227 1.776,1228 1.819,1229 0.834,1230 1.817,1231 1.221,1232 1.157,1233 1.571,1234 1.521,1235 0.574,1236 1.536,1237 1.14,1238 1.063,1239 1.417,1240 1.426,1241 0.469,1242 1.408,1243 0.934,1244 0.807,1245 1.318,1246 1.29,1247 0.277,1248 1.308,1249 0.912,1250 0.804,1251 1.196,1252 1.239,1253 0.144,1254 1.278,1255 0.797,1256 0.725,1257 1.098,1258 1.131,1259 0.037,1260 1.114,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.447,1268 7.081,1269 10.147,1271 5.661,1275 11.922,1279 5.282,1281 0.154,1289 25.004,1290 63.705,1291 152.903,1292 177.858,1293 186.612,1294 186.612,1295 186.612,1296 31.893,1297 6.961,1298 104.87,1299 104.87,1300 17,1301 12.582,1302 4.087,1303 3.17,1304 34.146,1305 61,1306 62,1307 0.282,1308 156.746,1309 254.59,1310 374.219,1311 8101,1313 15.853,1314 0.721,1315 0.579,1316 15.853,1317 12.739,1318 10.524,1319 0.439,1320 0.29,1321 6.821,1322 10.012,1323 6.563,1324 5.529,1325 10.524,1326 6.951,1327 9.676,1328 0.276,1329 0.151,1330 9.676,1331 5.301,1332 8.326,1333 0.17,1334 0.072,1335 8.326,1336 3.514,1337 7.05,1338 0.105,1339 0.036,1340 7.05,1341 2.416,1342 5.768,1343 0.066,1344 0.019,1345 5.768,1346 1.645,1347 0.419,1348 66.691,1349 0.255,1350 20.946,1351 0.853,1352 118,1353 342.94,1354 131.342,1355 335.277,1356 470.47,1357 314,1358 143,1359 365.684,1360 157.674,1361 371.322,1362 544.95,1363 347,1364 5.58}
{0 CHEMBL1241486,1 1.592,2 9.5,3 2.057,4 4.229,5 103.931,6 7.13,7 0.571,8 4.013,9 4.151,10 3.53,11 3.45,12 5.144,13 3.445,14 4.532,15 4.73,16 3.888,17 3.821,18 5.576,19 3.802,20 4.732,21 4.946,22 4.008,23 3.975,24 5.808,25 3.943,26 4.867,27 5.099,28 4.019,29 4.057,30 5.922,31 4,32 4.844,33 5.062,34 3.943,35 4.075,36 5.849,37 3.997,38 4.869,39 5.084,40 3.893,41 4.037,42 5.943,43 3.943,44 4.897,45 5.173,46 3.641,47 3.913,48 5.863,49 3.77,50 4.737,51 5.043,52 3.437,53 3.663,54 5.582,55 3.517,56 0.09,57 0.765,58 11.261,59 4.007,60 14.412,61 5.817,62 0.289,63 1.158,64 20.582,65 6.347,66 31.128,67 9.593,68 0.396,69 1.379,70 25.426,71 7.103,72 34.743,73 11.439,74 0.493,75 1.487,76 29.824,77 8.8,78 51.973,79 13.493,80 0.356,81 1.467,82 28.377,83 8.934,84 36.084,85 13.704,86 0.474,87 1.419,88 29.523,89 9.448,90 51.817,91 14.19,92 0.566,93 1.296,94 32.013,95 9.051,96 63.282,97 14.512,98 0.443,99 1.014,100 28.25,101 7.986,102 45.552,103 12.644,104 48,105 40,106 0.269,107 0.65,108 0.79,109 0.822,110 0.85,111 0.85,112 3.305,113 0.911,114 -3.87,115 -3.83,116 -3.63,118 36,119 3,123 1,124 1,126 2,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 8,172 1,173 1,175 3,178 4,180 1,181 1,182 7,184 1,185 1,186 3,188 3,191 2,192 8,194 3,195 3,197 2,199 4,201 1,203 1,204 7,208 3,211 4,213 2,214 1,215 4,218 2,220 6,223 5,225 3,227 2,230 1,231 2,233 1,235 2,240 3,243 2,244 1,246 1,247 1,252 1,255 1,257 3,264 962,265 17.378,266 17.378,267 17.378,268 17.378,269 17.378,270 15.547,271 20.828,272 9.992,273 17.897,274 13.659,275 13.659,276 13.659,277 13.659,278 13.659,279 10.737,280 24.881,281 4.533,282 14.418,283 4.052,284 1.805,285 0.976,286 0.786,287 0.62,288 0.62,289 3.981,292 1,293 1,294 1,295 517,296 3.606,299 55.938,300 148.651,303 106.01,307 1.615,308 24.731,310 1,311 1,312 1,313 1,314 1,315 0.5,316 1,317 1,318 0.93,319 57,320 247,321 4.76,322 3.38,323 7.039,324 4.302,325 3.339,326 4.732,327 0.86,328 12.088,329 3.219,330 4.271,331 3.131,332 6.251,333 3.873,334 2.915,335 3.92,336 0.4,337 9.387,338 2.789,339 3.827,340 2.687,341 6.074,342 3.516,343 2.561,344 3.221,346 8.582,347 2.44,348 3.718,349 2.535,350 5.716,351 3.357,352 2.4,353 3.119,355 7.476,356 2.293,357 3.273,358 2.392,359 5.001,360 3.135,361 2.186,362 2.348,364 5.862,365 2.07,366 3.029,367 1.857,368 4.819,369 2.683,370 1.743,371 2.214,373 4.818,374 1.636,375 2.98,376 1.818,377 4.474,378 2.475,379 1.535,380 2.126,382 4.152,383 1.436,384 2.848,385 1.528,386 4.264,387 2.442,388 1.498,389 1.958,391 3.899,392 1.41,393 2.52,394 1.1,395 3.862,396 2.011,397 1.065,398 1.529,400 2.763,401 1.004,402 2.128,403 0.984,404 3.492,405 1.783,406 0.821,407 1.035,409 2.06,410 0.788,411 1.758,412 0.937,413 3.051,414 1.465,415 0.566,416 0.656,417 1.052,418 0.503,419 1.405,420 0.841,421 2.709,422 1.213,423 0.353,424 0.365,425 0.48,426 0.3,427 1.097,428 0.203,429 2.616,430 0.829,431 -0.095,432 -0.107,433 -0.176,434 -0.087,435 1.044,436 -0.161,437 2.424,438 0.611,439 -0.301,440 -0.383,441 -0.696,442 -0.274,443 0.662,444 -0.502,445 2.257,446 0.248,447 -0.709,448 -0.88,449 -1.938,450 -0.675,451 12.067,452 0.464,453 0.716,454 0.028,455 32.75,456 1.26,457 15.5,458 0.596,459 17.25,460 0.663,461 22.978,462 0.884,463 29.333,464 0.587,465 25.184,466 0.969,467 6.381,468 0.245,469 6.075,470 0.234,471 0.227,473 0.406,478 0.985,479 1.441,480 0.863,481 1.191,482 1.097,483 1.03,484 1.061,485 1.153,486 0.786,487 0.908,488 0.849,489 0.821,490 0.984,491 1.18,492 0.903,493 0.954,494 0.745,495 0.906,496 1.053,497 0.949,498 0.939,499 0.906,500 1.042,501 0.904,502 0.988,503 1.146,504 1.099,505 1.157,506 0.747,507 1.139,508 0.998,509 1.274,510 1.144,511 1.316,512 0.942,513 1.275,514 0.87,515 0.97,516 1.094,517 1.093,518 1.074,519 1.124,520 0.884,521 0.825,522 0.8,523 0.865,524 0.769,525 0.838,526 5.5,527 0.14,528 3.333,529 2.292,530 2.207,531 1.118,532 0.707,533 0.517,534 0.265,535 0.211,536 6789,537 18174,538 1.992,539 48,541 10,543 1,544 4,546 9,549 1.696,550 1.814,551 3.211,552 1.773,553 1,554 1,558 79.585,559 1.592,560 3.839,561 4.668,562 4.858,563 5.023,564 5.023,565 2.738,566 4.547,567 4.669,568 3.379,569 1098.33,570 8.119,571 13299,573 1,575 1,576 282.193,577 1.549,578 4.601,579 0.196,580 0.01,581 0.083,582 0.052,583 0.05,584 0.028,585 0.02,586 0.02,587 0.012,588 0.012,589 0.483,590 0.17,591 1,592 1.39,593 125.173,594 -0.065,595 -0.133,596 0.037,597 -0.044,598 -0.181,599 0.005,600 -0.024,601 -0.013,602 0.17,603 0.14,604 0.012,605 0.174,606 -0.01,607 -0.037,608 0.056,609 0.049,610 0.053,611 0.065,612 -0.043,613 0.119,614 0.032,615 0.092,616 -0.054,617 0.073,618 -0.113,619 -0.039,620 -0.162,621 -0.112,622 -0.05,623 -0.134,624 0.024,625 -0.228,626 -0.19,627 -0.265,628 0.004,629 -0.268,630 0.048,631 -0.034,632 -0.113,633 -0.134,634 -0.101,635 -0.148,636 0.08,637 -0.017,638 0.209,639 0.077,640 0.104,641 0.147,642 1.47,643 3.252,644 0.577,645 22.615,646 1.004,647 1.143,648 2.637,649 6.956,650 0.636,651 3.367,652 3.714,653 4.025,654 4.331,655 4.595,656 4.727,657 4.828,658 4.963,659 4.997,660 5.024,661 5.756,662 0.606,663 356.48,664 3.367,665 4.92,666 5.79,667 6.693,668 7.592,669 8.506,670 9.416,671 10.334,672 11.249,673 12.17,674 12,678 1,679 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,709 1,714 1,716 50,718 16,719 1,720 28,722 52,723 18,724 11,725 3,726 3,728 3,729 4,732 4,738 2,740 11,741 7,756 1,757 1,760 24,761 7,762 4,763 8,769 6,775 0.667,776 2,777 1,785 1,788 1,793 1,794 2,797 1,817 1,819 2,823 4,827 26,828 1,832 1,833 1,834 1,835 1,837 2,850 4,851 1,855 1,858 14.333,859 10,860 5.861,861 2.901,863 3.166,864 1.434,865 0.933,866 5.416,867 10.455,868 3.611,869 4.259,870 4.934,871 5.604,872 6.191,873 6.605,874 7.05,875 7.509,876 7.797,877 8.107,878 1,879 44,880 9.559,881 3.969,882 7.763,883 18.142,884 14.512,885 2.263,886 58.833,890 235.422,891 94.965,892 102.919,894 53.683,897 94.965,898 289.105,899 102.919,900 37.359,902 104.009,903 81.731,904 37.911,905 2.328,906 223.651,908 235.422,909 197.883,910 53.683,913 129.482,914 116.94,915 42.683,917 41.343,918 88.296,919 68.245,921 235.422,922 156.602,923 94.965,926 235.422,927 20.559,928 76.183,929 18.011,930 136.814,931 235.422,932 156.602,933 94.965,935 0.582,936 0.353,937 0.194,938 0.114,939 19,940 10,941 0.115,942 6,943 1,944 1.133,945 3.574,946 223.858,947 0.133,948 15,949 120.211,954 18.579,955 7.579,956 3.543,957 1.435,958 154.825,959 7.186,960 13.197,964 3.425,965 1.842,966 93.591,967 486.989,968 36,980 50.218,981 57.145,983 0.282,984 0.68,985 0.827,986 0.861,987 0.89,988 0.89,989 4.86,990 1.498,991 5.802,992 4.152,993 4.394,994 4.945,995 1.029,996 6.673,997 4.296,998 6.091,999 1.065,1000 7.403,1001 3.899,1002 4.111,1003 4.902,1005 7.716,1006 3.989,1007 7.424,1008 0.821,1009 9.105,1010 2.763,1011 6.043,1012 7.247,1013 0.763,1014 10.851,1015 5.863,1016 8.798,1017 0.566,1018 10.865,1019 2.06,1020 6.567,1021 8.059,1023 12.731,1024 6.36,1025 10.208,1026 0.353,1027 12.663,1028 1.052,1029 8.003,1030 9.906,1031 0.597,1032 15.411,1033 7.753,1034 11.644,1035 -0.095,1036 14.488,1037 0.48,1038 8.889,1039 11.115,1041 17.642,1042 8.606,1043 13.102,1044 -0.301,1045 16.333,1046 -0.176,1047 10.149,1048 12.77,1049 0.47,1050 20.178,1051 9.828,1052 3.339,1053 -0.709,1054 18.193,1055 -0.696,1056 11.199,1057 14.164,1059 22.557,1060 10.844,1061 2.915,1062 12.088,1063 20.066,1064 -1.938,1065 12.399,1066 15.744,1067 0.367,1068 25.051,1069 12.009,1070 2.561,1071 9.387,1072 21.95,1073 4.732,1074 13.524,1075 17.222,1077 27.492,1078 13.099,1079 2.4,1080 8.582,1081 23.842,1082 3.92,1083 14.709,1084 18.777,1085 0.283,1086 29.977,1087 14.249,1088 2.186,1089 7.476,1090 25.742,1091 3.221,1092 15.868,1093 20.293,1095 32.445,1096 15.374,1097 1.743,1098 5.862,1099 27.648,1100 3.119,1101 17.052,1102 21.841,1103 0.217,1104 34.93,1105 16.523,1106 1.535,1107 4.818,1108 29.56,1109 2.348,1110 18.229,1111 23.375,1113 37.411,1114 17.665,1115 6856,1116 11333,1117 17.918,1118 31.796,1119 42.183,1120 42.907,1121 45.232,1122 41.88,1123 41.962,1124 54.445,1125 2.52,1126 125.237,1127 39.777,1128 5.571,1129 5.38,1130 6.591,1131 5.375,1132 5.339,1133 7.732,1134 1.72,1135 19.555,1136 5.219,1137 15.994,1138 1.507,1139 1.532,1140 1.615,1141 1.496,1142 1.499,1143 1.944,1144 0.09,1145 4.473,1146 1.421,1147 4.136,1148 4.182,1149 4.118,1150 3.998,1151 6.456,1152 4.02,1153 3.88,1154 3.917,1155 3.831,1156 3.753,1157 5.257,1158 3.77,1159 3.613,1160 3.674,1161 3.47,1162 3.444,1163 4.906,1164 3.439,1165 3.574,1166 3.649,1167 3.445,1168 3.399,1169 4.805,1170 3.395,1171 3.274,1172 3.338,1173 3.149,1174 3.015,1175 4.513,1176 3.041,1177 3.166,1178 3.253,1179 3.011,1180 2.921,1181 4.362,1182 2.932,1183 3.005,1184 3.112,1185 2.881,1186 2.698,1187 4.168,1188 2.735,1189 2.964,1190 3.053,1191 2.741,1192 2.639,1193 4.028,1194 2.641,1195 0.17,1196 0.121,1197 0.251,1198 0.154,1199 0.119,1200 4.76,1201 0.169,1202 3.38,1203 0.031,1204 7.039,1205 0.432,1206 4.302,1207 0.115,1208 3.339,1209 4.732,1210 0.86,1211 12.088,1212 3.219,1213 1.938,1214 1.917,1215 2.016,1216 2.048,1217 1.18,1218 2.036,1219 1.803,1220 1.755,1221 1.947,1222 2.005,1223 1.144,1224 1.984,1225 1.639,1226 1.573,1227 1.859,1228 1.853,1229 1.063,1230 1.856,1231 1.569,1232 1.507,1233 1.762,1234 1.771,1235 0.833,1236 1.781,1237 1.215,1238 1.15,1239 1.571,1240 1.521,1241 0.574,1242 1.535,1243 1.113,1244 1.041,1245 1.417,1246 1.389,1247 0.469,1248 1.366,1249 0.934,1250 0.829,1251 1.358,1252 1.292,1253 0.439,1254 1.313,1255 0.928,1256 0.804,1257 1.261,1258 1.239,1259 0.296,1260 1.308,1261 4.043,1263 5.38,1264 2.398,1265 6.919,1266 4.844,1267 8.554,1268 7.081,1269 10.242,1271 7.58,1275 6.116,1276 9.252,1277 0.03,1278 3.212,1279 5.508,1281 0.05,1289 30.299,1290 79.585,1291 191.928,1292 233.399,1293 242.909,1294 251.173,1295 251.173,1296 46.08,1297 7.29,1298 111.11,1299 111.11,1300 17,1301 12.679,1302 4.087,1303 3.17,1304 44.138,1305 89,1306 102,1307 0.251,1308 189.519,1309 315.28,1310 454.186,1311 12475,1313 18.845,1314 0.725,1315 0.592,1316 18.845,1317 15.393,1318 12.456,1319 0.445,1320 0.304,1321 8.343,1322 11.829,1323 8.019,1324 6.755,1325 12.456,1326 8.503,1327 11.207,1328 0.28,1329 0.162,1330 11.207,1331 6.487,1332 9.506,1333 0.173,1334 0.076,1335 9.506,1336 4.158,1337 7.887,1338 0.105,1339 0.038,1340 7.887,1341 2.826,1342 6.618,1343 0.068,1344 0.02,1345 6.618,1346 1.959,1347 0.382,1348 79.109,1349 0.236,1350 24.592,1351 0.721,1352 136,1353 398.111,1354 151.808,1355 383.189,1356 532.27,1357 360,1358 163,1359 403.325,1360 180.058,1361 408.314,1362 599.94,1363 382,1364 4.959}
{0 CHEMBL1241487,1 1.588,2 7.87,3 2.088,4 4.359,5 90.204,6 7.571,7 0.615,8 3.85,9 3.987,10 3.427,11 3.351,12 5.002,13 3.351,14 4.365,15 4.539,16 3.822,17 3.78,18 5.437,19 3.753,20 4.641,21 4.866,22 3.872,23 3.865,24 5.72,25 3.816,26 4.654,27 4.899,28 3.846,29 3.823,30 5.748,31 3.782,32 4.546,33 4.769,34 3.75,35 3.808,36 5.595,37 3.755,38 4.492,39 4.689,40 3.717,41 3.788,42 5.599,43 3.728,44 4.585,45 4.827,46 3.558,47 3.726,48 5.697,49 3.617,50 4.523,51 4.818,52 3.098,53 3.481,54 5.501,55 3.306,56 0.099,57 0.682,58 8.56,59 3.244,60 13.989,61 4.436,62 0.153,63 1.085,64 15.215,65 5.862,66 17.502,67 8.265,68 0.279,69 1.267,70 22.329,71 6.979,72 38.894,73 10.616,74 0.446,75 1.252,76 23.707,77 6.528,78 48.047,79 9.964,80 0.314,81 1.17,82 20.162,83 5.996,84 34.212,85 9.11,86 0.249,87 1.133,88 18.117,89 6.042,90 27.753,91 8.84,92 0.387,93 1.1,94 21.73,95 6.817,96 53.31,97 10.35,98 0.385,99 0.877,100 22.684,101 6.796,102 55.843,103 10.259,104 10,105 38,106 0.279,107 0.678,108 0.765,109 0.837,110 0.837,111 0.837,112 3.19,113 0.891,114 -4.65,115 -4.57,116 -4.29,118 39,120 4,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 2,159 2,160 2,161 1,167 6,170 2,171 7,172 1,173 1,175 3,178 6,180 2,181 1,182 7,185 1,186 4,187 1,188 3,190 2,191 2,192 9,194 3,195 3,197 3,199 3,201 2,204 7,206 1,208 3,211 4,213 2,215 4,217 1,218 2,220 4,223 6,225 4,228 2,230 1,231 3,232 1,233 2,234 1,235 6,237 2,242 2,243 2,244 1,245 2,246 2,247 2,250 1,257 4,262 2,264 674,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.702,271 13.037,272 9.039,273 15.932,274 12.821,275 12.821,276 12.821,277 12.821,278 12.821,279 9.901,280 9.869,281 4.272,282 13.336,283 3.77,284 1.495,285 0.994,286 0.585,287 0.585,288 0.585,289 3.884,292 1,293 1,294 1,295 398,296 2.121,299 92.649,300 116.507,303 82.153,307 1.115,308 23.841,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 50,320 181,321 4.763,322 3.39,323 7.05,324 4.311,325 3.347,326 4.733,328 12.146,329 3.226,330 4.218,331 2.984,332 6.261,333 3.812,334 2.843,335 3.88,337 9.314,338 2.75,339 3.878,340 2.769,341 5.971,342 3.616,343 2.651,344 3.243,346 8.322,347 2.558,348 3.68,349 2.396,350 5.68,351 3.284,352 2.324,353 3.086,355 7.318,356 2.227,357 3.239,358 2.037,359 5.078,360 2.948,361 1.994,362 2.365,364 5.689,365 1.898,366 2.996,367 1.633,368 4.469,369 2.452,370 1.513,371 2.231,373 4.136,374 1.417,375 2.82,376 1.526,377 4.235,378 2.378,379 1.414,380 1.948,382 3.533,383 1.356,384 2.638,385 1.406,386 4.038,387 2.306,388 1.342,389 1.684,391 3.509,392 1.29,393 2.442,394 1.055,395 3.662,396 1.975,397 1.035,398 1.423,400 2.565,401 0.971,402 1.857,403 0.706,404 3.249,405 1.661,406 0.683,407 0.784,409 1.743,410 0.667,411 1.618,412 0.618,413 3,414 1.618,415 0.618,416 0.618,417 1.372,418 0.618,419 1.371,420 0.365,421 2.736,422 1.037,423 0.103,424 0.124,425 0.227,426 0.095,427 1.057,428 -0.148,429 2.462,430 0.62,431 -0.292,432 -0.371,433 -0.683,434 -0.266,435 0.781,436 -0.405,437 2.375,438 0.355,439 -0.595,440 -0.769,441 -1.604,442 -0.559,443 0.626,444 -0.733,445 2.333,446 0.142,447 -0.795,448 -1.041,449 -2.197,450 -0.741,451 10.733,452 0.467,453 0.61,454 0.027,455 31,456 1.348,457 15.5,458 0.674,459 15.5,460 0.674,461 17.647,462 0.767,463 24.667,464 0.602,465 21.444,466 0.932,467 5.67,468 0.247,469 5.478,470 0.238,471 0.106,473 0.41,478 1.023,479 1.179,480 0.814,481 0.935,482 1.104,483 0.853,484 0.648,485 1.204,486 0.765,487 1.093,488 0.506,489 0.971,490 0.871,491 1.267,492 0.866,493 1.086,494 0.664,495 0.99,496 1.137,497 0.876,498 0.911,499 0.778,500 1.045,501 0.799,502 1.094,503 1.05,504 1.049,505 0.939,506 0.813,507 0.965,508 0.976,509 1.231,510 1.162,511 1.248,512 0.974,513 1.229,514 0.807,515 1.11,516 1.164,517 1.245,518 0.919,519 1.257,520 1.043,521 0.77,522 1.141,523 1.054,524 1.165,525 1.115,526 4,527 0.02,528 3.111,529 1.819,530 1.647,531 0.796,532 0.551,533 0.398,534 0.172,535 0.087,536 5148,537 13091,538 2.141,539 43.9,540 4,541 4,543 1,544 5,546 4,549 1.666,550 2,551 2.981,552 2.718,553 1,554 1,556 1,558 65.091,559 1.588,560 3.863,561 4.364,562 4.772,563 4.772,564 4.772,565 2.426,566 3.882,567 4.495,568 3.09,569 781.869,570 7.783,571 8530.29,572 1,573 1,575 1,576 219.66,577 1.422,578 4.454,579 0.154,580 0.01,581 0.082,582 0.048,583 0.045,584 0.023,585 0.017,586 0.016,587 0.012,588 0.012,589 0.419,590 0.17,591 1,592 0.58,593 104.348,594 -0.119,595 0.061,596 0.019,597 0.119,598 -0.172,599 0.095,600 0.105,601 -0.057,602 0.096,603 -0.038,604 0.122,605 0.014,606 0.046,607 -0.244,608 0.08,609 -0.099,610 0.155,611 -0.019,612 -0.031,613 0.141,614 0.081,615 0.146,616 -0.049,617 0.132,618 -0.156,619 0.021,620 -0.113,621 0.028,622 -0.053,623 -0.019,624 -0.084,625 -0.122,626 -0.265,627 -0.251,628 -0.11,629 -0.278,630 0.121,631 -0.126,632 -0.203,633 -0.269,634 0.063,635 -0.285,636 -0.012,637 0.057,638 -0.099,639 -0.091,640 -0.018,641 -0.109,642 1.638,643 3.899,644 0.87,645 16.378,646 1.006,647 1.139,648 3.416,649 11.669,650 0.66,651 3.296,652 3.664,653 4.007,654 4.331,655 4.575,656 4.754,657 4.913,658 5.056,659 5.075,660 5.004,661 4.871,662 0.634,663 310.4,664 3.296,665 4.86,666 5.746,667 6.655,668 7.565,669 8.484,670 9.403,671 10.327,672 11.25,673 12.177,674 14.6,678 2,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 2,713 1,716 41,718 16,719 1,720 26,722 44,723 16,724 11,725 3,726 3,728 4,729 5,735 5,738 5,740 11,741 5,756 1,757 1,760 18,761 6,762 5,763 7,769 6,775 0.75,776 1,785 1,788 1,793 2,794 2,797 1,819 3,827 23,828 2,832 1,833 4,837 1,850 2.4,852 1,858 11.5,859 7.083,860 4.944,861 2.497,863 3.077,864 1.423,865 1.009,866 3.435,867 10.352,868 3.555,869 4.23,870 4.912,871 5.581,872 6.169,873 6.598,874 7.058,875 7.518,876 7.792,877 8.05,878 1,879 38,880 8.484,881 3.741,882 7.761,883 16.23,884 13.922,885 2.261,886 52,890 153.024,891 62.501,892 117.805,894 42.683,897 62.501,898 195.708,899 117.805,901 10.138,902 94.223,903 106.404,904 21.667,905 2.328,906 141.253,908 153.024,909 180.306,910 42.683,913 105.94,914 89.768,917 25.005,918 105.066,919 50.234,921 153.024,922 160.488,923 62.501,926 153.024,927 25.453,928 38.824,930 158.712,931 153.024,932 160.488,933 62.501,935 0.592,936 0.36,937 0.199,938 0.109,939 21,940 9,941 0.045,942 2,943 1,944 1.1,945 3.435,946 200.199,947 0.1,948 20,949 100.042,954 14.425,955 5.477,956 2.347,957 1.472,958 158.712,959 6.547,960 13.25,964 2.185,965 1.961,966 108.478,967 376.013,968 34,980 41.24,981 46.69,983 0.296,984 0.721,985 0.814,986 0.891,987 0.891,988 0.891,989 4.812,990 1.342,991 5.753,992 3.533,993 4.344,994 4.916,996 6.629,997 4.267,998 6.045,999 1.035,1000 7.352,1001 3.509,1002 4.007,1003 4.856,1005 7.656,1006 3.883,1007 7.381,1008 0.683,1009 9.054,1010 2.565,1011 5.994,1012 7.227,1014 10.82,1015 5.847,1016 8.759,1017 0.618,1018 10.818,1019 1.743,1020 6.509,1021 8.038,1023 12.708,1024 6.317,1025 10.173,1026 0.103,1027 12.62,1028 1.372,1029 7.965,1030 9.89,1032 15.401,1033 7.747,1034 11.613,1035 -0.292,1036 14.45,1037 0.227,1038 8.854,1039 11.1,1041 17.641,1042 8.594,1043 13.074,1044 -0.595,1045 16.3,1046 -0.683,1047 10.123,1048 12.756,1050 20.188,1051 9.832,1052 3.347,1053 -0.795,1054 18.166,1055 -1.604,1056 11.177,1057 14.151,1059 22.576,1060 10.846,1061 2.843,1062 12.146,1063 20.044,1064 -2.197,1065 12.383,1066 15.733,1068 25.08,1069 12.019,1070 2.651,1071 9.314,1072 21.932,1073 4.733,1074 13.512,1075 17.212,1077 27.529,1078 13.109,1079 2.324,1080 8.322,1081 23.828,1082 3.88,1083 14.702,1084 18.768,1086 30.022,1087 14.263,1088 1.994,1089 7.318,1090 25.732,1091 3.243,1092 15.865,1093 20.285,1095 32.497,1096 15.388,1097 1.513,1098 5.689,1099 27.642,1100 3.086,1101 17.054,1102 21.834,1104 34.989,1105 16.54,1106 1.414,1107 4.136,1108 29.558,1109 2.365,1110 18.235,1111 23.369,1113 37.476,1114 17.684,1115 4917,1116 7969,1117 17.512,1118 27.057,1119 39.656,1120 39.867,1121 41.079,1122 39.814,1123 39.736,1124 52.237,1126 119.749,1127 38.148,1128 5.665,1129 5.39,1130 6.646,1131 5.386,1132 5.347,1133 7.733,1135 19.683,1136 5.226,1137 10.157,1138 1.525,1139 1.533,1140 1.58,1141 1.531,1142 1.528,1143 2.009,1145 4.606,1146 1.467,1147 4.145,1148 4.193,1149 4.124,1150 4.005,1151 6.47,1152 4.027,1153 3.869,1154 3.905,1155 3.809,1156 3.77,1157 5.255,1158 3.773,1159 3.777,1160 3.832,1161 3.662,1162 3.653,1163 5.059,1164 3.652,1165 3.294,1166 3.384,1167 3.231,1168 3.03,1169 4.861,1170 3.07,1171 3.079,1172 3.172,1173 2.982,1174 2.845,1175 4.544,1176 2.868,1177 2.932,1178 3.048,1179 2.804,1180 2.746,1181 4.342,1182 2.748,1183 2.927,1184 2.979,1185 2.775,1186 2.671,1187 4.145,1188 2.661,1189 2.869,1190 2.971,1191 2.583,1192 2.638,1193 3.69,1194 2.635,1195 0.183,1196 0.13,1197 0.271,1198 0.166,1199 0.129,1200 4.763,1201 0.182,1202 3.39,1204 7.05,1205 0.467,1206 4.311,1207 0.124,1208 3.347,1209 4.733,1211 12.146,1212 3.226,1213 1.929,1214 1.909,1215 2,1216 2.037,1217 1.243,1218 2.022,1219 1.79,1220 1.745,1221 1.891,1222 1.98,1223 1.211,1224 1.956,1225 1.589,1226 1.531,1227 1.86,1228 1.786,1229 1.115,1230 1.793,1231 1.577,1232 1.507,1233 1.75,1234 1.751,1235 0.839,1236 1.78,1237 1.168,1238 1.107,1239 1.316,1240 1.421,1241 0.294,1242 1.402,1243 0.911,1244 0.839,1245 1.195,1246 1.287,1247 0.148,1248 1.275,1249 0.883,1250 0.808,1251 1.139,1252 1.151,1253 0.094,1254 1.132,1255 0.77,1256 0.69,1257 1.016,1258 1.12,1259 0.09,1260 1.11,1261 3.97,1263 5.323,1264 3.045,1265 6.872,1266 5.352,1267 8.515,1268 7.455,1269 10.209,1275 11.772,1276 9.899,1277 4.579,1281 0.336,1289 26.004,1290 65.091,1291 158.375,1292 178.905,1293 195.66,1294 195.66,1295 195.66,1296 35.145,1297 7.274,1298 115.87,1299 115.87,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.543,1305 66,1306 69,1307 0.24,1308 158.945,1309 259.53,1310 379.585,1311 12138,1313 15.974,1314 0.695,1315 0.548,1316 15.974,1317 12.606,1318 11.148,1319 0.429,1320 0.297,1321 7.621,1322 10.73,1323 7.509,1324 6.197,1325 11.148,1326 7.725,1327 10.285,1328 0.271,1329 0.157,1330 10.285,1331 5.963,1332 9.187,1333 0.17,1334 0.083,1335 9.187,1336 4.493,1337 7.78,1338 0.104,1339 0.044,1340 7.78,1341 3.292,1342 6.179,1343 0.064,1344 0.02,1345 6.179,1346 1.945,1347 0.357,1348 69.896,1349 0.239,1350 21.849,1351 0.724,1352 128,1353 341.355,1354 140.567,1355 338.818,1356 475.93,1357 316,1358 156,1359 372.168,1360 170.011,1361 376.172,1362 556.18,1363 355,1364 6.117}
{0 CHEMBL1241490,1 1.582,2 7.364,3 2.73,4 7.451,5 85.404,6 7.929,7 0.8,8 3.754,9 3.876,10 3.389,11 3.286,12 4.918,13 3.292,14 4.254,15 4.42,16 3.783,17 3.677,18 5.362,19 3.676,20 4.426,21 4.618,22 3.804,23 3.763,24 5.508,25 3.742,26 4.503,27 4.722,28 3.774,29 3.781,30 5.595,31 3.735,32 4.422,33 4.641,34 3.596,35 3.715,36 5.427,37 3.646,38 4.363,39 4.562,40 3.583,41 3.664,42 5.466,43 3.598,44 4.458,45 4.718,46 3.333,47 3.572,48 5.439,49 3.453,50 4.277,51 4.582,52 3.01,53 3.267,54 5.157,55 3.103,56 0.063,57 0.604,58 6.835,59 2.98,60 8.537,61 3.748,62 0.178,63 0.952,64 12.961,65 5.02,66 17.031,67 6.548,68 0.222,69 1.1,70 16.298,71 5.579,72 19.131,73 7.531,74 0.341,75 1.17,76 18.54,77 6.204,78 31.39,79 8.558,80 0.214,81 1.071,82 16.672,83 5.606,84 21.651,85 7.861,86 0.194,87 1.011,88 15.071,89 5.435,90 23.622,91 7.523,92 0.305,93 0.993,94 19.417,95 6.133,96 35.093,97 8.873,98 0.327,99 0.721,100 18.454,101 6.091,102 32.135,103 9.18,104 11,105 37,106 0.28,107 0.678,108 0.782,109 0.82,110 0.83,111 0.83,112 3.149,113 0.853,114 -4.28,115 -4.22,116 -3.98,118 43.2,119 2,126 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 10,172 1,173 1,175 1,178 7,180 1,181 1,182 7,188 6,191 2,192 9,194 3,195 3,197 1,199 5,201 1,204 7,208 2,211 3,213 2,214 1,215 8,220 4,223 4,225 4,227 1,228 2,233 1,235 4,237 1,239 2,242 1,243 1,247 2,252 2,264 596,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.687,271 9.487,272 8.559,273 15.192,274 12.338,275 12.338,276 12.338,277 12.338,278 12.338,279 8.888,280 7.5,281 4.022,282 12.757,283 3.627,284 1.383,285 0.798,286 0.581,287 0.527,288 0.527,289 3.844,292 1,293 1,294 1,295 358,296 2.646,299 81.99,300 94.212,303 147.247,307 1.091,308 16.625,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47.5,320 162,321 4.762,322 3.376,323 7.039,324 4.304,325 3.339,326 4.737,328 12.088,329 3.224,330 4.414,331 2.939,332 6.253,333 3.924,334 2.93,335 4.353,337 9.393,338 2.91,339 3.852,340 2.666,341 6.073,342 3.517,343 2.557,344 3.301,346 8.572,347 2.453,348 3.746,349 2.404,350 5.713,351 3.335,352 2.37,353 3.179,355 7.457,356 2.284,357 3.056,358 1.822,359 4.82,360 2.685,361 1.743,362 2.328,364 4.819,365 1.638,366 3.034,367 1.55,368 4.518,369 2.535,370 1.55,371 2.3,373 4.378,374 1.534,375 3.009,376 1.533,377 4.333,378 2.496,379 1.533,380 2.133,382 4.044,383 1.464,384 2.636,385 1.155,386 3.864,387 2.122,388 1.153,389 1.7,391 2.795,392 1.116,393 2.47,394 1,395 3.509,396 1.972,397 1,398 1.457,400 2.398,401 0.969,402 2.133,403 0.837,404 3.419,405 1.771,406 0.806,407 1.036,409 2.014,410 0.776,411 1.885,412 0.401,413 3.036,414 1.39,415 0.396,416 0.588,417 0.984,418 0.394,419 1.061,420 -0.155,421 2.652,422 0.628,423 -0.288,424 -0.367,425 -0.673,426 -0.263,427 0.846,428 -0.59,429 2.424,430 0.389,431 -0.59,432 -0.818,433 -1.644,434 -0.576,435 0.628,436 -0.797,437 2.259,438 0.121,439 -0.841,440 -1,441 -2,442 -0.793,443 0.545,444 -0.907,445 2.206,446 0.052,447 -0.922,448 -1.149,449 -2.365,450 -0.912,451 10.333,452 0.47,453 0.61,454 0.028,455 31.5,456 1.432,457 16.5,458 0.75,459 15,460 0.682,461 15.627,462 0.71,463 22.667,464 0.613,465 21.115,466 0.96,467 6.071,468 0.276,469 4.577,470 0.208,471 0.135,473 0.426,478 0.884,479 1.213,480 0.72,481 1.008,482 1.058,483 0.863,484 0.906,485 1.029,486 0.679,487 0.874,488 0.657,489 0.765,490 1.133,491 1.15,492 0.906,493 0.93,494 0.854,495 0.884,496 0.931,497 0.906,498 0.964,499 0.89,500 0.979,501 0.921,502 0.999,503 1.102,504 1.152,505 1.053,506 0.993,507 1.094,508 0.886,509 1.302,510 1.15,511 1.257,512 1.131,513 1.239,514 1.003,515 0.968,516 1.209,517 1.088,518 1.498,519 1.152,520 0.474,521 0.728,522 0.771,523 0.891,524 0.548,525 0.888,526 4,528 2.889,529 1.986,530 1.682,531 0.747,532 0.484,533 0.336,534 0.173,535 0.056,536 4631,537 12191,538 2.148,539 40.5,541 5,542 1,543 1,544 2,546 6,549 1.652,550 2,551 2.918,552 0.348,553 1,554 1,556 1,558 58.537,559 1.582,560 3.827,561 4.412,562 4.628,563 4.682,564 4.682,565 2.244,566 4.096,567 4.433,568 3.039,569 701.894,570 7.649,571 7411.73,572 1,573 1,574 1,575 1,576 192.75,577 1.437,578 4.388,579 0.16,581 0.078,582 0.054,583 0.048,584 0.026,585 0.017,586 0.017,587 0.012,588 0.009,589 0.421,590 0.5,591 1,592 0.797,593 98.122,594 -0.009,595 -0.064,596 0.062,597 -0.03,598 -0.173,599 0.019,600 0.079,601 0.051,602 0.193,603 0.097,604 0.16,605 0.149,606 -0.136,607 -0.089,608 0.006,609 0.015,610 0.006,611 0.03,612 0.02,613 0.141,614 -0.019,615 0.045,616 0.029,617 0.008,618 -0.216,619 -0.054,620 -0.235,621 -0.11,622 -0.15,623 -0.157,624 -0.064,625 -0.256,626 -0.254,627 -0.303,628 -0.084,629 -0.307,630 -0.088,631 -0.026,632 -0.194,633 -0.133,634 -0.321,635 -0.164,636 0.422,637 0.05,638 0.352,639 0.142,640 0.412,641 0.222,642 1.223,643 2.078,644 0.818,645 14.281,646 1.007,647 1.129,648 3.051,649 9.306,650 0.684,651 3.258,652 3.638,653 3.989,654 4.331,655 4.564,656 4.718,657 4.844,658 4.997,659 5.011,660 5.063,661 4.727,662 0.661,663 293.36,664 3.258,665 4.828,666 5.72,667 6.637,668 7.55,669 8.473,670 9.393,671 10.318,672 11.241,673 12.168,674 13.5,678 1,682 1,684 3,689 4,690 6,691 3,693 1,695 3,696 1,697 20,708 1,716 37,718 20,719 1,720 25,722 40,723 16,724 13,725 3,726 3,728 4,729 6,732 2,738 1,740 13,741 3,756 1,757 1,759 1,760 15,761 5,762 2,763 6,769 5,775 0.5,776 1,785 1,788 1,793 2,794 2,797 2,819 2,823 2,827 22,828 1,837 1,850 2.7,855 1,858 11,859 7.383,860 4.694,861 2.239,863 4.036,864 1.548,865 1.037,866 2.91,867 11.394,868 3.584,869 4.311,870 5.047,871 5.756,872 6.317,873 6.781,874 7.281,875 7.804,876 8.115,877 8.545,878 0.8,879 37,880 8.07,881 3.486,882 7.659,883 15.419,884 12.869,885 2.159,886 47.5,890 153.024,891 95.881,892 84.908,894 9.507,897 95.881,898 162.532,899 84.908,900 17.65,902 82.542,903 63.72,904 30.991,905 18.935,906 129.482,908 153.024,909 180.789,910 9.507,913 82.398,914 80.134,917 32.518,918 98.037,919 50.234,921 153.024,922 94.415,923 95.881,926 153.024,927 19.968,928 77.69,930 92.639,931 153.024,932 94.415,933 95.881,935 0.595,936 0.361,937 0.208,938 0.113,939 21,940 9,941 0.05,942 2,943 2,944 1.222,945 3.351,946 189.252,947 0.222,948 18,949 96.107,954 13.286,955 4.818,956 2.011,957 3.421,958 92.639,959 11.033,960 13.181,962 5.388,964 2.212,965 1.877,966 32.897,967 343.321,968 35,980 37.254,981 41.777,983 0.304,984 0.735,985 0.847,986 0.888,987 0.899,988 0.899,989 4.828,990 1.153,991 5.733,992 4.044,993 4.317,994 4.997,996 6.621,997 4.256,998 6.086,999 1,1000 7.339,1001 2.795,1002 4.007,1003 4.956,1005 7.667,1006 3.92,1007 7.431,1008 0.806,1009 9.047,1010 2.398,1011 5.979,1012 7.379,1014 10.823,1015 5.862,1016 8.82,1017 0.396,1018 10.814,1019 2.014,1020 6.509,1021 8.216,1023 12.718,1024 6.366,1025 10.245,1026 -0.288,1027 12.62,1028 0.984,1029 7.965,1030 10.091,1032 15.4,1033 7.794,1034 11.695,1035 -0.59,1036 14.452,1037 -0.673,1038 8.862,1039 11.321,1041 17.638,1042 8.662,1043 13.165,1044 -0.841,1045 16.304,1046 -1.644,1047 10.131,1048 12.984,1050 20.174,1051 9.902,1052 3.339,1053 -0.922,1054 18.171,1055 -2,1056 11.189,1057 14.388,1059 22.556,1060 10.929,1061 2.93,1062 12.088,1063 20.049,1064 -2.365,1065 12.395,1066 15.97,1068 25.05,1069 12.103,1070 2.557,1071 9.393,1072 21.937,1073 4.737,1074 13.524,1075 17.449,1077 27.492,1078 13.198,1079 2.37,1080 8.572,1081 23.832,1082 4.353,1083 14.711,1084 19.001,1086 29.977,1087 14.353,1088 1.743,1089 7.457,1090 25.735,1091 3.301,1092 15.873,1093 20.513,1095 32.445,1096 15.479,1097 1.55,1098 4.819,1099 27.643,1100 3.179,1101 17.058,1102 22.055,1104 34.93,1105 16.629,1106 1.533,1107 4.378,1108 29.556,1109 2.328,1110 18.236,1111 23.583,1113 37.411,1114 17.77,1115 4398,1116 7266,1117 16.819,1118 25.29,1119 39.193,1120 38.662,1121 40.034,1122 38.805,1123 38.753,1124 54.225,1126 117.881,1127 37.525,1128 5.437,1129 5.376,1130 6.567,1131 5.377,1132 5.339,1133 7.737,1135 19.555,1136 5.224,1137 9.728,1138 1.568,1139 1.546,1140 1.601,1141 1.552,1142 1.55,1143 2.169,1145 4.715,1146 1.501,1147 4.166,1148 4.2,1149 4.143,1150 4.053,1151 5.262,1152 4.069,1153 4.007,1154 4.03,1155 3.977,1156 3.854,1157 5.142,1158 3.882,1159 3.578,1160 3.655,1161 3.445,1162 3.411,1163 4.861,1164 3.403,1165 3.394,1166 3.433,1167 3.326,1168 3.248,1169 4.533,1170 3.262,1171 3.126,1172 3.216,1173 3.008,1174 2.914,1175 4.299,1176 2.93,1177 2.991,1178 3.094,1179 2.87,1180 2.719,1181 4.035,1182 2.746,1183 2.874,1184 3.009,1185 2.757,1186 2.656,1187 3.815,1188 2.679,1189 2.869,1190 2.922,1191 2.499,1192 2.618,1193 3.672,1194 2.57,1195 0.19,1196 0.135,1197 0.282,1198 0.172,1199 0.134,1200 4.762,1201 0.189,1202 3.376,1204 7.039,1205 0.484,1206 4.304,1207 0.129,1208 3.339,1209 4.737,1211 12.088,1212 3.224,1213 1.958,1214 1.942,1215 2.025,1216 2.044,1217 1.181,1218 2.033,1219 1.805,1220 1.759,1221 1.946,1222 1.995,1223 1.14,1224 1.979,1225 1.618,1226 1.554,1227 1.778,1228 1.816,1229 0.859,1230 1.815,1231 1.387,1232 1.364,1233 1.558,1234 1.605,1235 0.551,1236 1.583,1237 1.165,1238 1.117,1239 1.417,1240 1.411,1241 0.469,1242 1.382,1243 0.934,1244 0.807,1245 1.265,1246 1.239,1247 0.289,1248 1.308,1249 0.892,1250 0.804,1251 1.151,1252 1.234,1253 0.07,1254 1.219,1255 0.774,1256 0.718,1257 1.044,1258 1.076,1259 0.038,1260 1.06,1261 3.932,1263 5.293,1264 3.045,1265 6.851,1266 5.416,1267 8.502,1268 7.554,1269 10.204,1271 4.127,1275 6.078,1281 0.184,1289 24.456,1290 58.537,1291 141.589,1292 163.24,1293 171.24,1294 173.24,1295 173.24,1296 25.948,1297 7.358,1298 82.76,1299 82.76,1300 22,1301 12.673,1302 4.392,1303 3.459,1304 29.673,1305 61,1306 56,1307 0.243,1308 149.223,1309 234.99,1310 355.864,1311 14040,1313 15.267,1314 0.694,1315 0.56,1316 15.267,1317 12.316,1318 10.648,1319 0.426,1320 0.284,1321 7.004,1322 10.191,1323 6.796,1324 5.665,1325 10.648,1326 7.112,1327 9.981,1328 0.27,1329 0.149,1330 9.981,1331 5.518,1332 8.729,1333 0.165,1334 0.07,1335 8.729,1336 3.733,1337 7.769,1338 0.104,1339 0.036,1340 7.769,1341 2.671,1342 6.227,1343 0.066,1344 0.019,1345 6.227,1346 1.783,1347 0.361,1348 66.938,1349 0.244,1350 21.001,1351 0.729,1352 124,1353 349.628,1354 136.979,1355 341.976,1356 487.89,1357 322,1358 152,1359 387.657,1360 166.284,1361 390.235,1362 577.64,1363 368,1364 6.171}
{0 CHEMBL1241491,1 1.549,2 7.958,3 3.406,4 11.597,5 92.65,6 7.79,7 0.714,8 3.863,9 3.982,10 3.491,11 3.417,12 4.957,13 3.415,14 4.407,15 4.567,16 3.888,17 3.851,18 5.439,19 3.828,20 4.643,21 4.867,22 3.873,23 3.91,24 5.592,25 3.853,26 4.616,27 4.851,28 3.87,29 3.868,30 5.644,31 3.823,32 4.52,33 4.73,34 3.761,35 3.845,36 5.51,37 3.79,38 4.508,39 4.704,40 3.751,41 3.844,42 5.542,43 3.781,44 4.587,45 4.821,46 3.614,47 3.799,48 5.545,49 3.697,50 4.527,51 4.811,52 3.26,53 3.587,54 5.415,55 3.426,56 0.054,57 0.667,58 7.863,59 3.467,60 8.425,61 4.412,62 0.157,63 1.102,64 15.098,65 6.191,66 16.716,67 8.102,68 0.219,69 1.304,70 21.942,71 7.654,72 23.423,73 10.751,74 0.369,75 1.302,76 21.823,77 6.932,78 33.591,79 9.804,80 0.211,81 1.208,82 18.382,83 6.08,84 23.857,85 8.528,86 0.213,87 1.184,88 17.693,89 6.298,90 25.41,91 8.702,92 0.239,93 1.19,94 20.917,95 7.317,96 28.778,97 10.376,98 0.373,99 1.003,100 22.219,101 7.427,102 40.257,103 10.921,104 2,105 41,106 0.268,107 0.648,108 0.758,109 0.825,110 0.834,111 0.834,112 3.231,113 0.887,114 -4.76,115 -4.67,116 -4.39,118 43.9,120 4,126 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,156 1,158 1,159 1,160 1,161 1,167 8,170 2,171 10,172 1,173 1,175 1,178 9,180 1,181 1,182 9,188 6,191 2,192 11,194 3,195 3,197 1,199 5,201 1,204 9,208 2,211 5,213 2,214 1,215 8,220 4,223 6,225 4,227 1,228 4,233 3,235 8,237 3,239 2,242 1,243 1,247 6,252 2,260 2,264 760,265 16.792,266 16.792,267 16.792,268 16.792,269 16.792,270 14.548,271 9.487,272 9.779,273 17.037,274 13.858,275 13.858,276 13.858,277 13.858,278 13.858,279 10.422,280 7.5,281 4.637,282 14.266,283 3.809,284 1.611,285 0.976,286 0.585,287 0.537,288 0.537,289 3.945,292 1,293 1,294 1,295 437,296 2.121,299 139.283,300 102.98,303 160.199,307 1.135,308 17.601,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51.5,320 191,321 4.766,322 3.389,323 7.051,324 4.313,325 3.349,326 4.738,328 12.147,329 3.231,330 4.415,331 2.95,332 6.293,333 3.929,334 2.936,335 4.353,337 9.503,338 2.915,339 3.904,340 2.766,341 6.145,342 3.647,343 2.677,344 3.312,346 8.961,347 2.596,348 3.761,349 2.405,350 5.751,351 3.351,352 2.38,353 3.198,355 7.634,356 2.31,357 3.239,358 2.038,359 5.079,360 2.949,361 1.996,362 2.366,364 5.69,365 1.899,366 3.051,367 1.552,368 4.519,369 2.535,370 1.552,371 2.322,373 4.384,374 1.534,375 3.033,376 1.533,377 4.333,378 2.497,379 1.533,380 2.3,382 4.052,383 1.464,384 2.654,385 1.41,386 4.234,387 2.309,388 1.345,389 1.72,391 3.529,392 1.293,393 2.601,394 1.154,395 3.672,396 2.122,397 1.151,398 1.636,400 2.661,401 1.116,402 2.411,403 0.973,404 3.431,405 1.932,406 0.966,407 1.376,409 2.308,410 0.931,411 1.911,412 0.702,413 3.248,414 1.663,415 0.683,416 0.792,417 1.74,418 0.668,419 1.837,420 0.618,421 3.036,422 1.618,423 0.618,424 0.618,425 1.372,426 0.618,427 1.618,428 0.4,429 3,430 1.389,431 0.395,432 0.584,433 0.983,434 0.393,435 1.061,436 -0.153,437 2.652,438 0.63,439 -0.286,440 -0.364,441 -0.672,442 -0.261,443 0.846,444 -0.589,445 2.461,446 0.389,447 -0.59,448 -0.817,449 -1.644,450 -0.576,451 11.333,452 0.472,453 0.534,454 0.022,455 33,456 1.375,457 16.5,458 0.688,459 16.5,460 0.688,461 18.295,462 0.762,463 24.667,464 0.602,465 21.709,466 0.905,467 6.046,468 0.252,469 5.764,470 0.24,471 0.035,473 0.388,478 0.859,479 1.169,480 0.723,481 0.983,482 0.917,483 0.856,484 0.86,485 1.09,486 0.805,487 1.014,488 0.62,489 0.925,490 0.958,491 1.162,492 0.877,493 0.992,494 0.71,495 0.933,496 0.991,497 0.855,498 0.877,499 0.758,500 0.952,501 0.785,502 1.095,503 1.097,504 1.112,505 0.972,506 1.099,507 1.009,508 0.98,509 1.192,510 1.153,511 1.138,512 1.281,513 1.151,514 0.911,515 1.146,516 1.15,517 1.191,518 1.324,519 1.195,520 0.712,521 0.809,522 1.052,523 1.009,524 1.019,525 1.066,526 3.5,528 2.889,529 1.764,530 1.522,531 0.716,532 0.469,533 0.348,534 0.148,535 0.047,536 6351,537 15039,538 2.262,539 41.5,540 4,541 5,542 1,543 1,544 2,546 4,549 1.676,550 2.182,551 3.02,552 0.296,554 1,556 1,558 63.504,559 1.549,560 3.747,561 4.382,562 4.772,563 4.821,564 4.821,565 2.44,566 4.22,567 4.558,568 3.145,569 868.043,570 7.902,571 9735.16,572 1,573 1,575 1,576 219.66,577 1.175,578 4.543,579 0.125,581 0.07,582 0.045,583 0.039,584 0.02,585 0.014,586 0.012,587 0.008,588 0.005,589 0.339,590 0.33,591 0.88,592 0.382,593 110.695,594 0.007,595 -0.025,596 0.072,597 0.001,598 -0.021,599 0.039,600 0.073,601 -0.012,602 0.059,603 -0.032,604 0.165,605 -0.001,606 -0.026,607 -0.166,608 0.086,609 -0.025,610 0.13,611 0.033,612 0.034,613 0.192,614 0.105,615 0.165,616 0.08,617 0.146,618 -0.241,619 -0.008,620 -0.197,621 -0.045,622 -0.189,623 -0.095,624 -0.116,625 -0.117,626 -0.255,627 -0.194,628 -0.198,629 -0.231,630 -0.04,631 -0.165,632 -0.185,633 -0.224,634 -0.203,635 -0.222,636 0.206,637 0.063,638 0.006,639 -0.015,640 0.087,641 -0.026,642 1.188,643 2.176,644 0.958,645 17.167,646 1.003,647 1.127,648 3.531,649 12.47,650 0.684,651 3.367,652 3.738,653 4.111,654 4.466,655 4.682,656 4.883,657 5.081,658 5.268,659 5.328,660 5.384,661 5.036,662 0.658,663 319.4,664 3.367,665 4.934,666 5.832,667 6.746,668 7.662,669 8.584,670 9.507,671 10.433,672 11.359,673 12.288,674 12.2,678 1,682 1,684 3,689 4,690 6,691 3,693 1,695 3,696 1,697 20,708 1,716 41,718 20,719 1,720 28,722 45,723 18,724 13,725 3,726 3,728 5,729 7,735 5,738 5,740 13,741 5,756 1,757 1,759 1,760 17,761 5,762 2,763 6,769 5,775 0.6,776 1,785 1,788 1,793 3,794 2,797 2,819 3,827 24,828 1,833 4,837 1,850 2.4,855 1,858 11,859 7.383,860 5.111,861 2.655,863 3.983,864 1.515,865 1.07,866 3.101,867 11.719,868 3.664,869 4.363,870 5.091,871 5.796,872 6.355,873 6.837,874 7.362,875 7.89,876 8.22,877 8.651,878 1,879 39,880 8.856,881 3.922,882 7.563,883 17.271,884 15.059,885 2.063,886 49.5,889 1,890 176.567,891 88.369,892 84.908,894 9.507,897 88.369,898 186.074,899 84.908,901 10.138,902 82.542,903 63.72,904 30.991,905 18.935,906 153.024,908 176.567,909 173.277,910 9.507,913 129.482,914 56.592,917 25.005,918 98.037,919 50.234,921 176.567,922 94.415,923 88.369,926 176.567,927 30.106,928 60.04,930 92.639,931 176.567,932 94.415,933 88.369,935 0.589,936 0.362,937 0.212,938 0.108,939 24,940 9,941 0.044,942 2,943 2,944 1.174,945 3.633,946 219.375,947 0.174,948 23,949 106.039,954 13.996,955 5.317,956 2.156,957 3.581,958 92.639,959 11.222,960 13.554,962 5.431,964 2.33,965 2.051,966 32.897,967 359.351,968 38,980 41.138,981 46.192,983 0.289,984 0.699,985 0.818,986 0.891,987 0.9,988 0.9,989 4.913,990 1.345,991 5.826,992 4.052,993 4.419,994 5.05,996 6.706,997 4.363,998 6.145,999 1.151,1000 7.419,1001 3.529,1002 4.007,1003 4.956,1005 7.722,1006 3.92,1007 7.481,1008 0.966,1009 9.116,1010 2.661,1011 6.066,1012 7.401,1014 10.895,1015 5.957,1016 8.863,1017 0.683,1018 10.877,1019 2.308,1020 6.553,1021 8.224,1023 12.785,1024 6.413,1025 10.282,1026 0.618,1027 12.678,1028 1.74,1029 8.038,1030 10.1,1032 15.47,1033 7.873,1034 11.728,1035 0.395,1036 14.509,1037 1.372,1038 8.916,1039 11.326,1041 17.706,1042 8.719,1043 13.194,1044 -0.286,1045 16.359,1046 0.983,1047 10.195,1048 12.989,1050 20.243,1051 9.97,1052 3.349,1053 -0.59,1054 18.225,1055 -0.672,1056 11.245,1057 14.392,1059 22.624,1060 10.986,1061 2.936,1062 12.147,1063 20.102,1064 -1.644,1065 12.454,1066 15.973,1068 25.12,1069 12.163,1070 2.677,1071 9.503,1072 21.99,1073 4.738,1074 13.579,1075 17.452,1077 27.562,1078 13.252,1079 2.38,1080 8.961,1081 23.885,1082 4.353,1083 14.768,1084 19.004,1086 30.05,1087 14.407,1088 1.996,1089 7.634,1090 25.787,1091 3.312,1092 15.928,1093 20.516,1095 32.52,1096 15.53,1097 1.552,1098 5.69,1099 27.695,1100 3.198,1101 17.114,1102 22.058,1104 35.008,1105 16.68,1106 1.533,1107 4.384,1108 29.608,1109 2.366,1110 18.292,1111 23.586,1113 37.491,1114 17.82,1115 5770,1116 9034,1117 19.592,1118 28.051,1119 43.113,1120 43.039,1121 43.439,1122 43.252,1123 43.162,1124 58.631,1126 129.925,1127 41.938,1128 5.668,1129 5.389,1130 6.646,1131 5.388,1132 5.349,1133 7.738,1135 19.687,1136 5.231,1137 5.845,1138 1.54,1139 1.537,1140 1.551,1141 1.545,1142 1.541,1143 2.094,1145 4.64,1146 1.498,1147 4.173,1148 4.21,1149 4.149,1150 4.058,1151 5.262,1152 4.074,1153 4.017,1154 4.039,1155 3.982,1156 3.875,1157 5.142,1158 3.897,1159 3.793,1160 3.85,1161 3.667,1162 3.675,1163 4.858,1164 3.667,1165 3.4,1166 3.448,1167 3.34,1168 3.249,1169 4.532,1170 3.262,1171 3.225,1172 3.305,1173 3.138,1174 2.966,1175 4.305,1176 2.999,1177 2.999,1178 3.094,1179 2.89,1180 2.813,1181 4.135,1182 2.822,1183 2.889,1184 2.979,1185 2.765,1186 2.671,1187 3.817,1188 2.68,1189 2.869,1190 2.959,1191 2.583,1192 2.66,1193 3.677,1194 2.635,1195 0.17,1196 0.121,1197 0.252,1198 0.154,1199 0.12,1200 4.766,1201 0.169,1202 3.389,1204 7.051,1205 0.434,1206 4.313,1207 0.115,1208 3.349,1209 4.738,1211 12.147,1212 3.231,1213 1.958,1214 1.942,1215 2.024,1216 2.042,1217 1.244,1218 2.032,1219 1.799,1220 1.756,1221 1.893,1222 1.984,1223 1.211,1224 1.96,1225 1.594,1226 1.537,1227 1.86,1228 1.785,1229 1.175,1230 1.793,1231 1.577,1232 1.507,1233 1.754,1234 1.751,1235 0.869,1236 1.779,1237 1.387,1238 1.364,1239 1.557,1240 1.605,1241 0.552,1242 1.583,1243 1.159,1244 1.115,1245 1.26,1246 1.389,1247 0.305,1248 1.365,1249 0.891,1250 0.807,1251 1.151,1252 1.234,1253 0.101,1254 1.219,1255 0.775,1256 0.719,1257 1.044,1258 1.071,1259 0.094,1260 1.057,1261 4.043,1263 5.398,1264 3.434,1265 6.948,1266 5.733,1267 8.592,1268 7.803,1269 10.289,1275 6.176,1277 4.758,1281 0.396,1289 26.983,1290 63.504,1291 153.621,1292 179.66,1293 195.66,1294 197.66,1295 197.66,1296 28.206,1297 7.736,1298 82.76,1299 82.76,1300 27,1301 12.792,1302 4.392,1303 3.459,1304 30.081,1305 71,1306 66,1307 0.208,1308 161.014,1309 257.23,1310 384.635,1311 22600,1313 16.096,1314 0.671,1315 0.548,1316 16.096,1317 13.144,1318 11.81,1319 0.422,1320 0.296,1321 8.165,1322 11.362,1323 8.051,1324 6.621,1325 11.81,1326 8.274,1327 10.782,1328 0.263,1329 0.155,1330 10.782,1331 6.362,1332 9.878,1333 0.165,1334 0.082,1335 9.878,1336 4.915,1337 8.93,1338 0.104,1339 0.043,1340 8.93,1341 3.715,1342 6.856,1343 0.064,1344 0.02,1345 6.856,1346 2.174,1347 0.312,1348 73.909,1349 0.226,1350 22.753,1351 0.622,1352 138,1353 363.628,1354 150.979,1355 355.497,1356 510.05,1357 336,1358 170,1359 405.657,1360 184.617,1361 407.507,1362 606.52,1363 386,1364 6.42}
{0 CHEMBL1241492,1 1.67,2 7.364,3 1.996,4 3.984,5 82.64,6 8.438,7 0.8,8 3.727,9 3.852,10 3.41,11 3.214,12 4.967,13 3.24,14 4.205,15 4.378,16 3.791,17 3.602,18 5.36,19 3.622,20 4.361,21 4.556,22 3.808,23 3.68,24 5.494,25 3.685,26 4.465,27 4.684,28 3.786,29 3.692,30 5.605,31 3.678,32 4.355,33 4.564,34 3.602,35 3.631,36 5.421,37 3.591,38 4.312,39 4.505,40 3.6,41 3.587,42 5.473,43 3.543,44 4.413,45 4.679,46 3.362,47 3.463,48 5.468,49 3.366,50 4.197,51 4.513,52 3.041,53 3.068,54 5.178,55 2.943,56 0.177,57 0.616,58 5.838,59 2.521,60 11.984,61 3.162,62 0.239,63 0.955,64 11.202,65 4.268,66 18.98,67 5.652,68 0.285,69 1.061,70 13.916,71 4.558,72 19.412,73 6.245,74 0.446,75 1.093,76 17.055,77 5.193,78 35.513,79 7.09,80 0.332,81 0.997,82 14.264,83 4.65,84 25.088,85 6.27,86 0.286,87 0.963,88 12.761,89 4.758,90 23.908,91 6.448,92 0.45,93 0.886,94 18.336,95 5.454,96 41.969,97 8.012,98 0.446,99 0.596,100 18.16,101 5.047,102 39.163,103 8.076,104 11,105 37,106 0.299,107 0.701,108 0.774,109 0.808,110 0.819,111 0.819,112 3.149,113 0.824,114 -3.89,115 -3.85,116 -3.65,118 40,119 2,126 1,138 3,139 2,142 3,143 1,144 1,156 1,158 1,159 1,160 1,161 3,167 3,170 3,171 9,172 1,173 1,175 1,178 4,180 1,181 1,182 11,188 3,191 2,192 11,194 3,195 3,197 1,199 3,201 1,203 1,204 6,208 2,211 2,213 2,214 3,215 6,220 3,223 4,225 3,227 4,230 1,231 1,235 2,239 4,240 2,242 2,243 2,252 4,264 596,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.687,271 9.487,272 8.559,273 15.261,274 12.338,275 12.338,276 12.338,277 12.338,278 12.338,279 8.888,280 7.5,281 4.022,282 12.869,283 3.459,284 1.212,285 0.808,286 0.615,287 0.557,288 0.557,289 3.844,292 1,293 1,294 1,295 358,296 2.646,299 81.99,300 94.212,303 147.247,307 1.091,308 18.23,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 48.5,320 162,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.221,330 4.414,331 2.939,332 6.253,333 3.901,334 2.93,335 4.353,337 9.393,338 2.842,339 3.852,340 2.666,341 6.073,342 3.513,343 2.557,344 3.301,346 8.572,347 2.442,348 3.746,349 2.404,350 5.713,351 3.33,352 2.37,353 3.179,355 7.457,356 2.273,357 3.056,358 1.822,359 4.82,360 2.685,361 1.743,362 2.328,364 4.819,365 1.638,366 3.034,367 1.55,368 4.518,369 2.509,370 1.55,371 2.3,373 4.378,374 1.49,375 3.009,376 1.533,377 4.333,378 2.489,379 1.533,380 2.133,382 4.044,383 1.456,384 2.636,385 1.155,386 3.864,387 2.12,388 1.153,389 1.7,391 2.795,392 1.114,393 2.47,394 1,395 3.509,396 1.972,397 1,398 1.457,400 2.398,401 0.969,402 2.133,403 0.837,404 3.419,405 1.77,406 0.806,407 1.036,409 2.014,410 0.775,411 1.885,412 0.401,413 3.036,414 1.359,415 0.396,416 0.588,417 0.984,418 0.381,419 1.061,420 -0.155,421 2.652,422 0.628,423 -0.288,424 -0.367,425 -0.673,426 -0.263,427 0.846,428 -0.59,429 2.424,430 0.383,431 -0.59,432 -0.818,433 -1.644,434 -0.572,435 0.628,436 -0.797,437 2.259,438 0.115,439 -0.841,440 -1,441 -2,442 -0.79,443 0.545,444 -0.907,445 2.206,446 0.051,447 -0.922,448 -1.149,449 -2.365,450 -0.906,451 10.133,452 0.461,453 0.61,454 0.028,455 32,456 1.455,457 16.5,458 0.75,459 15.5,460 0.705,461 15.243,462 0.693,463 22.867,464 0.653,465 21.499,466 0.977,467 6.186,468 0.281,469 4.461,470 0.203,471 0.138,473 0.434,478 0.628,479 1.21,480 0.656,481 0.972,482 0.897,483 0.845,484 0.678,485 1.12,486 0.584,487 0.912,488 0.553,489 0.756,490 0.953,491 1.234,492 0.838,493 0.977,494 0.77,495 0.883,496 1.035,497 0.912,498 0.964,499 0.879,500 1.006,501 0.898,502 1.073,503 1.059,504 1.191,505 1.063,506 1.016,507 1.123,508 0.782,509 1.308,510 1.144,511 1.389,512 1.051,513 1.349,514 0.815,515 0.872,516 1.152,517 1.134,518 1.337,519 1.197,520 0.41,521 0.665,522 0.654,523 0.849,524 0.421,525 0.822,526 4,528 2.889,529 1.986,530 1.682,531 0.747,532 0.484,533 0.336,534 0.173,535 0.056,536 4631,537 13732,538 2.148,539 37.1,541 4,543 1,544 2,546 6,549 1.652,550 2,551 2.918,552 0.438,554 1,556 1,558 58.465,559 1.67,560 3.918,561 4.322,562 4.515,563 4.572,564 4.572,565 2.244,566 4.096,567 4.433,568 3.039,569 701.894,570 7.649,571 7411.73,572 1,573 1,575 1,576 179.525,577 1.437,578 4.388,579 0.16,581 0.078,582 0.054,583 0.048,584 0.026,585 0.017,586 0.017,587 0.012,588 0.009,589 0.421,590 0.67,591 1,592 0.797,593 98.122,594 0.227,595 -0.023,596 0.073,597 0.023,598 -0.044,599 0.017,600 0.115,601 -0.019,602 0.246,603 0.082,604 0.198,605 0.17,606 -0.136,607 -0.169,608 0.036,609 -0.012,610 0.016,611 0.045,612 -0.07,613 0.096,614 -0.014,615 0.069,616 -0.018,617 0.043,618 -0.256,619 -0.02,620 -0.297,621 -0.096,622 -0.184,623 -0.181,625 -0.264,626 -0.276,627 -0.405,628 -0.077,629 -0.404,630 0.089,631 0.012,632 -0.09,633 -0.161,634 -0.192,635 -0.162,636 0.58,637 0.036,638 0.593,639 0.185,640 0.606,641 0.354,642 1.259,643 2.05,644 0.818,645 14.281,646 1.02,647 1.141,648 2.662,649 7.084,650 0.679,651 3.258,652 3.638,653 3.989,654 4.331,655 4.564,656 4.718,657 4.844,658 4.997,659 5.011,660 5.063,661 4.727,662 0.67,663 295.34,664 3.258,665 4.828,666 5.72,667 6.637,668 7.55,669 8.473,670 9.393,671 10.318,672 11.241,673 12.168,674 20,678 1,682 1,684 5,689 4,690 4,691 5,693 1,695 3,696 1,697 20,708 1,716 35,718 20,719 1,720 25,722 38,723 14,724 11,725 3,726 3,728 4,729 6,732 2,738 1,740 11,741 3,756 1,757 1,760 13,761 7,762 2,763 8,769 7,775 0.5,776 1,785 1,788 1,793 2,794 2,797 2,819 2,823 2,827 22,828 1,837 1,850 2.9,855 1,858 11,859 7.117,860 4.694,861 2.114,863 4.036,864 1.548,865 1.021,866 2.842,867 11.394,868 3.584,869 4.311,870 5.047,871 5.756,872 6.317,873 6.781,874 7.281,875 7.804,876 8.115,877 8.545,878 0.8,879 37,880 8.033,881 3.474,882 7.75,883 15.159,884 12.541,885 2.25,886 49.5,890 129.482,891 71.545,892 124.101,894 9.961,897 71.545,898 139.443,899 124.101,900 17.65,902 61.326,903 102.914,904 33.16,905 2.328,906 117.711,908 129.482,909 195.646,910 9.961,913 58.856,914 80.588,917 36.806,918 69.412,919 89.427,921 129.482,922 134.062,923 71.545,926 129.482,927 16.847,928 56.474,930 132.285,931 129.482,932 134.062,933 71.545,935 0.595,936 0.361,937 0.208,938 0.113,939 21,940 9,941 0.053,942 2,943 2,944 1.222,945 3.351,946 189.252,947 0.222,948 18,949 96.107,954 13.165,955 4.75,956 1.976,957 2.823,958 132.285,959 7.06,960 20.748,962 4.735,964 2.006,965 1.841,966 32.897,967 335.089,968 35,980 35.691,981 39.943,983 0.326,984 0.764,985 0.843,986 0.88,987 0.891,988 0.891,989 4.828,990 1.153,991 5.733,992 4.044,993 4.317,994 4.997,996 6.621,997 4.239,998 6.086,999 1,1000 7.339,1001 2.795,1002 4.007,1003 4.956,1005 7.667,1006 3.895,1007 7.431,1008 0.806,1009 9.047,1010 2.398,1011 5.979,1012 7.379,1014 10.823,1015 5.828,1016 8.82,1017 0.396,1018 10.814,1019 2.014,1020 6.509,1021 8.216,1023 12.718,1024 6.325,1025 10.245,1026 -0.288,1027 12.62,1028 0.984,1029 7.965,1030 10.091,1032 15.4,1033 7.747,1034 11.695,1035 -0.59,1036 14.452,1037 -0.673,1038 8.862,1039 11.321,1041 17.638,1042 8.609,1043 13.165,1044 -0.841,1045 16.304,1046 -1.644,1047 10.131,1048 12.984,1050 20.174,1051 9.846,1052 3.339,1053 -0.922,1054 18.171,1055 -2,1056 11.189,1057 14.388,1059 22.556,1060 10.868,1061 2.93,1062 12.088,1063 20.049,1064 -2.365,1065 12.395,1066 15.97,1068 25.05,1069 12.04,1070 2.557,1071 9.393,1072 21.937,1073 4.737,1074 13.524,1075 17.449,1077 27.492,1078 13.134,1079 2.37,1080 8.572,1081 23.832,1082 4.353,1083 14.711,1084 19.001,1086 29.977,1087 14.287,1088 1.743,1089 7.457,1090 25.735,1091 3.301,1092 15.873,1093 20.513,1095 32.445,1096 15.412,1097 1.55,1098 4.819,1099 27.643,1100 3.179,1101 17.058,1102 22.055,1104 34.93,1105 16.562,1106 1.533,1107 4.378,1108 29.556,1109 2.328,1110 18.236,1111 23.583,1113 37.411,1114 17.704,1115 4398,1116 7743,1117 16.819,1118 23.779,1119 39.193,1120 38.662,1121 40.034,1122 38.784,1123 38.753,1124 54.225,1126 117.881,1127 37.204,1128 5.437,1129 5.376,1130 6.567,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.221,1137 9.728,1138 1.568,1139 1.546,1140 1.601,1141 1.551,1142 1.55,1143 2.169,1145 4.715,1146 1.488,1147 4.153,1148 4.196,1149 4.136,1150 4.019,1151 5.399,1152 4.041,1153 3.974,1154 4.011,1155 3.954,1156 3.805,1157 5.249,1158 3.834,1159 3.577,1160 3.655,1161 3.445,1162 3.408,1163 4.866,1164 3.401,1165 3.337,1166 3.386,1167 3.293,1168 3.089,1169 4.554,1170 3.136,1171 3.1,1172 3.187,1173 2.993,1174 2.837,1175 4.375,1176 2.862,1177 2.983,1178 3.082,1179 2.865,1180 2.713,1181 4.054,1182 2.74,1183 2.874,1184 3.009,1185 2.734,1186 2.646,1187 3.846,1188 2.668,1189 2.846,1190 2.915,1191 2.499,1192 2.618,1193 3.674,1194 2.57,1195 0.19,1196 0.135,1197 0.282,1198 0.172,1199 0.134,1200 4.762,1201 0.189,1202 3.376,1204 7.039,1205 0.484,1206 4.303,1207 0.129,1208 3.339,1209 4.737,1211 12.088,1212 3.221,1213 1.946,1214 1.924,1215 2.008,1216 2.041,1217 1.161,1218 2.027,1219 1.802,1220 1.753,1221 1.946,1222 1.99,1223 1.13,1224 1.976,1225 1.615,1226 1.55,1227 1.773,1228 1.813,1229 0.843,1230 1.813,1231 1.165,1232 1.109,1233 1.417,1234 1.494,1235 0.469,1236 1.393,1237 1.033,1238 0.989,1239 1.269,1240 1.401,1241 0.288,1242 1.342,1243 0.934,1244 0.804,1245 1.195,1246 1.239,1247 0.196,1248 1.308,1249 0.886,1250 0.793,1251 1.126,1252 1.222,1253 0.037,1254 1.204,1255 0.763,1256 0.683,1257 0.99,1258 1.066,1260 1.053,1261 3.932,1263 5.293,1264 3.045,1265 6.851,1266 5.416,1267 8.502,1268 7.554,1269 10.204,1271 4.082,1275 6.05,1281 0.156,1289 23.445,1290 58.465,1291 137.119,1292 151.26,1293 158.015,1294 160.015,1295 160.015,1296 26.662,1297 7.358,1298 108.54,1299 108.54,1300 22,1301 12.673,1302 4.392,1303 3.459,1304 29.673,1305 61,1306 56,1307 0.243,1308 143.627,1309 222.39,1310 342.209,1311 14040,1313 15.267,1314 0.694,1315 0.548,1316 15.267,1317 12.056,1318 10.648,1319 0.426,1320 0.275,1321 6.733,1322 10.061,1323 6.552,1324 5.468,1325 10.648,1326 6.863,1327 9.981,1328 0.27,1329 0.144,1330 9.981,1331 5.312,1332 8.729,1333 0.165,1334 0.067,1335 8.729,1336 3.534,1337 7.769,1338 0.104,1339 0.033,1340 7.769,1341 2.487,1342 6.227,1343 0.066,1344 0.018,1345 6.227,1346 1.677,1347 0.361,1348 67.938,1349 0.244,1350 21.001,1351 0.729,1352 124,1353 388.918,1354 139.812,1355 378.75,1356 536.09,1357 354,1358 152,1359 435.066,1360 169.975,1361 431.475,1362 630.4,1363 405,1364 4}
{0 CHEMBL1241578,1 1.752,2 7.286,3 2.907,4 8.451,5 85.88,6 9.949,7 0.696,8 3.687,9 3.809,10 3.494,11 3.235,12 4.891,13 3.224,14 4.163,15 4.332,16 3.945,17 3.628,18 5.317,19 3.601,20 4.377,21 4.558,22 4.147,23 3.75,24 5.569,25 3.713,26 4.456,27 4.672,28 3.885,29 3.737,30 5.608,31 3.674,32 4.364,33 4.571,34 3.72,35 3.659,36 5.472,37 3.594,38 4.32,39 4.512,40 3.836,41 3.624,42 5.49,43 3.546,44 4.408,45 4.667,46 3.761,47 3.53,48 5.546,49 3.368,50 4.186,51 4.494,52 3.702,53 3.169,54 5.154,55 2.948,56 0.101,57 0.563,58 4.3,59 2.807,60 11.518,61 3.319,62 0.187,63 0.873,64 10.428,65 4.87,66 18.28,67 6.055,68 0.304,69 1.023,70 20.095,71 6.005,72 26.144,73 7.013,74 0.393,75 1.077,76 27.945,77 6.742,78 37.019,79 8.256,80 0.315,81 0.988,82 12.244,83 5.278,84 30.928,85 6.79,86 0.253,87 0.932,88 12.21,89 5.405,90 24.404,91 6.935,92 0.45,93 0.868,94 20.942,95 6.538,96 56.835,97 8.649,98 0.355,99 0.562,100 27.882,101 6.394,102 42.464,103 8.525,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.946,114 -4.77,115 -4.68,116 -4.4,117 1,118 40,119 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 1,175 2,178 5,180 1,181 1,182 5,186 3,188 5,191 2,192 7,194 3,195 3,197 2,199 4,201 1,204 5,206 1,208 3,211 2,213 2,215 5,218 1,220 3,223 5,225 3,228 1,231 2,232 1,234 1,235 2,240 2,245 3,249 1,260 2,264 530,265 13.776,266 13.776,267 13.776,268 13.776,269 13.776,270 11.84,271 12.041,272 7.818,273 14.207,274 11.301,275 11.301,276 11.301,277 11.301,278 11.301,279 8.368,280 8.742,281 3.657,282 12.095,283 3.378,284 1.097,285 0.693,286 0.557,287 0.557,288 0.557,289 3.777,292 1,293 1,294 1,295 323,296 2.646,299 39.793,300 107.231,303 76.128,307 1.061,308 20.74,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 45.25,320 153,321 4.76,322 3.381,323 7.039,324 4.301,325 3.338,326 4.732,328 12.086,329 3.216,330 4.216,331 3.154,332 6.179,333 3.763,334 2.827,335 3.879,337 8.977,338 2.641,339 3.814,340 2.684,341 5.927,342 3.476,343 2.533,344 3.214,346 8.067,347 2.378,348 3.679,349 2.447,350 5.657,351 3.249,352 2.321,353 3.085,355 7.235,356 2.095,357 3.03,358 1.87,359 4.819,360 2.683,361 1.743,362 2.244,364 4.818,365 1.635,366 2.98,367 1.815,368 4.469,369 2.442,370 1.508,371 2.126,373 4.123,374 1.404,375 2.82,376 1.53,377 4.039,378 2.341,379 1.414,380 1.948,382 3.512,383 1.255,384 2.521,385 1.091,386 3.86,387 2.002,388 1.062,389 1.531,391 2.758,392 0.987,393 2.127,394 0.87,395 3.49,396 1.771,397 0.815,398 1.033,400 2.05,401 0.768,402 1.371,403 0.572,404 2.736,405 0.906,406 0.103,407 0.124,409 0.227,410 0.063,411 1.058,412 -0.149,413 2.427,414 0.616,415 -0.294,416 -0.374,417 -0.685,418 -0.267,419 0.781,420 -0.291,421 2.375,422 0.35,423 -0.595,424 -0.77,425 -1.604,426 -0.525,427 0.621,428 -0.713,429 2.256,430 0.103,431 -0.815,432 -1,433 -2,434 -0.684,435 0.227,436 -0.859,437 2.131,439 -1,440 -1.114,441 -2.268,442 -0.861,444 -1,445 1.805,446 -0.157,447 -1.062,448 -1.285,449 -3.043,450 -1,451 10.667,452 0.508,453 0.686,454 0.033,455 28.75,456 1.369,457 15,458 0.714,459 13.75,460 0.655,461 17.327,462 0.825,463 21.733,464 0.621,465 18.509,466 0.881,467 5.275,468 0.251,469 4.712,470 0.224,471 0.288,473 0.413,478 0.937,479 1.202,480 0.486,481 0.754,482 1.093,483 0.786,484 0.689,485 1.069,486 0.534,487 0.719,488 0.55,489 0.715,490 1.046,491 1.206,492 0.875,493 0.943,494 0.843,495 0.875,496 0.956,497 0.931,498 0.945,499 0.945,500 0.849,501 0.942,502 1.073,503 1.084,504 0.394,505 0.787,506 0.874,507 1.012,508 0.886,509 1.336,510 0.566,511 1.08,512 0.975,513 1.222,514 0.836,515 0.879,516 0.697,517 0.925,518 1.034,519 1.123,520 0.853,521 0.687,522 0.891,523 0.896,524 1.096,525 0.841,526 4.5,528 3.111,529 2.042,530 1.807,531 0.827,532 0.566,533 0.386,534 0.148,535 0.016,536 3654,537 12107,538 2.018,539 40,541 4,543 1,544 3,546 6,549 1.64,550 1.826,551 2.878,552 1.156,554 1,556 1,558 61.309,559 1.752,560 4.032,561 4.436,562 4.572,563 4.572,564 4.572,565 2.244,566 4.202,567 4.364,568 2.982,569 626.115,570 7.519,571 6413.99,572 1,573 1,574 1,575 1,576 179.525,577 1.545,578 4.289,579 0.196,581 0.092,582 0.057,583 0.055,584 0.03,585 0.022,586 0.023,587 0.015,588 0.005,589 0.493,590 0.33,591 1,592 0.911,593 91.933,594 -0.098,595 -0.026,596 -0.006,597 0.044,598 -0.229,599 0.042,600 0.101,601 0.039,602 0.061,603 0.12,604 0.12,605 0.173,606 -0.066,607 -0.134,608 0.008,609 -0.029,610 0.025,611 0.022,612 -0.019,613 0.111,614 -0.102,615 -0.047,616 -0.004,617 -0.024,618 -0.191,619 -0.012,620 -0.035,621 -0.044,622 -0.078,623 -0.148,624 -0.037,625 -0.288,626 -0.017,627 -0.263,628 -0.082,629 -0.33,630 0.121,631 0.035,632 0.045,633 -0.026,634 0.025,635 -0.137,636 0.219,637 0.003,638 0.232,639 0.199,640 0.154,641 0.32,642 1.518,643 3.875,644 0.714,645 13.56,646 1.014,647 1.132,648 3.54,649 12.533,650 0.704,651 3.178,652 3.555,653 3.871,654 4.174,655 4.443,656 4.564,657 4.625,658 4.71,659 4.644,660 4.511,661 4.558,662 0.671,663 348.23,664 3.178,665 4.745,666 5.624,667 6.535,668 7.441,669 8.36,670 9.275,671 10.198,672 11.117,673 12.041,674 14.3,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 35,718 16,719 1,720 23,721 1,722 37,723 14,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,760 14,761 5,762 3,763 7,764 1,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,822 1,823 2,827 21,828 1,832 1,837 1,849 1,850 2.9,852 1,858 11.5,859 6.893,860 4.528,861 2.033,863 3.139,864 1.457,865 0.973,866 3.593,867 10.002,868 3.466,869 4.171,870 4.859,871 5.531,872 6.123,873 6.526,874 6.946,875 7.39,876 7.628,877 7.866,878 0.8,879 36,880 7.702,881 3.287,882 7.821,883 14.481,884 11.813,885 2.321,886 48.75,890 129.482,891 70.311,892 130.862,894 42.683,897 116.265,898 172.165,899 84.908,900 17.65,902 61.326,903 106.404,904 21.966,905 2.328,906 117.711,907 45.954,908 129.482,909 155.219,910 42.683,912 45.954,913 58.856,914 113.31,917 32.518,918 72.467,919 50.234,920 45.954,921 129.482,922 127.591,923 116.265,926 129.482,927 15.614,928 56.474,929 45.954,930 125.815,931 129.482,932 127.591,933 116.265,935 0.599,936 0.36,937 0.193,938 0.114,939 18,940 9,941 0.054,942 2,943 1,944 1.133,945 3.144,946 170.795,947 0.133,948 15,949 90.239,954 14.295,955 5.279,956 2.385,957 1.392,958 125.815,959 6.706,960 12.933,964 2.587,965 1.807,966 75.581,967 373.339,968 31,980 35.483,981 39.619,983 0.342,984 0.786,985 0.865,986 0.891,987 0.891,988 0.891,989 4.718,990 1.062,991 5.652,992 3.512,993 4.234,994 4.856,996 6.538,997 4.11,998 5.979,999 0.815,1000 7.266,1001 2.758,1002 4.007,1003 4.856,1005 7.597,1006 3.806,1007 7.325,1008 0.103,1009 8.98,1010 2.05,1011 5.9,1012 7.201,1014 10.742,1015 5.683,1016 8.712,1017 -0.294,1018 10.751,1019 0.227,1020 6.463,1021 8.029,1023 12.635,1024 6.182,1025 10.132,1026 -0.595,1027 12.558,1028 -0.685,1029 7.886,1030 9.879,1032 15.326,1033 7.589,1034 11.577,1035 -0.815,1036 14.391,1037 -1.604,1038 8.796,1039 11.093,1041 17.569,1042 8.45,1043 13.041,1044 -1,1045 16.242,1046 -2,1047 10.054,1048 12.75,1050 20.115,1051 9.686,1052 3.338,1053 -1.062,1054 18.109,1055 -2.268,1056 11.117,1057 14.146,1059 22.504,1060 10.711,1061 2.827,1062 12.086,1063 19.987,1064 -3.043,1065 12.32,1066 15.729,1068 25.007,1069 11.887,1070 2.533,1071 8.977,1072 21.876,1073 4.732,1074 13.453,1075 17.208,1077 27.456,1078 12.985,1079 2.321,1080 8.067,1081 23.773,1082 3.879,1083 14.641,1084 18.765,1086 29.947,1087 14.144,1088 1.743,1089 7.235,1090 25.677,1091 3.214,1092 15.807,1093 20.281,1095 32.421,1096 15.277,1097 1.508,1098 4.818,1099 27.587,1100 3.085,1101 16.995,1102 21.831,1104 34.91,1105 16.434,1106 1.414,1107 4.123,1108 29.503,1109 2.244,1110 18.176,1111 23.366,1113 37.394,1114 17.582,1115 3681,1116 6819,1117 14.74,1118 24.642,1119 35.678,1120 36.097,1121 37.742,1122 35.384,1123 35.327,1124 47.83,1126 107.705,1127 32.885,1128 5.427,1129 5.381,1130 6.567,1131 5.374,1132 5.338,1133 7.732,1135 19.551,1136 5.216,1137 12.257,1138 1.551,1139 1.569,1140 1.641,1141 1.538,1142 1.536,1143 2.08,1145 4.683,1146 1.43,1147 4.132,1148 4.178,1149 6.88,1150 4,1151 6.469,1152 4.018,1153 3.838,1154 3.859,1155 4.108,1156 3.76,1157 5.254,1158 3.758,1159 3.576,1160 3.654,1161 3.698,1162 3.407,1163 4.873,1164 3.399,1165 3.209,1166 3.286,1167 3.445,1168 3.037,1169 4.618,1170 3.036,1171 3.005,1172 3.112,1173 3.085,1174 2.746,1175 4.452,1176 2.752,1177 2.93,1178 3.009,1179 2.877,1180 2.729,1181 4.073,1182 2.74,1183 2.874,1184 2.97,1185 2.804,1186 2.65,1187 3.74,1188 2.639,1189 2.774,1190 2.824,1191 2.514,1192 2.618,1193 3.588,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.76,1201 0.206,1202 3.381,1204 7.039,1205 0.525,1206 4.301,1207 0.14,1208 3.338,1209 4.732,1211 12.086,1212 3.216,1213 1.925,1214 1.908,1215 1.974,1216 2.034,1217 1.154,1218 2.014,1219 1.794,1220 1.748,1221 1.941,1222 1.968,1223 1.111,1224 1.963,1225 1.609,1226 1.547,1227 1.76,1228 1.801,1229 0.831,1230 1.804,1231 1.142,1232 1.091,1233 1.417,1234 1.399,1235 0.469,1236 1.369,1237 0.934,1238 0.839,1239 1.243,1240 1.239,1241 0.275,1242 1.308,1243 0.883,1244 0.804,1245 1.148,1246 1.219,1247 0.14,1248 1.201,1249 0.876,1250 0.785,1251 1.102,1252 1.134,1253 0.035,1254 1.13,1255 0.761,1256 0.672,1257 0.989,1258 1.053,1260 1.048,1261 3.85,1263 5.209,1264 2.398,1265 6.767,1266 4.844,1267 8.418,1268 7.081,1269 10.117,1270 3.27,1271 4.043,1275 6,1276 9.875,1281 0.139,1289 23.481,1290 61.309,1291 141.119,1292 155.26,1293 160.015,1294 160.015,1295 160.015,1296 32.555,1297 6.863,1298 89.85,1299 89.85,1300 17,1301 12.548,1302 4.087,1303 3.17,1304 31.867,1305 56,1306 59,1307 0.289,1308 152.273,1309 245.57,1310 363.306,1311 7124,1312 2.9,1313 15.146,1314 0.721,1315 0.627,1316 16.146,1317 13.164,1318 9.986,1319 0.434,1320 0.315,1321 6.418,1322 9.059,1323 6.163,1324 5.141,1325 10.563,1326 7.256,1327 9.485,1328 0.279,1329 0.172,1330 10.226,1331 5.865,1332 8.038,1333 0.171,1334 0.083,1335 8.895,1336 3.897,1337 6.619,1338 0.103,1339 0.039,1340 6.922,1341 2.464,1342 5.55,1343 0.066,1344 0.021,1345 5.939,1346 1.786,1347 0.427,1348 71.008,1349 0.26,1350 20.069,1351 0.881,1352 114,1353 336.697,1354 191.411,1355 368.887,1356 501.13,1357 342,1358 138,1359 359.057,1360 186.418,1361 375.745,1362 553.82,1363 353,1364 6.658}
{0 CHEMBL1241579,1 1.766,2 7.773,3 1.645,4 2.707,5 86.264,6 8.616,7 0.667,8 3.748,9 3.88,10 3.417,11 3.244,12 4.982,13 3.251,14 4.218,15 4.388,16 3.822,17 3.637,18 5.395,19 3.627,20 4.456,21 4.648,22 3.974,23 3.76,24 5.687,25 3.742,26 4.537,27 4.757,28 3.851,29 3.764,30 5.732,31 3.722,32 4.486,33 4.712,34 3.723,35 3.715,36 5.605,37 3.661,38 4.407,39 4.601,40 3.74,41 3.674,42 5.603,43 3.618,44 4.491,45 4.74,46 3.599,47 3.584,48 5.725,49 3.464,50 4.348,51 4.649,52 3.301,53 3.257,54 5.444,55 3.088,56 0.139,57 0.601,58 6.424,59 2.733,60 16.976,61 3.436,62 0.232,63 0.906,64 12.066,65 4.705,66 24.714,67 6.226,68 0.416,69 1.051,70 18.975,71 5.751,72 40.198,73 7.691,74 0.505,75 1.111,76 21.989,77 6.08,78 49.822,79 8.318,80 0.416,81 1.059,82 17.939,83 5.661,84 41.53,85 8.042,86 0.326,87 0.984,88 15.312,89 5.365,90 31.247,91 7.414,92 0.527,93 0.889,94 20.967,95 6.262,96 65.82,97 9.002,98 0.514,99 0.596,100 23.898,101 5.831,102 65.467,103 8.554,104 28,105 35,106 0.318,107 0.752,108 0.862,109 0.886,110 0.886,111 0.886,112 3.149,113 0.885,114 -3.89,115 -3.84,116 -3.65,118 37.8,119 1,124 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 2,159 2,160 2,161 1,167 3,170 2,171 6,172 1,173 1,175 2,178 4,180 1,181 1,182 4,183 1,184 1,186 4,188 5,190 1,191 2,192 6,194 4,195 4,197 2,199 3,201 1,204 5,205 1,206 2,208 4,211 1,213 3,215 4,218 1,220 3,223 3,225 3,228 1,230 1,231 3,232 2,233 2,234 3,235 1,237 2,238 1,240 2,245 3,249 2,256 1,259 1,260 1,264 608,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.71,271 11.546,272 8.322,273 15.057,274 11.722,275 11.722,276 11.722,277 11.722,278 11.722,279 8.795,280 7.976,281 3.816,282 12.484,283 3.444,284 1.034,285 0.419,286 0.291,287 0.291,288 0.291,289 3.821,290 1,292 1,293 1,294 1,295 359,296 2.828,299 42.576,300 113.692,303 81.322,307 1.087,308 26.268,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 48.333,320 171,321 4.761,322 3.387,323 7.044,324 4.304,325 3.341,326 4.732,328 12.109,329 3.219,330 4.217,331 3.176,332 6.209,333 3.772,334 2.832,335 3.88,337 9.083,338 2.66,339 3.836,340 2.73,341 5.947,342 3.519,343 2.573,344 3.225,346 8.175,347 2.424,348 3.679,349 2.453,350 5.667,351 3.255,352 2.322,353 3.085,355 7.27,356 2.12,357 3.089,358 1.92,359 4.927,360 2.764,361 1.824,362 2.253,364 5.132,365 1.711,366 2.992,367 1.87,368 4.469,369 2.444,370 1.509,371 2.188,373 4.128,374 1.406,375 2.82,376 1.531,377 4.047,378 2.346,379 1.414,380 1.948,382 3.513,383 1.279,384 2.542,385 1.144,386 4.023,387 2.045,388 1.095,389 1.559,391 2.94,392 1.036,393 2.26,394 1.056,395 3.595,396 1.868,397 0.936,398 1.196,400 2.287,401 0.861,402 1.372,403 0.599,404 2.736,405 1.104,406 0.172,407 0.181,409 0.257,410 0.158,411 1.228,412 0.392,413 2.576,414 0.924,415 0.098,416 0.118,417 0.198,418 0.07,419 1.039,420 -0.158,421 2.387,422 0.609,423 -0.302,424 -0.383,425 -0.695,426 -0.274,427 0.78,428 -0.286,429 2.373,430 0.35,431 -0.595,432 -0.77,433 -1.604,434 -0.539,435 0.609,436 -0.711,437 2.205,438 0.103,439 -0.82,440 -1.105,441 -2.254,442 -0.714,443 0.22,444 -0.867,445 2,446 -0.141,447 -1.059,448 -1.255,449 -2.822,450 -0.892,451 10.448,452 0.475,453 0.648,454 0.029,455 29.75,456 1.352,457 15,458 0.682,459 14.75,460 0.67,461 16.738,462 0.761,463 23.752,464 0.642,465 21.439,466 0.974,467 5.818,468 0.264,469 4.706,470 0.214,471 0.225,473 0.421,478 0.975,479 1.226,480 0.633,481 0.833,482 1.125,483 0.789,484 0.732,485 1.138,486 0.597,487 0.855,488 0.642,489 0.791,490 0.933,491 1.188,492 0.806,493 0.945,494 0.755,495 0.86,496 1.01,497 0.924,498 1.018,499 0.94,500 0.917,501 0.957,502 0.908,503 1.054,504 0.735,505 0.885,506 0.739,507 0.969,508 0.857,509 1.388,510 0.859,511 1.254,512 0.911,513 1.258,514 0.742,515 0.973,516 0.912,517 1.104,518 0.883,519 1.202,520 0.977,521 0.709,522 0.874,523 0.889,524 1.218,525 0.924,526 4.5,528 3.333,529 2.042,530 1.807,531 0.907,532 0.627,533 0.414,534 0.185,535 0.051,536 4133,537 14018,538 2.017,539 40.5,541 6,543 1,544 5,546 3,549 1.654,550 1.833,551 2.953,552 2.824,553 1,554 1,556 1,558 65.334,559 1.766,560 4.175,561 4.79,562 4.919,563 4.919,564 4.919,565 2.392,566 4.459,567 4.43,568 3.047,569 703.914,570 7.655,571 7464.11,572 1,573 1,575 1,576 192.75,577 1.544,578 4.36,579 0.188,581 0.095,582 0.054,583 0.052,584 0.029,585 0.022,586 0.02,587 0.015,588 0.01,589 0.484,590 0.33,591 1,592 1.094,593 98.203,594 -0.16,595 0.021,596 -0.014,597 0.107,598 -0.264,599 0.084,600 0.032,601 0.021,602 0.117,603 0.1,604 0.036,605 0.133,606 0.007,607 -0.117,608 0.079,609 0.01,610 0.092,611 0.07,612 -0.079,613 0.135,614 -0.135,615 -0.026,616 -0.074,617 -0.042,618 -0.104,620 -0.058,621 0.011,622 -0.01,623 -0.039,624 -0.051,625 -0.3,626 -0.14,627 -0.328,628 -0.087,629 -0.336,630 0.171,631 -0.038,632 -0.025,633 -0.164,634 0.115,635 -0.222,636 0.105,637 0.019,638 0.251,639 0.114,640 0.016,641 0.154,642 1.691,643 3.816,644 0.682,645 15.364,646 1.018,647 1.141,648 2.656,649 7.052,650 0.68,651 3.219,652 3.584,653 3.912,654 4.205,655 4.477,656 4.615,657 4.71,658 4.787,659 4.736,660 4.615,661 4.739,662 0.657,663 318.8,664 3.219,665 4.779,666 5.659,667 6.567,668 7.474,669 8.391,670 9.308,671 10.23,672 11.151,673 12.075,674 16.2,675 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 37,718 16,719 1,720 24,722 39,723 14,724 11,725 3,726 3,728 3,729 4,730 1,732 2,738 1,740 11,741 3,756 1,757 1,760 15,761 6,762 5,763 8,764 1,769 6,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,813 1,819 2,823 1,824 1,827 22,828 2,832 1,833 1,837 1,849 1,850 2.7,852 1,858 12,859 6.726,860 4.861,861 2.033,863 3.124,864 1.45,865 0.973,866 3.908,867 10.069,868 3.497,869 4.186,870 4.874,871 5.543,872 6.137,873 6.548,874 6.983,875 7.424,876 7.67,877 7.911,878 1,879 38,880 8.062,881 3.469,882 7.937,883 14.981,884 12.231,885 2.437,886 53.611,890 117.711,891 64.037,892 117.805,893 39.149,894 42.683,897 64.037,898 199.543,899 117.805,900 8.825,901 35.003,902 61.326,903 106.404,904 22.411,905 2.328,906 105.94,907 39.149,908 117.711,909 181.842,910 42.683,911 39.149,913 82.398,914 77.997,917 58.695,918 72.913,919 89.383,921 117.711,922 160.488,923 103.186,926 117.711,927 18.165,928 47.649,930 197.86,931 117.711,932 160.488,933 103.186,935 0.592,936 0.365,937 0.193,938 0.113,939 18,940 9,941 0.077,942 3,943 1,944 1.133,945 3.229,946 181.498,947 0.133,948 15,949 98.107,954 15.03,955 5.721,956 2.531,957 1.236,958 158.712,959 6.285,960 12.85,964 1.831,965 1.717,966 108.478,967 381.385,968 32,980 37.68,981 42.219,983 0.339,984 0.801,985 0.92,986 0.944,987 0.944,988 0.944,989 4.745,990 1.095,991 5.68,992 3.513,993 4.263,994 4.871,996 6.564,997 4.145,998 5.996,999 0.936,1000 7.292,1001 2.94,1002 4.007,1003 4.856,1005 7.621,1006 3.819,1007 7.34,1008 0.172,1009 9.005,1010 2.287,1011 5.927,1012 7.208,1014 10.768,1015 5.719,1016 8.726,1017 0.098,1018 10.775,1019 0.257,1020 6.479,1021 8.032,1023 12.66,1024 6.211,1025 10.144,1026 -0.302,1027 12.582,1028 0.198,1029 7.909,1030 9.882,1032 15.353,1033 7.622,1034 11.588,1035 -0.595,1036 14.414,1037 -0.695,1038 8.815,1039 11.096,1041 17.594,1042 8.48,1043 13.051,1044 -0.82,1045 16.265,1046 -1.604,1047 10.074,1048 12.752,1050 20.141,1051 9.715,1052 3.341,1053 -1.059,1054 18.131,1055 -2.254,1056 11.137,1057 14.148,1059 22.53,1060 10.738,1061 2.832,1062 12.109,1063 20.009,1064 -2.822,1065 12.34,1066 15.73,1068 25.033,1069 11.913,1070 2.573,1071 9.083,1072 21.898,1073 4.732,1074 13.472,1075 17.209,1077 27.483,1078 13.01,1079 2.322,1080 8.175,1081 23.794,1082 3.88,1083 14.661,1084 18.766,1086 29.975,1087 14.168,1088 1.824,1089 7.27,1090 25.698,1091 3.225,1092 15.826,1093 20.283,1095 32.449,1096 15.299,1097 1.509,1098 5.132,1099 27.609,1100 3.085,1101 17.014,1102 21.832,1104 34.94,1105 16.455,1106 1.414,1107 4.128,1108 29.525,1109 2.253,1110 18.196,1111 23.367,1113 37.425,1114 17.603,1115 4172,1116 7793,1117 15.433,1118 25.154,1119 36.468,1120 37.202,1121 39.356,1122 36.26,1123 36.236,1124 48.731,1126 110.184,1127 33.888,1128 5.486,1129 5.387,1130 6.587,1131 5.377,1132 5.341,1133 7.732,1135 19.605,1136 5.219,1137 12.74,1138 1.519,1139 1.55,1140 1.64,1141 1.511,1142 1.51,1143 2.03,1145 4.591,1146 1.412,1147 4.133,1148 4.18,1149 4.131,1150 3.996,1151 6.471,1152 4.018,1153 3.841,1154 3.862,1155 3.947,1156 3.746,1157 5.257,1158 3.754,1159 3.608,1160 3.687,1161 3.483,1162 3.426,1163 5.012,1164 3.425,1165 3.233,1166 3.324,1167 3.352,1168 3.01,1169 4.88,1170 3.034,1171 3.052,1172 3.165,1173 3.059,1174 2.754,1175 4.804,1176 2.776,1177 2.993,1178 3.11,1179 2.873,1180 2.746,1181 4.511,1182 2.747,1183 2.93,1184 2.971,1185 2.804,1186 2.688,1187 4.216,1188 2.69,1189 2.784,1190 2.837,1191 2.734,1192 2.624,1193 3.876,1194 2.626,1195 0.198,1196 0.141,1197 0.293,1198 0.179,1199 0.139,1200 4.761,1201 0.197,1202 3.387,1204 7.044,1205 0.505,1206 4.304,1207 0.134,1208 3.341,1209 4.732,1211 12.109,1212 3.219,1213 1.924,1214 1.907,1215 1.979,1216 2.037,1217 1.176,1218 2.016,1219 1.795,1220 1.748,1221 1.933,1222 1.976,1223 1.11,1224 1.969,1225 1.618,1226 1.556,1227 1.762,1228 1.82,1229 0.829,1230 1.815,1231 1.154,1232 1.097,1233 1.449,1234 1.467,1235 0.475,1236 1.447,1237 1.028,1238 0.902,1239 1.252,1240 1.345,1241 0.262,1242 1.357,1243 0.883,1244 0.839,1245 1.15,1246 1.221,1247 0.139,1248 1.203,1249 0.877,1250 0.785,1251 1.108,1252 1.135,1253 0.033,1254 1.13,1255 0.766,1256 0.673,1257 1.016,1258 1.067,1260 1.065,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.445,1268 7.081,1269 10.143,1271 1.938,1272 5.854,1275 11.725,1276 9.816,1277 0.409,1281 -0.05,1289 24.305,1290 65.334,1291 154.485,1292 177.24,1293 181.995,1294 181.995,1295 181.995,1296 38.844,1297 6.945,1298 115.87,1299 115.87,1300 17,1301 12.581,1302 4.087,1303 3.17,1304 34.119,1305 61,1306 64,1307 0.284,1308 155.486,1309 252.5,1310 371.146,1311 7880,1312 2.7,1313 15.853,1314 0.721,1315 0.574,1316 16.353,1317 12.619,1318 10.524,1319 0.439,1320 0.295,1321 6.625,1322 9.805,1323 6.442,1324 5.341,1325 10.813,1326 7.08,1327 9.626,1328 0.275,1329 0.155,1330 9.997,1331 5.409,1332 8.556,1333 0.175,1334 0.078,1335 8.985,1336 3.816,1337 6.809,1338 0.103,1339 0.036,1340 6.961,1341 2.382,1342 5.709,1343 0.066,1344 0.019,1345 5.904,1346 1.675,1347 0.42,1348 69.393,1349 0.255,1350 20.956,1351 0.861,1352 118,1353 357.558,1354 145.753,1355 381.836,1356 517.19,1357 354,1358 143,1359 371.609,1360 168.842,1361 384.849,1362 567.96,1363 362,1364 6}
{0 CHEMBL1241580,1 1.739,2 7.773,3 3.043,4 9.258,5 85.707,6 8.772,7 0.64,8 3.738,9 3.855,10 3.441,11 3.293,12 4.91,13 3.293,14 4.226,15 4.385,16 3.823,17 3.676,18 5.359,19 3.653,20 4.446,21 4.644,22 3.945,23 3.75,24 5.619,25 3.724,26 4.432,27 4.634,28 3.829,29 3.722,30 5.603,31 3.69,32 4.381,33 4.581,34 3.703,35 3.693,36 5.485,37 3.649,38 4.366,39 4.555,40 3.722,41 3.674,42 5.508,43 3.616,44 4.424,45 4.662,46 3.568,47 3.583,48 5.563,49 3.461,50 4.263,51 4.546,52 3.28,53 3.257,54 5.299,55 3.085,56 0.109,57 0.587,58 5.779,59 2.87,60 12.391,61 3.413,62 0.192,63 0.915,64 11.146,65 4.956,66 18.385,67 6.274,68 0.374,69 1.039,70 19.127,71 6.093,72 38.22,73 7.835,74 0.413,75 1.058,76 19.128,77 5.705,78 37.458,79 7.26,80 0.33,81 1.017,82 14.349,83 5.13,84 31.461,85 6.626,86 0.301,87 0.972,88 14.187,89 5.342,90 28.795,91 6.907,92 0.435,93 0.893,94 19.026,95 6.364,96 52.878,97 8.675,98 0.429,99 0.618,100 21.458,101 6.072,102 53.164,103 8.332,104 10,105 37,106 0.313,107 0.725,108 0.809,109 0.861,110 0.861,111 0.861,112 3.149,113 0.9,114 -4.89,115 -4.8,116 -4.5,118 41.7,120 3,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 7,172 1,173 1,175 2,178 5,180 1,181 1,182 6,186 3,188 5,191 2,192 8,194 3,195 3,197 2,199 4,201 1,204 6,206 1,208 3,211 3,213 2,215 5,218 1,220 3,223 6,225 3,228 2,231 2,232 1,233 1,234 1,235 4,237 1,240 2,245 3,247 1,249 1,257 1,260 2,264 604,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.995,271 12.009,272 8.539,273 15.322,274 12.321,275 12.321,276 12.321,277 12.321,278 12.321,279 9.401,280 8.708,281 4.025,282 13.053,283 3.431,284 1.143,285 0.674,286 0.389,287 0.389,288 0.389,289 3.838,290 1,292 1,293 1,294 1,295 378,296 2.121,298 40.578,299 41.015,300 111.803,303 78.94,307 1.087,308 23.556,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 47.833,320 171,321 4.764,322 3.397,323 7.051,324 4.312,325 3.35,326 4.733,328 12.147,329 3.226,330 4.219,331 3.179,332 6.266,333 3.797,334 2.848,335 3.88,337 9.331,338 2.706,339 3.891,340 2.81,341 5.973,342 3.622,343 2.67,344 3.249,346 8.332,347 2.53,348 3.681,349 2.456,350 5.682,351 3.257,352 2.324,353 3.086,355 7.322,356 2.121,357 3.255,358 2.044,359 5.096,360 2.943,361 1.994,362 2.39,364 5.746,365 1.888,366 2.996,367 1.879,368 4.469,369 2.445,370 1.512,371 2.232,373 4.137,374 1.406,375 2.82,376 1.533,377 4.246,378 2.347,379 1.414,380 1.948,382 3.514,383 1.28,384 2.613,385 1.296,386 4.038,387 2.194,388 1.235,389 1.656,391 3.474,392 1.181,393 2.407,394 1.077,395 3.653,396 1.937,397 1.011,398 1.376,400 2.499,401 0.923,402 1.441,403 0.602,404 2.974,405 1.295,406 0.316,407 0.348,409 0.782,410 0.307,411 1.366,412 0.347,413 2.736,414 1,415 0.1,416 0.121,417 0.222,418 0.071,419 1.041,421 2.618,422 0.924,427 1,428 -0.168,429 2.417,430 0.605,431 -0.307,432 -0.39,433 -0.714,434 -0.279,435 0.78,436 -0.288,437 2.375,438 0.35,439 -0.595,440 -0.771,441 -1.604,442 -0.539,443 0.599,444 -0.715,445 2.241,446 0.088,447 -0.835,448 -1.142,449 -2.341,450 -0.72,451 10.548,452 0.479,453 0.61,454 0.028,455 30,456 1.364,457 15,458 0.682,459 15,460 0.682,461 16.472,462 0.749,463 23.052,464 0.64,465 19.946,466 0.907,467 5.52,468 0.251,469 5.128,470 0.233,471 0.137,473 0.417,478 0.866,479 1.166,480 0.588,481 0.828,482 0.944,483 0.778,484 0.672,485 1.18,486 0.632,487 0.96,488 0.534,489 0.907,490 0.915,491 1.174,492 0.776,493 0.911,494 0.733,495 0.822,496 1.047,497 0.95,498 1.026,499 0.921,500 0.924,501 0.913,502 1.008,503 1.085,504 0.781,505 0.893,506 0.825,507 0.991,508 0.872,509 1.245,510 0.857,511 1.153,512 0.962,513 1.189,514 0.732,515 0.997,516 0.908,517 1.102,518 0.888,519 1.192,520 0.937,521 0.706,522 0.902,523 0.959,524 1.195,525 0.989,526 4,527 0.012,528 3,529 1.917,530 1.669,531 0.705,532 0.505,533 0.376,534 0.16,535 0.061,536 4612,537 13937,538 2.148,539 38.9,540 2,541 4,543 1,544 3,546 4,549 1.653,550 2,551 2.955,552 1.114,553 1,554 1,556 1,558 62.601,559 1.739,560 4.027,561 4.496,562 4.781,563 4.781,564 4.781,565 2.392,566 4.369,567 4.43,568 3.05,569 704.529,570 7.653,571 7446.13,572 1,573 1,574 1,575 1,576 186.117,577 1.437,578 4.388,579 0.16,580 0.012,581 0.086,582 0.052,583 0.048,584 0.023,585 0.017,586 0.018,587 0.013,588 0.012,589 0.441,590 0.33,591 1,592 0.595,593 98.167,594 -0.093,595 0.012,596 0.003,597 0.076,598 -0.137,599 0.066,600 0.065,601 -0.068,602 0.06,603 -0.041,604 0.105,605 -0.012,606 0.034,607 -0.155,608 0.13,609 0.031,610 0.138,611 0.116,612 -0.078,613 0.125,614 -0.131,615 -0.019,616 -0.061,617 -0.019,618 -0.181,619 0.008,620 -0.137,621 -0.022,622 -0.077,623 -0.106,624 -0.048,625 -0.179,626 -0.136,627 -0.251,628 -0.108,629 -0.286,630 0.167,631 -0.065,632 -0.01,633 -0.138,634 0.097,635 -0.19,636 0.153,637 0.054,638 0.252,639 0.098,640 0.054,641 0.131,642 1.652,643 3.847,644 0.864,645 15.182,646 1.016,647 1.131,648 3.664,649 13.425,650 0.699,651 3.258,652 3.638,653 3.989,654 4.263,655 4.554,656 4.718,657 4.868,658 4.99,659 4.956,660 4.875,661 4.735,662 0.675,663 315.79,664 3.258,665 4.828,666 5.72,667 6.635,668 7.548,669 8.471,670 9.393,671 10.32,672 11.246,673 12.176,674 13.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 36,718 16,719 1,720 25,722 39,723 15,724 11,725 3,726 3,728 4,729 5,730 1,735 4,738 4,740 11,741 4,756 1,757 1,760 14,761 5,762 3,763 7,764 1,769 5,775 0.75,776 1,785 1,788 1,792 1,793 1,794 2,797 1,819 3,824 1,827 22,828 1,832 1,833 3,837 1,849 1,850 2.8,852 1,858 11,859 6.393,860 4.694,861 2.199,863 3.095,864 1.433,865 1.008,866 3.203,867 10.248,868 3.526,869 4.216,870 4.904,871 5.562,872 6.164,873 6.589,874 7.046,875 7.501,876 7.759,877 8.014,878 1,879 37,880 8.103,881 3.597,882 7.801,883 15.407,884 13.25,885 2.301,886 50.611,890 129.482,891 60.71,892 84.908,893 39.149,894 42.683,897 60.71,898 211.314,899 84.908,901 7.604,902 61.326,903 106.404,904 22.411,905 2.328,906 117.711,907 39.149,908 129.482,909 145.618,910 42.683,911 39.149,913 82.398,914 89.768,917 22.471,918 72.913,919 89.383,921 129.482,922 127.591,923 99.859,926 129.482,927 23.663,928 38.824,930 164.963,931 129.482,932 127.591,933 99.859,935 0.596,936 0.364,937 0.188,938 0.109,939 21,940 9,941 0.051,942 2,943 1,944 1.105,945 3.378,946 188.186,947 0.105,948 19,949 96.107,954 13.794,955 5.109,956 2.161,957 1.456,958 125.815,959 6.487,960 13.12,964 2.12,965 1.928,966 75.581,967 356.932,968 33,980 36.578,981 40.721,983 0.336,984 0.779,985 0.87,986 0.925,987 0.925,988 0.925,989 4.787,990 1.235,991 5.733,992 3.514,993 4.317,994 4.902,996 6.619,997 4.209,998 6.028,999 1.011,1000 7.339,1001 3.474,1002 4.007,1003 4.856,1005 7.656,1006 3.819,1007 7.374,1008 0.316,1009 9.047,1010 2.499,1011 5.999,1012 7.228,1014 10.823,1015 5.809,1016 8.758,1017 0.1,1018 10.815,1019 0.782,1020 6.509,1021 8.038,1023 12.71,1024 6.248,1025 10.175,1027 12.62,1028 0.222,1029 7.979,1030 9.892,1032 15.404,1033 7.712,1034 11.617,1035 -0.307,1036 14.452,1038 8.86,1039 11.101,1041 17.644,1042 8.535,1043 13.078,1044 -0.595,1045 16.303,1046 -0.714,1047 10.137,1048 12.758,1050 20.191,1051 9.796,1052 3.35,1053 -0.835,1054 18.169,1055 -1.604,1056 11.187,1057 14.152,1059 22.579,1060 10.799,1061 2.848,1062 12.147,1063 20.047,1064 -2.341,1065 12.397,1066 15.734,1068 25.082,1069 11.984,1070 2.67,1071 9.331,1072 21.935,1073 4.733,1074 13.524,1075 17.212,1077 27.531,1078 13.071,1079 2.324,1080 8.332,1081 23.832,1082 3.88,1083 14.715,1084 18.769,1086 30.024,1087 14.232,1088 1.994,1089 7.322,1090 25.736,1091 3.249,1092 15.878,1093 20.286,1095 32.499,1096 15.358,1097 1.512,1098 5.746,1099 27.646,1100 3.086,1101 17.068,1102 21.835,1104 34.991,1105 16.515,1106 1.414,1107 4.137,1108 29.561,1109 2.39,1110 18.249,1111 23.37,1113 37.478,1114 17.66,1115 4399,1116 7772,1117 16.819,1118 25.148,1119 37.867,1120 38.406,1121 39.693,1122 37.705,1123 37.548,1124 50.037,1126 115.014,1127 35.275,1128 5.764,1129 5.397,1130 6.669,1131 5.385,1132 5.35,1133 7.733,1135 19.676,1136 5.226,1137 9.835,1138 1.515,1139 1.536,1140 1.588,1141 1.508,1142 1.502,1143 2.001,1145 4.601,1146 1.411,1147 4.148,1148 4.196,1149 4.139,1150 4.009,1151 6.471,1152 4.03,1153 3.863,1154 3.892,1155 3.953,1156 3.78,1157 5.255,1158 3.779,1159 3.763,1160 3.812,1161 3.664,1162 3.644,1163 4.892,1164 3.642,1165 3.26,1166 3.345,1167 3.357,1168 3.02,1169 4.809,1170 3.051,1171 3.023,1172 3.117,1173 3.112,1174 2.768,1175 4.52,1176 2.8,1177 2.931,1178 2.971,1179 2.874,1180 2.745,1181 4.263,1182 2.747,1183 2.806,1184 2.862,1185 2.804,1186 2.625,1187 4.091,1188 2.631,1189 2.524,1190 2.66,1191 2.422,1192 2.274,1193 3.679,1194 2.228,1195 0.191,1196 0.136,1197 0.282,1198 0.172,1199 0.134,1200 4.764,1201 0.189,1202 3.397,1204 7.051,1205 0.486,1206 4.312,1207 0.129,1208 3.35,1209 4.733,1211 12.147,1212 3.226,1213 1.931,1214 1.909,1215 2.096,1216 2.088,1217 1.491,1218 2.087,1219 1.899,1220 1.85,1221 1.977,1222 2.004,1223 1.116,1224 2,1225 1.713,1226 1.674,1227 1.785,1228 1.874,1229 0.856,1230 1.862,1231 1.198,1232 1.142,1233 1.285,1234 1.479,1235 0.393,1236 1.432,1237 0.911,1238 0.843,1239 1.15,1240 1.222,1241 0.325,1242 1.205,1243 0.883,1244 0.834,1245 1.113,1246 1.141,1247 0.191,1248 1.131,1249 0.791,1250 0.69,1251 1.079,1252 1.091,1253 0.12,1254 1.095,1255 0.585,1256 0.489,1257 1.067,1258 0.895,1260 0.967,1261 3.932,1263 5.333,1264 2.398,1265 6.913,1266 4.844,1267 8.575,1268 7.081,1269 10.28,1272 5.88,1275 6.042,1276 9.847,1277 3.377,1281 0.353,1289 24.283,1290 62.601,1291 144.956,1292 161.853,1293 172.117,1294 172.117,1295 172.117,1296 32.595,1297 7.153,1298 89.85,1299 89.85,1300 21,1301 12.679,1302 4.087,1303 3.17,1304 29.624,1305 61,1306 64,1307 0.243,1308 150.891,1309 246.44,1310 359.934,1311 10300,1312 2.8,1313 15.267,1314 0.694,1315 0.566,1316 15.767,1317 12.455,1318 10.648,1319 0.426,1320 0.3,1321 7.061,1322 9.977,1323 6.928,1324 5.68,1325 10.937,1326 7.503,1327 9.931,1328 0.268,1329 0.16,1330 10.302,1331 5.909,1332 8.937,1333 0.169,1334 0.084,1335 9.365,1336 4.478,1337 7.058,1338 0.101,1339 0.038,1340 7.21,1341 2.657,1342 6.013,1343 0.064,1344 0.02,1345 6.207,1346 1.909,1347 0.361,1348 69.783,1349 0.244,1350 21.017,1351 0.735,1352 124,1353 354.246,1354 151.059,1355 378.247,1356 517.53,1357 352,1358 152,1359 376.186,1360 177.315,1361 388.855,1362 576.94,1363 367,1364 5.824}
{0 CHEMBL1241581,1 1.563,2 7.958,3 2.339,4 5.47,5 94.973,6 7.373,7 0.593,8 3.91,9 4.048,10 3.474,11 3.4,12 5.02,13 3.396,14 4.444,15 4.627,16 3.849,17 3.816,18 5.463,19 3.788,20 4.669,21 4.891,22 3.914,23 3.914,24 5.676,25 3.865,26 4.708,27 4.945,28 3.917,29 3.91,30 5.758,31 3.865,32 4.665,33 4.889,34 3.816,35 3.921,36 5.661,37 3.854,38 4.636,39 4.855,40 3.779,41 3.892,42 5.643,43 3.813,44 4.673,45 4.919,46 3.652,47 3.816,48 5.676,49 3.71,50 4.618,51 4.902,52 3.298,53 3.618,54 5.531,55 3.461,56 0.072,57 0.716,58 9.459,59 3.565,60 11.54,61 4.993,62 0.208,63 1.123,64 17.648,65 6.292,66 20.261,67 8.924,68 0.253,69 1.315,70 23.176,71 7.252,72 28.73,73 11.128,74 0.411,75 1.344,76 24.903,77 7.106,78 40.148,79 10.887,80 0.323,81 1.307,82 23.137,83 6.893,84 33.84,85 10.638,86 0.253,87 1.258,88 22.177,89 7.326,90 29.673,91 11.024,92 0.4,93 1.204,94 24.149,95 7.352,96 41.596,97 11.377,98 0.363,99 1.007,100 24.35,101 7.331,102 44.558,103 11.169,104 11,105 39,106 0.27,107 0.646,108 0.765,109 0.831,110 0.831,111 0.831,112 3.23,113 0.901,114 -4.38,115 -4.31,116 -4.07,118 38.6,120 4,123 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 2,159 2,160 2,161 1,167 6,170 2,171 8,172 1,173 1,175 2,178 6,180 2,181 1,182 9,183 1,184 1,186 2,188 3,190 2,191 2,192 10,194 3,195 3,197 2,199 3,201 2,203 1,204 8,208 2,211 4,213 2,214 1,215 4,217 1,218 1,220 4,223 6,225 4,227 2,228 2,230 2,231 2,233 2,235 6,237 2,240 2,242 2,243 2,244 1,246 2,247 2,250 1,252 2,257 2,262 2,264 774,265 16.508,266 16.508,267 16.508,268 16.508,269 16.508,270 14.624,271 15.194,272 9.56,273 16.94,274 13.259,275 13.259,276 13.259,277 13.259,278 13.259,279 10.328,280 13.155,281 4.423,282 13.882,283 3.896,284 1.722,285 1.034,286 0.654,287 0.654,288 0.654,289 3.925,292 1,293 1,294 1,295 417,296 2.345,299 97.793,300 123.928,303 86.997,307 1.135,308 20.721,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52,320 191,321 4.764,322 3.392,323 7.051,324 4.311,325 3.348,326 4.733,327 0.86,328 12.147,329 3.226,330 4.241,331 3.073,332 6.271,333 3.836,334 2.872,335 3.899,337 9.367,338 2.764,339 3.88,340 2.781,341 6.054,342 3.625,343 2.661,344 3.245,346 8.624,347 2.563,348 3.692,349 2.422,350 5.719,351 3.298,352 2.34,353 3.097,355 7.486,356 2.238,357 3.239,358 2.038,359 5.079,360 2.948,361 1.995,362 2.365,364 5.689,365 1.898,366 3.001,367 1.88,368 4.469,369 2.478,370 1.539,371 2.237,373 4.136,374 1.438,375 2.881,376 1.527,377 4.235,378 2.448,379 1.507,380 2.019,382 3.828,383 1.414,384 2.638,385 1.406,386 4.201,387 2.306,388 1.342,389 1.684,391 3.529,392 1.29,393 2.442,394 1.055,395 3.663,396 1.975,397 1.035,398 1.423,400 2.566,401 0.971,402 1.858,403 0.94,404 3.249,405 1.662,406 0.684,407 0.785,409 1.743,410 0.668,411 1.717,412 0.704,413 3,414 1.618,415 0.618,416 0.618,417 1.372,418 0.618,419 1.618,420 0.618,421 2.879,422 1.412,423 0.525,424 0.607,425 0.884,426 0.461,427 1.125,428 0.157,429 2.693,430 0.799,431 -0.132,432 -0.157,433 -0.255,434 -0.122,435 1.047,436 -0.162,437 2.461,438 0.605,439 -0.306,440 -0.391,441 -0.706,442 -0.279,443 0.652,444 -0.553,445 2.333,446 0.184,447 -0.753,448 -0.998,449 -2.047,450 -0.699,451 11.233,452 0.468,453 0.572,454 0.024,455 31.75,456 1.323,457 15.5,458 0.646,459 16.25,460 0.677,461 19.179,462 0.799,463 25.967,464 0.59,465 22.294,466 0.929,467 5.914,468 0.246,469 5.772,470 0.24,471 0.116,473 0.392,478 0.961,479 1.266,480 0.81,481 1.054,482 1.109,483 0.925,484 0.983,485 1.119,486 0.806,487 0.98,488 0.656,489 0.894,490 0.89,491 1.271,492 0.859,493 1.07,494 0.67,495 0.974,496 1.123,497 0.948,498 0.919,499 0.842,500 0.989,501 0.845,502 1.12,503 1.065,504 1.115,505 0.992,506 1.082,507 1.029,508 0.871,509 1.196,510 1.07,511 1.197,512 1.021,513 1.163,514 0.852,515 1.087,516 1.128,517 1.168,518 1.161,519 1.182,520 1.058,521 0.892,522 1.127,523 1.093,524 0.922,525 1.125,526 4,527 0.04,528 3.111,529 1.944,530 1.687,531 0.858,532 0.551,533 0.471,534 0.185,535 0.103,536 5741,537 13980,538 2.135,539 45.5,540 4,541 7,543 1,544 4,546 4,549 1.677,550 2,551 3.022,552 1.819,553 1,554 1,556 1,558 68.78,559 1.563,560 3.737,561 4.425,562 4.806,563 4.806,564 4.806,565 2.44,566 4.22,567 4.556,568 3.144,569 867.711,570 7.907,571 9796.79,573 1,575 1,576 240.215,577 1.406,578 4.518,579 0.148,580 0.01,581 0.08,582 0.049,583 0.042,584 0.024,585 0.016,586 0.017,587 0.01,588 0.01,589 0.406,590 0.17,591 1,592 0.757,593 110.805,594 -0.047,595 -0.014,596 0.051,597 0.019,598 -0.123,599 0.049,600 0.028,601 0.001,602 0.11,603 0.067,604 0.127,605 0.089,606 0.05,607 -0.219,608 0.088,609 -0.075,610 0.172,611 -0.001,612 -0.015,613 0.103,614 0.061,615 0.099,616 0.022,617 0.09,618 -0.174,619 0.021,620 -0.173,621 -0.019,622 -0.17,623 -0.078,624 -0.015,625 -0.131,626 -0.143,627 -0.189,628 -0.085,629 -0.183,630 0.106,631 -0.086,632 -0.161,633 -0.199,634 -0.078,635 -0.216,636 -0.019,637 -0.017,638 -0.113,639 -0.136,640 0.092,641 -0.141,642 1.227,643 2.146,644 0.833,645 17.667,646 1.003,647 1.139,648 3.148,649 9.911,650 0.655,651 3.332,652 3.689,653 4.043,654 4.369,655 4.605,656 4.787,657 4.956,658 5.112,659 5.142,660 5.094,661 5.051,662 0.626,663 324.43,664 3.332,665 4.89,666 5.778,667 6.686,668 7.595,669 8.514,670 9.433,671 10.356,672 11.28,673 12.207,674 13.6,678 2,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 2,714 1,716 44,718 16,719 1,720 27,722 47,723 17,724 11,725 3,726 3,728 4,729 5,735 5,738 5,740 11,741 6,756 1,757 1,760 20,761 6,762 4,763 7,769 6,775 0.75,776 1,785 1,788 1,793 2,794 2,797 1,819 3,823 1,827 24,828 2,833 4,835 1,837 1,850 2.3,855 1,858 12,859 8.05,860 5.278,861 2.655,863 3.099,864 1.421,865 1.018,866 3.866,867 10.463,868 3.584,869 4.245,870 4.934,871 5.604,872 6.187,873 6.62,874 7.088,875 7.552,876 7.836,877 8.107,878 1,879 40,880 8.84,881 3.809,882 7.646,883 17.063,884 14.398,885 2.146,886 51.5,889 1,890 188.338,891 78.627,892 117.805,894 11,897 78.627,898 199.338,899 117.805,900 10.883,901 10.138,902 94.223,903 63.72,904 37.911,905 2.328,906 176.567,908 188.338,909 196.432,910 11,913 141.253,914 58.084,917 25.005,918 121.193,919 50.234,921 188.338,922 128.805,923 78.627,926 188.338,927 30.697,928 49.707,930 127.028,931 188.338,932 128.805,933 78.627,935 0.584,936 0.363,937 0.206,938 0.109,939 21,940 9,941 0.064,942 3,943 1,944 1.1,945 3.512,946 211.454,947 0.1,948 20,949 106.039,954 15.364,955 6.039,956 2.556,957 1.58,958 127.028,959 7.111,960 13.443,964 3.309,965 2.012,966 65.794,967 395.77,968 35,980 44.123,981 50.106,983 0.286,984 0.685,985 0.811,986 0.88,987 0.88,988 0.88,989 4.836,990 1.342,991 5.778,992 3.828,993 4.369,994 4.931,995 0.908,996 6.655,997 4.285,998 6.061,999 1.035,1000 7.376,1001 3.529,1002 4.007,1003 4.856,1005 7.689,1006 3.883,1007 7.395,1008 0.684,1009 9.078,1010 2.566,1011 6.019,1012 7.237,1013 0.739,1014 10.85,1015 5.861,1016 8.773,1017 0.618,1018 10.842,1019 1.743,1020 6.524,1021 8.046,1023 12.741,1024 6.326,1025 10.187,1026 0.525,1027 12.645,1028 1.372,1029 7.989,1030 9.899,1031 0.593,1032 15.428,1033 7.76,1034 11.627,1035 -0.132,1036 14.475,1037 0.884,1038 8.874,1039 11.108,1041 17.667,1042 8.605,1043 13.088,1044 -0.306,1045 16.326,1046 -0.255,1047 10.145,1048 12.764,1049 0.469,1050 20.209,1051 9.844,1052 3.348,1053 -0.753,1054 18.192,1055 -0.706,1056 11.198,1057 14.158,1059 22.594,1060 10.858,1061 2.872,1062 12.147,1063 20.069,1064 -2.047,1065 12.404,1066 15.74,1067 0.366,1068 25.094,1069 12.03,1070 2.661,1071 9.367,1072 21.957,1073 4.733,1074 13.532,1075 17.218,1077 27.541,1078 13.12,1079 2.34,1080 8.624,1081 23.853,1082 3.899,1083 14.721,1084 18.774,1085 0.283,1086 30.032,1087 14.273,1088 1.995,1089 7.486,1090 25.756,1091 3.245,1092 15.884,1093 20.29,1095 32.505,1096 15.398,1097 1.539,1098 5.689,1099 27.665,1100 3.097,1101 17.072,1102 21.839,1103 0.217,1104 34.996,1105 16.55,1106 1.507,1107 4.136,1108 29.579,1109 2.365,1110 18.252,1111 23.373,1113 37.481,1114 17.693,1115 5508,1116 8728,1117 18.205,1118 28.819,1119 40.833,1120 41.171,1121 42.424,1122 40.991,1123 40.931,1124 53.422,1125 1.72,1126 122.743,1127 39.099,1128 5.666,1129 5.392,1130 6.646,1131 5.386,1132 5.348,1133 7.733,1134 1.72,1135 19.685,1136 5.226,1137 10.553,1138 1.512,1139 1.525,1140 1.571,1141 1.518,1142 1.516,1143 1.979,1144 0.064,1145 4.546,1146 1.448,1147 4.146,1148 4.193,1149 4.124,1150 4.006,1151 5.26,1152 4.028,1153 3.874,1154 3.909,1155 3.816,1156 3.772,1157 5.121,1158 3.776,1159 3.78,1160 3.834,1161 3.662,1162 3.654,1163 4.862,1164 3.653,1165 3.31,1166 3.392,1167 3.239,1168 3.046,1169 4.643,1170 3.083,1171 3.227,1172 3.303,1173 3.058,1174 2.946,1175 4.51,1176 2.96,1177 3.071,1178 3.169,1179 2.956,1180 2.838,1181 4.29,1182 2.857,1183 2.927,1184 3.048,1185 2.777,1186 2.671,1187 4.135,1188 2.661,1189 2.869,1190 2.979,1191 2.583,1192 2.644,1193 3.69,1194 2.635,1195 0.176,1196 0.126,1197 0.261,1198 0.16,1199 0.124,1200 4.764,1201 0.175,1202 3.392,1203 0.032,1204 7.051,1205 0.45,1206 4.311,1207 0.119,1208 3.348,1209 4.733,1210 0.86,1211 12.147,1212 3.226,1213 1.931,1214 1.911,1215 2.002,1216 2.039,1217 1.243,1218 2.025,1219 1.791,1220 1.746,1221 1.891,1222 1.983,1223 1.211,1224 1.958,1225 1.59,1226 1.532,1227 1.86,1228 1.789,1229 1.124,1230 1.793,1231 1.577,1232 1.507,1233 1.753,1234 1.751,1235 0.845,1236 1.782,1237 1.218,1238 1.156,1239 1.571,1240 1.518,1241 0.574,1242 1.534,1243 1.137,1244 1.062,1245 1.314,1246 1.41,1247 0.294,1248 1.395,1249 0.911,1250 0.808,1251 1.195,1252 1.287,1253 0.151,1254 1.275,1255 0.797,1256 0.725,1257 1.098,1258 1.126,1259 0.094,1260 1.11,1261 4.007,1263 5.352,1264 3.045,1265 6.899,1266 5.352,1267 8.541,1268 7.455,1269 10.237,1271 1.599,1275 12.072,1277 4.672,1279 5.334,1281 0.367,1289 27.531,1290 68.78,1291 164.441,1292 194.705,1293 211.46,1294 211.46,1295 211.46,1296 33.39,1297 7.364,1298 104.87,1299 104.87,1300 22,1301 12.711,1302 4.087,1303 3.17,1304 33.535,1305 71,1306 72,1307 0.235,1308 168.537,1309 276.83,1310 402.99,1311 13619,1313 16.681,1314 0.695,1315 0.565,1316 16.681,1317 13.567,1318 11.686,1319 0.433,1320 0.3,1321 7.983,1322 11.183,1323 7.818,1324 6.485,1325 11.686,1326 8.113,1327 10.476,1328 0.269,1329 0.158,1330 10.476,1331 6.146,1332 9.475,1333 0.169,1334 0.084,1335 9.475,1336 4.696,1337 8.212,1338 0.105,1339 0.044,1340 8.212,1341 3.459,1342 6.397,1343 0.065,1344 0.021,1345 6.397,1346 2.036,1347 0.351,1348 73.662,1349 0.234,1350 22.7,1351 0.704,1352 132,1353 356.94,1354 145.342,1355 348.798,1356 492.63,1357 328,1358 161,1359 383.684,1360 176.007,1361 388.594,1362 573.83,1363 365,1364 7.347}
{0 CHEMBL1241582,1 1.572,2 7.286,3 1.822,4 3.318,5 83.379,6 7.457,7 0.696,8 3.751,9 3.885,10 3.315,11 3.251,12 4.915,13 3.244,14 4.245,15 4.431,16 3.678,17 3.63,18 5.344,19 3.607,20 4.438,21 4.646,22 3.761,23 3.751,24 5.524,25 3.714,26 4.554,27 4.788,28 3.761,29 3.771,30 5.661,31 3.719,32 4.473,33 4.693,34 3.613,35 3.728,36 5.519,37 3.659,38 4.425,39 4.636,40 3.538,41 3.672,42 5.546,43 3.59,44 4.5,45 4.772,46 3.234,47 3.558,48 5.492,49 3.413,50 4.33,51 4.65,52 2.805,53 3.241,54 5.301,55 3.031,56 0.073,57 0.608,58 7.907,59 3.079,60 11.952,61 4.213,62 0.185,63 0.936,64 14.246,65 5.048,66 22.055,67 7.175,68 0.168,69 1.099,70 17.661,71 5.705,72 20.565,73 8.574,74 0.345,75 1.159,76 21.036,77 6.449,78 38.824,79 9.595,80 0.218,81 1.078,82 18.774,83 5.811,84 27.158,85 8.729,86 0.219,87 1.023,88 17.646,89 5.699,90 32.387,91 8.522,92 0.306,93 0.958,94 20.938,95 6.097,96 38.329,97 9.511,98 0.367,99 0.682,100 19.28,101 5.791,102 52.187,103 9.065,104 21,105 33,106 0.281,107 0.685,108 0.801,109 0.838,110 0.838,111 0.838,112 3.105,113 0.887,114 -4.11,115 -4.05,116 -3.84,118 39.5,119 2,124 1,126 1,138 4,139 3,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 7,172 1,173 1,175 2,178 8,180 1,181 1,182 5,186 2,188 5,191 2,192 8,194 3,195 3,197 3,199 4,201 1,204 7,208 3,211 3,213 2,215 7,218 1,220 5,223 4,225 4,228 2,231 1,233 1,235 4,237 1,243 2,244 1,246 1,247 2,257 2,264 538,265 14.146,266 14.146,267 14.146,268 14.146,269 14.146,270 12.315,271 14.203,272 8.188,273 14.428,274 11.277,275 11.277,276 11.277,277 11.277,278 11.277,279 8.41,280 12.894,281 3.764,282 11.74,283 3.676,284 1.425,285 0.777,286 0.566,287 0.566,288 0.566,289 3.781,292 1,293 1,294 1,295 323,296 2.739,299 39.203,300 107.011,303 75.153,307 1.061,308 18.866,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 45.5,320 153,321 4.759,322 3.375,323 7.039,324 4.3,325 3.336,326 4.731,327 0.765,328 12.085,329 3.217,330 4.094,331 2.853,332 6.158,333 3.7,334 2.72,335 3.71,337 8.894,338 2.665,339 3.797,340 2.649,341 5.793,342 3.455,343 2.498,344 3.202,346 7.753,347 2.386,348 3.551,349 2.374,350 5.257,351 3.177,352 2.207,353 2.913,355 6.515,356 2.138,357 3.028,358 1.823,359 4.818,360 2.683,361 1.742,362 2.222,364 4.817,365 1.636,366 2.977,367 1.595,368 4.408,369 2.476,370 1.525,371 2.126,373 4.02,374 1.447,375 2.695,376 1.268,377 3.859,378 2.197,379 1.225,380 1.784,382 2.807,383 1.188,384 2.457,385 1,386 3.521,387 1.964,388 1,389 1.438,391 2.528,392 0.962,393 2.112,394 0.935,395 3.446,396 1.739,397 0.779,398 1.008,400 1.979,401 0.746,402 1.583,403 0.811,404 2.717,405 1.32,406 0.427,407 0.48,409 0.621,410 0.376,411 1.062,412 -0.151,413 2.582,414 0.631,415 -0.286,416 -0.363,417 -0.667,418 -0.261,419 0.834,420 -0.429,421 2.416,422 0.393,423 -0.577,424 -0.782,425 -1.358,426 -0.559,427 0.606,428 -0.632,429 2.252,430 0.171,431 -0.786,432 -1,433 -2,434 -0.746,435 0.556,436 -0.815,437 2,438 0.064,439 -0.881,440 -1.02,441 -2.003,442 -0.833,443 0.157,444 -1,445 1.672,447 -1,448 -1.162,449 -2.467,450 -1,451 9.833,452 0.468,453 0.559,454 0.027,455 28.25,456 1.345,457 14.5,458 0.69,459 13.75,460 0.655,461 15.659,462 0.746,463 22.567,464 0.594,465 19.496,466 0.928,467 5.513,468 0.263,469 4.6,470 0.219,471 0.176,473 0.397,478 0.955,479 1.263,480 0.817,481 1.029,482 1.1,483 0.923,484 0.85,485 1.071,486 0.753,487 0.896,488 0.789,489 0.827,490 0.886,491 1.248,492 0.865,493 1.025,494 0.611,495 0.942,496 0.956,497 0.928,498 0.907,499 0.892,500 0.908,501 0.889,502 1.147,503 1.152,504 1.147,505 1.086,506 0.884,507 1.099,508 1.009,509 1.299,510 1.211,511 1.272,512 0.976,513 1.266,514 1.017,515 1.006,516 1.253,517 1.149,518 1.117,519 1.21,520 0.627,521 0.657,522 0.94,523 0.906,524 0.723,525 0.962,526 4,528 2.444,529 1.979,530 1.656,531 0.778,532 0.478,533 0.299,534 0.123,535 0.016,536 3674,537 9965,538 2.045,539 44.7,541 7,543 1,544 3,546 6,549 1.641,550 1.881,551 2.883,552 1.109,553 1,554 1,556 1,558 59.721,559 1.572,560 3.823,561 4.471,562 4.682,563 4.682,564 4.682,565 2.244,566 4.107,567 4.363,568 2.983,569 626.432,570 7.521,571 6445.86,572 1,573 1,575 1,576 199.421,577 1.51,578 4.305,579 0.174,581 0.074,582 0.057,583 0.049,584 0.027,585 0.018,586 0.018,587 0.012,588 0.005,589 0.434,590 0.67,591 1,592 0.988,593 92.018,594 -0.056,595 -0.04,596 0.029,597 0.029,598 -0.204,599 0.036,600 0.063,601 0.053,602 0.151,603 0.121,604 0.014,605 0.138,606 -0.046,607 -0.149,608 0.051,609 -0.039,610 0.046,611 0.014,612 0.051,613 0.114,614 0.058,615 0.057,616 0.02,617 0.054,618 -0.229,619 -0.08,620 -0.217,621 -0.118,622 -0.098,623 -0.152,624 -0.111,625 -0.229,626 -0.291,627 -0.292,628 -0.071,629 -0.315,630 -0.106,631 -0.062,632 -0.267,633 -0.211,634 -0.182,635 -0.248,636 0.289,637 0.121,638 0.11,639 0.053,640 0.287,641 0.06,642 1.511,643 3.295,644 0.714,645 13.732,646 1.004,647 1.137,648 2.879,649 8.287,650 0.659,651 3.178,652 3.526,653 3.85,654 4.174,655 4.431,656 4.543,657 4.615,658 4.673,659 4.595,660 4.511,661 4.573,662 0.631,663 283.37,664 3.178,665 4.727,666 5.602,667 6.509,668 7.412,669 8.329,670 9.242,671 10.163,672 11.081,673 12.005,674 13.2,678 1,682 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,708 1,716 38,718 16,719 1,720 23,722 40,723 15,724 11,725 2,726 4,728 3,729 4,732 3,738 1,740 11,741 4,756 1,757 1,760 17,761 5,762 3,763 6,769 5,775 0.667,776 1,777 1,785 1,788 1,793 1,794 2,797 1,817 1,819 2,823 2,827 21,828 1,832 1,833 1,837 1,850 2.6,851 1,858 11.167,859 7.333,860 4.667,861 2.221,863 3.149,864 1.459,865 0.961,866 3.516,867 10.011,868 3.466,869 4.139,870 4.835,871 5.522,872 6.105,873 6.498,874 6.929,875 7.349,876 7.57,877 7.836,878 0.8,879 35,880 7.71,881 3.253,882 7.778,883 14.627,884 11.895,885 2.278,886 47.833,890 164.795,891 79.918,892 84.908,894 42.683,897 79.918,898 207.479,899 84.908,900 17.65,902 113.486,903 63.72,904 22.096,905 2.328,906 153.024,908 164.795,909 164.826,910 42.683,913 94.169,914 70.627,915 42.683,917 32.518,918 82.074,919 50.234,921 164.795,922 127.591,923 79.918,926 164.795,927 15.744,928 65.951,930 125.815,931 164.795,932 127.591,933 79.918,935 0.583,936 0.355,937 0.202,938 0.118,939 17,940 8,941 0.075,942 3,943 1,944 1.133,945 3.178,946 169.479,947 0.133,948 15,949 90.239,954 13.835,955 5.337,956 2.339,957 1.475,958 125.815,959 9.051,960 13.032,964 2.881,965 1.842,966 75.581,967 372.305,968 31,980 38.138,981 43.192,983 0.299,984 0.729,985 0.852,986 0.892,987 0.892,988 0.892,989 4.7,990 1,991 5.609,992 2.807,993 4.205,994 4.824,995 0.775,996 6.485,997 4.129,998 5.94,999 0.779,1000 7.209,1001 2.528,1002 3.892,1003 4.745,1005 7.532,1006 3.793,1007 7.274,1008 0.427,1009 8.912,1010 1.979,1011 5.849,1012 7.149,1013 0.521,1014 10.685,1015 5.707,1016 8.651,1017 -0.286,1018 10.676,1019 0.621,1020 6.365,1021 7.939,1023 12.59,1024 6.193,1025 10.065,1026 -0.577,1027 12.48,1028 -0.667,1029 7.82,1030 9.819,1031 0.336,1032 15.285,1033 7.613,1034 11.505,1035 -0.786,1036 14.312,1037 -1.358,1038 8.71,1039 11.02,1041 17.54,1042 8.468,1043 12.967,1044 -0.881,1045 16.165,1046 -2,1047 9.983,1048 12.692,1049 0.21,1050 20.09,1051 9.706,1052 3.336,1053 -1,1054 18.034,1055 -2.003,1056 11.042,1057 14.087,1059 22.487,1060 10.728,1061 2.72,1062 12.085,1063 19.917,1064 -2.467,1065 12.253,1066 15.679,1067 0.128,1068 24.992,1069 11.904,1070 2.498,1071 8.894,1072 21.81,1073 4.731,1074 13.388,1075 17.161,1077 27.446,1078 13.001,1079 2.207,1080 7.753,1081 23.712,1082 3.71,1083 14.583,1084 18.724,1085 0.077,1086 29.939,1087 14.159,1088 1.742,1089 6.515,1090 25.621,1091 3.202,1092 15.752,1093 20.245,1095 32.415,1096 15.291,1097 1.525,1098 4.817,1099 27.537,1100 2.913,1101 16.945,1102 21.8,1103 0.046,1104 34.905,1105 16.447,1106 1.225,1107 4.02,1108 29.458,1109 2.222,1110 18.131,1111 23.338,1113 37.39,1114 17.594,1115 3696,1116 6184,1117 15.027,1118 25.051,1119 35.147,1120 35.329,1121 36.944,1122 34.893,1123 34.92,1124 47.223,1125 1.529,1126 104.039,1127 33.521,1128 5.437,1129 5.375,1130 6.628,1131 5.373,1132 5.336,1133 7.731,1134 1.529,1135 19.548,1136 5.217,1137 11.017,1138 1.528,1139 1.536,1140 1.606,1141 1.517,1142 1.518,1143 2.053,1144 0.066,1145 4.523,1146 1.457,1147 4.134,1148 4.181,1149 4.115,1150 4.001,1151 6.457,1152 4.02,1153 3.858,1154 3.891,1155 3.796,1156 3.759,1157 5.255,1158 3.768,1159 3.577,1160 3.654,1161 3.445,1162 3.407,1163 4.879,1164 3.399,1165 3.278,1166 3.337,1167 3.168,1168 3.073,1169 4.677,1170 3.088,1171 3.146,1172 3.224,1173 3.008,1174 2.922,1175 4.471,1176 2.934,1177 2.997,1178 3.105,1179 2.874,1180 2.694,1181 4.073,1182 2.73,1183 2.874,1184 3.009,1185 2.628,1186 2.618,1187 3.711,1188 2.602,1189 2.771,1190 2.846,1191 2.499,1192 2.601,1193 3.64,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.759,1201 0.206,1202 3.375,1203 0.033,1204 7.039,1205 0.525,1206 4.3,1207 0.14,1208 3.336,1209 4.731,1210 0.765,1211 12.085,1212 3.217,1213 1.949,1214 1.926,1215 2.039,1216 2.042,1217 1.182,1218 2.035,1219 1.804,1220 1.756,1221 1.947,1222 1.994,1223 1.141,1224 1.981,1225 1.618,1226 1.553,1227 1.785,1228 1.818,1229 0.871,1230 1.82,1231 1.233,1232 1.181,1233 1.469,1234 1.487,1235 0.576,1236 1.479,1237 1.087,1238 1.022,1239 1.417,1240 1.371,1241 0.469,1242 1.352,1243 0.934,1244 0.804,1245 1.269,1246 1.239,1247 0.29,1248 1.308,1249 0.88,1250 0.784,1251 1.167,1252 1.211,1253 0.052,1254 1.206,1255 0.762,1256 0.674,1257 0.991,1258 1.063,1259 0.019,1260 1.057,1261 3.85,1263 5.187,1264 2.398,1265 6.732,1266 4.844,1267 8.374,1268 7.081,1269 10.067,1271 4.081,1275 6.025,1276 9.295,1277 -0.011,1281 0.163,1289 23.983,1290 59.721,1291 145.282,1292 169.911,1293 177.911,1294 177.911,1295 177.911,1296 30.346,1297 6.862,1298 89.85,1299 89.85,1300 17,1301 12.512,1302 4.087,1303 3.17,1304 31.842,1305 56,1306 63,1307 0.288,1308 149.951,1309 243.59,1310 357.641,1311 7210,1313 14.983,1314 0.713,1315 0.571,1316 14.983,1317 11.985,1318 10.113,1319 0.44,1320 0.296,1321 6.703,1322 9.707,1323 6.481,1324 5.431,1325 10.113,1326 6.804,1327 9.158,1328 0.278,1329 0.158,1330 9.158,1331 5.203,1332 7.8,1333 0.17,1334 0.074,1335 7.8,1336 3.39,1337 6.733,1338 0.105,1339 0.037,1340 6.733,1341 2.375,1342 5.588,1343 0.067,1344 0.02,1345 5.588,1346 1.622,1347 0.425,1348 63.53,1349 0.258,1350 20.1,1351 0.877,1352 112,1353 314.042,1354 122.875,1355 309.377,1356 432.46,1357 290,1358 135,1359 330.808,1360 146.959,1361 336.506,1362 495.91,1363 316,1364 4}
{0 CHEMBL1241583,1 1.471,2 8,3 2.34,4 5.475,5 86.85,6 7.694,7 0.667,8 3.741,9 3.878,10 3.34,11 3.289,12 4.942,13 3.277,14 4.235,15 4.424,16 3.696,17 3.662,18 5.318,19 3.631,20 4.438,21 4.645,22 3.775,23 3.786,24 5.541,25 3.745,26 4.545,27 4.782,28 3.794,29 3.816,30 5.662,31 3.759,32 4.472,33 4.69,34 3.657,35 3.774,36 5.566,37 3.707,38 4.42,39 4.632,40 3.581,41 3.713,42 5.56,43 3.635,44 4.496,45 4.768,46 3.287,47 3.612,48 5.531,49 3.47,50 4.32,51 4.643,52 2.916,53 3.324,54 5.234,55 3.136,56 0.046,57 0.624,58 7.17,59 2.969,60 11.538,61 4.02,62 0.134,63 0.961,64 13.307,65 5.039,66 18.839,67 7.089,68 0.16,69 1.142,70 16.911,71 5.629,72 24.673,73 8.137,74 0.288,75 1.217,76 20.079,77 6.564,78 35.704,79 9.595,80 0.189,81 1.141,82 17.857,83 5.701,84 30.982,85 8.271,86 0.136,87 1.081,88 16.647,89 5.622,90 29.59,91 8.126,92 0.255,93 1.036,94 20.376,95 6.279,96 45.557,97 9.42,98 0.212,99 0.777,100 18.942,101 6.045,102 37.166,103 9.305,104 22,105 34,106 0.261,107 0.677,108 0.792,109 0.83,110 0.83,111 0.83,112 3.148,113 0.883,114 -4.28,115 -4.22,116 -3.98,118 42.1,119 2,120 1,126 1,138 4,139 3,142 1,143 1,144 1,153 1,156 1,158 1,159 1,160 1,161 1,167 7,170 2,171 8,172 1,173 1,175 1,178 10,180 1,181 1,182 6,188 7,191 2,192 10,194 3,195 3,197 1,199 5,201 1,204 10,208 2,211 4,213 2,215 9,220 4,223 4,225 4,227 1,228 5,233 2,235 4,237 2,239 1,247 4,251 2,254 1,255 1,264 630,265 14.853,266 14.853,267 14.853,268 14.853,269 14.853,270 12.815,271 14.04,272 8.793,273 15.133,274 11.815,275 11.815,276 11.815,277 11.815,278 11.815,279 8.66,280 11.759,281 4.059,282 12.264,283 3.777,284 1.425,285 0.777,286 0.566,287 0.566,288 0.566,289 3.825,292 1,293 1,294 1,295 371,296 2.915,299 41.933,300 114.854,303 80.288,307 1.182,308 18.16,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 47,320 176,321 4.759,322 4.055,323 7.039,324 4.3,325 3.336,326 4.731,327 2.517,328 12.085,329 3.217,330 4.104,331 3.374,332 6.158,333 3.707,334 2.724,335 3.715,337 8.898,338 2.677,339 3.8,340 2.829,341 5.794,342 3.458,343 2.501,344 3.202,346 7.768,347 2.391,348 3.628,349 2.642,350 5.281,351 3.202,352 2.226,353 2.934,355 6.627,356 2.168,357 3.363,358 2.364,359 4.818,360 2.684,361 1.743,362 2.264,364 4.817,365 1.637,366 3.025,367 1.823,368 4.416,369 2.505,370 1.549,371 2.133,373 4.061,374 1.478,375 2.956,376 1.605,377 3.86,378 2.22,379 1.253,380 1.866,382 2.827,383 1.209,384 2.686,385 1.285,386 3.529,387 1.972,388 1,389 1.638,391 2.542,392 0.97,393 2.457,394 1.038,395 3.447,396 1.962,397 1,398 1.438,400 1.983,401 0.959,402 2.112,403 1,404 3.111,405 1.737,406 0.777,407 1.007,409 1.724,410 0.744,411 1.327,412 0.813,413 2.604,414 0.688,415 -0.276,416 -0.361,417 -0.487,418 -0.258,419 1.062,420 -0.151,421 2.417,422 0.627,423 -0.294,424 -0.434,425 -0.67,426 -0.278,427 0.821,428 -0.379,429 2.252,430 0.363,431 -0.608,432 -0.838,433 -1.575,434 -0.59,435 0.569,436 -0.626,437 2,438 0.067,439 -0.871,440 -1,441 -2,442 -0.814,443 0.519,444 -0.814,445 2,447 -1,448 -1.157,449 -2.211,450 -0.983,451 10.4,452 0.473,453 0.559,454 0.025,455 31.75,456 1.443,457 17.5,458 0.795,459 14.25,460 0.648,461 15.778,462 0.717,463 22.6,464 0.595,465 21.526,466 0.978,467 6.052,468 0.275,469 4.561,470 0.207,471 0.173,473 0.375,478 0.83,479 1.222,480 0.764,481 1.011,482 0.71,483 0.901,484 0.697,485 1.05,486 0.709,487 0.921,488 0.472,489 0.835,490 1.141,491 1.158,492 0.936,493 0.979,494 0.828,495 0.936,496 0.899,497 0.903,498 0.87,499 0.876,500 0.646,501 0.87,502 1.383,503 1.104,504 1.19,505 1.052,506 1.035,507 1.085,508 1.24,509 1.293,510 1.228,511 1.262,512 1.027,513 1.247,514 1.235,515 0.958,516 1.282,517 1.107,518 1.096,519 1.184,520 0.745,521 0.74,522 0.899,523 0.872,524 0.797,525 0.902,526 4,527 0.012,528 2.444,529 1.979,530 1.656,531 0.806,532 0.518,533 0.299,534 0.179,535 0.066,536 4237,537 11966,538 2.043,539 42.1,541 5,543 1,544 2,545 2,546 6,549 1.653,550 1.886,551 2.985,552 0.348,553 1,554 1,556 1,558 55.911,559 1.471,560 3.823,561 4.471,562 4.682,563 4.682,564 4.682,565 2.461,566 4.187,567 4.428,568 3.104,569 717.098,570 7.648,571 7625.48,572 1,573 1,575 1,576 199.421,577 1.495,578 4.376,579 0.167,580 0.004,581 0.072,582 0.055,583 0.046,584 0.026,585 0.018,586 0.016,587 0.014,588 0.009,589 0.427,590 0.5,591 1,592 1.167,593 98.675,594 0.028,595 -0.056,596 0.044,597 -0.009,598 -0.038,599 0.015,600 0.205,601 0.023,602 0.18,603 0.074,604 0.075,605 0.114,606 -0.114,607 -0.095,608 -0.018,609 -0.021,610 -0.072,611 -0.008,612 0.157,613 0.11,614 0.097,615 0.078,616 0.095,617 0.079,618 -0.327,619 -0.052,620 -0.262,621 -0.106,622 -0.153,623 -0.162,624 -0.252,625 -0.253,626 -0.311,627 -0.303,628 -0.13,629 -0.314,630 -0.213,631 -0.027,632 -0.273,633 -0.151,634 -0.159,635 -0.208,636 0.1,637 0.049,638 0.186,639 0.142,640 0.111,641 0.171,642 1.252,643 2.864,644 0.682,645 15.545,646 1.001,647 1.133,648 3.051,649 9.306,650 0.68,651 3.219,652 3.555,653 3.871,654 4.205,655 4.454,656 4.575,657 4.654,658 4.727,659 4.673,660 4.625,661 4.868,662 0.652,663 292.38,664 3.219,665 4.762,666 5.631,667 6.535,668 7.434,669 8.35,670 9.261,671 10.182,672 11.098,673 12.021,674 15.8,678 1,682 1,683 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,708 1,716 38,718 17,719 1,720 24,722 40,723 16,724 11,725 2,726 4,728 3,729 4,732 2,738 2,739 1,740 11,741 4,756 1,757 1,760 16,761 5,762 2,763 6,769 6,775 0.667,785 1,788 1,793 1,794 2,797 1,803 1,819 2,823 2,827 22,828 1,833 1,837 1,842 1,846 1,848 1,858 11.667,859 7.583,860 4.917,861 2.296,863 3.359,864 1.483,865 0.984,866 3.685,867 10.319,868 3.555,869 4.186,870 4.859,871 5.558,872 6.135,873 6.538,874 6.978,875 7.415,876 7.653,877 7.958,878 1,879 36,880 8.052,881 3.372,882 7.788,883 15.26,884 12.336,885 2.288,886 50.333,890 164.795,891 99.054,892 115.967,897 99.054,898 164.795,899 115.967,900 17.65,901 2.535,902 70.802,903 80.322,904 53.155,905 2.328,906 153.024,908 164.795,909 215.022,913 94.169,914 70.627,917 66.112,918 98.676,919 50.234,921 164.795,922 115.967,923 99.054,926 164.795,927 18.279,928 65.951,929 16.602,930 114.191,931 164.795,932 115.967,933 99.054,935 0.576,936 0.345,937 0.203,938 0.117,939 17,940 8,941 0.075,942 3,943 1,944 1.133,945 3.284,946 179.03,947 0.133,948 15,949 96.107,954 14.344,955 5.652,956 2.52,957 1.48,958 114.191,959 9.215,960 13.083,964 3.028,965 1.847,966 32.897,967 379.817,968 34,980 38.029,981 43.066,983 0.28,984 0.729,985 0.852,986 0.892,987 0.892,988 0.892,989 4.796,990 1,991 5.631,992 2.827,993 4.234,994 4.871,995 2.615,996 6.5,997 4.164,998 6.038,999 1,1000 7.223,1001 2.542,1002 3.892,1003 4.745,1005 7.532,1006 3.793,1007 7.366,1008 0.777,1009 8.921,1010 1.983,1011 5.866,1012 7.173,1013 4.398,1014 10.693,1015 5.732,1016 8.734,1017 -0.276,1018 10.683,1019 1.724,1020 6.365,1021 7.939,1023 12.593,1024 6.197,1025 10.137,1026 -0.294,1027 12.485,1028 -0.487,1029 7.831,1030 9.828,1031 6.233,1032 15.288,1033 7.631,1034 11.566,1035 -0.608,1036 14.315,1037 -0.67,1038 8.712,1039 11.021,1041 17.542,1042 8.476,1043 13.018,1044 -0.871,1045 16.168,1046 -1.575,1047 9.989,1048 12.697,1049 8.077,1050 20.091,1051 9.72,1052 3.336,1053 -1,1054 18.037,1055 -2,1056 11.045,1057 14.089,1059 22.488,1060 10.737,1061 2.724,1062 12.085,1063 19.919,1064 -2.211,1065 12.258,1066 15.681,1067 9.923,1068 24.993,1069 11.915,1070 2.501,1071 8.898,1072 21.812,1073 4.731,1074 13.391,1075 17.163,1077 27.446,1078 13.009,1079 2.226,1080 7.768,1081 23.714,1082 3.715,1083 14.586,1084 18.726,1085 11.769,1086 29.939,1087 14.167,1088 1.743,1089 6.627,1090 25.623,1091 3.202,1092 15.754,1093 20.246,1095 32.415,1096 15.297,1097 1.549,1098 4.817,1099 27.538,1100 2.934,1101 16.947,1102 21.8,1103 13.615,1104 34.906,1105 16.453,1106 1.253,1107 4.061,1108 29.459,1109 2.264,1110 18.133,1111 23.338,1113 37.39,1114 17.6,1115 4264,1116 7265,1117 15.72,1118 25.841,1119 37.443,1120 39.643,1121 38.242,1122 36.243,1123 36.219,1124 49.856,1125 5.034,1126 106.664,1127 34.901,1128 5.448,1129 6.055,1130 6.809,1131 5.373,1132 5.336,1133 7.731,1134 5.034,1135 19.549,1136 5.217,1137 11.496,1138 1.56,1139 1.652,1140 1.593,1141 1.51,1142 1.509,1143 2.077,1144 0.21,1145 4.444,1146 1.454,1147 4.134,1148 4.181,1149 4.116,1150 4.004,1151 6.818,1152 4.023,1153 3.867,1154 3.903,1155 3.808,1156 3.771,1157 5.256,1158 3.78,1159 3.577,1160 3.655,1161 3.445,1162 3.408,1163 4.881,1164 3.401,1165 3.401,1166 3.46,1167 3.333,1168 3.251,1169 4.688,1170 3.262,1171 3.18,1172 3.267,1173 3.085,1174 2.96,1175 4.474,1176 2.985,1177 2.999,1178 3.109,1179 2.878,1180 2.694,1181 4.075,1182 2.73,1183 2.874,1184 3.009,1185 2.672,1186 2.643,1187 3.735,1188 2.646,1189 2.794,1190 2.865,1191 2.616,1192 2.618,1193 3.708,1194 2.572,1195 0.198,1196 0.169,1197 0.293,1198 0.179,1199 0.139,1200 4.759,1201 0.197,1202 4.055,1203 0.105,1204 7.039,1205 0.504,1206 4.3,1207 0.134,1208 3.336,1209 4.731,1210 2.517,1211 12.085,1212 3.217,1213 1.956,1214 1.933,1215 2.047,1216 2.044,1217 1.193,1218 2.039,1219 1.807,1220 1.759,1221 1.947,1222 1.996,1223 1.142,1224 1.983,1225 1.623,1226 1.558,1227 1.788,1228 1.821,1229 0.882,1230 1.823,1231 1.368,1232 1.313,1233 1.55,1234 1.548,1235 0.631,1236 1.55,1237 1.121,1238 1.056,1239 1.417,1240 1.385,1241 0.469,1242 1.362,1243 0.934,1244 0.804,1245 1.271,1246 1.239,1247 0.291,1248 1.308,1249 0.88,1250 0.784,1251 1.167,1252 1.214,1253 0.056,1254 1.207,1255 0.767,1256 0.701,1257 0.992,1258 1.063,1259 0.024,1260 1.057,1261 3.892,1263 5.22,1264 2.398,1265 6.756,1266 4.844,1267 8.391,1268 7.081,1269 10.082,1271 4.085,1275 6.048,1277 0.364,1281 0.16,1287 8.864,1288 2.16,1289 24.762,1290 55.911,1291 145.282,1292 169.911,1293 177.911,1294 177.911,1295 177.911,1296 32.26,1297 6.959,1298 93.41,1299 93.41,1300 17,1301 12.529,1302 4.17,1303 3.459,1304 34.171,1305 62,1306 78,1307 0.276,1308 156.487,1309 257.82,1310 373.588,1311 8272,1313 15.69,1314 0.713,1315 0.567,1316 15.69,1317 12.485,1318 10.613,1319 0.442,1320 0.294,1321 6.978,1322 10.242,1323 6.737,1324 5.652,1325 10.613,1326 7.064,1327 9.538,1328 0.281,1329 0.158,1330 9.538,1331 5.38,1332 7.919,1333 0.168,1334 0.074,1335 7.919,1336 3.491,1337 7.033,1338 0.107,1339 0.038,1340 7.033,1341 2.477,1342 5.746,1343 0.068,1344 0.02,1345 5.746,1346 1.681,1347 0.412,1348 66.177,1349 0.252,1350 21.076,1351 0.825,1352 116,1353 325.538,1354 126.13,1355 328.133,1356 456.1,1357 306,1358 139,1359 348.701,1360 150.129,1361 355.901,1362 518.89,1363 334,1364 4.886}
{0 CHEMBL1241586,1 1.646,2 8.043,3 1.289,4 1.662,5 86.938,6 8.141,7 0.615,8 3.791,9 3.93,10 3.434,11 3.277,12 4.983,13 3.299,14 4.293,15 4.468,16 3.852,17 3.685,18 5.489,19 3.691,20 4.486,21 4.683,22 3.868,23 3.784,24 5.637,25 3.777,26 4.551,27 4.778,28 3.837,29 3.795,30 5.69,31 3.76,32 4.476,33 4.69,34 3.676,35 3.722,36 5.581,37 3.674,38 4.386,39 4.586,40 3.627,41 3.658,42 5.524,43 3.605,44 4.493,45 4.757,46 3.438,47 3.575,48 5.566,49 3.471,50 4.336,51 4.644,52 3.19,53 3.272,54 5.3,55 3.156,56 0.109,57 0.667,58 6.848,59 2.655,60 9.761,61 3.499,62 0.303,63 1.033,64 12.987,65 4.743,66 25.432,67 6.591,68 0.325,69 1.168,70 16.885,71 5.271,72 29.355,73 7.374,74 0.395,75 1.194,76 19.235,77 6.058,78 36.118,79 8.754,80 0.352,81 1.082,82 17.443,83 5.504,84 35.43,85 7.693,86 0.261,87 1.032,88 14.88,89 5.205,90 27.818,91 7.306,92 0.445,93 0.987,94 19.893,95 5.837,96 47.316,97 8.802,98 0.39,99 0.738,100 19.629,101 5.454,102 34.867,103 8.667,104 18,105 39,106 0.292,107 0.704,108 0.789,109 0.82,110 0.83,111 0.839,112 3.19,113 0.837,114 -3.6,115 -3.57,116 -3.41,118 39.5,119 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,154 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 3,174 1,175 3,178 4,180 1,181 1,182 5,186 4,188 3,191 2,192 9,194 3,195 3,197 3,199 3,201 1,204 7,206 1,208 3,211 2,213 2,215 4,218 2,220 4,223 4,225 3,227 1,228 1,231 3,232 1,234 1,235 2,239 1,243 2,244 1,245 2,246 1,251 2,254 1,255 1,257 2,264 675,265 15.378,266 15.378,267 15.378,268 15.378,269 15.378,270 13.392,271 19.165,272 8.745,273 15.73,274 12.838,275 12.838,276 12.838,277 12.838,278 12.838,279 9.678,280 22.901,281 4.141,282 13.399,283 3.602,284 1.274,285 0.796,286 0.619,287 0.566,288 0.513,289 3.883,293 1,294 1,295 406,296 2.739,299 86.914,300 100.805,303 157.005,307 1.18,308 22.169,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 50.5,320 185,321 4.761,322 3.616,323 7.039,324 4.304,325 3.34,326 4.732,327 1.656,328 12.088,329 3.222,330 4.331,331 3.372,332 6.293,333 3.957,334 2.992,335 3.959,336 0.247,337 9.591,338 2.882,339 3.854,340 2.854,341 6.097,342 3.534,343 2.575,344 3.242,346 8.653,347 2.466,348 3.753,349 2.654,350 5.724,351 3.366,352 2.405,353 3.159,355 7.504,356 2.306,357 3.358,358 2.383,359 4.829,360 2.915,361 1.917,362 2.576,364 5.334,365 1.895,366 3.027,367 1.821,368 4.808,369 2.682,370 1.741,371 2.207,373 4.818,374 1.635,375 2.967,376 1.708,377 4.517,378 2.492,379 1.534,380 2.12,382 4.435,383 1.468,384 2.874,385 1.525,386 4.353,387 2.427,388 1.471,389 2.006,391 3.952,392 1.398,393 2.522,394 1.084,395 3.86,396 2.008,397 1.06,398 1.53,400 2.758,401 1.002,402 2.129,403 0.866,404 3.492,405 1.782,406 0.818,407 1.036,409 2.059,410 0.787,411 1.632,412 0.588,413 3.162,414 1.344,415 0.397,416 0.475,417 1.055,418 0.375,419 1.062,420 0.545,421 2.685,422 0.635,423 -0.285,424 -0.362,425 -0.67,426 -0.261,427 1,428 -0.152,429 2.425,430 0.528,431 -0.482,432 -0.655,433 -1.278,434 -0.479,435 0.722,436 -0.54,437 2.262,438 0.276,439 -0.718,440 -0.987,441 -1.979,442 -0.704,443 0.549,444 -0.789,445 2.229,446 0.063,447 -0.883,448 -1,449 -2,450 -0.833,451 10.633,452 0.462,453 0.716,454 0.031,455 33.25,456 1.446,457 17,458 0.739,459 16.25,460 0.707,461 16.39,462 0.713,463 24.167,464 0.636,465 23.207,466 1.009,467 6.352,468 0.276,469 4.69,470 0.204,471 0.163,473 0.461,478 0.882,479 1.337,480 0.724,481 0.986,482 0.756,483 0.838,484 0.531,485 1.102,486 0.622,487 0.911,488 0.457,489 0.803,490 1.154,491 1.196,492 0.946,493 0.972,494 0.953,495 0.921,496 0.808,497 0.945,498 0.901,499 0.938,500 0.617,501 0.928,502 1.172,503 1.051,504 1.16,505 1.059,506 1.022,507 1.094,508 0.903,509 1.319,510 1.159,511 1.339,512 0.854,513 1.304,514 0.802,515 0.899,516 1.159,517 1.108,518 0.85,519 1.18,520 0.617,521 0.798,522 0.76,523 0.895,524 0.7,525 0.863,526 5,527 0.012,528 2.889,529 2.458,530 1.762,531 0.851,532 0.54,533 0.345,534 0.285,535 0.119,536 5194,537 15082,538 2.115,539 39.5,541 4,543 1,544 4,546 6,549 1.663,550 1.944,551 3.011,552 1.908,553 1,554 1,556 1,558 62.563,559 1.646,560 3.974,561 4.451,562 4.629,563 4.682,564 4.735,565 2.442,566 4.35,567 4.497,568 3.132,569 792.445,570 7.772,571 8611.62,572 1,573 1,576 199.421,577 1.491,578 4.44,579 0.192,580 0.004,581 0.074,582 0.063,583 0.048,584 0.027,585 0.019,586 0.016,587 0.017,588 0.012,589 0.472,590 0.33,591 1,592 0.832,593 104.632,594 -0.106,595 -0.115,596 0.033,597 0.012,598 -0.144,599 0.047,600 0.291,601 0.026,602 0.221,603 0.085,604 0.182,605 0.126,606 -0.206,607 -0.126,608 -0.051,609 -0.004,610 -0.099,611 0.004,612 0.028,613 0.079,614 0.037,615 0.03,616 0.058,617 0.035,618 -0.243,619 -0.026,620 -0.237,621 -0.082,622 -0.13,623 -0.142,624 -0.109,625 -0.261,626 -0.281,627 -0.35,628 -0.118,629 -0.354,630 0.058,631 0.028,632 -0.145,633 -0.151,634 -0.069,635 -0.181,636 0.291,637 -0.026,638 0.378,639 0.094,640 0.165,641 0.228,642 1.905,643 4.426,644 0.783,645 15.898,646 1.015,647 1.141,648 2.374,649 5.634,650 0.672,651 3.296,652 3.689,653 4.025,654 4.382,655 4.625,656 4.762,657 4.905,658 5.075,659 5.112,660 5.198,661 4.958,662 0.657,663 309.37,664 3.296,665 4.875,666 5.765,667 6.688,668 7.6,669 8.528,670 9.447,671 10.376,672 11.299,673 12.228,674 18.4,678 1,681 2,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,716 38,718 17,719 1,720 26,722 41,723 15,724 11,725 3,726 3,728 4,729 6,731 1,732 2,738 1,740 12,741 3,744 1,749 1,753 1,756 1,757 1,760 15,761 7,762 4,763 8,769 7,775 0.5,776 1,785 1,788 1,793 2,794 2,797 2,819 2,823 2,827 23,828 1,834 2,837 1,850 2.6,853 1,858 11.833,859 7.467,860 4.861,861 2.239,863 3.336,864 1.446,865 1.037,866 3.078,867 10.813,868 3.584,869 4.273,870 4.948,871 5.647,872 6.23,873 6.646,874 7.113,875 7.595,876 7.888,877 8.246,878 1,879 39,880 8.445,881 3.699,882 7.833,883 15.887,884 13.282,885 2.333,886 53.667,890 129.482,891 77.046,892 120.929,894 25.145,897 77.046,898 154.627,899 120.929,900 17.65,901 36.022,902 61.326,903 88.865,904 24.424,905 6.604,906 117.711,908 129.482,909 197.975,910 25.145,913 58.856,914 95.772,917 68.539,918 79.202,919 50.234,921 129.482,922 146.074,923 77.046,926 129.482,927 22.348,928 56.474,929 36.022,930 108.276,931 129.482,932 146.074,933 77.046,935 0.6,936 0.358,937 0.208,938 0.117,939 22,940 10,941 0.049,942 2,943 2,944 1.222,945 3.409,946 201.072,947 0.222,948 18,949 102.042,954 14.121,955 5.013,956 2.168,957 1.42,958 144.298,959 7.036,960 13.069,964 3.402,965 1.826,966 68.919,967 352.602,968 35,973 11.426,977 -0.238,980 38.574,981 43.358,983 0.314,984 0.757,985 0.848,986 0.882,987 0.892,988 0.902,989 4.852,990 1.471,991 5.79,992 4.435,993 4.369,994 4.959,995 1.758,996 6.681,997 4.289,998 6.103,999 1.06,1000 7.398,1001 3.952,1002 4.111,1003 4.945,1004 1.195,1005 7.716,1006 4.008,1007 7.447,1008 0.818,1009 9.105,1010 2.758,1011 6.038,1012 7.274,1013 2.415,1014 10.87,1015 5.882,1016 8.829,1017 0.397,1018 10.869,1019 2.059,1020 6.581,1021 8.092,1022 2.324,1023 12.75,1024 6.397,1025 10.245,1026 -0.285,1027 12.669,1028 1.055,1029 8.023,1030 9.931,1031 3.244,1032 15.435,1033 7.796,1034 11.685,1035 -0.482,1036 14.496,1037 -0.67,1038 8.923,1039 11.141,1040 3.407,1041 17.666,1042 8.663,1043 13.145,1044 -0.718,1045 16.343,1046 -1.278,1047 10.188,1048 12.791,1049 4.156,1050 20.201,1051 9.89,1052 3.34,1053 -0.883,1054 18.205,1055 -1.979,1056 11.247,1057 14.183,1058 4.464,1059 22.579,1060 10.915,1061 2.992,1062 12.088,1063 20.08,1064 -2,1065 12.451,1066 15.761,1067 5.111,1068 25.07,1069 12.082,1070 2.575,1071 9.591,1072 21.965,1073 4.732,1074 13.58,1075 17.238,1076 5.504,1077 27.509,1078 13.176,1079 2.405,1080 8.653,1081 23.858,1082 3.959,1083 14.765,1084 18.791,1085 6.091,1086 29.992,1087 14.326,1088 1.917,1089 7.504,1090 25.759,1091 3.242,1092 15.926,1093 20.305,1094 6.531,1095 32.458,1096 15.451,1097 1.741,1098 5.334,1099 27.665,1100 3.159,1101 17.11,1102 21.852,1103 7.083,1104 34.941,1105 16.599,1106 1.534,1107 4.818,1108 29.577,1109 2.576,1110 18.286,1111 23.385,1112 7.551,1113 37.42,1114 17.74,1115 4968,1116 8602,1117 17.224,1118 25.54,1119 40.797,1120 41.603,1121 42.351,1122 40.467,1123 40.504,1124 54.084,1125 3.806,1126 124.49,1127 38.873,1128 5.583,1129 5.616,1130 6.567,1131 5.377,1132 5.34,1133 7.732,1134 2.912,1135 19.557,1136 5.222,1137 11.774,1138 1.569,1139 1.6,1140 1.629,1141 1.556,1142 1.558,1143 2.08,1144 0.146,1145 4.788,1146 1.495,1147 4.14,1148 4.186,1149 4.122,1150 4.005,1151 7.431,1152 4.026,1153 3.921,1154 3.964,1155 3.884,1156 3.777,1157 5.256,1158 3.799,1159 3.578,1160 3.655,1161 3.445,1162 3.408,1163 4.885,1164 3.401,1165 3.408,1166 3.454,1167 3.357,1168 3.167,1169 4.728,1170 3.212,1171 3.143,1172 3.23,1173 3.044,1174 2.891,1175 4.488,1176 2.922,1177 2.991,1178 3.097,1179 2.872,1180 2.716,1181 4.108,1182 2.735,1183 2.874,1184 3.009,1185 2.733,1186 2.663,1187 3.936,1188 2.685,1189 2.862,1190 2.94,1191 2.525,1192 2.618,1193 3.74,1194 2.57,1195 0.183,1196 0.139,1197 0.271,1198 0.166,1199 0.128,1200 4.761,1201 0.182,1202 3.616,1203 0.064,1204 7.039,1205 0.465,1206 4.304,1207 0.124,1208 3.34,1209 4.732,1210 1.656,1211 12.088,1212 3.222,1213 1.926,1214 1.903,1215 1.992,1216 2.036,1217 1.158,1218 2.017,1219 1.795,1220 1.745,1221 1.944,1222 1.975,1223 1.125,1224 1.967,1225 1.61,1226 1.545,1227 1.769,1228 1.807,1229 0.842,1230 1.808,1231 1.272,1232 1.224,1233 1.417,1234 1.629,1235 0.469,1236 1.56,1237 1.14,1238 1.079,1239 1.395,1240 1.406,1241 0.334,1242 1.375,1243 0.934,1244 0.804,1245 1.254,1246 1.239,1247 0.27,1248 1.308,1249 0.886,1250 0.794,1251 1.145,1252 1.231,1253 0.071,1254 1.215,1255 0.808,1256 0.745,1257 1.069,1258 1.082,1259 0.033,1260 1.073,1261 3.97,1263 5.342,1264 3.045,1265 6.903,1266 5.476,1267 8.554,1268 7.644,1269 10.254,1271 4.058,1275 6.056,1278 5.476,1281 0.136,1289 24.972,1290 62.563,1291 151.015,1292 169.157,1293 175.911,1294 177.911,1295 179.911,1296 31.359,1297 7.477,1298 118.27,1299 118.27,1300 22,1301 12.731,1302 4.17,1303 3.322,1304 31.654,1305 67,1306 72,1307 0.236,1308 153.219,1309 250.59,1310 365.615,1311 16191,1313 16.137,1314 0.702,1315 0.55,1316 16.137,1317 12.661,1318 11.042,1319 0.425,1320 0.279,1321 7.129,1322 10.524,1323 6.938,1324 5.777,1325 11.042,1326 7.255,1327 10.627,1328 0.272,1329 0.146,1330 10.627,1331 5.684,1332 8.989,1333 0.163,1334 0.069,1335 8.989,1336 3.797,1337 8.122,1338 0.103,1339 0.035,1340 8.122,1341 2.737,1342 6.66,1343 0.066,1344 0.018,1345 6.66,1346 1.846,1347 0.353,1348 69.787,1349 0.241,1350 21.874,1351 0.699,1352 130,1353 384.294,1354 145.924,1355 376.926,1356 529.23,1357 352,1358 159,1359 414.436,1360 175.315,1361 417.226,1362 617.58,1363 393,1364 4.77}
{0 CHEMBL1241587,1 1.565,2 7.364,3 2.484,4 6.172,5 86.335,6 7.574,7 0.64,8 3.798,9 3.925,10 3.395,11 3.314,12 4.901,13 3.311,14 4.334,15 4.512,16 3.792,17 3.717,18 5.38,19 3.704,20 4.514,21 4.718,22 3.814,23 3.811,24 5.544,25 3.776,26 4.553,27 4.776,28 3.781,29 3.819,30 5.608,31 3.761,32 4.497,33 4.726,34 3.606,35 3.761,36 5.454,37 3.678,38 4.422,39 4.631,40 3.591,41 3.696,42 5.48,43 3.622,44 4.515,45 4.777,46 3.348,47 3.616,48 5.446,49 3.49,50 4.372,51 4.678,52 3.041,53 3.344,54 5.194,55 3.172,56 0.054,57 0.633,58 7.913,59 3.257,60 8.482,61 4.335,62 0.191,63 1.005,64 15.32,65 5.581,66 18.613,67 7.621,68 0.231,69 1.161,70 19.152,71 6.23,72 22.311,73 8.911,74 0.328,75 1.205,76 20.299,77 6.618,78 32.406,79 9.561,80 0.204,81 1.12,82 19.055,83 6.189,84 22.941,85 9.198,86 0.193,87 1.049,88 17.166,89 5.776,90 25.908,91 8.478,92 0.302,93 1.024,94 20.86,95 6.272,96 34.006,97 9.498,98 0.349,99 0.775,100 19.795,101 6.171,102 32.632,103 9.495,104 11,105 37,106 0.277,107 0.678,108 0.808,109 0.83,110 0.83,111 0.83,112 3.149,113 0.888,114 -4.63,115 -4.55,116 -4.28,118 41,119 2,120 1,124 1,126 1,138 3,139 3,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 10,172 1,173 1,175 1,178 7,180 1,181 1,182 7,188 6,191 2,192 9,194 3,195 3,197 1,199 5,201 1,204 7,208 2,211 3,213 2,214 1,215 8,220 4,223 4,225 4,227 1,228 2,233 1,235 4,237 1,239 2,242 1,243 1,247 2,252 2,264 596,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 13.099,271 15.546,272 8.559,273 15.322,274 12.338,275 12.338,276 12.338,277 12.338,278 12.338,279 9.428,280 13.41,281 4.022,282 12.961,283 3.72,284 1.457,285 0.725,286 0.603,287 0.603,288 0.603,289 3.844,292 1,293 1,294 1,295 358,296 2.646,299 81.99,300 94.212,303 147.247,307 1.091,308 17.37,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 47.5,320 162,321 4.76,322 3.383,323 7.039,324 4.303,325 3.339,326 4.732,327 0.86,328 12.088,329 3.221,330 4.284,331 3.205,332 6.253,333 3.897,334 2.93,335 3.929,337 9.393,338 2.833,339 3.828,340 2.689,341 6.073,342 3.511,343 2.557,344 3.222,346 8.572,347 2.436,348 3.716,349 2.462,350 5.713,351 3.326,352 2.37,353 3.122,355 7.457,356 2.264,357 3.037,358 1.901,359 4.82,360 2.684,361 1.743,362 2.268,364 4.819,365 1.637,366 2.996,367 1.82,368 4.518,369 2.52,370 1.55,371 2.129,373 4.378,374 1.505,375 2.885,376 1.641,377 4.333,378 2.475,379 1.533,380 2.023,382 4.044,383 1.432,384 2.541,385 1.403,386 3.864,387 2.072,388 1.153,389 1.558,391 2.795,392 1.053,393 2.197,394 1.055,395 3.509,396 1.949,397 1,398 1.165,400 2.398,401 0.942,402 2.107,403 0.853,404 3.419,405 1.767,406 0.806,407 1.016,409 2.014,410 0.772,411 1.629,412 0.619,413 3.036,414 1.34,415 0.396,416 0.473,417 0.984,418 0.372,419 1.06,420 -0.147,421 2.652,422 0.627,423 -0.288,424 -0.365,425 -0.673,426 -0.263,427 0.783,428 -0.437,429 2.424,430 0.373,431 -0.59,432 -0.767,433 -1.644,434 -0.564,435 0.599,436 -0.762,437 2.259,438 0.114,439 -0.841,440 -1,441 -2,442 -0.787,443 0.434,444 -0.834,445 2.206,446 0.038,447 -0.922,448 -1.138,449 -2.365,450 -0.897,451 10.333,452 0.47,453 0.61,454 0.028,455 30,456 1.364,457 15,458 0.682,459 15,460 0.682,461 16.946,462 0.77,463 23.267,464 0.597,465 19.796,466 0.9,467 5.62,468 0.255,469 5.027,470 0.229,471 0.135,473 0.426,478 0.875,479 1.269,480 0.757,481 1.066,482 1.045,483 0.919,484 0.995,485 1.04,486 0.729,487 0.894,488 0.703,489 0.797,490 1.177,491 1.152,492 0.925,493 0.947,494 0.876,495 0.905,496 0.913,497 0.953,498 0.972,499 0.939,500 0.962,501 0.957,502 0.954,503 1.12,504 1.121,505 1.071,506 0.959,507 1.096,508 0.897,509 1.302,510 1.134,511 1.238,512 1.15,513 1.215,514 1.049,515 1.003,516 1.235,517 1.11,518 1.548,519 1.171,520 0.607,521 0.759,522 0.878,523 0.915,524 0.741,525 0.935,526 4,528 2.889,529 1.986,530 1.682,531 0.747,532 0.484,533 0.336,534 0.173,535 0.056,536 4631,537 11426,538 2.148,539 43.6,541 6,543 1,544 2,546 8,549 1.652,550 2,551 2.918,552 0.348,553 1,554 1,556 1,558 61.034,559 1.565,560 3.829,561 4.561,562 4.683,563 4.683,564 4.683,565 2.244,566 4.096,567 4.433,568 3.039,569 701.894,570 7.649,571 7411.73,572 1,573 1,575 1,576 206.131,577 1.437,578 4.388,579 0.16,581 0.078,582 0.054,583 0.048,584 0.026,585 0.017,586 0.017,587 0.012,588 0.009,589 0.421,590 0.5,591 1,592 0.797,593 98.122,594 0.006,595 -0.074,596 0.069,597 -0.034,598 -0.136,599 0.019,600 0.063,601 0.049,602 0.183,603 0.107,604 0.149,605 0.15,606 -0.129,607 -0.093,608 0.013,609 0.02,610 0.013,611 0.034,612 0.033,613 0.109,614 -0.028,615 0.011,616 0.05,617 -0.019,618 -0.183,619 -0.068,620 -0.195,621 -0.107,622 -0.122,623 -0.14,624 -0.06,625 -0.237,626 -0.221,627 -0.268,628 -0.08,629 -0.267,630 -0.115,631 -0.038,632 -0.246,633 -0.171,634 -0.375,635 -0.211,636 0.315,637 0.052,638 0.18,639 0.062,640 0.233,641 0.099,642 1.205,643 2.092,644 0.818,645 14.281,646 1.004,647 1.133,648 3.396,649 11.533,650 0.668,651 3.258,652 3.638,653 3.989,654 4.331,655 4.564,656 4.718,657 4.844,658 4.997,659 5.011,660 5.063,661 4.727,662 0.641,663 295.38,664 3.258,665 4.828,666 5.72,667 6.637,668 7.55,669 8.473,670 9.393,671 10.318,672 11.241,673 12.168,674 12.8,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 1,716 39,718 16,719 1,720 25,722 42,723 16,724 11,725 3,726 3,728 4,729 6,732 2,735 1,738 2,740 11,741 5,756 1,757 1,760 17,761 5,762 2,763 6,769 5,775 0.5,776 1,785 1,788 1,793 2,794 2,797 2,819 2,823 2,827 22,828 1,833 2,835 1,837 1,850 2.6,855 1,858 11,859 7.717,860 4.694,861 2.447,863 3.221,864 1.438,865 1.022,866 3.047,867 10.579,868 3.526,869 4.216,870 4.919,871 5.604,872 6.182,873 6.605,874 7.056,875 7.521,876 7.796,877 8.117,878 0.8,879 37,880 8.101,881 3.504,882 7.614,883 15.638,884 13.179,885 2.114,886 46.5,890 176.567,891 82.812,892 84.908,894 11,897 82.812,898 187.566,899 84.908,900 17.65,901 7.127,902 61.326,903 63.72,904 38.339,905 2.328,906 164.795,908 176.567,909 167.72,910 11,913 82.398,914 105.169,917 39.645,918 77.841,919 50.234,921 176.567,922 95.908,923 82.812,926 176.567,927 28.114,928 56.474,930 94.131,931 176.567,932 95.908,933 82.812,935 0.595,936 0.361,937 0.208,938 0.113,939 21,940 9,941 0.048,942 2,943 2,944 1.222,945 3.351,946 189.252,947 0.222,948 18,949 96.107,954 13.527,955 4.956,956 2.082,957 1.587,958 94.131,959 7.626,960 13.233,964 4.482,965 1.895,966 32.897,967 355.286,968 33,980 39.138,981 44.192,983 0.296,984 0.724,985 0.863,986 0.886,987 0.886,988 0.886,989 4.787,990 1.153,991 5.733,992 4.044,993 4.317,994 4.902,995 0.908,996 6.621,997 4.228,998 6.028,999 1,1000 7.339,1001 2.795,1002 4.007,1003 4.856,1005 7.667,1006 3.895,1007 7.369,1008 0.806,1009 9.047,1010 2.398,1011 5.979,1012 7.228,1013 0.739,1014 10.823,1015 5.817,1016 8.753,1017 0.396,1018 10.814,1019 2.014,1020 6.509,1021 8.048,1023 12.718,1024 6.32,1025 10.172,1026 -0.288,1027 12.62,1028 0.984,1029 7.965,1030 9.902,1031 0.593,1032 15.4,1033 7.736,1034 11.618,1035 -0.59,1036 14.452,1037 -0.673,1038 8.862,1039 11.115,1041 17.638,1042 8.602,1043 13.083,1044 -0.841,1045 16.304,1046 -1.644,1047 10.131,1048 12.771,1049 0.469,1050 20.174,1051 9.836,1052 3.339,1053 -0.922,1054 18.171,1055 -2,1056 11.189,1057 14.166,1059 22.556,1060 10.861,1061 2.93,1062 12.088,1063 20.049,1064 -2.365,1065 12.395,1066 15.747,1067 0.366,1068 25.05,1069 12.032,1070 2.557,1071 9.393,1072 21.937,1073 4.732,1074 13.524,1075 17.225,1077 27.492,1078 13.126,1079 2.37,1080 8.572,1081 23.832,1082 3.929,1083 14.711,1084 18.78,1085 0.283,1086 29.977,1087 14.279,1088 1.743,1089 7.457,1090 25.735,1091 3.222,1092 15.873,1093 20.295,1095 32.445,1096 15.405,1097 1.55,1098 4.819,1099 27.643,1100 3.122,1101 17.058,1102 21.843,1103 0.217,1104 34.93,1105 16.556,1106 1.533,1107 4.378,1108 29.556,1109 2.268,1110 18.236,1111 23.377,1113 37.411,1114 17.698,1115 4398,1116 7032,1117 16.819,1118 26.051,1119 38.92,1120 39.245,1121 40.034,1122 38.747,1123 38.753,1124 51.273,1125 1.72,1126 117.881,1127 36.935,1128 5.583,1129 5.383,1130 6.567,1131 5.376,1132 5.339,1133 7.732,1134 1.72,1135 19.555,1136 5.221,1137 9.728,1138 1.557,1139 1.57,1140 1.601,1141 1.55,1142 1.55,1143 2.051,1144 0.069,1145 4.715,1146 1.477,1147 4.14,1148 4.185,1149 4.121,1150 4.012,1151 5.256,1152 4.031,1153 3.92,1154 3.948,1155 3.869,1156 3.796,1157 4.907,1158 3.813,1159 3.577,1160 3.655,1161 3.445,1162 3.41,1163 4.811,1164 3.401,1165 3.4,1166 3.454,1167 3.289,1168 3.242,1169 4.513,1170 3.244,1171 3.144,1172 3.237,1173 3.019,1174 2.921,1175 4.237,1176 2.94,1177 2.992,1178 3.099,1179 2.87,1180 2.705,1181 4.025,1182 2.734,1183 2.874,1184 3.009,1185 2.717,1186 2.654,1187 3.719,1188 2.666,1189 2.845,1190 2.904,1191 2.499,1192 2.618,1193 3.663,1194 2.57,1195 0.19,1196 0.135,1197 0.282,1198 0.172,1199 0.134,1200 4.76,1201 0.189,1202 3.383,1203 0.034,1204 7.039,1205 0.484,1206 4.303,1207 0.129,1208 3.339,1209 4.732,1210 0.86,1211 12.088,1212 3.221,1213 1.932,1214 1.913,1215 2.007,1216 2.035,1217 1.211,1218 2.018,1219 1.798,1220 1.75,1221 1.946,1222 1.974,1223 1.144,1224 1.969,1225 1.613,1226 1.549,1227 1.781,1228 1.806,1229 0.962,1230 1.81,1231 1.415,1232 1.359,1233 1.679,1234 1.643,1235 0.806,1236 1.657,1237 1.139,1238 1.087,1239 1.417,1240 1.403,1241 0.469,1242 1.372,1243 0.934,1244 0.804,1245 1.256,1246 1.239,1247 0.297,1248 1.308,1249 0.878,1250 0.79,1251 1.146,1252 1.224,1253 0.209,1254 1.209,1255 0.799,1256 0.735,1257 1.103,1258 1.07,1259 0.042,1260 1.06,1261 3.932,1263 5.293,1264 3.045,1265 6.851,1266 5.416,1267 8.502,1268 7.554,1269 10.204,1271 4.149,1275 6.092,1277 1.67,1279 5.569,1281 0.198,1289 24.983,1290 61.034,1291 149.322,1292 177.866,1293 182.621,1294 182.621,1295 182.621,1296 26.774,1297 7.358,1298 78.85,1299 78.85,1300 22,1301 12.673,1302 4.087,1303 3.17,1304 29.673,1305 61,1306 56,1307 0.243,1308 152.15,1309 248.53,1310 363.007,1311 14040,1313 15.267,1314 0.694,1315 0.572,1316 15.267,1317 12.575,1318 10.648,1319 0.426,1320 0.296,1321 7.285,1322 10.191,1323 7.072,1324 5.863,1325 10.648,1326 7.397,1327 9.981,1328 0.27,1329 0.156,1330 9.981,1331 5.765,1332 8.729,1333 0.165,1334 0.075,1335 8.729,1336 3.97,1337 7.769,1338 0.104,1339 0.039,1340 7.769,1341 2.891,1342 6.227,1343 0.066,1344 0.02,1345 6.227,1346 1.912,1347 0.361,1348 66.938,1349 0.244,1350 21.001,1351 0.729,1352 124,1353 339.628,1354 136.979,1355 330.366,1356 471.27,1357 312,1358 152,1359 371.748,1360 166.284,1361 373.679,1362 555.64,1363 353,1364 5.523}
{0 CHEMBL1241588,1 1.645,2 8.043,3 2.212,4 4.893,5 87.52,6 7.784,7 0.615,8 3.834,9 3.952,10 3.449,11 3.31,12 4.963,13 3.327,14 4.368,15 4.535,16 3.837,17 3.691,18 5.452,19 3.704,20 4.551,21 4.738,22 3.906,23 3.805,24 5.642,25 3.803,26 4.566,27 4.774,28 3.841,29 3.828,30 5.654,31 3.789,32 4.531,33 4.745,34 3.682,35 3.793,36 5.53,37 3.723,38 4.474,39 4.68,40 3.648,41 3.709,42 5.539,43 3.641,44 4.529,45 4.783,46 3.459,47 3.592,48 5.546,49 3.491,50 4.381,51 4.663,52 3.21,53 3.323,54 5.262,55 3.208,56 0.085,57 0.639,58 7.861,59 3.311,60 8.532,61 4.23,62 0.289,63 0.991,64 15.737,65 5.498,66 21.909,67 7.196,68 0.464,69 1.152,70 19.856,71 6.087,72 28.505,73 8.341,74 0.395,75 1.205,76 19.949,77 6.543,78 32.228,79 9.189,80 0.326,81 1.139,82 19.183,83 6.337,84 25.847,85 9.166,86 0.287,87 1.055,88 17.902,89 6.201,90 25.319,91 8.946,92 0.491,93 0.983,94 21.297,95 6.225,96 44.401,97 9.383,98 0.433,99 0.737,100 20.212,101 6.035,102 33.9,103 9.009,104 11,105 38,106 0.29,107 0.661,108 0.77,109 0.799,110 0.808,111 0.817,112 3.19,113 0.87,114 -4.13,115 -4.08,116 -3.86,118 40,119 2,124 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 9,172 1,173 1,175 1,178 4,180 1,181 2,182 9,188 3,191 2,192 9,194 3,195 3,197 1,199 3,201 1,203 1,204 6,208 2,211 2,213 2,214 2,215 5,220 3,223 4,225 3,227 3,230 1,231 1,235 2,239 2,240 2,242 1,243 1,252 2,264 677,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.806,271 17.482,272 9.059,273 16.167,274 12.838,275 12.838,276 12.838,277 12.838,278 12.838,279 9.928,280 17.084,281 4.27,282 13.689,283 3.677,284 1.57,285 0.957,286 0.788,287 0.738,288 0.688,289 3.888,292 1,293 1,294 1,295 407,296 2.646,299 40.642,300 150.345,303 78.29,304 83.376,307 1.18,308 21.18,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 50.5,320 185,321 4.76,322 3.386,323 7.039,324 4.302,325 3.339,326 4.732,327 0.86,328 12.088,329 3.218,330 4.273,331 3.231,332 6.247,333 3.858,334 2.913,335 3.922,336 0.86,337 9.372,338 2.752,339 3.826,340 2.69,341 6.069,342 3.504,343 2.554,344 3.221,346 8.561,347 2.419,348 3.712,349 2.466,350 5.712,351 3.317,352 2.367,353 3.117,355 7.453,356 2.242,357 3.037,358 2.18,359 4.82,360 2.685,361 1.744,362 2.266,364 4.819,365 1.637,366 2.996,367 1.873,368 4.531,369 2.532,370 1.618,371 2.129,373 4.487,374 1.475,375 2.923,376 1.808,377 4.367,378 2.503,379 1.579,380 2.06,382 4.088,383 1.45,384 2.564,385 1.493,386 3.864,387 2.294,388 1.368,389 1.584,391 2.999,392 1.254,393 2.434,394 1.09,395 3.614,396 2.005,397 1.058,398 1.424,400 2.733,401 0.998,402 2.131,403 0.97,404 3.486,405 1.786,406 0.827,407 1.04,409 2.06,410 0.79,411 1.862,412 0.832,413 3.162,414 1.531,415 0.632,416 0.757,417 1.506,418 0.563,419 1.063,420 0.007,421 2.682,422 0.647,423 -0.273,424 -0.34,425 -0.643,426 -0.25,427 0.908,428 -0.168,429 2.425,430 0.513,431 -0.415,432 -0.518,433 -1.037,434 -0.38,435 0.687,436 -0.306,437 2.262,438 0.311,439 -0.618,440 -0.729,441 -1.598,442 -0.565,443 0.61,444 -0.735,445 2.229,446 0.116,447 -0.811,448 -1,449 -2,450 -0.749,451 10.667,452 0.464,453 0.61,454 0.027,455 31.5,456 1.37,457 15.5,458 0.674,459 16,460 0.696,461 17.506,462 0.761,463 24.733,464 0.618,465 21.634,466 0.941,467 6.037,468 0.262,469 5.11,470 0.222,471 0.131,473 0.413,478 0.896,479 1.335,480 0.731,481 1.137,482 1.038,483 0.936,484 1.155,485 1.065,486 0.749,487 0.904,488 0.831,489 0.781,490 1.242,491 1.101,492 0.908,493 0.861,494 0.949,495 0.824,496 0.888,497 0.986,498 0.968,499 0.964,500 0.945,501 0.973,502 0.853,503 1.115,504 1.125,505 1.098,506 0.913,507 1.135,508 0.726,509 1.316,510 1.063,511 1.301,512 1.003,513 1.249,514 0.818,515 0.931,516 1.117,517 1.071,518 1.331,519 1.124,520 0.838,521 0.808,522 0.812,523 0.912,524 0.66,525 0.879,526 4,527 0.025,528 2.889,529 1.917,530 1.869,531 0.799,532 0.485,533 0.38,534 0.179,535 0.082,536 5247,537 13874,538 2.141,539 42.5,541 8,543 1,544 2,546 6,549 1.663,550 2,551 3.014,552 0.364,553 1,554 1,556 1,558 65.781,559 1.645,560 3.752,561 4.365,562 4.534,563 4.584,564 4.634,565 2.442,566 4.437,567 4.497,568 3.132,569 792.408,570 7.773,571 8620.42,572 1,573 1,575 1,576 212.877,577 1.422,578 4.454,579 0.154,580 0.008,581 0.076,582 0.048,583 0.051,584 0.026,585 0.017,586 0.017,587 0.011,588 0.008,589 0.415,590 0.5,591 1,592 0.777,593 104.655,594 -0.031,595 -0.129,596 0.071,597 -0.087,598 -0.153,599 -0.002,600 -0.043,601 0.017,602 0.165,603 0.095,604 0.08,605 0.153,606 -0.081,607 -0.045,608 0.039,609 0.102,610 0.014,611 0.097,612 -0.024,613 0.099,614 -0.05,615 -0.004,616 0.015,617 -0.033,618 -0.115,619 -0.043,620 -0.222,621 -0.12,622 -0.104,623 -0.173,624 0.044,625 -0.269,626 -0.158,627 -0.308,628 -0.025,629 -0.277,630 0.112,631 0.023,632 -0.117,633 -0.134,634 -0.159,635 -0.155,636 0.224,637 -0.021,638 0.274,639 0.066,640 0.283,641 0.16,642 1.244,643 2.16,644 0.826,645 15.981,646 1.012,647 1.135,648 2.905,649 8.439,650 0.663,651 3.296,652 3.664,653 4.007,654 4.344,655 4.625,656 4.745,657 4.868,658 5.024,659 5.106,660 5.106,661 4.96,662 0.642,663 311.38,664 3.296,665 4.86,666 5.746,667 6.658,668 7.567,669 8.486,670 9.403,671 10.325,672 11.245,673 12.17,674 12.5,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 40,718 16,719 1,720 26,722 43,723 16,724 11,725 3,726 3,728 4,729 6,732 2,738 1,740 11,741 5,756 1,757 1,760 17,761 6,762 2,763 7,769 5,775 0.5,776 2,785 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 23,828 1,833 2,835 2,837 1,850 5,855 2,858 11.5,859 7.883,860 4.944,861 2.447,863 3.225,864 1.431,865 1.006,866 3.435,867 10.703,868 3.555,869 4.23,870 4.926,871 5.607,872 6.199,873 6.612,874 7.062,875 7.527,876 7.831,877 8.126,878 1,879 40,880 8.464,881 3.643,882 7.674,883 16.172,884 13.397,885 2.174,886 50,890 176.567,891 86.928,892 84.908,894 22,897 86.928,898 198.566,899 84.908,900 17.65,901 9.185,902 61.326,903 63.72,904 51.397,905 2.328,906 164.795,908 176.567,909 171.836,910 22,913 105.94,914 92.626,917 41.702,918 79.899,919 50.234,921 176.567,922 106.908,923 86.928,926 176.567,927 32.23,928 56.474,930 105.131,931 176.567,932 106.908,933 86.928,935 0.591,936 0.357,937 0.206,938 0.119,939 21,940 9,941 0.047,942 2,943 2,944 1.211,945 3.435,946 199.866,947 0.211,948 19,949 102.042,954 14.425,955 5.477,956 2.347,957 1.496,958 105.131,959 7.232,960 13.168,964 3.545,965 1.861,966 32.897,967 370.402,968 34,980 40.465,981 45.402,983 0.309,984 0.705,985 0.82,986 0.852,987 0.861,988 0.871,989 4.812,990 1.368,991 5.753,992 4.088,993 4.344,994 4.916,995 1.376,996 6.632,997 4.229,998 6.045,999 1.058,1000 7.352,1001 2.999,1002 4.007,1003 4.856,1005 7.667,1006 3.871,1007 7.381,1008 0.827,1009 9.055,1010 2.733,1011 5.994,1012 7.233,1013 1.159,1014 10.825,1015 5.789,1016 8.759,1017 0.632,1018 10.819,1019 2.06,1020 6.494,1021 8.043,1023 12.713,1024 6.269,1025 10.175,1026 -0.273,1027 12.622,1028 1.506,1029 7.967,1030 9.901,1031 0.963,1032 15.399,1033 7.688,1034 11.617,1035 -0.415,1036 14.453,1037 -0.643,1038 8.846,1039 11.111,1041 17.635,1042 8.541,1043 13.08,1044 -0.618,1045 16.304,1046 -1.037,1047 10.125,1048 12.768,1049 0.787,1050 20.172,1051 9.776,1052 3.339,1053 -0.811,1054 18.169,1055 -1.598,1056 11.175,1057 14.163,1059 22.553,1060 10.796,1061 2.913,1062 12.088,1063 20.047,1064 -2,1065 12.385,1066 15.744,1067 0.634,1068 25.048,1069 11.968,1070 2.554,1071 9.372,1072 21.934,1073 4.732,1074 13.51,1075 17.222,1077 27.49,1078 13.061,1079 2.367,1080 8.561,1081 23.83,1082 3.922,1083 14.7,1084 18.777,1085 0.504,1086 29.975,1087 14.215,1088 1.744,1089 7.453,1090 25.732,1091 3.221,1092 15.861,1093 20.293,1095 32.444,1096 15.342,1097 1.618,1098 4.819,1099 27.64,1100 3.117,1101 17.047,1102 21.841,1103 0.395,1104 34.929,1105 16.495,1106 1.579,1107 4.487,1108 29.553,1109 2.266,1110 18.225,1111 23.375,1113 37.41,1114 17.639,1115 4990,1116 8252,1117 17.512,1118 26.506,1119 40.264,1120 40.451,1121 41.515,1122 39.987,1123 39.997,1124 52.504,1125 3.44,1126 120.33,1127 37.599,1128 5.704,1129 5.386,1130 6.727,1131 5.443,1132 5.339,1133 7.732,1134 1.72,1135 19.555,1136 5.218,1137 10.072,1138 1.549,1139 1.556,1140 1.597,1141 1.538,1142 1.538,1143 2.019,1144 0.132,1145 4.628,1146 1.446,1147 4.136,1148 4.181,1149 4.118,1150 3.996,1151 5.257,1152 4.019,1153 3.885,1154 3.904,1155 3.841,1156 3.749,1157 4.956,1158 3.769,1159 3.578,1160 3.655,1161 3.445,1162 3.408,1163 4.842,1164 3.401,1165 3.453,1166 3.503,1167 3.33,1168 3.253,1169 4.52,1170 3.263,1171 3.166,1172 3.256,1173 3.054,1174 2.94,1175 4.278,1176 2.964,1177 2.996,1178 3.104,1179 2.876,1180 2.723,1181 4.209,1182 2.737,1183 2.888,1184 3.009,1185 2.772,1186 2.68,1187 4.034,1188 2.706,1189 2.874,1190 2.932,1191 2.563,1192 2.618,1193 3.682,1194 2.57,1195 0.183,1196 0.13,1197 0.271,1198 0.165,1199 0.128,1200 4.76,1201 0.182,1202 3.386,1203 0.033,1204 7.039,1205 0.465,1206 4.302,1207 0.124,1208 3.339,1209 4.732,1210 0.86,1211 12.088,1212 3.218,1213 1.934,1214 1.919,1215 2.006,1216 2.05,1217 1.16,1218 2.033,1219 1.801,1220 1.756,1221 1.946,1222 2.005,1223 1.132,1224 1.982,1225 1.62,1226 1.559,1227 1.789,1228 1.834,1229 0.962,1230 1.829,1231 1.415,1232 1.361,1233 1.669,1234 1.636,1235 0.81,1236 1.65,1237 1.102,1238 1.036,1239 1.417,1240 1.379,1241 0.469,1242 1.354,1243 0.934,1244 0.812,1245 1.246,1246 1.239,1247 0.262,1248 1.308,1249 0.881,1250 0.804,1251 1.154,1252 1.201,1253 0.158,1254 1.19,1255 0.821,1256 0.752,1257 1.057,1258 1.084,1259 0.055,1260 1.08,1261 3.97,1263 5.323,1264 2.398,1265 6.884,1266 4.844,1267 8.542,1268 7.081,1269 10.249,1271 4.108,1275 6.085,1277 1.112,1279 11.229,1281 0.165,1289 25.697,1290 65.781,1291 150.068,1292 174.612,1293 181.367,1294 183.367,1295 185.367,1296 29.339,1297 7.478,1298 88.08,1299 88.08,1300 23,1301 12.676,1302 4.087,1303 3.17,1304 31.639,1305 67,1306 68,1307 0.235,1308 156.147,1309 257.32,1310 372.757,1311 16621,1313 15.974,1314 0.695,1315 0.565,1316 15.974,1317 12.984,1318 11.148,1319 0.429,1320 0.29,1321 7.39,1322 10.562,1323 7.198,1324 5.954,1325 11.148,1326 7.536,1327 10.335,1328 0.272,1329 0.15,1330 10.335,1331 5.703,1332 8.979,1333 0.166,1334 0.071,1335 8.979,1336 3.823,1337 7.939,1338 0.104,1339 0.036,1340 7.939,1341 2.748,1342 6.765,1343 0.067,1344 0.019,1345 6.765,1346 1.929,1347 0.352,1348 70.846,1349 0.239,1350 21.912,1351 0.697,1352 128,1353 387.364,1354 144.522,1355 367.889,1356 519.99,1357 348,1358 156,1359 405.202,1360 174.16,1361 403.389,1362 600.56,1363 381,1364 5.17}
{0 CHEMBL1241674,1 1.606,2 8.043,3 2.744,4 7.527,5 89.221,6 7.907,7 0.769,8 3.809,9 3.94,10 3.427,11 3.316,12 4.998,13 3.326,14 4.295,15 4.466,16 3.836,17 3.718,18 5.44,19 3.717,20 4.504,21 4.699,22 3.871,23 3.811,24 5.636,25 3.793,26 4.592,27 4.824,28 3.845,29 3.812,30 5.701,31 3.771,32 4.484,33 4.702,34 3.686,35 3.731,36 5.562,37 3.674,38 4.411,39 4.62,40 3.621,41 3.669,42 5.521,43 3.617,44 4.498,45 4.765,46 3.399,47 3.616,48 5.519,49 3.508,50 4.324,51 4.618,52 3.148,53 3.372,54 5.26,55 3.239,56 0.1,57 0.657,58 7.475,59 2.975,60 11.951,61 3.847,62 0.171,63 1.031,64 13.36,65 5.062,66 18.42,67 6.93,68 0.28,69 1.193,70 17.675,71 5.714,72 26.54,73 7.973,74 0.4,75 1.242,76 20.893,77 6.472,78 37.848,79 9.343,80 0.359,81 1.111,82 18.105,83 5.797,84 31.978,85 8.239,86 0.224,87 1.06,88 16.204,89 5.097,90 27.427,91 7.339,92 0.372,93 1.019,94 20.418,95 5.868,96 41.837,97 8.859,98 0.277,99 0.775,100 18.592,101 5.846,102 29.432,103 8.887,104 18,105 39,106 0.282,107 0.702,108 0.803,109 0.839,110 0.839,111 0.839,112 3.19,113 0.848,114 -4.06,115 -4.01,116 -3.79,118 41,119 2,126 1,138 4,139 2,140 1,142 1,143 1,144 1,148 2,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 6,172 1,173 1,175 6,178 4,180 1,181 1,182 3,184 1,186 5,188 4,191 2,192 4,194 3,195 4,197 1,199 4,204 5,206 2,207 2,208 1,210 1,211 2,213 1,215 7,220 5,223 3,225 3,228 5,231 1,233 3,235 2,237 2,240 2,243 1,245 1,247 4,249 1,255 2,256 1,259 1,260 2,264 675,265 15.378,266 15.378,267 15.378,268 15.378,269 15.378,270 13.109,271 11.643,272 8.753,273 15.732,274 12.838,275 12.838,276 12.838,277 12.838,278 12.838,279 9.309,280 8.663,281 4.155,282 13.432,283 3.68,284 1.282,285 0.705,286 0.5,287 0.5,288 0.5,289 3.883,292 1,293 1,294 1,295 405,296 2.739,299 79.825,300 106.169,303 156.45,307 1.18,308 21.386,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 50,320 185,321 4.771,322 3.382,323 7.042,324 4.309,325 3.347,326 4.748,328 12.1,329 3.22,330 4.463,331 3.022,332 6.332,333 3.962,334 2.989,335 4.406,337 9.716,338 2.907,339 3.836,340 2.672,341 6.055,342 3.501,343 2.546,344 3.272,346 8.473,347 2.426,348 3.744,349 2.507,350 5.668,351 3.321,352 2.369,353 3.18,355 7.328,356 2.252,357 3.449,358 2.19,359 4.963,360 3.001,361 2.053,362 2.816,364 5.799,365 1.939,366 3.037,367 1.815,368 4.818,369 2.681,370 1.741,371 2.303,373 4.817,374 1.633,375 3.02,376 1.535,377 4.427,378 2.519,379 1.535,380 2.158,382 4.303,383 1.51,384 2.891,385 1.421,386 4.369,387 2.346,388 1.412,389 2.066,391 3.836,392 1.315,393 2.468,394 1.019,395 3.854,396 1.967,397 1.015,398 1.454,400 2.718,401 0.964,402 2.109,403 0.819,404 3.482,405 1.728,406 0.777,407 1.003,409 1.991,410 0.737,411 1.944,412 0.536,413 3.159,414 1.432,415 0.468,416 0.683,417 1.177,418 0.449,419 1.061,420 -0.116,421 2.632,422 0.628,423 -0.288,424 -0.366,425 -0.674,426 -0.263,427 0.955,428 -0.167,429 2.421,430 0.521,431 -0.413,432 -0.534,433 -1.055,434 -0.38,435 0.697,436 -0.7,437 2.353,438 0.216,439 -0.728,440 -0.999,441 -2,442 -0.685,443 0.591,444 -0.825,445 2.252,446 0.087,447 -0.876,448 -1,449 -2.119,450 -0.837,451 10.733,452 0.467,453 0.716,454 0.031,455 32.75,456 1.424,457 17,458 0.739,459 15.75,460 0.685,461 16.793,462 0.73,463 24.067,464 0.617,465 22.778,466 0.99,467 6.282,468 0.273,469 4.76,470 0.207,471 0.161,473 0.457,478 1.009,479 1.225,480 0.768,481 0.935,482 1.097,483 0.83,484 0.707,485 1.175,486 0.646,487 0.946,488 0.518,489 0.808,490 1.125,491 1.194,492 0.951,493 0.996,494 0.924,495 0.947,496 0.89,497 0.927,498 0.911,499 0.904,500 0.813,501 0.903,502 0.975,503 0.991,504 1.113,505 1.034,506 0.84,507 1.079,508 1.131,509 1.349,510 1.193,511 1.211,512 1.004,513 1.199,514 1.029,515 0.872,516 1.191,517 0.955,518 0.928,519 1.057,520 0.691,521 0.823,522 0.841,523 0.918,524 0.8,525 0.906,526 5,527 0.012,528 2.889,529 2.333,530 1.932,531 0.674,532 0.671,533 0.317,534 0.24,535 0.119,536 5166,537 14062,538 2.115,539 41,541 5,543 1,544 4,546 6,549 1.663,550 1.944,551 3.012,552 1.865,553 1,554 1,556 1,558 62.621,559 1.606,560 4.003,561 4.58,562 4.785,563 4.785,564 4.785,565 2.442,566 4.263,567 4.496,568 3.132,569 792.445,570 7.772,571 8611.62,572 1,573 1,574 1,575 1,576 206.131,577 1.491,578 4.44,579 0.192,580 0.004,581 0.074,582 0.06,583 0.052,584 0.022,585 0.023,586 0.014,587 0.014,588 0.012,589 0.468,590 0.33,591 1,592 0.832,593 104.624,594 -0.111,595 -0.032,596 0.025,597 0.064,598 -0.225,599 0.065,600 0.103,601 -0.053,602 0.205,603 0.049,604 0.142,605 0.127,606 -0.131,607 -0.114,608 -0.044,609 -0.045,610 -0.067,611 -0.033,612 0.063,613 0.101,614 0.052,615 0.033,616 0.026,617 0.036,618 -0.032,619 0.056,620 -0.18,621 -0.087,622 -0.034,623 -0.147,624 -0.247,625 -0.282,626 -0.286,627 -0.269,628 -0.174,629 -0.279,630 -0.146,631 0.08,632 -0.184,633 -0.011,634 -0.093,635 -0.078,636 0.143,637 -0.007,638 0.231,639 0.096,640 0.112,641 0.171,642 1.441,643 3.629,644 0.783,645 16.246,646 1.009,647 1.135,648 2.827,649 7.994,650 0.674,651 3.296,652 3.689,653 4.025,654 4.382,655 4.644,656 4.804,657 4.942,658 5.124,659 5.136,660 5.187,661 4.958,662 0.653,663 308.38,664 3.296,665 4.875,666 5.765,667 6.688,668 7.602,669 8.531,670 9.454,671 10.385,672 11.312,673 12.245,674 15.4,678 1,682 2,684 3,689 4,690 5,691 3,692 1,695 4,696 1,697 20,708 1,713 1,716 39,718 20,719 1,720 26,722 42,723 16,724 13,725 3,726 3,728 4,729 6,732 2,738 1,740 13,741 3,756 1,757 1,760 16,761 5,762 4,763 7,769 6,775 0.5,776 1,785 1,788 1,789 1,793 2,794 2,797 2,819 2,823 2,827 23,828 1,832 1,837 1,850 2.6,852 1,858 11.833,859 7.583,860 4.861,861 2.289,863 4.053,864 1.54,865 1.016,866 3.112,867 11.553,868 3.611,869 4.35,870 5.075,871 5.798,872 6.388,873 6.861,874 7.364,875 7.905,876 8.215,877 8.637,878 1,879 39,880 8.444,881 3.687,882 7.768,883 15.992,884 13.421,885 2.268,886 52.167,890 141.253,891 81.021,892 101.693,894 42.683,897 81.021,898 183.937,899 101.693,900 17.65,902 70.802,903 106.404,904 35.083,905 7.229,906 129.482,908 141.253,909 182.714,910 42.683,913 70.627,914 113.31,917 49.303,918 83.177,919 50.234,921 141.253,922 144.377,923 81.021,926 141.253,927 16.847,928 65.951,929 16.786,930 125.815,931 141.253,932 144.377,933 81.021,935 0.6,936 0.356,937 0.204,938 0.118,939 22,940 10,941 0.048,942 2,943 2,944 1.222,945 3.409,946 201.251,947 0.222,948 18,949 102.042,954 14.182,955 5.047,956 2.186,957 3.268,958 125.815,959 8.566,960 13.105,961 3.313,964 2.154,965 1.839,966 92.366,967 366.651,968 36,980 39.356,981 44.275,983 0.304,984 0.757,985 0.867,986 0.905,987 0.905,988 0.905,989 4.868,990 1.412,991 5.79,992 4.303,993 4.369,994 5.037,996 6.681,997 4.284,998 6.134,999 1.015,1000 7.398,1001 3.836,1002 4.111,1003 5.047,1005 7.716,1006 3.989,1007 7.486,1008 0.777,1009 9.105,1010 2.718,1011 6.038,1012 7.423,1014 10.871,1015 5.878,1016 8.878,1017 0.468,1018 10.869,1019 1.991,1020 6.581,1021 8.274,1023 12.752,1024 6.386,1025 10.302,1026 -0.288,1027 12.669,1028 1.177,1029 8.023,1030 10.135,1032 15.44,1033 7.795,1034 11.752,1035 -0.413,1036 14.496,1037 -0.674,1038 8.923,1039 11.371,1041 17.672,1042 8.66,1043 13.221,1044 -0.728,1045 16.344,1046 -1.055,1047 10.19,1048 13.031,1050 20.211,1051 9.893,1052 3.347,1053 -0.876,1054 18.206,1055 -2,1056 11.251,1057 14.44,1059 22.59,1060 10.917,1061 2.989,1062 12.1,1063 20.081,1064 -2.119,1065 12.456,1066 16.023,1068 25.084,1069 12.089,1070 2.546,1071 9.716,1072 21.967,1073 4.748,1074 13.588,1075 17.507,1077 27.524,1078 13.182,1079 2.369,1080 8.473,1081 23.861,1082 4.406,1083 14.777,1084 19.061,1086 30.009,1087 14.335,1088 2.053,1089 7.328,1090 25.762,1091 3.272,1092 15.94,1093 20.577,1095 32.475,1096 15.461,1097 1.741,1098 5.799,1099 27.67,1100 3.18,1101 17.127,1102 22.121,1104 34.96,1105 16.61,1106 1.535,1107 4.817,1108 29.583,1109 2.816,1110 18.306,1111 23.652,1113 37.439,1114 17.751,1115 4956,1116 8299,1117 17.224,1118 26.296,1119 40.999,1120 40.431,1121 42.338,1122 40.548,1123 40.5,1124 56.182,1126 124.515,1127 38.702,1128 5.46,1129 5.382,1130 6.57,1131 5.382,1132 5.347,1133 7.748,1135 19.606,1136 5.22,1137 11.774,1138 1.577,1139 1.555,1140 1.628,1141 1.56,1142 1.558,1143 2.161,1145 4.789,1146 1.489,1147 4.187,1148 4.228,1149 4.164,1150 4.072,1151 6.471,1152 4.088,1153 4.008,1154 4.051,1155 3.978,1156 3.866,1157 5.26,1158 3.891,1159 3.578,1160 3.655,1161 3.445,1162 3.413,1163 4.947,1164 3.404,1165 3.437,1166 3.48,1167 3.372,1168 3.277,1169 4.811,1170 3.295,1171 3.135,1172 3.228,1173 3.032,1174 2.876,1175 4.494,1176 2.909,1177 2.985,1178 3.09,1179 2.868,1180 2.816,1181 4.14,1182 2.815,1183 2.954,1184 3.013,1185 2.829,1186 2.676,1187 3.985,1188 2.714,1189 2.874,1190 3.009,1191 2.499,1192 2.618,1193 3.737,1194 2.57,1195 0.183,1196 0.13,1197 0.271,1198 0.166,1199 0.129,1200 4.771,1201 0.183,1202 3.382,1204 7.042,1205 0.465,1206 4.309,1207 0.124,1208 3.347,1209 4.748,1211 12.1,1212 3.22,1213 1.919,1214 1.9,1215 2.002,1216 2.028,1217 1.148,1218 2.009,1219 1.846,1220 1.808,1221 1.95,1222 2.01,1223 1.126,1224 1.998,1225 1.68,1226 1.615,1227 1.839,1228 1.885,1229 0.961,1230 1.876,1231 1.458,1232 1.397,1233 1.595,1234 1.669,1235 0.625,1236 1.659,1237 1.021,1238 0.979,1239 1.417,1240 1.35,1241 0.469,1242 1.322,1243 1.003,1244 0.929,1245 1.218,1246 1.24,1247 0.246,1248 1.308,1249 0.934,1250 0.804,1251 1.184,1252 1.239,1253 0.15,1254 1.221,1255 0.828,1256 0.75,1257 1.087,1258 1.146,1259 0.04,1260 1.131,1261 3.97,1263 5.342,1264 3.045,1265 6.903,1266 5.476,1267 8.554,1268 7.662,1269 10.254,1271 4.079,1275 6.068,1276 9.629,1281 0.147,1289 25.477,1290 62.621,1291 156.115,1292 178.621,1293 186.621,1294 186.621,1295 186.621,1296 31.186,1297 7.5,1298 105.64,1299 105.64,1300 22,1301 12.746,1302 4.392,1303 3.459,1304 31.647,1305 67,1306 72,1307 0.236,1308 156.017,1309 245.99,1310 372.442,1311 16600,1313 16.137,1314 0.702,1315 0.556,1316 16.137,1317 12.778,1318 11.042,1319 0.425,1320 0.283,1321 7.241,1322 10.585,1323 7.031,1324 5.859,1325 11.042,1326 7.351,1327 10.627,1328 0.272,1329 0.149,1330 10.627,1331 5.799,1332 9.012,1333 0.164,1334 0.07,1335 9.012,1336 3.867,1337 8.025,1338 0.102,1339 0.035,1340 8.025,1341 2.792,1342 6.688,1343 0.065,1344 0.018,1345 6.688,1346 1.9,1347 0.354,1348 69.379,1349 0.241,1350 21.866,1351 0.703,1352 130,1353 360.375,1354 143.594,1355 357.391,1356 505.68,1357 334,1358 159,1359 399.577,1360 173.65,1361 404.341,1362 597.49,1363 381,1364 5.235}
{0 CHEMBL1241675,1 1.489,2 7.958,3 2.404,4 5.781,5 92.277,6 7.79,7 0.714,8 3.866,9 4.001,10 3.496,11 3.391,12 4.957,13 3.394,14 4.411,15 4.591,16 3.892,17 3.829,18 5.44,19 3.809,20 4.643,21 4.88,22 3.87,23 3.903,24 5.585,25 3.847,26 4.613,27 4.855,28 3.873,29 3.862,30 5.644,31 3.815,32 4.525,33 4.745,34 3.769,35 3.823,36 5.525,37 3.771,38 4.489,39 4.69,40 3.756,41 3.812,42 5.526,43 3.756,44 4.582,45 4.828,46 3.624,47 3.774,48 5.57,49 3.67,50 4.518,51 4.818,52 3.239,53 3.541,54 5.358,55 3.392,56 0.053,57 0.724,58 7.921,59 3.139,60 8.522,61 4.276,62 0.188,63 1.175,64 15.279,65 5.579,66 17.301,67 7.805,68 0.225,69 1.328,70 21.978,71 7.076,72 22.717,73 10.504,74 0.339,75 1.298,76 21.601,77 6.647,78 32.977,79 9.841,80 0.271,81 1.213,82 18.768,83 5.817,84 26.506,85 8.439,86 0.197,87 1.195,88 17.199,89 5.862,90 22.698,91 8.363,92 0.33,93 1.197,94 20.947,95 6.995,96 35.837,97 10.207,98 0.261,99 0.992,100 22.115,101 6.472,102 32.238,103 10.071,104 2,105 41,106 0.257,107 0.653,108 0.783,109 0.834,110 0.834,111 0.834,112 3.231,113 0.882,114 -4.58,115 -4.5,116 -4.23,118 41.5,120 4,126 1,138 2,139 2,141 1,142 1,143 1,144 1,147 2,156 2,158 1,159 1,160 1,161 1,167 5,170 3,171 10,172 1,173 1,175 1,178 5,180 1,181 1,182 9,188 2,191 2,192 9,194 3,195 3,197 1,199 2,201 1,203 2,204 8,208 2,211 4,213 2,214 2,215 2,220 2,223 6,225 2,227 4,228 2,230 2,231 2,233 2,235 4,237 2,240 4,252 4,264 760,265 16.792,266 16.792,267 16.792,268 16.792,269 16.792,270 14.548,271 9.487,272 9.779,273 17.213,274 13.858,275 13.858,276 13.858,277 13.858,278 13.858,279 10.422,280 7.5,281 4.637,282 14.553,283 3.869,284 1.58,285 0.829,286 0.537,287 0.537,288 0.537,289 3.945,292 1,293 1,294 1,295 437,296 2.121,299 139.283,300 102.98,303 160.199,307 1.135,308 16.343,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51.5,320 191,321 4.766,322 3.389,323 7.051,324 4.311,325 3.349,326 4.738,328 12.147,329 3.225,330 4.415,331 2.95,332 6.293,333 3.875,334 2.936,335 4.353,337 9.503,338 2.764,339 3.904,340 2.766,341 6.145,342 3.639,343 2.677,344 3.312,346 8.961,347 2.569,348 3.761,349 2.405,350 5.751,351 3.336,352 2.38,353 3.198,355 7.634,356 2.269,357 3.239,358 2.038,359 5.079,360 2.949,361 1.996,362 2.366,364 5.69,365 1.899,366 3.051,367 1.552,368 4.519,369 2.493,370 1.552,371 2.322,373 4.384,374 1.457,375 3.033,376 1.533,377 4.333,378 2.474,379 1.533,380 2.3,382 4.052,383 1.441,384 2.654,385 1.41,386 4.234,387 2.309,388 1.345,389 1.72,391 3.529,392 1.292,393 2.601,394 1.154,395 3.672,396 2.094,397 1.151,398 1.636,400 2.661,401 1.083,402 2.411,403 0.973,404 3.431,405 1.913,406 0.966,407 1.376,409 2.308,410 0.912,411 1.911,412 0.702,413 3.248,414 1.66,415 0.683,416 0.792,417 1.74,418 0.666,419 1.837,420 0.618,421 3.036,422 1.618,423 0.618,424 0.618,425 1.372,426 0.618,427 1.618,428 0.4,429 3,430 1.347,431 0.395,432 0.584,433 0.983,434 0.375,435 1.061,436 -0.153,437 2.652,438 0.629,439 -0.286,440 -0.364,441 -0.672,442 -0.261,443 0.846,444 -0.589,445 2.461,446 0.378,447 -0.59,448 -0.817,449 -1.644,450 -0.569,451 11.3,452 0.471,453 0.534,454 0.022,455 33.75,456 1.406,457 16.5,458 0.688,459 17.25,460 0.719,461 17.938,462 0.747,463 24.7,464 0.602,465 22.066,466 0.919,467 6.135,468 0.256,469 5.675,470 0.236,471 0.035,473 0.381,478 0.9,479 1.374,480 0.723,481 1.042,482 0.92,483 0.887,484 0.843,485 1.138,486 0.812,487 0.999,488 0.588,489 0.918,490 1.013,491 1.13,492 0.883,493 0.975,494 0.718,495 0.92,496 0.986,497 0.907,498 0.857,499 0.826,500 0.947,501 0.822,502 1.291,503 0.995,504 1.104,505 0.947,506 1.163,507 0.987,508 1.135,509 1.241,510 1.156,511 1.219,512 1.381,513 1.196,514 0.854,515 0.959,516 1.143,517 1.167,518 1.319,519 1.195,520 1.086,521 0.973,522 1.082,523 1.012,524 1.121,525 1.041,526 3.5,528 2.889,529 1.764,530 1.522,531 0.716,532 0.469,533 0.348,534 0.148,535 0.047,536 6351,537 14867,538 2.262,539 41.5,540 4,541 3,542 2,543 2,544 2,546 4,549 1.676,550 2.182,551 3.02,552 0.337,553 1,554 1,556 1,558 61.034,559 1.489,560 3.777,561 4.528,562 4.821,563 4.821,564 4.821,565 2.44,566 4.22,567 4.558,568 3.145,569 868.043,570 7.902,571 9735.16,572 1,573 1,575 1,576 219.66,577 1.175,578 4.543,579 0.125,581 0.07,582 0.045,583 0.039,584 0.02,585 0.014,586 0.012,587 0.008,588 0.005,589 0.339,590 0.33,591 0.88,592 0.382,593 110.695,594 0.007,595 -0.185,596 0.078,597 -0.052,598 -0.018,599 0.011,600 0.125,601 -0.022,602 0.059,603 -0.023,604 0.186,605 0.002,606 -0.046,607 -0.141,608 0.08,609 0.003,610 0.126,611 0.051,612 0.096,613 0.103,614 0.12,615 0.122,616 0.115,617 0.124,618 -0.212,619 0.063,620 -0.169,621 -0.005,622 -0.161,623 -0.067,624 -0.139,625 -0.167,626 -0.258,627 -0.258,628 -0.239,629 -0.274,630 0.13,631 0.016,632 -0.169,633 -0.197,634 -0.114,635 -0.225,636 -0.112,637 -0.122,638 -0.016,639 -0.036,640 -0.052,641 -0.015,642 1.192,643 2.174,644 0.958,645 17.167,646 1.003,647 1.136,648 3.347,649 11.2,650 0.679,651 3.367,652 3.738,653 4.111,654 4.466,655 4.682,656 4.883,657 5.081,658 5.268,659 5.328,660 5.384,661 5.036,662 0.653,663 319.41,664 3.367,665 4.934,666 5.832,667 6.746,668 7.662,669 8.584,670 9.507,671 10.433,672 11.359,673 12.288,674 17.1,678 1,682 2,684 4,689 3,690 6,691 4,695 3,696 1,697 20,708 1,716 41,718 20,720 28,722 45,723 17,724 12,728 5,729 7,735 5,738 5,740 12,741 5,756 1,757 1,760 17,761 5,762 2,763 7,766 1,769 7,775 0.6,785 1,787 1,788 1,793 3,794 2,797 2,819 3,827 24,828 1,833 4,837 1,858 11,859 7.367,860 5.111,861 2.629,863 3.983,864 1.515,865 1.072,866 3.068,867 11.719,868 3.664,869 4.363,870 5.091,871 5.796,872 6.355,873 6.837,874 7.362,875 7.89,876 8.22,877 8.651,878 1,879 39,880 8.848,881 3.907,882 7.556,883 17.246,884 14.974,885 2.056,886 49.333,889 1,890 176.567,891 79.125,892 102.98,897 79.125,898 176.567,899 102.98,901 10.138,902 69.945,903 93.992,904 29.244,905 25.87,906 129.482,908 176.567,909 182.105,913 129.482,914 47.084,917 37.055,918 78.031,919 67.02,921 176.567,922 102.98,923 79.125,926 176.567,927 24.412,928 57.776,930 99.917,931 176.567,932 102.98,933 79.125,935 0.589,936 0.362,937 0.212,938 0.108,939 24,940 9,941 0.044,942 2,943 2,944 1.174,945 3.633,946 219.375,947 0.174,948 23,949 104.039,954 13.937,955 5.283,956 2.139,957 2.541,958 99.917,959 11.261,960 17.9,964 2.292,965 2.047,966 32.897,967 358.672,968 38,980 41.131,981 46.564,983 0.278,984 0.705,985 0.845,986 0.9,987 0.9,988 0.9,989 4.913,990 1.345,991 5.826,992 4.052,993 4.419,994 5.05,996 6.706,997 4.326,998 6.145,999 1.151,1000 7.419,1001 3.529,1002 4.007,1003 4.956,1005 7.722,1006 3.863,1007 7.481,1008 0.966,1009 9.116,1010 2.661,1011 6.066,1012 7.401,1014 10.895,1015 5.884,1016 8.863,1017 0.683,1018 10.877,1019 2.308,1020 6.553,1021 8.224,1023 12.785,1024 6.325,1025 10.282,1026 0.618,1027 12.678,1028 1.74,1029 8.038,1030 10.1,1032 15.47,1033 7.772,1034 11.728,1035 0.395,1036 14.509,1037 1.372,1038 8.916,1039 11.326,1041 17.706,1042 8.609,1043 13.194,1044 -0.286,1045 16.359,1046 0.983,1047 10.195,1048 12.989,1050 20.243,1051 9.85,1052 3.349,1053 -0.59,1054 18.225,1055 -0.672,1056 11.245,1057 14.392,1059 22.624,1060 10.862,1061 2.936,1062 12.147,1063 20.102,1064 -1.644,1065 12.454,1066 15.973,1068 25.12,1069 12.033,1070 2.677,1071 9.503,1072 21.99,1073 4.738,1074 13.579,1075 17.452,1077 27.562,1078 13.122,1079 2.38,1080 8.961,1081 23.885,1082 4.353,1083 14.768,1084 19.004,1086 30.05,1087 14.274,1088 1.996,1089 7.634,1090 25.787,1091 3.312,1092 15.928,1093 20.516,1095 32.52,1096 15.399,1097 1.552,1098 5.69,1099 27.695,1100 3.198,1101 17.114,1102 22.058,1104 35.008,1105 16.549,1106 1.533,1107 4.384,1108 29.608,1109 2.366,1110 18.292,1111 23.586,1113 37.491,1114 17.692,1115 5770,1116 8988,1117 19.592,1118 27.847,1119 43.113,1120 43.039,1121 43.439,1122 43.243,1123 43.162,1124 58.631,1126 129.925,1127 41.141,1128 5.668,1129 5.389,1130 6.646,1131 5.387,1132 5.349,1133 7.738,1135 19.687,1136 5.18,1137 5.845,1138 1.54,1139 1.537,1140 1.551,1141 1.544,1142 1.541,1143 2.094,1145 4.64,1146 1.469,1147 4.178,1148 4.227,1149 4.154,1150 4.032,1151 5.259,1152 4.056,1153 4.026,1154 4.083,1155 3.993,1156 3.848,1157 5.059,1158 3.875,1159 3.793,1160 3.851,1161 3.667,1162 3.674,1163 4.851,1164 3.667,1165 3.395,1166 3.456,1167 3.335,1168 3.25,1169 4.519,1170 3.261,1171 3.219,1172 3.304,1173 3.132,1174 2.951,1175 4.271,1176 2.989,1177 2.993,1178 3.092,1179 2.886,1180 2.789,1181 4.135,1182 2.796,1183 2.895,1184 2.979,1185 2.77,1186 2.694,1187 3.798,1188 2.705,1189 2.869,1190 2.977,1191 2.583,1192 2.671,1193 3.65,1194 2.635,1195 0.17,1196 0.121,1197 0.252,1198 0.154,1199 0.12,1200 4.766,1201 0.169,1202 3.389,1204 7.051,1205 0.434,1206 4.311,1207 0.115,1208 3.349,1209 4.738,1211 12.147,1212 3.225,1213 1.942,1214 1.909,1215 2.007,1216 2.076,1217 1.243,1218 2.058,1219 1.795,1220 1.745,1221 1.892,1222 2.002,1223 1.211,1224 1.968,1225 1.594,1226 1.533,1227 1.86,1228 1.798,1229 1.137,1230 1.793,1231 1.577,1232 1.507,1233 1.753,1234 1.751,1235 0.858,1236 1.788,1237 1.398,1238 1.341,1239 1.559,1240 1.588,1241 0.551,1242 1.585,1243 1.133,1244 1.069,1245 1.242,1246 1.39,1247 0.255,1248 1.362,1249 0.901,1250 0.82,1251 1.139,1252 1.239,1253 0.172,1254 1.22,1255 0.817,1256 0.743,1257 1.1,1258 1.078,1259 0.094,1260 1.072,1261 4.043,1263 5.398,1264 3.434,1265 6.948,1266 5.733,1267 8.592,1268 7.803,1269 10.289,1275 6.174,1277 4.753,1281 0.394,1289 26.784,1290 61.034,1291 154.866,1292 185.66,1293 197.66,1294 197.66,1295 197.66,1296 27.218,1297 7.736,1298 86.92,1299 86.92,1300 27,1301 12.792,1302 4.392,1303 3.459,1304 30.081,1305 71,1306 66,1307 0.208,1308 161.014,1309 253.14,1310 384.635,1311 22600,1313 16.096,1314 0.671,1315 0.547,1316 16.096,1317 13.131,1318 11.81,1319 0.422,1320 0.294,1321 8.109,1322 11.326,1323 8.003,1324 6.588,1325 11.81,1326 8.229,1327 10.782,1328 0.263,1329 0.154,1330 10.782,1331 6.297,1332 9.878,1333 0.165,1334 0.081,1335 9.878,1336 4.86,1337 8.93,1338 0.104,1339 0.043,1340 8.93,1341 3.658,1342 6.856,1343 0.064,1344 0.02,1345 6.856,1346 2.132,1347 0.312,1348 74.03,1349 0.226,1350 22.753,1351 0.622,1352 138,1353 357.183,1354 151.627,1355 353.54,1356 509.38,1357 334,1358 170,1359 408.279,1360 185.653,1361 410.852,1362 611.06,1363 389,1364 4.678}
{0 CHEMBL1241676,1 1.706,2 7.87,3 3.499,4 12.242,5 90.308,6 8.457,7 0.615,8 3.804,9 3.925,10 3.477,11 3.356,12 4.948,13 3.348,14 4.332,15 4.494,16 3.893,17 3.788,18 5.42,19 3.755,20 4.609,21 4.824,22 3.985,23 3.87,24 5.7,25 3.815,26 4.578,27 4.811,28 3.88,29 3.804,30 5.677,31 3.759,32 4.468,33 4.668,34 3.786,35 3.785,36 5.56,37 3.74,38 4.473,39 4.664,40 3.804,41 3.793,42 5.588,43 3.729,44 4.547,45 4.778,46 3.698,47 3.735,48 5.667,49 3.617,50 4.462,51 4.746,52 3.389,53 3.473,54 5.462,55 3.292,56 0.098,57 0.626,58 6.819,59 3.21,60 11.725,61 3.998,62 0.179,63 1.014,64 13.333,65 5.77,66 18.41,67 7.546,68 0.372,69 1.192,70 23.393,71 7.501,72 41.042,73 10.15,74 0.46,75 1.177,76 24.304,77 6.791,78 42.196,79 9.281,80 0.329,81 1.116,82 16.352,83 5.56,84 32.413,85 7.499,86 0.301,87 1.087,88 16.657,89 6.051,90 29.37,91 8.12,92 0.42,93 1.037,94 21.288,95 7.205,96 53.042,97 10.009,98 0.458,99 0.789,100 24.939,101 7.164,102 58.387,103 10.023,104 10,105 38,106 0.302,107 0.694,108 0.779,109 0.837,110 0.837,111 0.837,112 3.19,113 0.923,114 -5.14,115 -5.03,116 -4.71,118 41,120 4,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 7,172 1,173 1,175 2,178 7,180 1,181 1,182 7,186 3,188 5,191 2,192 9,194 3,195 3,197 2,199 4,201 1,204 7,206 1,208 3,211 4,213 2,215 5,218 1,220 3,223 7,225 3,228 3,231 2,232 1,233 2,234 1,235 6,237 2,240 2,245 3,247 2,249 1,257 2,260 2,264 674,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.702,271 12.009,272 9.039,273 16.029,274 12.821,275 12.821,276 12.821,277 12.821,278 12.821,279 9.901,280 8.708,281 4.272,282 13.553,283 3.58,284 1.366,285 0.891,286 0.564,287 0.564,288 0.564,289 3.884,290 1,292 1,293 1,294 1,295 398,296 2.121,299 92.649,300 116.507,303 82.153,307 1.115,308 24.017,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 49.833,320 181,321 4.763,322 3.394,323 7.05,324 4.31,325 3.347,326 4.733,328 12.146,329 3.224,330 4.218,331 3.178,332 6.261,333 3.789,334 2.843,335 3.88,337 9.314,338 2.693,339 3.878,340 2.791,341 5.971,342 3.604,343 2.651,344 3.243,346 8.322,347 2.515,348 3.68,349 2.455,350 5.68,351 3.257,352 2.324,353 3.086,355 7.318,356 2.121,357 3.239,358 2.041,359 5.078,360 2.948,361 1.994,362 2.365,364 5.689,365 1.897,366 2.996,367 1.879,368 4.469,369 2.446,370 1.513,371 2.231,373 4.136,374 1.407,375 2.82,376 1.534,377 4.235,378 2.347,379 1.414,380 1.948,382 3.533,383 1.295,384 2.638,385 1.408,386 4.038,387 2.305,388 1.342,389 1.684,391 3.509,392 1.274,393 2.442,394 1.083,395 3.662,396 1.967,397 1.035,398 1.423,400 2.565,401 0.953,402 1.857,403 0.726,404 3.249,405 1.658,406 0.683,407 0.784,409 1.743,410 0.662,411 1.618,412 0.618,413 3,414 1.618,415 0.618,416 0.618,417 1.372,418 0.618,419 1.371,420 0.577,421 2.736,422 0.925,423 0.103,424 0.124,425 0.227,426 0.072,427 1.057,428 -0.148,429 2.462,430 0.619,431 -0.292,432 -0.371,433 -0.683,434 -0.265,435 0.781,436 -0.284,437 2.375,438 0.35,439 -0.595,440 -0.769,441 -1.604,442 -0.539,443 0.626,444 -0.702,445 2.333,446 0.129,447 -0.795,448 -1.041,449 -2.197,450 -0.702,451 11.048,452 0.48,453 0.61,454 0.027,455 30.5,456 1.326,457 15,458 0.652,459 15.5,460 0.674,461 18.555,462 0.807,463 24.352,464 0.624,465 20.537,466 0.893,467 5.52,468 0.24,469 5.628,470 0.245,471 0.131,473 0.398,478 0.856,479 1.186,480 0.609,481 0.865,482 0.929,483 0.816,484 0.64,485 1.164,486 0.635,487 0.966,488 0.507,489 0.916,490 0.839,491 1.221,492 0.789,493 1.004,494 0.657,495 0.931,496 1.006,497 0.866,498 0.921,499 0.793,500 0.848,501 0.786,502 1.054,503 1.101,504 0.794,505 0.881,506 0.855,507 0.973,508 0.89,509 1.222,510 0.871,511 1.132,512 0.958,513 1.174,514 0.722,515 1.092,516 0.9,517 1.143,518 0.887,519 1.207,520 0.939,521 0.752,522 0.926,523 0.988,524 1.185,525 1.046,526 4,527 0.02,528 3.111,529 1.819,530 1.647,531 0.796,532 0.551,533 0.398,534 0.172,535 0.087,536 5148,537 14943,538 2.141,539 41,540 4,541 4,543 1,544 3,546 4,549 1.666,550 2,551 2.981,552 1.075,554 1,556 1,558 66.521,559 1.706,560 3.919,561 4.394,562 4.721,563 4.721,564 4.721,565 2.426,566 3.882,567 4.495,568 3.09,569 781.869,570 7.783,571 8530.29,572 1,573 1,574 1,575 1,576 206.131,577 1.422,578 4.454,579 0.154,580 0.01,581 0.082,582 0.048,583 0.045,584 0.023,585 0.017,586 0.016,587 0.012,588 0.012,589 0.419,590 0.33,591 1,592 0.58,593 104.348,594 -0.075,595 0.01,596 0.008,597 0.067,598 -0.114,599 0.06,600 0.078,601 -0.041,602 0.065,603 -0.022,604 0.117,605 0.005,606 0.065,607 -0.218,608 0.106,609 -0.052,610 0.165,611 0.029,612 -0.028,613 0.174,615 0.118,616 0.001,617 0.142,618 -0.196,619 0.024,620 -0.143,621 -0.013,622 -0.094,623 -0.095,624 -0.064,625 -0.129,626 -0.151,627 -0.224,628 -0.113,629 -0.268,630 0.152,631 -0.124,632 -0.041,633 -0.189,634 0.08,635 -0.23,636 0.088,637 0.056,638 0.135,639 0.024,640 -0.005,641 0.016,642 1.65,643 3.892,644 0.87,645 16.378,646 1.012,647 1.132,648 3.907,649 15.267,650 0.69,651 3.296,652 3.664,653 4.007,654 4.331,655 4.575,656 4.754,657 4.913,658 5.056,659 5.075,660 5.004,661 4.871,662 0.662,663 329.82,664 3.296,665 4.86,666 5.746,667 6.655,668 7.565,669 8.484,670 9.403,671 10.327,672 11.25,673 12.177,674 12.8,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 39,718 16,719 1,720 26,722 42,723 16,724 11,725 3,726 3,728 4,729 5,730 1,735 5,738 5,740 11,741 5,756 1,757 1,760 16,761 5,762 3,763 7,764 1,769 5,775 0.75,776 1,785 1,788 1,793 2,794 2,797 1,819 3,824 1,827 23,828 1,832 1,833 4,837 1,849 1,850 2.6,852 1,858 11.5,859 6.893,860 4.944,861 2.449,863 3.077,864 1.423,865 1.001,866 3.623,867 10.352,868 3.555,869 4.23,870 4.912,871 5.581,872 6.169,873 6.598,874 7.058,875 7.518,876 7.792,877 8.05,878 1,879 38,880 8.484,881 3.743,882 7.766,883 16.223,884 13.917,885 2.266,886 52.111,890 153.024,891 63.245,892 84.908,893 39.149,894 42.683,897 63.245,898 234.856,899 84.908,901 10.138,902 61.326,903 106.404,904 22.411,905 2.328,906 141.253,907 39.149,908 153.024,909 148.152,910 42.683,911 39.149,913 105.94,914 89.768,917 25.005,918 72.913,919 89.383,921 153.024,922 127.591,923 102.393,926 153.024,927 26.197,928 38.824,930 164.963,931 153.024,932 127.591,933 102.393,935 0.592,936 0.36,937 0.199,938 0.109,939 21,940 9,941 0.048,942 2,943 1,944 1.1,945 3.435,946 200.199,947 0.1,948 20,949 100.042,954 14.729,955 5.658,956 2.442,957 1.468,958 125.815,959 6.519,960 13.245,964 2.136,965 1.96,966 75.581,967 383.009,968 34,980 39.462,981 44.136,983 0.323,984 0.742,985 0.831,986 0.893,987 0.893,988 0.893,989 4.812,990 1.342,991 5.753,992 3.533,993 4.344,994 4.916,996 6.629,997 4.239,998 6.045,999 1.035,1000 7.352,1001 3.509,1002 4.007,1003 4.856,1005 7.656,1006 3.819,1007 7.381,1008 0.683,1009 9.054,1010 2.565,1011 5.994,1012 7.227,1014 10.82,1015 5.803,1016 8.759,1017 0.618,1018 10.818,1019 1.743,1020 6.509,1021 8.038,1023 12.708,1024 6.25,1025 10.173,1026 0.103,1027 12.62,1028 1.372,1029 7.965,1030 9.89,1032 15.401,1033 7.694,1034 11.613,1035 -0.292,1036 14.45,1037 0.227,1038 8.854,1039 11.1,1041 17.641,1042 8.53,1043 13.074,1044 -0.595,1045 16.3,1046 -0.683,1047 10.123,1048 12.756,1050 20.188,1051 9.777,1052 3.347,1053 -0.795,1054 18.166,1055 -1.604,1056 11.177,1057 14.151,1059 22.576,1060 10.789,1061 2.843,1062 12.146,1063 20.044,1064 -2.197,1065 12.383,1066 15.733,1068 25.08,1069 11.967,1070 2.651,1071 9.314,1072 21.932,1073 4.733,1074 13.512,1075 17.212,1077 27.529,1078 13.058,1079 2.324,1080 8.322,1081 23.828,1082 3.88,1083 14.702,1084 18.768,1086 30.022,1087 14.216,1088 1.994,1089 7.318,1090 25.732,1091 3.243,1092 15.865,1093 20.285,1095 32.497,1096 15.345,1097 1.513,1098 5.689,1099 27.642,1100 3.086,1101 17.054,1102 21.834,1104 34.989,1105 16.5,1106 1.414,1107 4.136,1108 29.558,1109 2.365,1110 18.235,1111 23.369,1113 37.476,1114 17.646,1115 4917,1116 8525,1117 17.512,1118 26.909,1119 39.656,1120 40.399,1121 41.079,1122 39.853,1123 39.736,1124 52.237,1126 119.749,1127 37.462,1128 5.665,1129 5.394,1130 6.646,1131 5.385,1132 5.347,1133 7.733,1135 19.683,1136 5.224,1137 10.157,1138 1.525,1139 1.554,1140 1.58,1141 1.533,1142 1.528,1143 2.009,1145 4.606,1146 1.441,1147 4.144,1148 4.191,1149 4.137,1150 4.006,1151 6.471,1152 4.027,1153 3.861,1154 3.892,1155 3.951,1156 3.776,1157 5.254,1158 3.775,1159 3.774,1160 3.822,1161 3.667,1162 3.655,1163 4.891,1164 3.652,1165 3.286,1166 3.374,1167 3.358,1168 3.03,1169 4.809,1170 3.065,1171 3.04,1172 3.121,1173 3.147,1174 2.841,1175 4.518,1176 2.855,1177 2.932,1178 2.979,1179 2.879,1180 2.746,1181 4.262,1182 2.748,1183 2.869,1184 2.975,1185 2.804,1186 2.671,1187 4.115,1188 2.637,1189 2.856,1190 2.94,1191 2.583,1192 2.626,1193 3.681,1194 2.635,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.763,1201 0.182,1202 3.394,1204 7.05,1205 0.467,1206 4.31,1207 0.124,1208 3.347,1209 4.733,1211 12.146,1212 3.224,1213 1.924,1214 1.907,1215 1.978,1216 2.03,1217 1.243,1218 2.011,1219 1.786,1220 1.743,1221 1.888,1222 1.961,1223 1.211,1224 1.946,1225 1.586,1226 1.53,1227 1.86,1228 1.774,1229 1.114,1230 1.793,1231 1.577,1232 1.507,1233 1.742,1234 1.751,1235 0.837,1236 1.771,1237 1.135,1238 1.086,1239 1.242,1240 1.379,1241 0.282,1242 1.354,1243 0.883,1244 0.839,1245 1.15,1246 1.221,1247 0.148,1248 1.203,1249 0.874,1250 0.785,1251 1.108,1252 1.133,1253 0.094,1254 1.13,1255 0.761,1256 0.672,1257 0.995,1258 1.052,1259 0.081,1260 1.046,1261 3.97,1263 5.323,1264 3.045,1265 6.872,1266 5.352,1267 8.515,1268 7.455,1269 10.209,1272 5.901,1275 6.081,1276 9.892,1277 4.575,1281 0.335,1289 25.81,1290 66.521,1291 152.846,1292 171.376,1293 184.131,1294 184.131,1295 184.131,1296 35.271,1297 7.274,1298 89.85,1299 89.85,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.543,1305 66,1306 69,1307 0.24,1308 160.483,1309 263.74,1310 383.339,1311 12138,1312 2.6,1313 15.974,1314 0.695,1315 0.572,1316 16.474,1317 13.162,1318 11.148,1319 0.429,1320 0.308,1321 7.561,1322 10.477,1323 7.418,1324 6.097,1325 11.437,1326 8.003,1327 10.285,1328 0.271,1329 0.165,1330 10.656,1331 6.262,1332 9.187,1333 0.17,1334 0.088,1335 9.615,1336 4.728,1337 7.78,1338 0.104,1339 0.045,1340 7.931,1341 3.378,1342 6.179,1343 0.064,1344 0.021,1345 6.374,1346 2.038,1347 0.357,1348 72.783,1349 0.239,1350 21.849,1351 0.724,1352 128,1353 358.246,1354 155.059,1355 382.408,1356 523.29,1357 356,1358 156,1359 380.186,1360 181.315,1361 393.016,1362 582.7,1363 371,1364 7.745}
{0 CHEMBL1241677,1 1.755,2 7.87,3 1.609,4 2.59,5 89.187,6 8.706,7 0.615,8 3.794,9 3.919,10 3.486,11 3.311,12 4.965,13 3.319,14 4.308,15 4.473,16 3.898,17 3.736,18 5.433,19 3.723,20 4.56,21 4.767,22 3.986,23 3.827,24 5.694,25 3.788,26 4.543,27 4.767,28 3.885,29 3.775,30 5.676,31 3.74,32 4.45,33 4.651,34 3.794,35 3.748,36 5.567,37 3.713,38 4.445,39 4.634,40 3.809,41 3.744,42 5.585,43 3.694,44 4.525,45 4.761,46 3.71,47 3.674,48 5.69,49 3.57,50 4.414,51 4.701,52 3.39,53 3.386,54 5.444,55 3.226,56 0.131,57 0.635,58 6.352,59 2.894,60 13.226,61 3.536,62 0.247,63 1.005,64 12.413,65 5.035,66 20.708,67 6.483,68 0.449,69 1.142,70 21.348,71 6.671,72 41.485,73 8.873,74 0.498,75 1.131,76 22.713,77 6.378,78 42.885,79 8.612,80 0.379,81 1.092,82 15.405,83 5.272,84 33.481,85 7.048,86 0.333,87 1.053,88 15.378,89 5.608,90 30.196,91 7.478,92 0.506,93 0.989,94 20.584,95 6.643,96 56.434,97 9.26,98 0.52,99 0.709,100 24.146,101 6.347,102 59.172,103 8.988,104 10,105 38,106 0.313,107 0.742,108 0.856,109 0.897,110 0.897,111 0.897,112 3.19,113 0.89,114 -4.13,115 -4.08,116 -3.86,118 39.5,120 1,124 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 6,172 1,173 1,175 3,178 4,180 1,181 1,182 4,184 1,186 3,188 5,191 2,192 6,194 3,195 4,197 2,199 3,201 1,204 5,206 2,208 4,211 1,213 2,215 4,218 1,220 3,223 3,225 2,228 1,231 3,232 2,233 2,234 2,235 1,240 2,245 3,249 1,256 1,260 1,264 674,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.702,271 16.289,272 9.039,273 16.095,274 12.821,275 12.821,276 12.821,277 12.821,278 12.821,279 9.901,280 17.243,281 4.272,282 13.646,283 3.493,284 1.083,285 0.441,286 0.211,287 0.211,288 0.211,289 3.884,290 1,292 1,293 1,294 1,295 398,296 2.121,299 92.649,300 116.507,303 82.153,307 1.115,308 25.428,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 50.333,320 181,321 4.763,322 3.396,323 7.05,324 4.31,325 3.347,326 4.733,327 0.4,328 12.146,329 3.223,330 4.218,331 3.179,332 6.261,333 3.788,334 2.843,335 3.88,337 9.314,338 2.686,339 3.878,340 2.813,341 5.971,342 3.599,343 2.651,344 3.243,346 8.322,347 2.502,348 3.68,349 2.456,350 5.68,351 3.257,352 2.324,353 3.086,355 7.318,356 2.121,357 3.239,358 2.118,359 5.078,360 2.933,361 1.994,362 2.365,364 5.689,365 1.868,366 2.996,367 1.88,368 4.469,369 2.445,370 1.513,371 2.231,373 4.136,374 1.407,375 2.82,376 1.563,377 4.235,378 2.347,379 1.414,380 1.948,382 3.533,383 1.282,384 2.638,385 1.518,386 4.038,387 2.278,388 1.342,389 1.684,391 3.509,392 1.251,393 2.442,394 1.087,395 3.662,396 1.962,397 1.035,398 1.423,400 2.565,401 0.948,402 1.857,403 0.812,404 3.249,405 1.637,406 0.683,407 0.784,409 1.743,410 0.647,411 1.618,412 0.754,413 3,414 1.58,415 0.618,416 0.618,417 1.372,418 0.593,419 1.371,420 0.584,421 2.736,422 0.925,423 0.103,424 0.124,425 0.227,426 0.072,427 1.057,428 -0.144,429 2.462,430 0.618,431 -0.292,432 -0.371,433 -0.683,434 -0.265,435 0.781,436 -0.283,437 2.375,438 0.35,439 -0.595,440 -0.769,441 -1.604,442 -0.539,443 0.626,444 -0.687,445 2.333,446 0.125,447 -0.795,448 -1.041,449 -2.197,450 -0.701,451 10.948,452 0.476,453 0.61,454 0.027,455 31,456 1.348,457 15,458 0.652,459 16,460 0.696,461 17.448,462 0.759,463 24.452,464 0.643,465 21.643,466 0.941,467 5.96,468 0.259,469 5.188,470 0.226,471 0.132,473 0.402,478 0.93,479 1.261,480 0.605,481 0.854,482 0.969,483 0.789,484 0.781,485 1.147,486 0.652,487 0.893,488 0.577,489 0.856,490 0.89,491 1.152,492 0.824,493 0.985,494 0.711,495 0.93,496 0.954,497 0.876,498 0.938,499 0.85,500 0.854,501 0.837,502 0.992,503 1.112,504 0.775,505 0.909,506 0.829,507 0.992,508 0.875,509 1.304,510 0.851,511 1.181,512 0.952,513 1.197,514 0.716,515 1.028,516 0.891,517 1.122,518 0.867,519 1.196,520 1.008,521 0.742,522 0.932,523 0.947,524 1.195,525 1.008,526 4,527 0.02,528 3.111,529 1.819,530 1.647,531 0.796,532 0.551,533 0.398,534 0.172,535 0.087,536 5148,537 15945,538 2.141,539 39.5,541 8,543 1,544 4,547 2,549 1.666,550 2,551 2.981,552 1.908,553 1,554 1,556 1,558 66.705,559 1.755,560 4.165,561 4.807,562 5.037,563 5.037,564 5.037,565 2.426,566 3.882,567 4.495,568 3.09,569 781.869,570 7.783,571 8530.29,572 1,573 1,575 1,576 199.421,577 1.422,578 4.454,579 0.154,580 0.01,581 0.082,582 0.048,583 0.045,584 0.023,585 0.017,586 0.016,587 0.012,588 0.012,589 0.419,590 0.33,591 1,592 0.58,593 104.348,594 -0.13,595 -0.041,597 0.07,598 -0.156,599 0.067,600 -0.016,601 0.006,602 0.041,603 0.034,604 0.06,605 0.04,606 0.024,607 -0.134,608 0.066,609 -0.033,610 0.127,611 0.021,612 -0.016,613 0.15,614 -0.025,615 0.075,616 -0.006,617 0.099,618 -0.16,619 -0.003,620 -0.13,621 -0.032,622 -0.076,623 -0.106,624 -0.064,625 -0.22,626 -0.135,627 -0.263,628 -0.111,629 -0.284,630 0.185,631 -0.073,632 -0.016,633 -0.174,634 0.113,635 -0.216,636 0.058,637 0.038,638 0.168,639 0.064,640 -0.003,641 0.07,642 1.662,643 3.882,644 0.87,645 16.378,646 1.018,647 1.137,648 2.905,649 8.439,650 0.688,651 3.296,652 3.664,653 4.007,654 4.331,655 4.575,656 4.754,657 4.913,658 5.056,659 5.075,660 5.004,661 4.871,662 0.666,663 330.81,664 3.296,665 4.86,666 5.746,667 6.655,668 7.565,669 8.484,670 9.403,671 10.327,672 11.25,673 12.177,674 15.8,676 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 38,718 16,719 1,720 26,722 41,723 15,724 11,725 3,726 3,728 4,729 5,730 1,735 2,738 2,740 11,741 4,756 1,757 1,760 15,761 6,762 4,763 8,764 1,769 6,775 0.75,776 1,785 1,788 1,790 1,793 2,794 2,797 1,815 1,819 3,824 1,827 23,828 1,832 1,833 3,834 1,837 1,849 1,850 2.6,852 1,858 11.5,859 6.643,860 4.944,861 2.199,863 3.077,864 1.423,865 1.006,866 3.6,867 10.352,868 3.555,869 4.23,870 4.912,871 5.581,872 6.169,873 6.598,874 7.058,875 7.518,876 7.792,877 8.05,878 1,879 38,880 8.467,881 3.733,882 7.809,883 16.039,884 13.617,885 2.309,886 53.111,890 129.482,891 59.852,892 102.919,893 39.149,894 42.683,897 59.852,898 211.314,899 102.919,901 6.746,902 79.337,903 106.404,904 22.411,905 2.328,906 117.711,907 39.149,908 129.482,909 162.771,910 42.683,911 39.149,913 105.94,914 66.226,917 39.624,918 72.913,919 89.383,921 129.482,922 145.602,923 99.001,926 129.482,927 22.805,928 38.824,929 18.011,930 164.963,931 129.482,932 145.602,933 99.001,935 0.592,936 0.36,937 0.199,938 0.109,939 21,940 9,941 0.049,942 2,943 1,944 1.1,945 3.435,946 200.199,947 0.1,948 20,949 104.042,954 14.693,955 5.636,956 2.431,957 1.4,958 143.825,959 6.455,960 13.161,964 2.045,965 1.897,966 93.591,967 374.085,968 34,980 38.68,981 43.219,983 0.334,984 0.794,985 0.916,986 0.96,987 0.96,988 0.96,989 4.812,990 1.342,991 5.753,992 3.533,993 4.344,994 4.916,995 0.278,996 6.629,997 4.227,998 6.045,999 1.035,1000 7.352,1001 3.509,1002 4.007,1003 4.856,1005 7.656,1006 3.819,1007 7.381,1008 0.683,1009 9.054,1010 2.565,1011 5.994,1012 7.227,1013 0.05,1014 10.82,1015 5.789,1016 8.759,1017 0.618,1018 10.818,1019 1.743,1020 6.509,1021 8.038,1023 12.708,1024 6.244,1025 10.173,1026 0.103,1027 12.62,1028 1.372,1029 7.965,1030 9.89,1031 0.008,1032 15.401,1033 7.681,1034 11.613,1035 -0.292,1036 14.45,1037 0.227,1038 8.854,1039 11.1,1041 17.641,1042 8.522,1043 13.074,1044 -0.595,1045 16.3,1046 -0.683,1047 10.123,1048 12.756,1049 0.001,1050 20.188,1051 9.765,1052 3.347,1053 -0.795,1054 18.166,1055 -1.604,1056 11.177,1057 14.151,1059 22.576,1060 10.78,1061 2.843,1062 12.146,1063 20.044,1064 -2.197,1065 12.383,1066 15.733,1068 25.08,1069 11.957,1070 2.651,1071 9.314,1072 21.932,1073 4.733,1074 13.512,1075 17.212,1077 27.529,1078 13.05,1079 2.324,1080 8.322,1081 23.828,1082 3.88,1083 14.702,1084 18.768,1086 30.022,1087 14.208,1088 1.994,1089 7.318,1090 25.732,1091 3.243,1092 15.865,1093 20.285,1095 32.497,1096 15.337,1097 1.513,1098 5.689,1099 27.642,1100 3.086,1101 17.054,1102 21.834,1104 34.989,1105 16.492,1106 1.414,1107 4.136,1108 29.558,1109 2.365,1110 18.235,1111 23.369,1113 37.476,1114 17.639,1115 4917,1116 8777,1117 17.512,1118 26.154,1119 39.656,1120 40.612,1121 41.079,1122 39.794,1123 39.736,1124 52.237,1125 0.8,1126 119.749,1127 37.199,1128 5.665,1129 5.396,1130 6.646,1131 5.387,1132 5.347,1133 7.733,1134 0.8,1135 19.683,1136 5.223,1137 10.157,1138 1.525,1139 1.562,1140 1.58,1141 1.531,1142 1.528,1143 2.009,1144 0.031,1145 4.606,1146 1.431,1147 4.142,1148 4.19,1149 4.136,1150 4.002,1151 6.471,1152 4.023,1153 3.853,1154 3.883,1155 3.951,1156 3.758,1157 5.255,1158 3.764,1159 3.748,1160 3.809,1161 3.644,1162 3.586,1163 4.892,1164 3.589,1165 3.275,1166 3.365,1167 3.358,1168 3.023,1169 4.809,1170 3.055,1171 3.034,1172 3.12,1173 3.136,1174 2.807,1175 4.524,1176 2.829,1177 2.931,1178 2.976,1179 2.878,1180 2.746,1181 4.349,1182 2.748,1183 2.862,1184 2.962,1185 2.804,1186 2.627,1187 4.171,1188 2.636,1189 2.811,1190 2.902,1191 2.574,1192 2.611,1193 3.683,1194 2.587,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.763,1201 0.182,1202 3.396,1203 0.015,1204 7.05,1205 0.467,1206 4.31,1207 0.124,1208 3.347,1209 4.733,1210 0.4,1211 12.146,1212 3.223,1213 1.924,1214 1.907,1215 1.978,1216 2.03,1217 1.241,1218 2.011,1219 1.785,1220 1.742,1221 1.886,1222 1.961,1223 1.114,1224 1.945,1225 1.585,1226 1.528,1227 1.756,1228 1.773,1229 0.94,1230 1.773,1231 1.423,1232 1.33,1233 1.684,1234 1.704,1235 0.826,1236 1.71,1237 1.127,1238 1.077,1239 1.236,1240 1.374,1241 0.267,1242 1.347,1243 0.883,1244 0.839,1245 1.15,1246 1.221,1247 0.143,1248 1.202,1249 0.87,1250 0.777,1251 1.107,1252 1.133,1253 0.087,1254 1.13,1255 0.755,1256 0.668,1257 0.98,1258 1.047,1260 1.039,1261 3.97,1263 5.323,1264 3.045,1265 6.872,1266 5.352,1267 8.515,1268 7.455,1269 10.209,1272 5.893,1275 6.066,1276 9.882,1277 2.766,1278 3.323,1281 0.224,1289 25.305,1290 66.705,1291 158.26,1292 182.666,1293 191.421,1294 191.421,1295 191.421,1296 34.865,1297 7.274,1298 101.88,1299 101.88,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.543,1305 66,1306 69,1307 0.24,1308 157.685,1309 257.44,1310 376.512,1311 12138,1312 2.6,1313 15.974,1314 0.695,1315 0.563,1316 16.474,1317 12.955,1318 11.148,1319 0.429,1320 0.297,1321 7.244,1322 10.402,1323 7.116,1324 5.83,1325 11.437,1326 7.71,1327 10.285,1328 0.271,1329 0.157,1330 10.656,1331 5.971,1332 9.187,1333 0.17,1334 0.082,1335 9.615,1336 4.437,1337 7.78,1338 0.104,1339 0.041,1340 7.931,1341 3.078,1342 6.179,1343 0.064,1344 0.02,1345 6.374,1346 1.923,1347 0.357,1348 73.283,1349 0.239,1350 21.849,1351 0.724,1352 128,1353 372.579,1354 156.447,1355 394.984,1356 538.93,1357 368,1358 156,1359 389.313,1360 182.841,1361 401.884,1362 595.54,1363 379,1364 6.33}
{0 CHEMBL1241678,1 1.817,2 7.87,3 1.876,4 3.518,5 87.506,6 8.967,7 0.615,8 3.777,9 3.884,10 3.493,11 3.289,12 4.969,13 3.309,14 4.295,15 4.438,16 3.902,17 3.703,18 5.449,19 3.707,20 4.508,21 4.691,22 3.987,23 3.791,24 5.687,25 3.768,26 4.506,27 4.714,28 3.89,29 3.753,30 5.675,31 3.728,32 4.432,33 4.621,34 3.802,35 3.722,36 5.573,37 3.699,38 4.415,39 4.592,40 3.814,41 3.708,42 5.581,43 3.672,44 4.504,45 4.726,46 3.722,47 3.628,48 5.712,49 3.542,50 4.365,51 4.63,52 3.39,53 3.316,54 5.425,55 3.18,56 0.15,57 0.594,58 5.656,59 2.961,60 14.454,61 3.316,62 0.343,63 0.938,64 11.896,65 5.145,66 25.822,67 5.915,68 0.536,69 1.082,70 19.109,71 6.289,72 42.733,73 7.728,74 0.54,75 1.097,76 20.951,77 6.161,78 43.999,79 7.938,80 0.44,81 1.046,82 14.422,83 5.281,84 35.328,85 6.632,86 0.374,87 0.998,88 14.064,89 5.559,90 31.185,91 6.924,92 0.608,93 0.932,94 19.863,95 6.568,96 61.845,97 8.715,98 0.605,99 0.647,100 23.354,101 6.407,102 61.962,103 8.429,104 10,105 38,106 0.325,107 0.747,108 0.852,109 0.894,110 0.894,111 0.894,112 3.19,113 0.875,114 -4.13,115 -4.08,116 -3.86,118 40.5,120 1,124 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 1,175 2,178 4,180 1,181 2,182 4,186 3,188 5,191 3,192 6,194 3,195 3,197 2,199 3,201 1,203 1,204 6,206 1,208 3,211 1,213 2,215 5,218 1,220 2,223 3,225 2,227 1,228 3,230 1,231 3,232 1,234 1,235 1,240 3,245 2,249 1,255 1,260 1,264 674,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.702,271 14.553,272 9.039,273 16.165,274 12.821,275 12.821,276 12.821,277 12.821,278 12.821,279 9.901,280 12.608,281 4.272,282 13.748,283 3.392,284 1.038,285 0.453,286 0.216,287 0.216,288 0.216,289 3.884,290 1,292 1,293 1,294 1,295 398,296 2.121,299 92.649,300 116.507,303 82.153,307 1.115,308 27.443,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 50.833,320 181,321 4.763,322 3.4,323 7.05,324 4.31,325 3.347,326 4.733,327 0.86,328 12.146,329 3.222,330 4.218,331 3.181,332 6.261,333 3.787,334 2.843,335 3.88,337 9.314,338 2.68,339 3.878,340 2.865,341 5.971,342 3.594,343 2.651,344 3.243,346 8.322,347 2.49,348 3.68,349 2.46,350 5.68,351 3.256,352 2.324,353 3.086,355 7.318,356 2.121,357 3.239,358 2.271,359 5.078,360 2.92,361 1.994,362 2.365,364 5.689,365 1.841,366 2.996,367 1.882,368 4.469,369 2.445,370 1.513,371 2.231,373 4.136,374 1.406,375 2.82,376 1.688,377 4.235,378 2.347,379 1.414,380 1.948,382 3.533,383 1.28,384 2.638,385 1.529,386 4.038,387 2.253,388 1.342,389 1.684,391 3.509,392 1.216,393 2.442,394 1.091,395 3.662,396 1.958,397 1.035,398 1.423,400 2.565,401 0.942,402 1.857,403 0.939,404 3.249,405 1.617,406 0.683,407 0.784,409 1.743,410 0.63,411 1.618,412 0.87,413 3,414 1.537,415 0.618,416 0.618,417 1.372,418 0.563,419 1.371,420 0.587,421 2.736,422 0.925,423 0.103,424 0.124,425 0.227,426 0.072,427 1.057,428 -0.139,429 2.462,430 0.617,431 -0.292,432 -0.371,433 -0.683,434 -0.265,435 0.781,436 -0.282,437 2.375,438 0.35,439 -0.595,440 -0.769,441 -1.604,442 -0.539,443 0.626,444 -0.628,445 2.333,446 0.122,447 -0.795,448 -1.041,449 -2.197,450 -0.699,451 10.881,452 0.473,453 0.61,454 0.027,455 31,456 1.348,457 15,458 0.652,459 16,460 0.696,461 17.307,462 0.752,463 24.519,464 0.663,465 21.785,466 0.947,467 6.017,468 0.262,469 5.131,470 0.223,471 0.133,473 0.404,478 0.902,479 1.237,480 0.581,481 0.899,482 0.968,483 0.797,484 0.999,485 1.099,486 0.666,487 0.852,488 0.685,489 0.816,490 0.939,491 1.215,492 0.867,493 0.981,494 0.777,495 0.947,496 0.851,497 0.919,498 0.957,499 0.886,500 0.845,501 0.876,502 0.909,503 1.105,504 0.757,505 0.912,506 0.8,507 0.99,508 0.846,509 1.28,510 0.832,511 1.184,512 0.938,513 1.189,514 0.757,515 0.998,516 0.885,517 1.092,518 0.859,519 1.173,520 1.134,521 0.704,522 0.945,523 0.937,524 1.222,525 0.992,526 4,527 0.02,528 3.111,529 1.819,530 1.647,531 0.796,532 0.551,533 0.398,534 0.172,535 0.087,536 5148,537 16947,538 2.141,539 37.8,541 8,543 1,544 3,547 2,549 1.666,550 2,551 2.981,552 1.118,553 1,554 1,556 1,558 67.234,559 1.817,560 4.171,561 4.757,562 4.993,563 4.993,564 4.993,565 2.426,566 3.882,567 4.495,568 3.09,569 781.869,570 7.783,571 8530.29,572 1,573 1,575 1,576 192.75,577 1.422,578 4.454,579 0.154,580 0.01,581 0.082,582 0.048,583 0.045,584 0.023,585 0.017,586 0.016,587 0.012,588 0.012,589 0.419,590 0.5,591 1,592 0.58,593 104.348,594 -0.113,595 -0.048,596 0.005,597 0.024,598 -0.161,599 0.046,600 -0.099,601 0.011,602 0.03,603 0.078,604 0.002,605 0.065,606 -0.026,607 -0.179,608 0.015,609 -0.039,610 0.074,611 -0.018,612 -0.006,613 0.139,614 -0.057,615 0.03,616 -0.015,617 0.054,618 -0.112,619 0.001,620 -0.115,621 -0.037,622 -0.056,623 -0.102,624 -0.058,625 -0.202,626 -0.118,627 -0.271,628 -0.105,629 -0.279,630 0.185,631 -0.055,632 0.01,633 -0.141,634 0.137,635 -0.182,636 0.013,637 0.046,638 0.203,639 0.1,640 -0.003,641 0.122,642 1.675,643 3.872,644 0.87,645 16.378,646 1.024,647 1.133,648 2.905,649 8.439,650 0.692,651 3.296,652 3.664,653 4.007,654 4.331,655 4.575,656 4.754,657 4.913,658 5.056,659 5.075,660 5.004,661 4.871,662 0.676,663 331.79,664 3.296,665 4.86,666 5.746,667 6.655,668 7.565,669 8.484,670 9.403,671 10.327,672 11.25,673 12.177,674 13.5,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 37,718 16,719 1,720 26,722 40,723 15,724 11,725 3,726 3,728 4,729 5,730 1,735 2,738 2,740 11,741 4,756 1,757 1,760 14,761 6,762 3,763 8,764 1,769 5,775 0.75,776 2,781 1,785 1,788 1,793 2,794 2,797 1,818 1,819 3,824 1,827 23,828 1,832 1,833 3,835 1,837 1,849 1,850 5.4,852 1,854 1,858 11.5,859 6.56,860 4.944,861 2.116,863 3.077,864 1.423,865 0.994,866 3.6,867 10.352,868 3.555,869 4.23,870 4.912,871 5.581,872 6.169,873 6.598,874 7.058,875 7.518,876 7.792,877 8.05,878 1,879 38,880 8.467,881 3.734,882 7.853,883 15.941,884 13.457,885 2.353,886 54.111,890 129.482,891 64.826,892 84.908,893 39.149,894 53.683,897 64.826,898 222.314,899 84.908,901 11.719,902 61.326,903 117.404,904 22.411,905 2.328,906 117.711,907 39.149,908 129.482,909 149.734,910 53.683,911 39.149,913 105.94,914 66.226,915 11,917 26.587,918 72.913,919 89.383,921 129.482,922 138.591,923 103.974,926 129.482,927 27.778,928 38.824,930 175.963,931 129.482,932 138.591,933 103.974,935 0.592,936 0.36,937 0.199,938 0.109,939 21,940 9,941 0.05,942 2,943 1,944 1.1,945 3.435,946 200.199,947 0.1,948 20,949 104.042,954 14.693,955 5.636,956 2.431,957 1.332,958 136.814,959 6.391,960 13.078,964 1.954,965 1.835,966 75.581,967 372.048,968 34,980 37.905,981 41.93,983 0.349,984 0.801,985 0.913,986 0.958,987 0.958,988 0.958,989 4.812,990 1.342,991 5.753,992 3.533,993 4.344,994 4.916,995 0.908,996 6.629,997 4.217,998 6.045,999 1.035,1000 7.352,1001 3.509,1002 4.007,1003 4.856,1005 7.656,1006 3.819,1007 7.381,1008 0.683,1009 9.054,1010 2.565,1011 5.994,1012 7.227,1013 0.739,1014 10.82,1015 5.776,1016 8.759,1017 0.618,1018 10.818,1019 1.743,1020 6.509,1021 8.038,1023 12.708,1024 6.239,1025 10.173,1026 0.103,1027 12.62,1028 1.372,1029 7.965,1030 9.89,1031 0.593,1032 15.401,1033 7.67,1034 11.613,1035 -0.292,1036 14.45,1037 0.227,1038 8.854,1039 11.1,1041 17.641,1042 8.515,1043 13.074,1044 -0.595,1045 16.3,1046 -0.683,1047 10.123,1048 12.756,1049 0.469,1050 20.188,1051 9.756,1052 3.347,1053 -0.795,1054 18.166,1055 -1.604,1056 11.177,1057 14.151,1059 22.576,1060 10.773,1061 2.843,1062 12.146,1063 20.044,1064 -2.197,1065 12.383,1066 15.733,1067 0.366,1068 25.08,1069 11.949,1070 2.651,1071 9.314,1072 21.932,1073 4.733,1074 13.512,1075 17.212,1077 27.529,1078 13.043,1079 2.324,1080 8.322,1081 23.828,1082 3.88,1083 14.702,1084 18.768,1085 0.283,1086 30.022,1087 14.2,1088 1.994,1089 7.318,1090 25.732,1091 3.243,1092 15.865,1093 20.285,1095 32.497,1096 15.33,1097 1.513,1098 5.689,1099 27.642,1100 3.086,1101 17.054,1102 21.834,1103 0.217,1104 34.989,1105 16.486,1106 1.414,1107 4.136,1108 29.558,1109 2.365,1110 18.235,1111 23.369,1113 37.476,1114 17.633,1115 4917,1116 9029,1117 17.512,1118 25.602,1119 39.656,1120 40.962,1121 41.079,1122 39.743,1123 39.736,1124 52.237,1125 1.72,1126 119.749,1127 36.929,1128 5.665,1129 5.4,1130 6.646,1131 5.395,1132 5.347,1133 7.733,1134 1.72,1135 19.683,1136 5.222,1137 10.157,1138 1.525,1139 1.575,1140 1.58,1141 1.529,1142 1.528,1143 2.009,1144 0.066,1145 4.606,1146 1.42,1147 4.14,1148 4.185,1149 4.136,1150 4,1151 6.471,1152 4.022,1153 3.849,1154 3.87,1155 3.95,1156 3.754,1157 5.255,1158 3.761,1159 3.725,1160 3.77,1161 3.624,1162 3.551,1163 4.896,1164 3.559,1165 3.267,1166 3.349,1167 3.357,1168 3.02,1169 4.813,1170 3.052,1171 3.031,1172 3.118,1173 3.126,1174 2.799,1175 4.615,1176 2.82,1177 2.931,1178 2.976,1179 2.877,1180 2.746,1181 4.489,1182 2.748,1183 2.861,1184 2.958,1185 2.804,1186 2.626,1187 4.194,1188 2.636,1189 2.782,1190 2.845,1191 2.573,1192 2.596,1193 3.686,1194 2.575,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.763,1201 0.182,1202 3.4,1203 0.033,1204 7.05,1205 0.467,1206 4.31,1207 0.124,1208 3.347,1209 4.733,1210 0.86,1211 12.146,1212 3.222,1213 1.924,1214 1.907,1215 1.978,1216 2.03,1217 1.241,1218 2.011,1219 1.785,1220 1.742,1221 1.886,1222 1.96,1223 1.114,1224 1.944,1225 1.585,1226 1.528,1227 1.75,1228 1.773,1229 0.865,1230 1.772,1231 1.317,1232 1.264,1233 1.585,1234 1.618,1235 0.782,1236 1.609,1237 1.114,1238 1.069,1239 1.231,1240 1.362,1241 0.262,1242 1.336,1243 0.883,1244 0.839,1245 1.15,1246 1.221,1247 0.142,1248 1.202,1249 0.866,1250 0.773,1251 1.107,1252 1.132,1253 0.087,1254 1.13,1255 0.75,1256 0.665,1257 0.974,1258 1.041,1260 1.032,1261 3.97,1263 5.323,1264 3.045,1265 6.872,1266 5.352,1267 8.515,1268 7.455,1269 10.209,1272 5.885,1275 6.05,1276 9.872,1277 2.154,1279 5.448,1281 0.112,1289 24.998,1290 67.234,1291 154.343,1292 175.995,1293 184.75,1294 184.75,1295 184.75,1296 35.589,1297 7.274,1298 99.08,1299 99.08,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.543,1305 66,1306 69,1307 0.24,1308 154.887,1309 255.23,1310 369.684,1311 12138,1312 2.7,1313 15.974,1314 0.695,1315 0.559,1316 16.474,1317 12.864,1318 11.148,1319 0.429,1320 0.292,1321 7.099,1322 10.336,1323 6.975,1324 5.687,1325 11.437,1326 7.58,1327 10.285,1328 0.271,1329 0.154,1330 10.656,1331 5.841,1332 9.187,1333 0.17,1334 0.08,1335 9.615,1336 4.309,1337 7.78,1338 0.104,1339 0.039,1340 7.931,1341 2.945,1342 6.179,1343 0.064,1344 0.02,1345 6.374,1346 1.872,1347 0.357,1348 73.783,1349 0.239,1350 21.849,1351 0.724,1352 128,1353 401.981,1354 157.938,1355 415.57,1356 562.73,1357 388,1358 156,1359 399.822,1360 184.36,1361 411.151,1362 609.98,1363 387,1364 6.592}
{0 CHEMBL1241679,1 1.489,2 7.286,3 2.305,4 5.313,5 82.301,6 7.953,7 0.696,8 3.671,9 3.804,10 3.298,11 3.221,12 4.905,13 3.217,14 4.149,15 4.332,16 3.662,17 3.591,18 5.275,19 3.574,20 4.354,21 4.558,22 3.743,23 3.706,24 5.5,25 3.68,26 4.444,27 4.676,28 3.74,29 3.715,30 5.624,31 3.675,32 4.356,33 4.568,34 3.589,35 3.667,36 5.481,37 3.613,38 4.309,39 4.512,40 3.511,41 3.617,42 5.504,43 3.545,44 4.39,45 4.665,46 3.184,47 3.49,48 5.471,49 3.35,50 4.156,51 4.491,52 2.692,53 3.129,54 5.201,55 2.913,56 0.053,57 0.586,58 6.198,59 2.636,60 10.772,61 3.453,62 0.142,63 0.897,64 11.591,65 4.445,66 17.702,67 6.099,68 0.161,69 1.064,70 14.936,71 5.05,72 20.165,73 7.104,74 0.308,75 1.125,76 17.548,77 5.501,78 39.303,79 7.855,80 0.193,81 1.034,82 15.133,83 4.841,84 27.468,85 6.759,86 0.152,87 0.982,88 14.019,89 4.995,90 29.898,91 6.928,92 0.248,93 0.928,94 18.318,95 5.736,96 40.993,97 8.456,98 0.222,99 0.637,100 16.871,101 5.713,102 48.793,103 8.731,104 21,105 33,106 0.268,107 0.691,108 0.782,109 0.823,110 0.823,111 0.823,112 3.105,113 0.862,114 -4.3,115 -4.24,116 -4,118 42.9,119 2,126 1,138 4,139 3,142 1,143 1,144 1,153 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 8,172 1,173 1,175 1,178 8,180 1,181 1,182 7,188 5,191 2,192 10,194 3,195 3,197 1,199 4,201 1,204 8,208 2,211 3,213 2,214 1,215 8,220 4,223 4,225 4,227 1,228 2,233 1,235 4,237 1,239 2,242 1,243 1,247 2,252 2,264 538,265 14.146,266 14.146,267 14.146,268 14.146,269 14.146,270 12.224,271 12.811,272 8.188,273 14.417,274 11.277,275 11.277,276 11.277,277 11.277,278 11.277,279 8.227,280 9.844,281 3.764,282 11.718,283 3.64,284 1.293,285 0.786,286 0.557,287 0.557,288 0.557,289 3.781,292 1,293 1,294 1,295 323,296 2.739,299 39.203,300 107.011,303 75.153,307 1.061,308 18.167,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 45,320 153,321 4.759,322 4.058,323 7.039,324 4.3,325 3.336,326 4.731,327 2.035,328 12.085,329 3.217,330 4.144,331 3.373,332 6.158,333 3.701,334 2.72,335 3.754,337 8.894,338 2.668,339 3.811,340 2.749,341 5.793,342 3.455,343 2.498,344 3.205,346 7.753,347 2.387,348 3.693,349 2.585,350 5.257,351 3.18,352 2.207,353 3,355 6.515,356 2.145,357 3.173,358 2.218,359 4.818,360 2.683,361 1.742,362 2.283,364 4.817,365 1.636,366 3.02,367 1.819,368 4.408,369 2.478,370 1.525,371 2.133,373 4.02,374 1.451,375 2.843,376 1.525,377 3.859,378 2.198,379 1.225,380 1.818,382 2.807,383 1.19,384 2.625,385 1.224,386 3.521,387 1.964,388 1,389 1.438,391 2.528,392 0.962,393 2.457,394 1,395 3.446,396 1.739,397 0.779,398 1.012,400 1.979,401 0.746,402 2.111,403 0.815,404 2.717,405 1.372,406 0.427,407 0.865,409 0.621,410 0.402,411 1.062,412 -0.05,413 2.582,414 0.631,415 -0.286,416 -0.363,417 -0.667,418 -0.261,419 0.886,420 -0.152,421 2.416,422 0.397,423 -0.577,424 -0.805,425 -1.358,426 -0.562,427 0.729,428 -0.609,429 2.252,430 0.187,431 -0.786,432 -1,433 -2,434 -0.758,435 0.562,436 -0.813,437 2,438 0.064,439 -0.881,440 -1.151,441 -2.003,442 -0.836,443 0.163,444 -1,445 1.672,447 -1,448 -1.285,449 -2.467,450 -1,451 9.9,452 0.471,453 0.559,454 0.027,455 31.25,456 1.488,457 17.5,458 0.833,459 13.75,460 0.655,461 14.194,462 0.676,463 21.3,464 0.609,465 20.961,466 0.998,467 5.932,468 0.282,469 4.181,470 0.199,471 0.182,473 0.394,478 0.84,479 1.205,480 0.735,481 0.98,482 0.719,483 0.866,484 0.711,485 1.025,486 0.667,487 0.871,488 0.436,489 0.782,490 1.094,491 1.185,492 0.869,493 0.96,494 0.635,495 0.893,496 1.039,497 0.882,498 0.913,499 0.834,500 0.953,501 0.849,502 1.42,503 1.114,504 1.206,505 1.046,506 0.928,507 1.083,508 1.145,509 1.266,510 1.246,511 1.306,512 0.984,513 1.295,514 1.143,515 0.953,516 1.252,517 1.116,518 1.093,519 1.186,520 0.321,521 0.596,522 0.77,523 0.874,524 0.59,525 0.891,526 4,528 2.444,529 1.979,530 1.656,531 0.778,532 0.478,533 0.299,534 0.123,535 0.016,536 3674,537 10655,538 2.045,539 40,541 5,543 1,544 2,546 6,549 1.641,550 1.881,551 2.883,552 0.378,554 1,556 1,558 52.109,559 1.489,560 3.836,561 4.343,562 4.572,563 4.572,564 4.572,565 2.244,566 4.107,567 4.363,568 2.983,569 626.432,570 7.521,571 6445.86,572 1,573 1,575 1,576 179.525,577 1.51,578 4.305,579 0.174,581 0.074,582 0.057,583 0.049,584 0.027,585 0.018,586 0.018,587 0.012,588 0.005,589 0.434,590 0.5,591 1,592 0.988,593 92.018,594 0.011,595 -0.057,596 0.041,597 -0.006,598 -0.06,599 0.017,600 0.195,601 0.043,602 0.204,603 0.107,604 0.107,605 0.147,606 -0.087,607 -0.14,608 0.042,609 -0.011,610 0.023,611 0.027,612 0.086,613 0.143,614 0.053,615 0.094,616 -0.013,617 0.073,618 -0.362,619 -0.066,620 -0.291,621 -0.116,622 -0.129,623 -0.178,624 -0.189,625 -0.235,626 -0.348,627 -0.353,628 -0.087,629 -0.372,630 -0.16,631 -0.055,632 -0.216,633 -0.141,634 -0.132,635 -0.179,636 0.429,637 0.128,638 0.385,639 0.203,640 0.431,641 0.271,642 1.274,643 3.045,644 0.714,645 13.732,646 1.004,647 1.133,648 3.069,649 9.42,650 0.688,651 3.178,652 3.526,653 3.85,654 4.174,655 4.431,656 4.543,657 4.615,658 4.673,659 4.595,660 4.511,661 4.573,662 0.664,663 278.35,664 3.178,665 4.727,666 5.602,667 6.509,668 7.412,669 8.329,670 9.242,671 10.163,672 11.081,673 12.005,674 17.1,678 1,682 1,683 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,699 1,708 1,716 35,718 17,719 1,720 23,722 37,723 15,724 11,725 2,726 4,728 3,729 4,732 2,738 1,739 1,740 11,741 3,756 1,757 1,760 14,761 5,762 2,763 6,769 6,775 0.667,785 1,788 1,793 1,794 2,797 1,819 2,823 2,827 21,828 1,837 1,842 1,846 1,848 1,858 11.167,859 7.083,860 4.667,861 2.108,863 3.364,864 1.49,865 0.99,866 3.229,867 10.226,868 3.526,869 4.171,870 4.882,871 5.558,872 6.145,873 6.548,874 6.996,875 7.418,876 7.676,877 7.966,878 0.8,879 35,880 7.673,881 3.235,882 7.825,883 14.443,884 11.678,885 2.325,886 48.833,890 141.253,891 96.52,892 115.967,897 96.52,898 141.253,899 115.967,900 17.65,902 70.802,903 80.322,904 53.155,905 2.328,906 129.482,908 141.253,909 212.487,913 70.627,914 70.627,917 63.577,918 98.676,919 50.234,921 141.253,922 115.967,923 96.52,926 141.253,927 15.744,928 65.951,929 16.602,930 114.191,931 141.253,932 115.967,933 96.52,935 0.583,936 0.355,937 0.202,938 0.118,939 17,940 8,941 0.054,942 2,943 1,944 1.133,945 3.178,946 169.479,947 0.133,948 15,949 90.239,954 13.389,955 5.065,956 2.192,957 1.427,958 114.191,959 8.714,960 12.973,964 2.508,965 1.821,966 32.897,967 353.74,968 33,980 35.145,981 39.651,983 0.29,984 0.748,985 0.847,986 0.891,987 0.891,988 0.891,989 4.771,990 1,991 5.609,992 2.807,993 4.205,994 4.856,995 2.228,996 6.485,997 4.132,998 6.021,999 0.779,1000 7.209,1001 2.528,1002 3.892,1003 4.745,1005 7.532,1006 3.793,1007 7.354,1008 0.427,1009 8.912,1010 1.979,1011 5.849,1012 7.18,1013 3.563,1014 10.685,1015 5.711,1016 8.727,1017 -0.286,1018 10.676,1019 0.621,1020 6.365,1021 7.954,1023 12.59,1024 6.195,1025 10.135,1026 -0.577,1027 12.48,1028 -0.667,1029 7.82,1030 9.844,1031 4.962,1032 15.285,1033 7.616,1034 11.57,1035 -0.786,1036 14.312,1037 -1.358,1038 8.71,1039 11.037,1041 17.54,1042 8.47,1043 13.027,1044 -0.881,1045 16.165,1046 -2,1047 9.983,1048 12.711,1049 6.378,1050 20.09,1051 9.709,1052 3.336,1053 -1,1054 18.034,1055 -2.003,1056 11.042,1057 14.101,1059 22.487,1060 10.731,1061 2.72,1062 12.085,1063 19.917,1064 -2.467,1065 12.253,1066 15.692,1067 7.797,1068 24.992,1069 11.907,1070 2.498,1071 8.894,1072 21.81,1073 4.731,1074 13.388,1075 17.172,1077 27.446,1078 13.003,1079 2.207,1080 7.753,1081 23.712,1082 3.754,1083 14.583,1084 18.734,1085 9.217,1086 29.939,1087 14.162,1088 1.742,1089 6.515,1090 25.621,1091 3.205,1092 15.752,1093 20.254,1095 32.415,1096 15.292,1097 1.525,1098 4.817,1099 27.537,1100 3,1101 16.945,1102 21.807,1103 10.638,1104 34.905,1105 16.448,1106 1.225,1107 4.02,1108 29.458,1109 2.283,1110 18.131,1111 23.344,1113 37.39,1114 17.596,1115 3696,1116 6402,1117 15.027,1118 24.08,1119 36.575,1120 37.905,1121 36.944,1122 34.926,1123 34.92,1124 48.481,1125 4.069,1126 104.039,1127 33.608,1128 5.425,1129 6.058,1130 6.628,1131 5.373,1132 5.336,1133 7.731,1134 4.069,1135 19.548,1136 5.217,1137 11.017,1138 1.59,1139 1.648,1140 1.606,1141 1.519,1142 1.518,1143 2.108,1144 0.177,1145 4.523,1146 1.461,1147 4.133,1148 4.18,1149 4.115,1150 4,1151 6.82,1152 4.021,1153 3.854,1154 3.887,1155 3.805,1156 3.76,1157 5.255,1158 3.77,1159 3.576,1160 3.654,1161 3.445,1162 3.407,1163 4.878,1164 3.4,1165 3.249,1166 3.317,1167 3.204,1168 3.075,1169 4.667,1170 3.101,1171 3.122,1172 3.197,1173 3.036,1174 2.923,1175 4.468,1176 2.942,1177 2.996,1178 3.103,1179 2.875,1180 2.694,1181 4.072,1182 2.73,1183 2.874,1184 3.009,1185 2.629,1186 2.618,1187 3.711,1188 2.603,1189 2.769,1190 2.844,1191 2.499,1192 2.601,1193 3.596,1194 2.57,1195 0.207,1196 0.176,1197 0.306,1198 0.187,1199 0.145,1200 4.759,1201 0.206,1202 4.058,1203 0.088,1204 7.039,1205 0.525,1206 4.3,1207 0.14,1208 3.336,1209 4.731,1210 2.035,1211 12.085,1212 3.217,1213 1.945,1214 1.923,1215 2.023,1216 2.039,1217 1.155,1218 2.027,1219 1.802,1220 1.754,1221 1.946,1222 1.987,1223 1.118,1224 1.977,1225 1.616,1226 1.552,1227 1.779,1228 1.813,1229 0.838,1230 1.814,1231 1.196,1232 1.145,1233 1.417,1234 1.42,1235 0.469,1236 1.391,1237 1.057,1238 0.997,1239 1.289,1240 1.288,1241 0.302,1242 1.308,1243 0.934,1244 0.804,1245 1.222,1246 1.239,1247 0.186,1248 1.267,1249 0.88,1250 0.784,1251 1.167,1252 1.2,1253 0.041,1254 1.197,1255 0.762,1256 0.673,1257 0.99,1258 1.063,1260 1.057,1261 3.85,1263 5.187,1264 2.398,1265 6.732,1266 4.844,1267 8.374,1268 7.081,1269 10.067,1271 4.056,1275 6.009,1281 0.148,1287 9.045,1288 2.132,1289 23.236,1290 52.109,1291 134.264,1292 152.015,1293 160.015,1294 160.015,1295 160.015,1296 29.82,1297 6.862,1298 93.41,1299 93.41,1300 17,1301 12.512,1302 4.17,1303 3.459,1304 31.842,1305 56,1306 63,1307 0.288,1308 146.895,1309 240.52,1310 350.183,1311 7210,1313 14.983,1314 0.713,1315 0.561,1316 14.983,1317 11.778,1318 10.113,1319 0.44,1320 0.287,1321 6.521,1322 9.745,1323 6.301,1324 5.292,1325 10.113,1326 6.607,1327 9.158,1328 0.278,1329 0.153,1330 9.158,1331 5.037,1332 7.8,1333 0.17,1334 0.071,1335 7.8,1336 3.272,1337 6.733,1338 0.105,1339 0.036,1340 6.733,1341 2.294,1342 5.588,1343 0.067,1344 0.019,1345 5.588,1346 1.565,1347 0.425,1348 63.177,1349 0.258,1350 20.1,1351 0.877,1352 112,1353 321.538,1354 122.13,1355 324.442,1356 452.14,1357 302,1358 135,1359 348.701,1360 146.296,1361 355.971,1362 519.37,1363 334,1364 5}
{0 CHEMBL1241680,1 1.637,2 7.364,3 2.511,4 6.303,5 82.517,6 8.467,7 0.667,8 3.683,9 3.812,10 3.352,11 3.219,12 4.977,13 3.232,14 4.165,15 4.341,16 3.736,17 3.587,18 5.387,19 3.595,20 4.38,21 4.573,22 3.847,23 3.701,24 5.683,25 3.711,26 4.469,27 4.691,28 3.82,29 3.711,30 5.841,31 3.697,32 4.363,33 4.571,34 3.63,35 3.665,36 5.522,37 3.623,38 4.324,39 4.521,40 3.603,41 3.614,42 5.622,43 3.565,44 4.409,45 4.676,46 3.363,47 3.485,48 5.603,49 3.386,50 4.191,51 4.51,52 3.068,53 3.121,54 5.552,55 2.979,56 0.094,57 0.655,58 5.417,59 2.664,60 11.119,61 3.174,62 0.212,63 1.007,64 10.846,65 4.488,66 24.845,67 5.695,68 0.3,69 1.228,70 14.318,71 5.123,72 30.212,73 6.393,74 0.496,75 1.241,76 17.254,77 5.553,78 77.513,79 7.238,80 0.289,81 1.066,82 14.078,83 4.856,84 33.726,85 6.408,86 0.291,87 1.065,88 12.987,89 5.017,90 38.952,91 6.565,92 0.413,93 1.02,94 18.294,95 5.758,96 47.935,97 8.12,98 0.463,99 0.782,100 18.163,101 5.716,102 80.106,103 8.684,104 30,105 35,106 0.295,107 0.726,108 0.799,109 0.823,110 0.823,111 0.823,112 3.148,113 0.839,114 -4.69,115 -4.61,116 -4.33,118 42.9,119 2,126 1,138 3,139 3,140 1,142 1,143 1,144 1,153 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 8,172 1,173 1,175 1,178 6,180 1,181 1,182 6,188 4,191 2,192 10,194 3,195 3,197 1,199 4,201 1,204 7,208 2,211 2,213 2,214 1,215 7,220 4,223 4,225 4,227 1,235 4,239 2,242 1,243 1,252 2,264 610,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.671,271 13.306,272 8.34,273 14.968,274 11.738,275 11.738,276 11.738,277 11.738,278 11.738,279 8.616,280 9.877,281 3.808,282 12.287,283 3.492,284 1.097,285 0.693,286 0.557,287 0.557,288 0.557,289 3.822,292 1,293 1,294 1,295 340,296 2.828,299 42.346,300 114.652,303 80.972,307 1.091,308 28.467,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 48.5,320 162,321 4.76,322 4.077,323 7.039,324 4.302,325 3.338,326 4.732,327 2.035,328 12.087,329 3.22,330 4.288,331 3.375,332 6.203,333 3.831,334 2.861,335 3.946,337 9.116,338 2.769,339 3.831,340 3.052,341 6.004,342 3.493,343 2.54,344 3.222,346 8.33,347 2.417,348 3.725,349 2.684,350 5.688,351 3.292,352 2.336,353 3.121,355 7.355,356 2.23,357 3.327,358 2.448,359 4.819,360 2.683,361 1.743,362 2.284,364 4.818,365 1.636,366 3.029,367 1.832,368 4.469,369 2.506,370 1.539,371 2.165,373 4.123,374 1.481,375 2.975,376 1.781,377 4.202,378 2.437,379 1.503,380 2.118,382 3.827,383 1.394,384 2.653,385 1.524,386 3.861,387 2.006,388 1.062,389 1.531,391 2.759,392 0.999,393 2.521,394 1.091,395 3.491,396 1.775,397 0.815,398 1.037,400 2.05,401 0.78,402 2.126,403 0.871,404 2.879,405 1.47,406 0.525,407 0.966,409 0.884,410 0.493,411 1.302,412 0.574,413 2.693,414 0.779,415 -0.132,416 -0.183,417 -0.255,418 -0.117,419 1.056,420 -0.148,421 2.425,422 0.599,423 -0.309,424 -0.404,425 -0.707,426 -0.279,427 0.729,428 -0.28,429 2.257,430 0.199,431 -0.759,432 -1,433 -2,434 -0.714,435 0.616,436 -0.711,437 2.199,438 0.106,439 -0.849,440 -1.08,441 -2.058,442 -0.819,443 0.222,444 -0.858,445 2,447 -1,448 -1.233,449 -2.325,450 -0.973,451 10.186,452 0.463,453 0.648,454 0.029,455 32,456 1.455,457 17.5,458 0.795,459 14.5,460 0.659,461 15.42,462 0.701,463 22.814,464 0.652,465 22.747,466 1.034,467 6.151,468 0.28,469 4.373,470 0.199,471 0.205,473 0.432,477 1,478 0.668,479 1.085,480 0.668,481 0.979,482 0.606,483 0.853,484 0.652,485 0.988,486 0.598,487 0.874,488 0.503,489 0.755,490 1.064,491 1.196,492 0.842,493 0.966,494 0.777,495 0.866,496 0.938,497 0.836,498 0.938,499 0.83,500 0.808,501 0.867,502 0.844,503 0.926,504 1.128,505 1.037,506 0.591,507 1.105,508 0.732,509 1.065,510 1.137,511 1.297,512 0.689,513 1.31,514 0.826,515 0.902,516 1.134,517 1.114,518 0.887,519 1.178,520 0.375,521 0.618,522 0.621,523 0.878,524 0.619,525 0.854,526 4.5,528 3.111,529 2.167,530 1.847,531 0.889,532 0.566,533 0.458,534 0.209,535 0.031,536 4137,537 13954,538 2.017,539 37.1,541 4,543 1,544 2,546 6,549 1.653,550 1.833,551 2.92,552 0.393,554 1,556 1,558 57.306,559 1.637,560 4.032,561 4.436,562 4.572,563 4.572,564 4.572,565 2.244,566 4.096,567 4.431,568 3.037,569 701.588,570 7.655,571 7470.94,572 1,573 1,575 1,576 179.525,577 1.544,578 4.36,579 0.188,581 0.089,582 0.057,583 0.051,584 0.03,585 0.02,586 0.023,587 0.015,588 0.005,589 0.478,590 0.5,591 1,592 1.003,593 98.25,594 -0.032,595 -0.064,596 0.027,597 -0.007,598 -0.059,599 0.019,600 0.073,601 -0.024,602 0.224,603 0.1,604 0.063,605 0.176,606 -0.128,607 -0.177,608 0.042,609 -0.016,610 0.005,611 0.045,612 0.023,613 0.137,614 0.007,615 0.096,616 0.074,617 0.057,618 -0.204,619 -0.074,620 -0.269,621 -0.116,622 -0.068,623 -0.178,624 -0.015,625 -0.157,626 -0.281,627 -0.348,628 -0.006,629 -0.377,630 0.013,631 -0.083,632 -0.087,633 -0.147,634 -0.076,635 -0.142,636 0.597,637 0.16,638 0.617,639 0.193,640 0.46,641 0.346,642 2.233,643 5.515,644 0.682,645 14.818,646 1.019,647 1.143,648 3.463,649 11.99,650 0.686,651 3.219,652 3.584,653 3.912,654 4.22,655 4.477,656 4.605,657 4.682,658 4.787,659 4.745,660 4.635,661 4.745,662 0.675,663 296.34,664 3.219,665 4.779,666 5.659,667 6.569,668 7.476,669 8.394,670 9.31,671 10.232,672 11.151,673 12.075,674 17.1,678 1,682 1,683 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,699 1,708 1,715 1,716 35,718 17,719 1,720 24,722 37,723 15,724 11,725 3,726 3,728 3,729 4,732 2,738 1,739 1,740 11,741 3,756 1,757 1,758 1,760 13,761 6,762 2,763 7,769 6,775 0.667,785 1,788 1,793 1,794 2,797 1,819 2,823 2,825 1,827 22,828 1,837 1,842 1,846 1,848 1,849 1,858 12,859 7.143,860 4.861,861 2.095,863 3.352,864 1.481,865 0.99,866 3.422,867 10.313,868 3.555,869 4.216,870 4.926,871 5.6,872 6.18,873 6.597,874 7.044,875 7.501,876 7.775,877 8.049,878 0.8,879 38,880 8.081,881 3.495,882 8.068,883 14.864,884 12.051,885 2.568,886 56.5,890 129.482,891 96.165,892 115.967,895 14.96,897 96.165,898 129.482,899 130.927,900 17.65,902 61.326,903 80.322,904 62.276,905 17.288,906 117.711,908 129.482,909 212.132,910 14.96,913 73.816,914 70.627,917 63.577,918 98.321,919 50.234,921 144.442,922 115.967,923 96.165,926 129.482,927 24.865,928 56.474,929 16.602,930 129.151,931 129.482,932 130.927,933 96.165,935 0.59,936 0.363,937 0.201,938 0.114,939 18,940 9,941 0.054,942 2,943 1,944 1.133,945 3.227,946 181.529,947 0.133,948 15,949 96.107,954 14.282,955 5.271,956 2.287,957 1.215,958 129.151,959 5.644,960 12.768,964 0.833,965 1.734,966 32.897,967 356.574,968 34,980 35.658,981 39.99,983 0.319,984 0.786,985 0.865,986 0.891,987 0.891,988 0.891,989 4.812,990 1.062,991 5.68,992 3.827,993 4.263,994 4.902,995 2.228,996 6.567,997 4.176,998 6.073,999 0.815,1000 7.292,1001 2.759,1002 4.007,1003 4.856,1005 7.633,1006 3.883,1007 7.415,1008 0.525,1009 9.006,1010 2.05,1011 5.927,1012 7.24,1013 3.563,1014 10.774,1015 5.768,1016 8.797,1017 -0.132,1018 10.777,1019 0.884,1020 6.479,1021 8.05,1023 12.671,1024 6.283,1025 10.211,1026 -0.309,1027 12.584,1028 -0.255,1029 7.912,1030 9.912,1031 4.962,1032 15.356,1033 7.686,1034 11.651,1035 -0.759,1036 14.417,1037 -0.707,1038 8.817,1039 11.12,1041 17.597,1042 8.554,1043 13.111,1044 -0.849,1045 16.269,1046 -2,1047 10.077,1048 12.779,1049 6.378,1050 20.138,1051 9.783,1052 3.338,1053 -1,1054 18.136,1055 -2.058,1056 11.14,1057 14.172,1059 22.524,1060 10.808,1061 2.861,1062 12.087,1063 20.014,1064 -2.325,1065 12.342,1066 15.753,1067 7.797,1068 25.022,1069 11.978,1070 2.54,1071 9.116,1072 21.902,1073 4.732,1074 13.474,1075 17.23,1077 27.469,1078 13.074,1079 2.336,1080 8.33,1081 23.798,1082 3.946,1083 14.662,1084 18.785,1085 9.217,1086 29.958,1087 14.228,1088 1.743,1089 7.355,1090 25.701,1091 3.222,1092 15.826,1093 20.3,1095 32.429,1096 15.356,1097 1.539,1098 4.818,1099 27.611,1100 3.121,1101 17.013,1102 21.848,1103 10.638,1104 34.917,1105 16.508,1106 1.503,1107 4.123,1108 29.525,1109 2.284,1110 18.194,1111 23.381,1113 37.4,1114 17.652,1115 4176,1116 7790,1117 15.433,1118 24.017,1119 38.138,1120 40.144,1121 39.052,1122 36.593,1123 36.523,1124 50.245,1125 4.069,1126 110.7,1127 34.838,1128 5.431,1129 6.077,1130 6.567,1131 5.375,1132 5.338,1133 7.732,1134 4.069,1135 19.553,1136 5.22,1137 12.753,1138 1.589,1139 1.673,1140 1.627,1141 1.525,1142 1.522,1143 2.094,1144 0.17,1145 4.612,1146 1.452,1147 4.134,1148 4.181,1149 4.118,1150 4,1151 8.201,1152 4.022,1153 3.865,1154 3.896,1155 3.835,1156 3.759,1157 6.819,1158 3.775,1159 3.576,1160 3.654,1161 3.445,1162 3.407,1163 5.255,1164 3.4,1165 3.252,1166 3.319,1167 3.208,1168 3.074,1169 4.873,1170 3.103,1171 3.125,1172 3.198,1173 3.055,1174 2.923,1175 4.597,1176 2.946,1177 3,1178 3.106,1179 2.885,1180 2.693,1181 4.425,1182 2.733,1183 2.874,1184 3.009,1185 2.717,1186 2.618,1187 4.055,1188 2.613,1189 2.799,1190 2.867,1191 2.499,1192 2.6,1193 3.687,1194 2.57,1195 0.198,1196 0.17,1197 0.293,1198 0.179,1199 0.139,1200 4.76,1201 0.197,1202 4.077,1203 0.085,1204 7.039,1205 0.504,1206 4.302,1207 0.134,1208 3.338,1209 4.732,1210 2.035,1211 12.087,1212 3.22,1213 1.94,1214 1.92,1215 2,1216 2.04,1217 1.154,1218 2.022,1219 1.8,1220 1.753,1221 1.945,1222 1.987,1223 1.111,1224 1.974,1225 1.615,1226 1.551,1227 1.771,1228 1.813,1229 0.829,1230 1.812,1231 1.191,1232 1.143,1233 1.417,1234 1.42,1235 0.469,1236 1.387,1237 1.053,1238 0.994,1239 1.265,1240 1.288,1241 0.254,1242 1.308,1243 0.934,1244 0.804,1245 1.221,1246 1.239,1247 0.184,1248 1.267,1249 0.874,1250 0.78,1251 1.143,1252 1.201,1253 0.035,1254 1.189,1255 0.761,1256 0.671,1257 0.99,1258 1.064,1260 1.053,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.447,1268 7.081,1269 10.147,1271 3.944,1273 13.515,1275 5.965,1281 0.071,1287 8.986,1288 1.826,1289 23.619,1290 57.306,1291 141.119,1292 155.26,1293 160.015,1294 160.015,1295 160.015,1296 41.733,1297 6.961,1298 93.41,1299 93.41,1300 17,1301 12.582,1302 4.17,1303 3.459,1304 34.146,1305 61,1306 62,1307 0.282,1308 148.093,1309 246.59,1310 353.106,1311 8101,1312 2.9,1313 15.853,1314 0.721,1315 0.549,1316 14.983,1317 12.078,1318 10.524,1319 0.439,1320 0.28,1321 6.602,1322 10.044,1323 6.403,1324 5.35,1325 10.113,1326 6.713,1327 9.676,1328 0.276,1329 0.147,1330 9.158,1331 5.151,1332 8.326,1333 0.17,1334 0.069,1335 7.8,1336 3.368,1337 7.05,1338 0.105,1339 0.035,1340 6.733,1341 2.316,1342 5.768,1343 0.066,1344 0.018,1345 5.588,1346 1.582,1347 0.419,1348 66.507,1349 0.255,1350 20.946,1351 0.853,1352 118,1353 415.649,1354 131.961,1355 386.43,1356 524.11,1357 358,1358 143,1359 393.035,1360 157.788,1361 393.415,1362 576.27,1363 369,1364 4.921}
{0 CHEMBL1241681,1 1.443,2 8.68,3 3.288,4 10.812,5 97.731,6 7.684,7 0.724,8 3.896,9 4.026,10 3.514,11 3.472,12 4.986,13 3.458,14 4.434,15 4.605,16 3.901,17 3.9,18 5.459,19 3.864,20 4.693,21 4.923,22 3.933,23 3.987,24 5.645,25 3.924,26 4.668,27 4.909,28 3.913,29 3.938,30 5.69,31 3.884,32 4.579,33 4.789,34 3.81,35 3.921,36 5.567,37 3.857,38 4.564,39 4.772,40 3.772,41 3.9,42 5.575,43 3.826,44 4.622,45 4.862,46 3.66,47 3.855,48 5.581,49 3.75,50 4.574,51 4.862,52 3.355,53 3.685,54 5.457,55 3.53,56 0.05,57 0.717,58 8.297,59 3.522,60 8.774,61 4.698,62 0.139,63 1.178,64 15.651,65 6.239,66 16.825,67 8.555,68 0.179,69 1.416,70 22.963,71 7.979,72 23.848,73 11.511,74 0.344,75 1.395,76 22.992,77 7.306,78 34.727,79 10.555,80 0.192,81 1.291,82 19.626,83 6.612,84 25.169,85 9.322,86 0.179,87 1.267,88 19.176,89 6.804,90 26.074,91 9.56,92 0.195,93 1.275,94 21.706,95 7.536,96 29.279,97 10.855,98 0.282,99 1.124,100 22.799,101 7.733,102 38.15,103 11.39,104 2,105 42,106 0.247,107 0.624,108 0.763,109 0.841,110 0.841,111 0.841,112 3.269,113 0.895,114 -4.92,115 -4.82,116 -4.52,118 44.2,120 4,126 1,138 5,139 3,141 1,142 2,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 9,170 2,171 10,172 1,173 1,175 1,178 10,180 1,181 1,182 10,188 7,191 2,192 11,194 3,195 3,197 1,199 7,201 1,204 9,208 2,211 6,213 2,214 1,215 9,220 4,223 7,225 4,227 1,228 5,233 3,235 8,237 3,239 2,240 2,242 1,243 1,245 1,247 6,249 1,252 2,260 4,264 863,265 17.499,266 17.499,267 17.499,268 17.499,269 17.499,270 15.126,271 9.487,272 10.279,273 17.807,274 14.358,275 14.358,276 14.358,277 14.358,278 14.358,279 10.755,280 7.5,281 4.884,282 14.866,283 3.983,284 1.78,285 0.968,286 0.512,287 0.512,288 0.512,289 3.985,292 1,293 1,294 1,295 494,296 2.121,299 95.706,300 164.043,303 84.315,304 91.068,307 1.238,308 16.978,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 53,320 217,321 4.766,322 3.389,323 7.051,324 4.312,325 3.348,326 4.738,328 12.147,329 3.229,330 4.397,331 2.936,332 6.29,333 3.902,334 2.92,335 4.324,337 9.49,338 2.864,339 3.902,340 2.762,341 6.138,342 3.643,343 2.674,344 3.309,346 8.944,347 2.588,348 3.758,349 2.4,350 5.749,351 3.341,352 2.376,353 3.197,355 7.628,356 2.293,357 3.239,358 2.038,359 5.079,360 2.949,361 1.996,362 2.427,364 5.69,365 1.899,366 3.118,367 1.618,368 4.532,369 2.605,370 1.618,371 2.373,373 4.49,374 1.596,375 3.079,376 1.58,377 4.367,378 2.524,379 1.579,380 2.357,382 4.098,383 1.488,384 2.863,385 1.422,386 4.235,387 2.342,388 1.381,389 2.04,391 3.529,392 1.323,393 2.638,394 1.358,395 3.681,396 2.3,397 1.334,398 1.683,400 2.993,401 1.285,402 2.456,403 1.042,404 3.593,405 1.977,406 1.032,407 1.44,409 2.544,410 0.973,411 2.141,412 0.719,413 3.25,414 1.688,415 0.708,416 0.972,417 1.763,418 0.693,419 1.853,420 0.63,421 3.161,422 1.618,423 0.618,424 0.771,425 1.497,426 0.618,427 1.618,428 0.618,429 3,430 1.587,431 0.618,432 0.618,433 1.372,434 0.598,435 1.084,436 -0.142,437 2.682,438 0.659,439 -0.271,440 -0.345,441 -0.642,442 -0.25,443 1.03,444 -0.408,445 2.461,446 0.542,447 -0.414,448 -0.584,449 -1.036,450 -0.398,451 11.9,452 0.476,453 0.534,454 0.021,455 35.5,456 1.42,457 18.5,458 0.74,459 17,460 0.68,461 18.82,462 0.753,463 25.3,464 0.588,465 23.631,466 0.945,467 6.48,468 0.259,469 5.83,470 0.233,471 0.034,473 0.37,478 0.845,479 1.184,480 0.74,481 0.958,482 0.932,483 0.857,484 0.781,485 1.116,486 0.822,487 1.01,488 0.608,489 0.938,490 0.993,491 1.157,492 0.863,493 0.983,494 0.706,495 0.92,496 1.12,497 0.835,498 0.888,499 0.764,500 0.979,501 0.789,502 1.398,503 1.081,504 1.141,505 1.004,506 1.163,507 1.032,508 1.209,509 1.149,510 1.161,511 1.135,512 1.332,513 1.14,514 1.096,515 1.143,516 1.145,517 1.164,518 1.377,519 1.162,520 0.879,521 0.804,522 1.064,523 0.986,524 1.098,525 1.038,526 3.5,527 0.015,528 2.889,529 1.694,530 1.709,531 0.768,532 0.47,533 0.392,534 0.155,535 0.074,536 7095,537 16250,538 2.251,539 41.9,540 4,541 6,543 2,544 2,546 4,549 1.686,550 2.174,551 3.114,552 0.273,553 1,554 1,558 62.05,559 1.443,560 3.646,561 4.459,562 4.915,563 4.915,564 4.915,565 2.504,566 4.214,567 4.616,568 3.228,569 968.475,570 8.016,571 11174.6,573 1,575 1,576 233.329,577 1.159,578 4.603,579 0.121,580 0.002,581 0.069,582 0.04,583 0.042,584 0.021,585 0.013,586 0.013,587 0.007,588 0.005,589 0.334,590 0.33,591 0.88,592 0.372,593 117.367,594 0.041,595 -0.041,596 0.068,597 0.015,598 -0.025,599 0.04,600 0.145,601 -0.034,602 0.049,603 -0.038,604 0.169,605 -0.013,606 0.013,607 -0.159,608 0.102,609 -0.015,610 0.148,611 0.043,612 0.09,613 0.199,614 0.103,615 0.165,616 0.094,617 0.141,618 -0.303,619 -0.022,620 -0.211,621 -0.063,622 -0.207,623 -0.114,624 -0.182,625 -0.104,626 -0.238,627 -0.182,628 -0.207,629 -0.211,630 -0.102,631 -0.165,632 -0.172,633 -0.196,634 -0.199,635 -0.194,636 0.075,637 0.09,638 -0.019,639 0.007,640 0.022,641 -0.014,642 1.185,643 2.202,644 0.96,645 18.941,646 0.998,647 1.127,648 3.688,649 13.602,650 0.688,651 3.401,652 3.761,653 4.127,654 4.477,655 4.736,656 4.905,657 5.1,658 5.288,659 5.398,660 5.416,661 5.262,662 0.658,663 330.43,664 3.401,665 4.963,666 5.855,667 6.765,668 7.676,669 8.596,670 9.515,671 10.439,672 11.363,673 12.29,674 14,678 1,682 1,684 4,689 4,690 7,691 4,695 3,696 1,697 21,708 1,716 43,718 21,719 1,720 29,722 47,723 19,724 14,725 3,726 3,728 5,729 7,735 5,738 5,740 14,741 5,756 1,757 1,760 18,761 5,762 2,763 6,769 6,775 0.6,785 1,787 1,788 1,793 2,794 3,797 1,798 1,819 3,827 25,828 1,833 4,837 1,858 11.5,859 7.75,860 5.361,861 2.786,863 4.269,864 1.544,865 1.066,866 3.338,867 12.117,868 3.701,869 4.391,870 5.111,871 5.811,872 6.431,873 6.873,874 7.394,875 7.925,876 8.356,877 8.697,878 0.833,879 42,880 9.223,881 4.056,882 7.54,883 18.02,884 15.622,885 2.04,886 51,889 1,890 188.338,891 92.461,892 101.693,897 92.461,898 188.338,899 101.693,901 10.138,902 80.278,903 92.277,904 32.675,905 2.328,906 164.795,908 188.338,909 194.154,913 141.253,914 47.084,917 36.197,918 90.938,919 67.02,921 188.338,922 101.693,923 92.461,926 188.338,927 27.414,928 66.824,930 99.917,931 188.338,932 101.693,933 92.461,935 0.585,936 0.358,937 0.21,938 0.114,939 24,940 9,941 0.043,942 2,943 2,944 1.167,945 3.714,946 230.451,947 0.167,948 24,949 112.096,954 14.65,955 5.696,956 2.341,957 3.729,958 99.917,959 13.501,960 18.001,964 2.352,965 2.059,966 32.897,967 382.492,968 39.5,980 42.912,981 48.481,983 0.266,984 0.672,985 0.822,986 0.906,987 0.906,988 0.906,989 4.943,990 1.381,991 5.844,992 4.098,993 4.443,994 5.078,996 6.715,997 4.376,998 6.171,999 1.334,1000 7.431,1001 3.529,1002 4.007,1003 4.956,1005 7.722,1006 3.908,1007 7.502,1008 1.032,1009 9.124,1010 2.993,1011 6.08,1012 7.42,1014 10.897,1015 5.951,1016 8.878,1017 0.708,1018 10.881,1019 2.544,1020 6.538,1021 8.204,1023 12.781,1024 6.377,1025 10.291,1026 0.618,1027 12.681,1028 1.763,1029 8.04,1030 10.104,1032 15.469,1033 7.849,1034 11.732,1035 0.618,1036 14.509,1037 1.497,1038 8.901,1039 11.303,1041 17.703,1042 8.675,1043 13.194,1044 -0.271,1045 16.358,1046 1.372,1047 10.19,1048 12.981,1050 20.242,1051 9.932,1052 3.348,1053 -0.414,1054 18.223,1055 -0.642,1056 11.231,1057 14.369,1059 22.622,1060 10.938,1061 2.92,1062 12.147,1063 20.1,1064 -1.036,1065 12.444,1066 15.958,1068 25.118,1069 12.117,1070 2.674,1071 9.49,1072 21.987,1073 4.738,1074 13.566,1075 17.429,1077 27.561,1078 13.202,1079 2.376,1080 8.944,1081 23.883,1082 4.324,1083 14.757,1084 18.985,1086 30.048,1087 14.358,1088 1.996,1089 7.628,1090 25.785,1091 3.309,1092 15.916,1093 20.493,1095 32.519,1096 15.479,1097 1.618,1098 5.69,1099 27.693,1100 3.197,1101 17.104,1102 22.037,1104 35.007,1105 16.63,1106 1.579,1107 4.49,1108 29.606,1109 2.427,1110 18.281,1111 23.563,1113 37.49,1114 17.77,1115 6470,1116 9943,1117 20.285,1118 29.603,1119 44.239,1120 44.306,1121 44.939,1122 44.472,1123 44.406,1124 60.501,1126 132.373,1127 42.894,1128 5.668,1129 5.389,1130 6.738,1131 5.387,1132 5.348,1133 7.738,1135 19.686,1136 5.229,1137 6.03,1138 1.525,1139 1.528,1140 1.55,1141 1.534,1142 1.531,1143 2.086,1145 4.565,1146 1.479,1147 4.166,1148 4.209,1149 4.142,1150 4.057,1151 5.257,1152 4.07,1153 3.997,1154 4.035,1155 3.958,1156 3.876,1157 4.997,1158 3.894,1159 3.793,1160 3.85,1161 3.667,1162 3.677,1163 4.848,1164 3.668,1165 3.454,1166 3.505,1167 3.381,1168 3.347,1169 4.525,1170 3.347,1171 3.25,1172 3.34,1173 3.169,1174 2.988,1175 4.312,1176 3.024,1177 3.026,1178 3.11,1179 2.929,1180 2.857,1181 4.143,1182 2.866,1183 2.95,1184 3.032,1185 2.84,1186 2.743,1187 3.952,1188 2.755,1189 2.869,1190 2.979,1191 2.603,1192 2.671,1193 3.687,1194 2.635,1195 0.164,1196 0.117,1197 0.243,1198 0.149,1199 0.115,1200 4.766,1201 0.163,1202 3.389,1204 7.051,1205 0.419,1206 4.312,1207 0.111,1208 3.348,1209 4.738,1211 12.147,1212 3.229,1213 2.045,1214 2.023,1215 2.116,1216 2.123,1217 1.246,1218 2.123,1219 1.82,1220 1.779,1221 1.899,1222 2.01,1223 1.232,1224 1.976,1225 1.625,1226 1.569,1227 1.86,1228 1.817,1229 1.211,1230 1.808,1231 1.577,1232 1.507,1233 1.783,1234 1.751,1235 0.907,1236 1.793,1237 1.44,1238 1.392,1239 1.609,1240 1.582,1241 0.641,1242 1.595,1243 1.095,1244 1.035,1245 1.252,1246 1.349,1247 0.289,1248 1.332,1249 0.945,1250 0.876,1251 1.188,1252 1.206,1253 0.186,1254 1.207,1255 0.826,1256 0.749,1257 1.066,1258 1.111,1259 0.094,1260 1.108,1261 4.078,1263 5.425,1264 3.045,1265 6.978,1266 5.352,1267 8.628,1268 7.455,1269 10.33,1275 6.202,1277 4.761,1281 0.396,1289 28.289,1290 62.05,1291 156.784,1292 191.72,1293 211.329,1294 211.329,1295 211.329,1296 29.599,1297 7.849,1298 82.51,1299 82.51,1300 28,1301 12.795,1302 4.459,1303 3.524,1304 31.86,1305 77,1306 80,1307 0.202,1308 170.477,1309 274.1,1310 407.724,1311 26423,1313 16.803,1314 0.672,1315 0.55,1316 16.803,1317 13.761,1318 12.31,1319 0.424,1320 0.298,1321 8.555,1322 11.925,1323 8.418,1324 6.942,1325 12.31,1326 8.649,1327 11.135,1328 0.265,1329 0.157,1330 11.135,1331 6.6,1332 10.128,1333 0.166,1334 0.083,1335 10.128,1336 5.065,1337 9.1,1338 0.105,1339 0.044,1340 9.1,1341 3.824,1342 7.394,1343 0.065,1344 0.021,1345 7.394,1346 2.344,1347 0.305,1348 76.455,1349 0.222,1350 23.636,1351 0.597,1352 142,1353 353.538,1354 153.157,1355 353.518,1356 508.79,1357 334,1358 174,1359 403.758,1360 186.795,1361 409.407,1362 607.88,1363 388,1364 5.569}
{0 CHEMBL1241682,1 1.449,2 8.75,3 2.895,4 8.381,5 95.076,6 7.581,7 0.778,8 3.854,9 3.989,10 3.452,11 3.408,12 4.987,13 3.393,14 4.36,15 4.547,16 3.848,17 3.795,18 5.435,19 3.771,20 4.555,21 4.758,22 3.918,23 3.92,24 5.632,25 3.886,26 4.646,27 4.875,28 3.872,29 3.942,30 5.703,31 3.875,32 4.579,33 4.8,34 3.715,35 3.891,36 5.56,37 3.804,38 4.524,39 4.74,40 3.651,41 3.818,42 5.573,43 3.725,44 4.585,45 4.863,46 3.432,47 3.709,48 5.524,49 3.577,50 4.375,51 4.676,52 3.224,53 3.469,54 5.253,55 3.322,56 0.05,57 0.693,58 8.25,59 3.376,60 9.154,61 4.603,62 0.145,63 1.093,64 15.324,65 5.672,66 17.557,67 8.033,68 0.189,69 1.3,70 19.172,71 6.22,72 22.913,73 9,74 0.311,75 1.358,76 22.084,77 7.404,78 33.919,79 10.709,80 0.18,81 1.25,82 20.235,83 6.994,84 23.986,85 10.087,86 0.146,87 1.186,88 18.893,89 6.8,90 27.292,91 9.786,92 0.255,93 1.146,94 22.623,95 7.127,96 37.015,97 10.715,98 0.212,99 0.886,100 19.108,101 6.595,102 28.961,103 9.91,104 18,105 40,106 0.25,107 0.638,108 0.783,109 0.831,110 0.831,111 0.831,112 3.23,113 0.879,114 -4.69,115 -4.6,116 -4.33,118 42.9,119 3,126 1,138 5,139 3,142 3,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 11,172 1,173 1,175 1,178 9,180 1,181 1,182 8,188 8,191 2,192 9,194 3,195 3,197 1,199 9,201 1,204 7,208 2,211 6,213 2,214 1,215 9,220 4,223 6,225 4,227 1,228 3,233 1,235 4,237 1,239 2,240 3,242 1,243 1,245 1,247 3,249 1,252 3,260 2,264 758,265 16.085,266 16.085,267 16.085,268 16.085,269 16.085,270 13.687,271 11.912,272 9.195,273 16.411,274 13.321,275 13.321,276 13.321,277 13.321,278 13.321,279 9.634,280 8.971,281 4.348,282 13.849,283 3.944,284 1.693,285 0.854,286 0.578,287 0.578,288 0.578,289 3.925,292 1,293 1,294 1,295 460,296 2.739,299 43.524,300 159.84,303 83.676,304 88.462,307 1.375,308 16.583,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51,320 210,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.222,330 4.426,331 2.974,332 6.262,333 3.927,334 2.948,335 4.36,337 9.449,338 2.883,339 3.877,340 2.681,341 6.082,342 3.529,343 2.57,344 3.353,346 8.608,347 2.462,348 3.767,349 2.49,350 5.719,351 3.366,352 2.407,353 3.19,355 7.488,356 2.307,357 3.475,358 2.222,359 4.962,360 3.054,361 2.08,362 2.849,364 5.803,365 2.023,366 3.118,367 1.819,368 4.819,369 2.683,370 1.742,371 2.427,373 4.818,374 1.636,375 3.03,376 1.618,377 4.495,378 2.603,379 1.618,380 2.249,382 4.416,383 1.592,384 2.981,385 1.507,386 4.377,387 2.445,388 1.501,389 2.127,391 4.065,392 1.412,393 2.532,394 1.067,395 3.861,396 2.011,397 1.064,398 1.546,400 2.761,401 1.005,402 2.214,403 0.856,404 3.492,405 1.795,406 0.827,407 1.097,409 2.067,410 0.799,411 2.11,412 0.721,413 3.274,414 1.676,415 0.694,416 0.985,417 1.685,418 0.68,419 1.272,420 0.069,421 2.724,422 0.865,423 -0.108,424 -0.141,425 -0.26,426 -0.105,427 1.056,428 -0.165,429 2.432,430 0.612,431 -0.302,432 -0.389,433 -0.705,434 -0.276,435 0.882,436 -0.618,437 2.384,438 0.368,439 -0.618,440 -0.927,441 -1.82,442 -0.607,443 0.69,444 -0.622,445 2.27,446 0.246,447 -0.715,448 -0.945,449 -2,450 -0.684,451 11.4,452 0.475,453 0.716,454 0.03,455 34.5,456 1.438,457 18.5,458 0.771,459 16,460 0.667,461 18.152,462 0.756,463 24.6,464 0.586,465 23.856,466 0.994,467 6.554,468 0.273,469 4.988,470 0.208,471 0.167,473 0.43,478 0.861,479 1.243,480 0.765,481 1.005,482 1.104,483 0.895,484 0.761,485 1.083,486 0.656,487 0.863,488 0.571,489 0.766,490 1.297,491 1.142,492 0.943,493 0.914,494 0.958,495 0.885,496 1,497 0.898,498 0.969,499 0.914,500 0.981,501 0.933,502 1.222,503 1.087,504 1.158,505 1.091,506 1.006,507 1.111,508 1.037,509 1.267,510 1.175,511 1.286,512 1.17,513 1.256,514 1.162,515 0.943,516 1.122,517 1,518 1.479,519 1.046,520 0.522,521 0.796,522 0.773,523 0.889,524 0.577,525 0.87,526 5,527 0.083,528 3.111,529 2.104,530 2.14,531 0.827,532 0.564,533 0.436,534 0.215,535 0.178,536 5894,537 14295,538 2.11,539 42.9,541 6,543 1,544 2,545 3,546 6,549 1.673,550 1.946,551 3.102,552 0.296,553 1,554 1,556 1,558 60.85,559 1.449,560 3.7,561 4.538,562 4.815,563 4.815,564 4.815,565 2.555,566 4.418,567 4.557,568 3.236,569 893.149,570 7.888,571 9993.54,572 1,573 1,575 1,576 226.477,577 1.483,578 4.504,579 0.185,580 0.012,581 0.078,582 0.05,583 0.055,584 0.025,585 0.019,586 0.019,587 0.011,588 0.014,589 0.468,590 0.33,591 1,592 0.813,593 111.361,594 0.042,595 -0.078,596 0.061,597 -0.013,598 -0.192,599 0.02,600 0.22,601 0.003,602 0.248,603 0.116,604 0.243,605 0.173,606 -0.155,607 -0.047,608 -0.016,609 0.023,610 -0.035,611 0.023,612 0.092,613 0.141,614 -0.01,615 0.036,616 0.055,617 0.005,618 -0.246,619 -0.06,620 -0.223,621 -0.119,622 -0.135,623 -0.159,624 -0.1,625 -0.248,626 -0.247,627 -0.309,628 -0.098,629 -0.3,630 -0.126,631 -0.012,632 -0.102,633 -0.039,634 -0.26,635 -0.062,636 0.32,637 0.047,638 0.275,639 0.123,640 0.342,641 0.18,642 1.218,643 2.124,644 0.792,645 17.667,646 0.998,647 1.131,648 3.456,649 11.942,650 0.681,651 3.332,652 3.714,653 4.043,654 4.382,655 4.673,656 4.796,657 4.92,658 5.088,659 5.182,660 5.231,661 5.231,662 0.65,663 318.42,664 3.332,665 4.905,666 5.79,667 6.706,668 7.613,669 8.534,670 9.45,671 10.374,672 11.294,673 12.218,674 14.3,678 1,682 1,684 4,689 4,690 6,691 4,695 4,696 1,697 21,708 1,716 42,718 21,719 1,720 27,722 45,723 18,724 14,725 3,726 3,728 4,729 6,732 3,738 1,740 14,741 4,756 1,757 1,760 18,761 5,762 2,763 6,769 6,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 3,827 24,828 1,837 1,858 12.333,859 8.667,860 5.111,861 2.575,863 4.314,864 1.569,865 1.025,866 3.38,867 11.9,868 3.651,869 4.379,870 5.096,871 5.803,872 6.437,873 6.868,874 7.36,875 7.894,876 8.326,877 8.691,878 0.833,879 42,880 8.815,881 3.771,882 7.611,883 16.943,884 14.067,885 2.111,886 50.667,889 1,890 188.338,891 102.508,892 101.693,897 102.508,898 188.338,899 101.693,900 26.476,902 80.278,903 80.506,904 26.384,905 2.328,906 176.567,908 188.338,909 204.201,913 117.711,914 70.627,917 46.244,918 90.938,919 67.02,921 188.338,922 101.693,923 102.508,926 188.338,927 20.032,928 84.252,930 99.917,931 188.338,932 101.693,933 102.508,935 0.597,936 0.355,937 0.202,938 0.12,939 22,940 10,941 0.044,942 2,943 2,944 1.211,945 3.496,946 211.577,947 0.211,948 19,949 108.039,954 14.888,955 5.448,956 2.407,957 3.594,958 99.917,959 11.679,960 17.828,964 3.241,965 1.889,966 32.897,967 392.539,968 37.5,980 41.912,981 47.481,983 0.269,984 0.686,985 0.842,986 0.893,987 0.893,988 0.893,989 4.9,990 1.501,991 5.808,992 4.416,993 4.394,994 5.066,996 6.688,997 4.322,998 6.161,999 1.064,1000 7.41,1001 4.065,1002 4.111,1003 5.047,1005 7.716,1006 4.011,1007 7.507,1008 0.827,1009 9.112,1010 2.761,1011 6.052,1012 7.441,1014 10.864,1015 5.914,1016 8.893,1017 0.694,1018 10.872,1019 2.067,1020 6.567,1021 8.254,1023 12.736,1024 6.399,1025 10.311,1026 -0.108,1027 12.67,1028 1.685,1029 8.019,1030 10.133,1032 15.421,1033 7.818,1034 11.754,1035 -0.302,1036 14.494,1037 -0.26,1038 8.899,1039 11.339,1041 17.648,1042 8.666,1043 13.217,1044 -0.618,1045 16.338,1046 -0.705,1047 10.169,1048 13.009,1050 20.186,1051 9.904,1052 3.339,1053 -0.715,1054 18.199,1055 -1.82,1056 11.216,1057 14.399,1059 22.563,1060 10.917,1061 2.948,1062 12.088,1063 20.072,1064 -2,1065 12.422,1066 15.985,1068 25.057,1069 12.09,1070 2.57,1071 9.449,1072 21.955,1073 4.737,1074 13.545,1075 17.457,1077 27.497,1078 13.178,1079 2.407,1080 8.608,1081 23.847,1082 4.36,1083 14.732,1084 19.011,1086 29.982,1087 14.331,1088 2.08,1089 7.488,1090 25.747,1091 3.353,1092 15.891,1093 20.52,1095 32.449,1096 15.454,1097 1.742,1098 5.803,1099 27.653,1100 3.19,1101 17.075,1102 22.063,1104 34.934,1105 16.604,1106 1.618,1107 4.818,1108 29.565,1109 2.849,1110 18.251,1111 23.588,1113 37.413,1114 17.744,1115 5640,1116 8925,1117 17.918,1118 28.603,1119 42.027,1120 41.486,1121 43.581,1122 41.6,1123 41.583,1124 57.839,1126 126.496,1127 40.044,1128 5.431,1129 5.376,1130 6.567,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.222,1137 12.207,1138 1.557,1139 1.537,1140 1.614,1141 1.541,1142 1.54,1143 2.142,1145 4.685,1146 1.483,1147 4.159,1148 4.201,1149 4.138,1150 4.057,1151 5.258,1152 4.069,1153 3.996,1154 4.036,1155 3.964,1156 3.863,1157 4.984,1158 3.887,1159 3.58,1160 3.657,1161 3.445,1162 3.441,1163 4.849,1164 3.431,1165 3.518,1166 3.569,1167 3.434,1168 3.387,1169 4.526,1170 3.386,1171 3.179,1172 3.268,1173 3.071,1174 2.97,1175 4.32,1176 2.984,1177 3.086,1178 3.16,1179 2.939,1180 2.948,1181 4.051,1182 2.942,1183 3,1184 3.107,1185 2.878,1186 2.698,1187 3.958,1188 2.734,1189 2.874,1190 3.009,1191 2.667,1192 2.62,1193 3.71,1194 2.625,1195 0.176,1196 0.125,1197 0.261,1198 0.159,1199 0.124,1200 4.762,1201 0.175,1202 3.376,1204 7.039,1205 0.448,1206 4.303,1207 0.119,1208 3.339,1209 4.737,1211 12.088,1212 3.222,1213 2.052,1214 2.029,1215 2.123,1216 2.13,1217 1.249,1218 2.129,1219 1.827,1220 1.784,1221 1.949,1222 2.021,1223 1.145,1224 1.993,1225 1.657,1226 1.595,1227 1.822,1228 1.851,1229 0.924,1230 1.849,1231 1.506,1232 1.452,1233 1.706,1234 1.659,1235 0.771,1236 1.681,1237 1.146,1238 1.074,1239 1.425,1240 1.396,1241 0.483,1242 1.39,1243 1.088,1244 1.027,1245 1.417,1246 1.298,1247 0.469,1248 1.322,1249 0.934,1250 0.804,1251 1.253,1252 1.239,1253 0.274,1254 1.308,1255 0.886,1256 0.789,1257 1.162,1258 1.206,1259 0.08,1260 1.201,1261 4.007,1263 5.371,1264 2.398,1265 6.934,1266 4.844,1267 8.592,1268 7.081,1269 10.3,1271 6.131,1275 6.124,1281 0.181,1289 27.289,1290 60.85,1291 155.384,1292 190.603,1293 202.213,1294 202.213,1295 202.213,1296 29.845,1297 7.586,1298 82.51,1299 82.51,1300 23,1301 12.725,1302 4.459,1303 3.524,1304 33.701,1305 74,1306 84,1307 0.227,1308 168.278,1309 269.16,1310 402.359,1311 18888,1313 16.845,1314 0.702,1315 0.577,1316 16.845,1317 13.855,1318 11.542,1319 0.427,1320 0.293,1321 7.815,1322 11.15,1323 7.515,1324 6.299,1325 11.542,1326 7.908,1327 10.968,1328 0.274,1329 0.155,1330 10.968,1331 6.205,1332 9.315,1333 0.166,1334 0.073,1335 9.315,1336 4.109,1337 8.19,1338 0.104,1339 0.037,1340 8.19,1341 2.932,1342 7.068,1343 0.067,1344 0.02,1345 7.068,1346 2.102,1347 0.343,1348 71.801,1349 0.236,1350 22.807,1351 0.664,1352 134,1353 347.538,1354 145.49,1355 348.752,1356 500.04,1357 328,1358 163,1359 398.11,1360 175.628,1361 405.395,1362 597.96,1363 382,1364 5.569}
{0 CHEMBL1241683,1 1.603,2 8.75,3 3.486,4 12.152,5 96.35,6 8.688,7 0.778,8 3.799,9 3.923,10 3.505,11 3.378,12 4.97,13 3.37,14 4.295,15 4.463,16 3.929,17 3.768,18 5.446,19 3.752,20 4.498,21 4.688,22 3.986,23 3.894,24 5.614,25 3.861,26 4.571,27 4.787,28 3.943,29 3.899,30 5.689,31 3.842,32 4.498,33 4.704,34 3.798,35 3.846,36 5.546,37 3.768,38 4.439,39 4.638,40 3.695,41 3.766,42 5.545,43 3.684,44 4.501,45 4.763,46 3.485,47 3.665,48 5.494,49 3.545,50 4.346,51 4.645,52 3.371,53 3.446,54 5.278,55 3.299,56 0.068,57 0.643,58 6.052,59 2.964,60 8.341,61 3.692,62 0.204,63 1.01,64 12.763,65 5.083,66 20.153,67 6.628,68 0.235,69 1.195,70 17.342,71 6.106,72 21.75,73 7.87,74 0.361,75 1.248,76 20.007,77 6.813,78 34.948,79 8.953,80 0.246,81 1.138,82 17.862,83 6.361,84 25.438,85 8.215,86 0.217,87 1.079,88 17.051,89 6.17,90 27.437,91 8.005,92 0.301,93 1.077,94 19.838,95 6.684,96 37.135,97 9.187,98 0.304,99 0.836,100 21.077,101 6.843,102 34.326,103 9.877,104 18,105 40,106 0.281,107 0.667,108 0.785,109 0.837,110 0.837,111 0.837,112 3.23,113 0.886,114 -4.95,115 -4.86,116 -4.56,118 43.6,119 2,126 1,138 5,139 3,142 2,143 2,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 11,172 1,173 1,175 1,178 9,180 1,181 1,182 8,188 8,191 2,192 9,194 3,195 3,197 1,199 9,201 1,204 7,208 2,211 6,213 2,214 1,215 9,220 4,223 6,225 4,227 1,228 3,233 1,235 4,237 1,239 2,240 3,242 1,243 1,245 1,247 3,249 1,252 3,260 2,264 758,265 16.085,266 16.085,267 16.085,268 16.085,269 16.085,270 13.687,271 11.088,272 9.195,273 16.555,274 13.321,275 13.321,276 13.321,277 13.321,278 13.321,279 9.634,280 8.141,281 4.348,282 14.137,283 3.682,284 1.475,285 0.798,286 0.5,287 0.5,288 0.5,289 3.925,291 1,292 1,293 1,294 1,295 460,296 2.739,299 43.524,300 159.84,303 83.676,304 88.462,307 1.375,308 19.237,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 51.333,320 210,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.222,330 4.426,331 3.063,332 6.262,333 3.919,334 2.948,335 4.36,337 9.449,338 2.864,339 3.877,340 2.747,341 6.082,342 3.523,343 2.57,344 3.353,346 8.608,347 2.446,348 3.767,349 2.618,350 5.719,351 3.353,352 2.407,353 3.19,355 7.488,356 2.28,357 3.475,358 2.335,359 4.962,360 2.949,361 2.08,362 2.849,364 5.803,365 1.722,366 3.118,367 1.82,368 4.819,369 2.683,370 1.742,371 2.427,373 4.818,374 1.633,375 3.03,376 1.618,377 4.495,378 2.603,379 1.618,380 2.249,382 4.416,383 1.59,384 2.981,385 1.513,386 4.377,387 2.44,388 1.501,389 2.127,391 4.065,392 1.399,393 2.532,394 1.069,395 3.861,396 2.011,397 1.064,398 1.546,400 2.761,401 1.004,402 2.214,403 0.856,404 3.492,405 1.795,406 0.827,407 1.097,409 2.067,410 0.799,411 2.11,412 0.772,413 3.274,414 1.661,415 0.694,416 0.985,417 1.685,418 0.66,419 1.272,420 0.316,421 2.724,422 0.778,423 -0.108,424 -0.141,425 -0.26,426 -0.081,427 1.056,428 -0.154,429 2.432,430 0.602,431 -0.302,432 -0.389,433 -0.705,434 -0.27,435 0.882,436 -0.535,437 2.384,438 0.367,439 -0.618,440 -0.927,441 -1.82,442 -0.577,443 0.69,444 -0.618,445 2.27,446 0.187,447 -0.715,448 -0.945,449 -2,450 -0.61,451 11.614,452 0.484,453 0.716,454 0.03,455 34.75,456 1.448,457 18.5,458 0.771,459 16.25,460 0.677,461 18.062,462 0.753,463 24.386,464 0.625,465 23.945,466 0.998,467 6.583,468 0.274,469 4.959,470 0.207,471 0.182,473 0.422,478 0.775,479 1.224,480 0.578,481 0.879,482 0.962,483 0.809,484 0.65,485 1.074,486 0.553,487 0.824,488 0.513,489 0.747,490 1.087,491 1.146,492 0.804,493 0.875,494 0.825,495 0.851,496 0.969,497 0.875,498 0.843,499 0.845,500 0.945,501 0.896,502 1.164,503 1.081,504 0.994,505 1.028,506 0.968,507 1.092,508 1.057,509 1.25,510 1.082,511 1.254,512 1.155,513 1.259,514 0.983,515 0.982,516 0.826,517 0.98,518 1.293,519 1.089,520 0.438,521 0.737,522 0.604,523 0.818,524 0.507,525 0.83,526 5,527 0.083,528 3.111,529 2.104,530 2.14,531 0.827,532 0.564,533 0.436,534 0.215,535 0.178,536 5894,537 17625,538 2.11,539 38.5,541 6,543 1,544 2,546 6,549 1.673,550 1.946,551 3.102,552 0.337,554 1,556 1,558 62.531,559 1.603,560 3.81,561 4.487,562 4.785,563 4.785,564 4.785,565 2.555,566 4.418,567 4.557,568 3.236,569 893.149,570 7.888,571 9993.54,572 1,573 1,574 1,575 1,576 206.131,577 1.483,578 4.504,579 0.185,580 0.012,581 0.078,582 0.05,583 0.055,584 0.025,585 0.019,586 0.019,587 0.011,588 0.014,589 0.468,590 0.33,591 1,592 0.813,593 111.361,594 -0.015,595 -0.077,596 0.022,597 -0.003,598 -0.193,599 0.021,600 0.207,601 0.014,602 0.164,603 0.079,604 0.231,605 0.136,606 -0.141,607 -0.082,608 -0.008,609 0.032,610 -0.01,611 0.043,612 0.005,613 0.164,614 -0.021,615 0.071,616 0.003,617 0.024,618 -0.261,619 -0.056,620 -0.177,621 -0.098,622 -0.136,623 -0.164,624 -0.171,625 -0.234,626 -0.259,627 -0.322,628 -0.162,629 -0.331,630 -0.123,631 -0.03,632 -0.059,633 -0.039,634 -0.265,635 -0.092,636 0.377,637 0.087,638 0.354,639 0.228,640 0.385,641 0.297,642 1.24,643 2.106,644 0.792,645 17.667,646 1.009,647 1.128,648 3.724,649 13.866,650 0.71,651 3.332,652 3.714,653 4.043,654 4.382,655 4.673,656 4.796,657 4.92,658 5.088,659 5.182,660 5.231,661 5.231,662 0.682,663 338.83,664 3.332,665 4.905,666 5.79,667 6.706,668 7.613,669 8.534,670 9.45,671 10.374,672 11.294,673 12.218,674 15.4,678 1,682 1,684 4,689 4,690 6,691 4,695 4,696 1,697 21,708 1,715 1,716 39,718 21,719 1,720 27,722 42,723 17,724 14,725 3,726 3,728 4,729 6,730 1,732 2,738 1,740 14,741 3,756 1,757 1,760 15,761 5,762 2,763 7,764 1,769 6,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,824 1,827 24,828 1,837 1,849 1,858 12.333,859 7.81,860 5.111,861 2.36,863 4.314,864 1.569,865 1.029,866 3.539,867 11.9,868 3.651,869 4.379,870 5.096,871 5.803,872 6.437,873 6.868,874 7.36,875 7.894,876 8.326,877 8.691,878 0.833,879 42,880 8.794,881 3.789,882 7.699,883 16.729,884 13.901,885 2.199,886 52.778,890 153.024,891 93.998,892 101.693,893 39.149,897 93.998,898 192.173,899 101.693,900 17.65,902 80.278,903 80.506,904 23.628,905 44.548,906 141.253,908 153.024,909 195.691,911 39.149,913 82.398,914 70.627,917 34.662,918 94.01,919 67.02,920 39.149,921 153.024,922 101.693,923 133.146,926 153.024,927 20.347,928 75.427,930 139.065,931 153.024,932 101.693,933 133.146,935 0.597,936 0.355,937 0.202,938 0.12,939 22,940 10,941 0.048,942 2,943 2,944 1.211,945 3.496,946 211.577,947 0.211,948 19,949 108.039,954 15.156,955 5.603,956 2.49,957 3.33,958 99.917,959 11.096,960 17.533,964 2.616,965 1.868,966 32.897,967 387.864,968 37.5,980 39.353,981 44.01,983 0.303,984 0.721,985 0.849,986 0.905,987 0.905,988 0.905,989 4.9,990 1.501,991 5.808,992 4.416,993 4.394,994 5.066,996 6.688,997 4.291,998 6.161,999 1.064,1000 7.41,1001 4.065,1002 4.111,1003 5.047,1005 7.716,1006 3.95,1007 7.507,1008 0.827,1009 9.112,1010 2.761,1011 6.052,1012 7.441,1014 10.864,1015 5.874,1016 8.893,1017 0.694,1018 10.872,1019 2.067,1020 6.567,1021 8.254,1023 12.736,1024 6.35,1025 10.311,1026 -0.108,1027 12.67,1028 1.685,1029 8.019,1030 10.133,1032 15.421,1033 7.781,1034 11.754,1035 -0.302,1036 14.494,1037 -0.26,1038 8.899,1039 11.339,1041 17.648,1042 8.628,1043 13.217,1044 -0.618,1045 16.338,1046 -0.705,1047 10.169,1048 13.009,1050 20.186,1051 9.873,1052 3.339,1053 -0.715,1054 18.199,1055 -1.82,1056 11.216,1057 14.399,1059 22.563,1060 10.888,1061 2.948,1062 12.088,1063 20.072,1064 -2,1065 12.422,1066 15.985,1068 25.057,1069 12.064,1070 2.57,1071 9.449,1072 21.955,1073 4.737,1074 13.545,1075 17.457,1077 27.497,1078 13.154,1079 2.407,1080 8.608,1081 23.847,1082 4.36,1083 14.732,1084 19.011,1086 29.982,1087 14.309,1088 2.08,1089 7.488,1090 25.747,1091 3.353,1092 15.891,1093 20.52,1095 32.449,1096 15.433,1097 1.742,1098 5.803,1099 27.653,1100 3.19,1101 17.075,1102 22.063,1104 34.934,1105 16.584,1106 1.618,1107 4.818,1108 29.565,1109 2.849,1110 18.251,1111 23.588,1113 37.413,1114 17.725,1115 5640,1116 9897,1117 17.918,1118 27.699,1119 42.027,1120 42.109,1121 43.581,1122 41.782,1123 41.583,1124 57.839,1126 126.496,1127 39.24,1128 5.431,1129 5.376,1130 6.567,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.222,1137 12.207,1138 1.557,1139 1.56,1140 1.614,1141 1.547,1142 1.54,1143 2.142,1145 4.685,1146 1.453,1147 4.157,1148 4.198,1149 4.152,1150 4.055,1151 5.259,1152 4.066,1153 3.99,1154 4.026,1155 4.019,1156 3.86,1157 5.084,1158 3.883,1159 3.578,1160 3.656,1161 3.643,1162 3.422,1163 4.865,1164 3.411,1165 3.463,1166 3.5,1167 3.445,1168 3.36,1169 4.616,1170 3.36,1171 3.158,1172 3.245,1173 3.157,1174 2.951,1175 4.469,1176 2.971,1177 3.007,1178 3.107,1179 3.008,1180 2.839,1181 4.104,1182 2.84,1183 2.957,1184 3.021,1185 2.883,1186 2.683,1187 4.003,1188 2.72,1189 2.874,1190 3.009,1191 2.725,1192 2.618,1193 3.866,1194 2.57,1195 0.176,1196 0.125,1197 0.261,1198 0.159,1199 0.124,1200 4.762,1201 0.175,1202 3.376,1204 7.039,1205 0.448,1206 4.303,1207 0.119,1208 3.339,1209 4.737,1211 12.088,1212 3.222,1213 2.043,1214 2.023,1215 2.104,1216 2.117,1217 1.237,1218 2.117,1219 1.824,1220 1.781,1221 1.948,1222 2.019,1223 1.145,1224 1.992,1225 1.646,1226 1.584,1227 1.802,1228 1.844,1229 0.896,1230 1.841,1231 1.439,1232 1.397,1233 1.571,1234 1.573,1235 0.624,1236 1.582,1237 1.099,1238 1.037,1239 1.417,1240 1.362,1241 0.469,1242 1.343,1243 0.939,1244 0.877,1245 1.254,1246 1.239,1247 0.277,1248 1.308,1249 0.934,1250 0.804,1251 1.173,1252 1.206,1253 0.128,1254 1.205,1255 0.819,1256 0.748,1257 1.013,1258 1.1,1259 0.033,1260 1.092,1261 4.007,1263 5.371,1264 2.398,1265 6.934,1266 4.844,1267 8.592,1268 7.081,1269 10.3,1271 4.113,1272 5.953,1275 6.106,1281 0.163,1289 26.59,1290 62.531,1291 148.605,1292 175.011,1293 186.621,1294 186.621,1295 186.621,1296 30.78,1297 7.586,1298 82.51,1299 82.51,1300 23,1301 12.725,1302 4.459,1303 3.524,1304 33.701,1305 74,1306 84,1307 0.227,1308 167.019,1309 267.07,1310 399.286,1311 18888,1312 2.6,1313 16.845,1314 0.702,1315 0.583,1316 17.345,1317 13.989,1318 11.542,1319 0.427,1320 0.295,1321 7.534,1322 10.86,1323 7.269,1324 6.05,1325 11.83,1326 7.975,1327 10.968,1328 0.274,1329 0.157,1330 11.377,1331 6.273,1332 9.315,1333 0.166,1334 0.074,1335 9.577,1336 4.146,1337 8.19,1338 0.104,1339 0.037,1340 8.425,1341 2.96,1342 7.068,1343 0.067,1344 0.02,1345 7.33,1346 2.127,1347 0.343,1348 74.977,1349 0.236,1350 22.807,1351 0.664,1352 134,1353 373.741,1354 161.659,1355 402.283,1356 559.08,1357 376,1358 163,1359 414.973,1360 185.387,1361 430.896,1362 637.5,1363 406,1364 5.495}
{0 CHEMBL1241684,1 1.703,2 8.75,3 3.339,4 11.147,5 98.316,6 8.652,7 0.741,8 3.796,9 3.909,10 3.545,11 3.42,12 4.988,13 3.386,14 4.291,15 4.447,16 3.97,17 3.834,18 5.415,19 3.78,20 4.472,21 4.645,22 4.028,23 3.923,24 5.603,25 3.857,26 4.572,27 4.776,28 4.009,29 3.924,30 5.716,31 3.842,32 4.446,33 4.635,34 3.908,35 3.833,36 5.539,37 3.745,38 4.382,39 4.552,40 3.841,41 3.795,42 5.524,43 3.688,44 4.425,45 4.658,46 3.438,47 3.677,48 5.428,49 3.536,50 4.264,51 4.534,52 3.222,53 3.411,54 5.283,55 3.298,56 0.066,57 0.636,58 6.511,59 3.324,60 9.097,61 3.822,62 0.183,63 1.029,64 13.417,65 5.908,66 21.357,67 6.902,68 0.206,69 1.224,70 18.72,71 7.022,72 19.146,73 8.07,74 0.371,75 1.314,76 22.615,77 7.973,78 40.473,79 9.331,80 0.252,81 1.161,82 18.04,83 6.375,84 27.04,85 7.564,86 0.186,87 1.092,88 19.752,89 7.281,90 23.154,91 7.773,92 0.262,93 1.085,94 24.332,95 7.716,96 31.31,97 8.877,98 0.24,99 0.84,100 16.51,101 5.85,102 32.321,103 8.106,104 21,105 40,106 0.297,107 0.694,108 0.8,109 0.835,110 0.835,111 0.835,112 3.23,113 0.931,114 -4.98,115 -4.89,116 -4.58,118 43.6,119 2,126 1,138 4,139 3,142 1,143 1,144 1,148 2,150 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 7,172 1,173 1,175 1,178 9,180 1,181 1,182 6,188 8,191 2,192 7,194 3,195 3,199 5,204 8,208 2,211 2,213 2,215 9,220 3,223 6,225 3,228 6,233 2,235 2,237 2,239 1,240 5,245 2,247 4,249 2,251 1,260 4,264 764,265 16.248,266 16.248,267 16.248,268 16.248,269 16.248,270 13.979,271 10.132,272 9.255,273 16.657,274 13.265,275 13.265,276 13.265,277 13.265,278 13.265,279 9.626,280 7.5,281 4.302,282 13.954,283 3.582,284 1.312,285 0.705,286 0.5,287 0.5,288 0.5,289 3.924,292 1,293 1,294 1,295 458,296 2.915,299 85.817,300 112.858,303 166.992,307 1.375,308 20.855,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 51.5,320 210,321 4.771,322 3.382,323 7.042,324 4.302,325 3.347,326 4.749,328 12.1,329 3.195,330 4.468,331 3.073,332 6.336,333 3.946,334 2.995,335 4.411,337 9.734,338 2.855,339 3.857,340 2.875,341 6.058,342 3.509,343 2.553,344 3.317,346 8.49,347 2.432,348 3.772,349 2.648,350 5.675,351 3.368,352 2.407,353 3.193,355 7.384,356 2.305,357 3.527,358 2.319,359 5.219,360 3.093,361 2.125,362 2.905,364 6.439,365 2.04,366 3.037,367 1.853,368 4.819,369 2.681,370 1.741,371 2.303,373 4.817,374 1.633,375 3.021,376 1.802,377 4.428,378 2.499,379 1.535,380 2.162,382 4.316,383 1.468,384 2.902,385 1.535,386 4.388,387 2.331,388 1.419,389 2.078,391 3.865,392 1.283,393 2.484,394 1.403,395 3.855,396 1.963,397 1.02,398 1.466,400 2.721,401 0.955,402 2.309,403 1.012,404 3.482,405 1.742,406 0.787,407 1.039,409 1.997,410 0.739,411 2.104,412 0.812,413 3.183,414 1.656,415 0.626,416 0.945,417 1.331,418 0.63,419 1.87,420 0.444,421 2.796,422 1.253,423 0.263,424 0.423,425 0.466,426 0.257,427 1.06,428 -0.156,429 2.604,430 0.622,431 -0.29,432 -0.37,433 -0.678,434 -0.264,435 0.853,436 -0.497,437 2.417,438 0.368,439 -0.621,440 -0.889,441 -1.594,442 -0.602,443 0.671,444 -0.734,445 2.252,446 0.155,447 -0.789,448 -1,449 -2,450 -0.74,451 11.667,452 0.486,453 0.678,454 0.028,455 33.75,456 1.406,457 18,458 0.75,459 15.75,460 0.656,461 18.845,462 0.785,463 24.333,464 0.624,465 22.972,466 0.957,467 6.34,468 0.264,469 5.24,470 0.218,471 0.149,473 0.42,478 0.725,479 1.068,480 0.689,481 0.826,482 0.692,483 0.797,484 0.721,485 0.901,486 0.703,487 0.739,488 0.599,489 0.71,490 0.918,491 1.151,492 1.01,493 1.028,494 0.587,495 0.918,496 0.969,497 0.887,498 1.007,499 0.928,500 0.922,501 0.89,502 1.115,503 1.097,504 1.016,505 1.022,506 0.892,507 1.034,508 1.029,509 1.357,510 1.436,511 1.448,512 0.969,513 1.245,514 1.016,515 1.091,516 1.595,517 1.359,518 0.755,519 1.218,520 0.722,521 0.858,522 0.653,523 0.754,524 0.65,525 0.925,526 5,527 0.054,528 2.889,529 2.333,530 1.972,531 0.736,532 0.727,533 0.317,534 0.24,535 0.164,536 5835,537 17134,538 2.11,539 38.5,541 5,543 2,544 2,546 6,549 1.674,550 1.946,551 3.105,552 0.337,553 1,554 1,558 66.431,559 1.703,560 3.974,561 4.58,562 4.785,563 4.785,564 4.785,565 2.555,566 4.418,567 4.555,568 3.238,569 893.594,570 7.888,571 10018,572 1,573 1,575 1,576 206.131,577 1.483,578 4.504,579 0.185,580 0.008,581 0.072,582 0.057,583 0.051,584 0.022,585 0.023,586 0.014,587 0.013,588 0.013,589 0.457,590 0.33,591 1,592 0.921,593 111.397,594 -0.009,595 0.022,596 0.055,597 0.066,598 -0.086,599 0.048,600 0.08,601 0.159,602 0.185,603 0.217,604 0.035,605 0.196,606 -0.075,607 -0.081,608 -0.009,609 -0.027,610 0.024,611 0.001,612 0.041,613 0.149,614 0.027,615 0.067,616 -0.013,617 0.056,618 -0.181,619 -0.055,620 -0.038,621 -0.05,622 -0.101,623 -0.108,624 -0.139,625 -0.302,626 -0.24,627 -0.312,628 -0.103,629 -0.288,630 -0.219,631 -0.082,632 -0.409,633 -0.262,634 -0.112,635 -0.2,636 0.105,637 0.007,638 0.134,639 0.079,640 0.129,641 0.113,642 1.243,643 3.979,644 0.75,645 17.931,646 1.008,647 1.12,648 3.754,649 14.094,650 0.716,651 3.332,652 3.714,653 4.06,654 4.407,655 4.673,656 4.844,657 4.99,658 5.17,659 5.198,660 5.273,661 5.241,662 0.683,663 337.44,664 3.332,665 4.905,666 5.796,667 6.715,668 7.63,669 8.557,670 9.48,671 10.409,672 11.336,673 12.268,674 12.8,678 1,682 1,684 3,689 4,690 5,691 3,694 1,695 4,696 1,697 20,698 1,708 1,716 39,718 21,719 1,720 27,722 42,723 17,724 13,725 3,726 3,727 1,728 4,729 6,732 2,738 1,740 14,741 3,744 1,749 1,751 1,756 1,757 1,760 15,761 5,762 2,763 7,764 1,769 5,775 0.5,776 1,785 1,788 1,793 2,794 2,797 2,819 2,821 1,823 2,827 24,828 1,837 1,845 1,850 2.6,853 1,858 12.333,859 7.8,860 5.194,861 2.336,863 4.151,864 1.546,865 1.031,866 3.575,867 11.755,868 3.664,869 4.376,870 5.112,871 5.825,872 6.421,873 6.913,874 7.426,875 7.959,876 8.289,877 8.731,878 0.833,879 41,880 8.816,881 3.82,882 7.771,883 16.775,884 14.084,885 2.271,886 54.5,890 153.024,891 124.112,892 84.908,894 25.145,896 31.278,897 92.834,898 178.169,899 84.908,900 17.65,902 70.802,903 112.061,904 21.483,905 4.432,906 160.76,908 153.024,909 177.742,910 25.145,911 31.278,913 82.398,914 95.772,917 32.518,918 83.566,919 61.658,920 31.278,921 153.024,922 110.053,923 124.112,926 153.024,927 48.513,928 77.375,930 108.276,931 153.024,932 110.053,933 124.112,935 0.593,936 0.36,937 0.204,938 0.117,939 22,940 10,941 0.071,942 3,943 2,944 1.222,945 3.5,946 211.789,947 0.222,948 18,949 108.039,950 1,954 15.218,955 5.639,956 2.418,957 3.618,958 108.276,959 9.144,960 13.21,963 1.615,964 2.852,965 1.865,966 32.897,967 387.189,968 38,973 10.979,975 0.853,980 39.331,981 43.697,983 0.322,984 0.752,985 0.867,986 0.905,987 0.905,988 0.905,989 4.913,990 1.419,991 5.814,992 4.316,993 4.394,994 5.063,996 6.703,997 4.297,998 6.171,999 1.02,1000 7.421,1001 3.865,1002 4.111,1003 5.047,1005 7.74,1006 3.966,1007 7.515,1008 0.787,1009 9.127,1010 2.721,1011 6.061,1012 7.442,1014 10.89,1015 5.874,1016 8.903,1017 0.626,1018 10.89,1019 1.997,1020 6.594,1021 8.285,1023 12.768,1024 6.355,1025 10.326,1026 0.263,1027 12.689,1028 1.331,1029 8.043,1030 10.149,1032 15.452,1033 7.765,1034 11.773,1035 -0.29,1036 14.515,1037 0.466,1038 8.938,1039 11.381,1041 17.681,1042 8.607,1043 13.241,1044 -0.621,1045 16.361,1046 -0.678,1047 10.206,1048 13.042,1050 20.218,1051 9.835,1052 3.347,1053 -0.789,1054 18.222,1055 -1.594,1056 11.263,1057 14.449,1059 22.595,1060 10.84,1061 2.995,1062 12.1,1063 20.095,1064 -2,1065 12.469,1066 16.031,1068 25.088,1069 12.004,1070 2.553,1071 9.734,1072 21.979,1073 4.749,1074 13.598,1075 17.514,1077 27.527,1078 13.083,1079 2.407,1080 8.49,1081 23.872,1082 4.411,1083 14.786,1084 19.067,1086 30.011,1087 14.227,1088 2.125,1089 7.384,1090 25.772,1091 3.317,1092 15.949,1093 20.583,1095 32.477,1096 15.342,1097 1.741,1098 6.439,1099 27.678,1100 3.193,1101 17.135,1102 22.127,1104 34.961,1105 16.483,1106 1.535,1107 4.817,1108 29.59,1109 2.905,1110 18.313,1111 23.657,1113 37.44,1114 17.614,1115 5623,1116 9765,1117 17.918,1118 27.938,1119 42.465,1120 43.474,1121 43.782,1122 41.753,1123 41.635,1124 57.979,1126 127.317,1127 39.585,1128 5.46,1129 5.382,1130 6.59,1131 5.428,1132 5.347,1133 7.749,1135 19.606,1136 5.195,1137 12.252,1138 1.573,1139 1.61,1140 1.622,1141 1.546,1142 1.542,1143 2.147,1145 4.715,1146 1.466,1147 4.164,1148 4.196,1149 4.356,1150 4.141,1151 7.452,1152 4.102,1153 3.998,1154 4.024,1155 4.031,1156 3.878,1157 5.256,1158 3.899,1159 3.579,1160 3.656,1161 3.582,1162 3.439,1163 4.896,1164 3.415,1165 3.476,1166 3.491,1167 3.445,1168 3.384,1169 4.788,1170 3.37,1171 3.175,1172 3.248,1173 3.094,1174 2.949,1175 4.501,1176 2.972,1177 3.033,1178 3.114,1179 2.914,1180 2.861,1181 4.149,1182 2.861,1183 2.97,1184 3.049,1185 2.886,1186 2.682,1187 3.981,1188 2.718,1189 2.874,1190 3.009,1191 2.845,1192 2.618,1193 3.686,1194 2.57,1195 0.177,1196 0.125,1197 0.261,1198 0.159,1199 0.124,1200 4.771,1201 0.176,1202 3.382,1204 7.042,1205 0.448,1206 4.302,1207 0.118,1208 3.347,1209 4.749,1211 12.1,1212 3.195,1213 1.937,1214 1.924,1215 2.007,1216 2.025,1217 1.159,1218 2.004,1219 1.843,1220 1.808,1221 1.949,1222 1.99,1223 1.147,1224 1.995,1225 1.67,1226 1.613,1227 1.816,1228 1.858,1229 0.963,1230 1.858,1231 1.42,1232 1.389,1233 1.486,1234 1.536,1235 0.619,1236 1.553,1237 1.178,1238 1.174,1239 1.417,1240 1.373,1241 0.469,1242 1.352,1243 1.011,1244 0.937,1245 1.274,1246 1.311,1247 0.342,1248 1.308,1249 0.934,1250 0.804,1251 1.216,1252 1.239,1253 0.192,1254 1.304,1255 0.842,1256 0.763,1257 1.091,1258 1.142,1259 0.04,1260 1.134,1261 4.007,1263 5.371,1264 3.045,1265 6.929,1266 5.476,1267 8.578,1268 7.662,1269 10.276,1271 4.103,1275 6.102,1281 0.159,1289 26.643,1290 66.431,1291 154.969,1292 178.621,1293 186.621,1294 186.621,1295 186.621,1296 33.551,1297 7.604,1298 86.69,1299 114.93,1300 22,1301 12.77,1302 4.459,1303 3.585,1304 33.691,1305 74,1306 88,1307 0.228,1308 167.019,1309 268.16,1310 399.286,1311 18943,1313 16.845,1314 0.702,1315 0.585,1316 17.198,1317 14.041,1318 11.58,1319 0.429,1320 0.31,1321 7.537,1322 10.718,1323 7.226,1324 6.015,1325 11.988,1326 8.377,1327 10.796,1328 0.27,1329 0.174,1330 11.438,1331 6.954,1332 9.436,1333 0.166,1334 0.088,1335 10.242,1336 5.04,1337 8.258,1338 0.102,1339 0.047,1340 9.132,1341 3.814,1342 6.872,1343 0.065,1344 0.026,1345 7.773,1346 2.745,1347 0.344,1348 76.411,1349 0.236,1350 22.793,1351 0.668,1352 134,1353 384.489,1354 170.498,1355 399.303,1356 557.57,1357 374,1358 164,1359 409.763,1360 199.621,1361 432.677,1362 639.93,1363 407,1364 4.658}
{0 CHEMBL1241767,1 1.569,2 10.568,3 4.916,4 24.167,5 142.317,6 8.16,7 0.667,8 4.225,9 4.339,10 3.875,11 3.8,12 5.428,13 3.8,14 4.711,15 4.864,16 4.277,17 4.197,18 5.88,19 4.188,20 4.94,21 5.103,22 4.409,23 4.346,24 6.113,25 4.333,26 5.073,27 5.26,28 4.46,29 4.379,30 6.289,31 4.36,32 5.132,33 5.326,34 4.432,35 4.396,36 6.334,37 4.373,38 5.123,39 5.315,40 4.434,41 4.426,42 6.297,43 4.396,44 5.16,45 5.369,46 4.45,47 4.464,48 6.331,49 4.414,50 5.166,51 5.384,52 4.328,53 4.452,54 6.256,55 4.383,56 0.094,57 0.942,58 10.144,59 4.82,60 14.051,61 5.764,62 0.26,63 1.515,64 18.646,65 8.039,66 22.85,67 10.194,68 0.306,69 1.866,70 24.352,71 9.751,72 34.453,73 12.076,74 0.484,75 2.099,76 29.895,77 11.18,78 53.505,79 14.263,80 0.668,81 2.156,82 33.509,83 11.307,84 81.971,85 13.88,86 0.556,87 2.158,88 32.395,89 11.395,90 75.437,91 14.295,92 0.631,93 2.225,94 34.721,95 12.907,96 73.979,97 17.207,98 0.505,99 2.188,100 35.761,101 12.944,102 63.56,103 16.814,104 26,105 62,106 0.247,107 0.629,108 0.749,109 0.854,110 0.896,111 0.896,112 3.643,113 0.84,114 -5.91,115 -5.76,116 -5.37,118 46.7,119 2,124 1,138 11,139 5,140 3,142 1,143 1,144 1,153 2,156 1,158 1,159 1,160 1,161 1,167 14,170 4,171 11,172 1,173 1,175 3,178 16,180 1,181 3,182 10,186 2,188 11,191 5,192 18,194 3,195 3,197 2,199 5,201 1,203 3,204 20,206 1,208 3,211 6,213 2,214 1,215 16,218 1,220 1,223 10,225 1,227 3,228 19,230 2,231 4,232 1,233 1,234 1,235 16,237 1,240 11,247 15,251 1,252 11,254 1,255 3,257 4,260 17,262 4,264 2444,265 25.137,266 25.137,267 25.137,268 25.137,269 25.137,270 21.396,271 26.185,272 14.505,273 25.545,274 20.732,275 20.732,276 20.732,277 20.732,278 20.732,279 15.125,280 33.752,281 6.859,282 21.431,283 4.338,284 1.918,285 1.159,286 0.492,287 0.225,288 0.225,289 4.358,294 1,295 868,296 2.915,299 67.778,300 452.832,303 130.755,304 152.256,307 1.41,308 39.146,311 0.75,312 0.33,313 1,314 0.6,316 1,317 1,318 0.67,319 79.5,320 391,321 4.75,322 3.876,323 7.051,324 4.316,325 3.352,326 4.724,327 1.545,328 12.087,329 3.236,330 4.618,331 3.358,332 6.996,333 4.259,334 3.289,335 4.226,336 1.063,337 11.925,338 3.19,339 4.23,340 3.106,341 6.491,342 3.858,343 2.877,344 3.833,345 0.291,346 10.01,347 2.819,348 4.068,349 2.93,350 6.02,351 3.64,352 2.668,353 3.69,354 0.207,355 8.578,356 2.589,357 3.83,358 2.761,359 5.74,360 3.421,361 2.461,362 3.228,364 7.661,365 2.361,366 3.62,367 2.705,368 5.571,369 3.191,370 2.235,371 3.007,373 6.977,374 2.135,375 3.505,376 2.38,377 5.272,378 3.081,379 2.131,380 2.875,382 6.269,383 2.016,384 3.468,385 2.295,386 5.03,387 3.033,388 2.06,389 2.723,391 5.927,392 1.992,393 3.141,394 2.098,395 4.848,396 2.753,397 1.763,398 2.33,400 5.022,401 1.739,402 2.967,403 1.72,404 4.474,405 2.444,406 1.499,407 2.181,409 4.062,410 1.422,411 2.887,412 1.54,413 4.349,414 2.425,415 1.45,416 2.052,417 3.887,418 1.414,419 2.842,420 1.489,421 4.25,422 2.414,423 1.414,424 1.973,425 3.574,426 1.401,427 2.709,428 1.407,429 3.815,430 2.214,431 1.259,432 1.786,433 2.997,434 1.199,435 2.677,436 1.337,437 3.655,438 2.179,439 1.204,440 1.751,441 2.721,442 1.17,443 2.647,444 1.227,445 3.6,446 2.162,447 1.157,448 1.677,449 2.675,450 1.159,451 17.467,452 0.472,453 1.011,454 0.027,455 55.75,456 1.507,457 31,458 0.838,459 24.75,460 0.669,461 30.536,462 0.825,463 37.133,464 0.619,465 48.271,466 1.305,467 11.005,468 0.297,469 6.914,470 0.187,471 0.118,473 0.418,478 0.832,479 1.17,480 0.712,481 0.923,482 0.818,483 0.82,484 0.64,485 1.043,486 0.676,487 0.889,488 0.564,489 0.804,490 1.028,491 1.196,492 0.89,493 1.026,494 0.937,495 0.947,496 0.971,497 1.136,498 0.913,499 1.063,500 0.916,501 0.99,502 1.472,503 1.074,504 1.097,505 0.922,506 1.518,507 0.942,508 1.279,509 1.132,510 1.067,511 0.963,512 1.299,513 0.97,514 0.752,515 0.959,516 0.907,517 0.942,518 0.63,519 0.942,520 1.126,521 0.949,522 1.109,523 0.952,524 0.943,525 1.002,526 6.5,527 0.298,528 4.444,529 3.979,530 3.042,531 1.48,532 1.294,533 0.765,534 0.711,535 0.461,536 19095,537 51096,538 2.147,539 38.3,540 6,541 13,543 1,544 3,549 1.79,550 2,551 3.381,552 0.782,558 94.114,559 1.569,560 3.989,561 4.747,562 5.415,563 5.682,564 5.682,565 2.678,566 5.101,567 5.185,568 3.547,569 2362.23,570 9.175,571 36333.1,576 354.413,577 1.434,578 5.138,579 0.155,580 0.007,581 0.072,582 0.058,583 0.043,584 0.022,585 0.019,586 0.011,587 0.011,588 0.008,589 0.405,590 0.17,591 0.63,592 0.531,593 197.9,594 -0.051,595 -0.063,596 0.039,597 0.019,598 -0.139,599 0.036,600 0.154,601 0.043,602 0.154,603 0.056,604 0.06,605 0.092,606 -0.056,607 -0.119,608 -0.019,609 -0.092,610 -0.076,611 -0.058,612 0.098,613 -0.074,614 0.023,615 -0.134,616 0.092,617 -0.084,618 -0.167,619 -0.022,620 -0.12,622 -0.136,623 -0.044,624 -0.156,625 -0.078,626 -0.118,627 -0.031,628 -0.147,629 -0.06,630 0.16,631 0.063,632 0.056,633 0.021,634 0.168,635 0.021,636 -0.198,637 0.055,638 -0.133,639 0.02,640 -0.118,641 -0.026,642 1.814,643 6.915,644 0.838,645 33.731,646 1.007,647 1.12,648 4.678,649 21.882,650 0.701,651 3.761,652 4.143,653 4.5,654 4.86,655 5.142,656 5.298,657 5.513,658 5.73,659 5.903,660 6.038,661 6.684,662 0.68,663 489.58,664 3.761,665 5.342,666 6.236,667 7.157,668 8.069,669 8.998,670 9.918,671 10.85,672 11.775,673 12.709,674 11.7,678 1,681 1,682 1,683 1,684 3,689 2,690 12,691 3,695 9,696 1,697 28,705 1,708 1,713 1,716 60,718 30,719 3,720 42,722 65,723 28,724 23,725 7,726 11,727 2,728 6,729 8,732 2,740 25,741 3,744 2,749 1,752 1,753 2,760 23,761 8,762 3,763 9,769 7,771 1,775 0.667,776 2,785 1,788 1,793 1,794 5,797 1,798 1,819 4,823 2,827 37,828 1,832 1,833 1,838 1,850 3.3,852 1,853 1,858 18.5,859 11.65,860 7.917,861 3.468,863 5.449,864 1.614,865 1.032,866 5.563,867 14.33,868 4.078,869 4.76,870 5.427,871 6.096,872 6.668,873 7.028,874 7.515,875 8.015,876 8.423,877 8.834,878 0.857,879 69,880 13.682,881 6.04,882 7.775,883 25.796,884 21.635,885 2.275,886 84.167,890 235.422,891 167.275,892 104.818,894 67.828,897 167.275,898 303.25,899 104.818,900 17.65,901 5.23,902 137.136,903 138.581,904 50.766,905 2.328,906 223.651,908 235.422,909 272.092,910 67.828,913 235.422,914 67.828,917 54.533,918 167.325,919 50.234,921 235.422,922 172.646,923 167.275,926 235.422,927 36.767,928 135.409,930 167.745,931 235.422,932 172.646,933 167.275,935 0.593,936 0.362,937 0.212,938 0.118,939 33,940 15,941 0.062,942 4,943 2,944 1.129,945 4.45,946 403.65,947 0.129,948 31,949 186.75,954 23.048,955 8.931,956 3.875,957 1.065,958 170.869,959 21.502,960 13.424,964 5.324,965 1.672,966 75.581,967 575.343,968 58,973 13.915,976 4.922,977 0.354,980 60.436,981 67.229,983 0.266,984 0.675,985 0.804,986 0.917,987 0.962,988 0.962,989 5.338,990 2.06,991 6.248,992 6.269,993 4.828,994 5.449,995 2.032,996 7.141,997 4.764,998 6.584,999 1.763,1000 7.855,1001 5.927,1002 4.511,1003 5.33,1004 1.048,1005 8.192,1006 4.41,1007 7.921,1008 1.499,1009 9.565,1010 5.022,1011 6.494,1012 7.734,1013 2.416,1014 11.372,1015 6.365,1016 9.296,1017 1.45,1018 11.336,1019 4.062,1020 7.004,1021 8.45,1022 2.041,1023 13.274,1024 6.841,1025 10.704,1026 1.414,1027 13.147,1028 3.887,1029 8.475,1030 10.328,1031 2.983,1032 15.982,1033 8.283,1034 12.136,1035 1.259,1036 14.986,1037 3.574,1038 9.364,1039 11.455,1040 2.968,1041 18.228,1042 9.139,1043 13.588,1044 1.204,1045 16.845,1046 2.997,1047 10.645,1048 13.116,1049 3.676,1050 20.781,1051 10.39,1052 3.352,1053 1.157,1054 18.72,1055 2.721,1056 11.704,1057 14.448,1058 3.87,1059 23.165,1060 11.415,1061 3.289,1062 12.087,1063 20.608,1064 2.675,1065 12.919,1066 16.02,1067 4.449,1068 25.666,1069 12.599,1070 2.877,1071 11.925,1072 22.505,1073 4.724,1074 14.052,1075 17.453,1076 4.758,1077 28.107,1078 13.698,1079 2.668,1080 10.01,1081 24.411,1082 4.226,1083 15.246,1084 18.993,1085 5.269,1086 30.593,1087 14.86,1088 2.461,1089 8.578,1090 26.322,1091 3.833,1092 16.412,1093 20.477,1094 5.639,1095 33.057,1096 15.991,1097 2.235,1098 7.661,1099 28.24,1100 3.69,1101 17.603,1102 22.008,1103 6.113,1104 35.539,1105 17.148,1106 2.131,1107 6.977,1108 30.161,1109 3.228,1110 18.784,1111 23.517,1112 6.515,1113 38.013,1114 18.295,1115 17665,1116 29101,1117 28.263,1118 42.04,1119 65.09,1120 65.687,1121 67.504,1122 64.142,1123 64.061,1124 87.487,1125 6.211,1126 194.949,1127 61.994,1128 5.664,1129 5.876,1130 6.735,1131 5.39,1132 5.352,1133 7.724,1134 2.671,1135 19.723,1136 5.236,1137 17.998,1138 1.55,1139 1.564,1140 1.607,1141 1.527,1142 1.525,1143 2.083,1144 0.148,1145 4.642,1146 1.476,1147 4.146,1148 4.191,1149 4.127,1150 4.011,1151 7.428,1152 4.032,1153 4.015,1154 4.044,1155 3.985,1156 3.925,1157 6.471,1158 3.934,1159 3.874,1160 3.903,1161 3.81,1162 3.821,1163 5.256,1164 3.815,1165 3.829,1166 3.859,1167 3.774,1168 3.722,1169 4.897,1170 3.734,1171 3.516,1172 3.582,1173 3.445,1174 3.333,1175 4.817,1176 3.354,1177 3.296,1178 3.363,1179 3.245,1180 3.056,1181 4.708,1182 3.084,1183 3.192,1184 3.262,1185 3.084,1186 3.026,1187 4.619,1188 3.028,1189 3.169,1190 3.255,1191 2.967,1192 3.017,1193 4.456,1194 2.997,1195 0.113,1196 0.092,1197 0.168,1198 0.103,1199 0.08,1200 4.75,1201 0.112,1202 3.876,1203 0.037,1204 7.051,1205 0.288,1206 4.316,1207 0.077,1208 3.352,1209 4.724,1210 1.545,1211 12.087,1212 3.236,1213 1.987,1214 1.961,1215 2.071,1216 2.105,1217 1.208,1218 2.092,1219 1.927,1220 1.906,1221 2.008,1222 2.026,1223 1.119,1224 2.016,1225 1.882,1226 1.855,1227 2.004,1228 1.961,1229 1.118,1230 1.976,1231 1.77,1232 1.727,1233 1.84,1234 1.949,1235 0.973,1236 1.927,1237 1.508,1238 1.449,1239 1.657,1240 1.729,1241 0.776,1242 1.712,1243 1.229,1244 1.176,1245 1.552,1246 1.489,1247 0.604,1248 1.477,1249 1.209,1250 1.135,1251 1.53,1252 1.418,1253 0.596,1254 1.469,1255 1.197,1256 1.125,1257 1.312,1258 1.402,1259 0.358,1260 1.413,1261 4.443,1263 5.808,1264 2.398,1265 7.38,1266 4.844,1267 9.05,1268 7.066,1269 10.772,1271 3.875,1275 6.257,1276 10.055,1277 0.152,1282 1.65,1289 40.794,1290 94.114,1291 239.34,1292 284.85,1293 324.904,1294 340.904,1295 340.904,1296 64.889,1297 8.88,1298 124.74,1299 124.74,1300 35,1301 13.21,1302 4.954,1303 4.087,1304 50.547,1305 148,1306 145,1307 0.166,1308 246.637,1309 419.28,1310 593.555,1311 98443,1313 25.681,1314 0.694,1315 0.547,1316 25.681,1317 20.251,1318 17.919,1319 0.427,1320 0.28,1321 11.611,1322 17.319,1323 11.29,1324 9.371,1325 17.919,1326 11.758,1327 16.68,1328 0.269,1329 0.144,1330 16.68,1331 8.938,1332 14.683,1333 0.165,1334 0.073,1335 14.683,1336 6.501,1337 13.405,1338 0.105,1339 0.037,1340 13.405,1341 4.74,1342 11.08,1343 0.065,1344 0.019,1345 11.08,1346 3.243,1347 0.252,1348 111.755,1349 0.188,1350 32.651,1351 0.481,1352 208,1353 585.068,1354 226.611,1355 578.887,1356 814.34,1357 542,1358 255,1359 630.65,1360 275.667,1361 640.732,1362 949.12,1363 604,1364 4.301}
{0 CHEMBL1241768,1 1.817,2 7.87,3 1.876,4 3.518,5 87.506,6 8.967,7 0.615,8 3.777,9 3.884,10 3.493,11 3.289,12 4.969,13 3.309,14 4.295,15 4.438,16 3.902,17 3.703,18 5.449,19 3.707,20 4.508,21 4.691,22 3.987,23 3.791,24 5.687,25 3.768,26 4.506,27 4.714,28 3.89,29 3.753,30 5.675,31 3.728,32 4.432,33 4.621,34 3.802,35 3.722,36 5.573,37 3.699,38 4.415,39 4.592,40 3.814,41 3.708,42 5.581,43 3.672,44 4.504,45 4.726,46 3.722,47 3.628,48 5.712,49 3.542,50 4.365,51 4.63,52 3.39,53 3.316,54 5.425,55 3.18,56 0.15,57 0.594,58 5.656,59 2.961,60 14.454,61 3.316,62 0.343,63 0.938,64 11.896,65 5.145,66 25.822,67 5.915,68 0.536,69 1.082,70 19.109,71 6.289,72 42.733,73 7.728,74 0.54,75 1.097,76 20.951,77 6.161,78 43.999,79 7.938,80 0.44,81 1.046,82 14.422,83 5.281,84 35.328,85 6.632,86 0.374,87 0.998,88 14.064,89 5.559,90 31.185,91 6.924,92 0.608,93 0.932,94 19.863,95 6.568,96 61.845,97 8.715,98 0.605,99 0.647,100 23.354,101 6.407,102 61.962,103 8.429,104 10,105 38,106 0.325,107 0.747,108 0.852,109 0.894,110 0.894,111 0.894,112 3.19,113 0.875,114 -4.13,115 -4.08,116 -3.86,118 40.5,120 1,124 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 1,175 2,178 4,180 1,181 2,182 4,186 3,188 5,191 3,192 6,194 3,195 3,197 2,199 3,201 1,203 1,204 6,206 1,208 3,211 1,213 2,215 5,218 1,220 2,223 3,225 2,227 1,228 3,230 1,231 3,232 1,234 1,235 1,240 3,245 2,249 1,255 1,260 1,264 674,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.702,271 14.553,272 9.039,273 16.165,274 12.821,275 12.821,276 12.821,277 12.821,278 12.821,279 9.901,280 12.608,281 4.272,282 13.748,283 3.392,284 1.038,285 0.453,286 0.216,287 0.216,288 0.216,289 3.884,290 1,292 1,293 1,294 1,295 398,296 2.121,299 92.649,300 116.507,303 82.153,307 1.115,308 27.443,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 50.833,320 181,321 4.763,322 3.4,323 7.05,324 4.31,325 3.347,326 4.733,327 0.86,328 12.146,329 3.222,330 4.218,331 3.181,332 6.261,333 3.787,334 2.843,335 3.88,337 9.314,338 2.68,339 3.878,340 2.865,341 5.971,342 3.594,343 2.651,344 3.243,346 8.322,347 2.49,348 3.68,349 2.46,350 5.68,351 3.256,352 2.324,353 3.086,355 7.318,356 2.121,357 3.239,358 2.271,359 5.078,360 2.92,361 1.994,362 2.365,364 5.689,365 1.841,366 2.996,367 1.882,368 4.469,369 2.445,370 1.513,371 2.231,373 4.136,374 1.406,375 2.82,376 1.688,377 4.235,378 2.347,379 1.414,380 1.948,382 3.533,383 1.28,384 2.638,385 1.529,386 4.038,387 2.253,388 1.342,389 1.684,391 3.509,392 1.216,393 2.442,394 1.091,395 3.662,396 1.958,397 1.035,398 1.423,400 2.565,401 0.942,402 1.857,403 0.939,404 3.249,405 1.617,406 0.683,407 0.784,409 1.743,410 0.63,411 1.618,412 0.87,413 3,414 1.537,415 0.618,416 0.618,417 1.372,418 0.563,419 1.371,420 0.587,421 2.736,422 0.925,423 0.103,424 0.124,425 0.227,426 0.072,427 1.057,428 -0.139,429 2.462,430 0.617,431 -0.292,432 -0.371,433 -0.683,434 -0.265,435 0.781,436 -0.282,437 2.375,438 0.35,439 -0.595,440 -0.769,441 -1.604,442 -0.539,443 0.626,444 -0.628,445 2.333,446 0.122,447 -0.795,448 -1.041,449 -2.197,450 -0.699,451 10.881,452 0.473,453 0.61,454 0.027,455 31,456 1.348,457 15,458 0.652,459 16,460 0.696,461 17.307,462 0.752,463 24.519,464 0.663,465 21.785,466 0.947,467 6.017,468 0.262,469 5.131,470 0.223,471 0.133,473 0.404,478 0.902,479 1.237,480 0.581,481 0.899,482 0.968,483 0.797,484 0.999,485 1.099,486 0.666,487 0.852,488 0.685,489 0.816,490 0.939,491 1.215,492 0.867,493 0.981,494 0.777,495 0.947,496 0.851,497 0.919,498 0.957,499 0.886,500 0.845,501 0.876,502 0.909,503 1.105,504 0.757,505 0.912,506 0.8,507 0.99,508 0.846,509 1.28,510 0.832,511 1.184,512 0.938,513 1.189,514 0.757,515 0.998,516 0.885,517 1.092,518 0.859,519 1.173,520 1.134,521 0.704,522 0.945,523 0.937,524 1.222,525 0.992,526 4,527 0.02,528 3.111,529 1.819,530 1.647,531 0.796,532 0.551,533 0.398,534 0.172,535 0.087,536 5148,537 16947,538 2.141,539 37.8,541 8,543 1,544 3,547 2,549 1.666,550 2,551 2.981,552 1.118,553 1,554 1,556 1,558 67.234,559 1.817,560 4.171,561 4.757,562 4.993,563 4.993,564 4.993,565 2.426,566 3.882,567 4.495,568 3.09,569 781.869,570 7.783,571 8530.29,572 1,573 1,575 1,576 192.75,577 1.422,578 4.454,579 0.154,580 0.01,581 0.082,582 0.048,583 0.045,584 0.023,585 0.017,586 0.016,587 0.012,588 0.012,589 0.419,590 0.5,591 1,592 0.58,593 104.348,594 -0.113,595 -0.048,596 0.005,597 0.024,598 -0.161,599 0.046,600 -0.099,601 0.011,602 0.03,603 0.078,604 0.002,605 0.065,606 -0.026,607 -0.179,608 0.015,609 -0.039,610 0.074,611 -0.018,612 -0.006,613 0.139,614 -0.057,615 0.03,616 -0.015,617 0.054,618 -0.112,619 0.001,620 -0.115,621 -0.037,622 -0.056,623 -0.102,624 -0.058,625 -0.202,626 -0.118,627 -0.271,628 -0.105,629 -0.279,630 0.185,631 -0.055,632 0.01,633 -0.141,634 0.137,635 -0.182,636 0.013,637 0.046,638 0.203,639 0.1,640 -0.003,641 0.122,642 1.675,643 3.872,644 0.87,645 16.378,646 1.024,647 1.133,648 2.905,649 8.439,650 0.692,651 3.296,652 3.664,653 4.007,654 4.331,655 4.575,656 4.754,657 4.913,658 5.056,659 5.075,660 5.004,661 4.871,662 0.676,663 331.79,664 3.296,665 4.86,666 5.746,667 6.655,668 7.565,669 8.484,670 9.403,671 10.327,672 11.25,673 12.177,674 13.5,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 37,718 16,719 1,720 26,722 40,723 15,724 11,725 3,726 3,728 4,729 5,730 1,735 2,738 2,740 11,741 4,756 1,757 1,760 14,761 6,762 3,763 8,764 1,769 5,775 0.75,776 2,781 1,785 1,788 1,793 2,794 2,797 1,818 1,819 3,824 1,827 23,828 1,832 1,833 3,835 1,837 1,849 1,850 5.4,852 1,854 1,858 11.5,859 6.56,860 4.944,861 2.116,863 3.077,864 1.423,865 0.994,866 3.6,867 10.352,868 3.555,869 4.23,870 4.912,871 5.581,872 6.169,873 6.598,874 7.058,875 7.518,876 7.792,877 8.05,878 1,879 38,880 8.467,881 3.734,882 7.853,883 15.941,884 13.457,885 2.353,886 54.111,890 129.482,891 64.826,892 84.908,893 39.149,894 53.683,897 64.826,898 222.314,899 84.908,901 11.719,902 61.326,903 117.404,904 22.411,905 2.328,906 117.711,907 39.149,908 129.482,909 149.734,910 53.683,911 39.149,913 105.94,914 66.226,915 11,917 26.587,918 72.913,919 89.383,921 129.482,922 138.591,923 103.974,926 129.482,927 27.778,928 38.824,930 175.963,931 129.482,932 138.591,933 103.974,935 0.592,936 0.36,937 0.199,938 0.109,939 21,940 9,941 0.05,942 2,943 1,944 1.1,945 3.435,946 200.199,947 0.1,948 20,949 104.042,954 14.693,955 5.636,956 2.431,957 1.332,958 136.814,959 6.391,960 13.078,964 1.954,965 1.835,966 75.581,967 372.048,968 34,980 37.905,981 41.93,983 0.349,984 0.801,985 0.913,986 0.958,987 0.958,988 0.958,989 4.812,990 1.342,991 5.753,992 3.533,993 4.344,994 4.916,995 0.908,996 6.629,997 4.217,998 6.045,999 1.035,1000 7.352,1001 3.509,1002 4.007,1003 4.856,1005 7.656,1006 3.819,1007 7.381,1008 0.683,1009 9.054,1010 2.565,1011 5.994,1012 7.227,1013 0.739,1014 10.82,1015 5.776,1016 8.759,1017 0.618,1018 10.818,1019 1.743,1020 6.509,1021 8.038,1023 12.708,1024 6.239,1025 10.173,1026 0.103,1027 12.62,1028 1.372,1029 7.965,1030 9.89,1031 0.593,1032 15.401,1033 7.67,1034 11.613,1035 -0.292,1036 14.45,1037 0.227,1038 8.854,1039 11.1,1041 17.641,1042 8.515,1043 13.074,1044 -0.595,1045 16.3,1046 -0.683,1047 10.123,1048 12.756,1049 0.469,1050 20.188,1051 9.756,1052 3.347,1053 -0.795,1054 18.166,1055 -1.604,1056 11.177,1057 14.151,1059 22.576,1060 10.773,1061 2.843,1062 12.146,1063 20.044,1064 -2.197,1065 12.383,1066 15.733,1067 0.366,1068 25.08,1069 11.949,1070 2.651,1071 9.314,1072 21.932,1073 4.733,1074 13.512,1075 17.212,1077 27.529,1078 13.043,1079 2.324,1080 8.322,1081 23.828,1082 3.88,1083 14.702,1084 18.768,1085 0.283,1086 30.022,1087 14.2,1088 1.994,1089 7.318,1090 25.732,1091 3.243,1092 15.865,1093 20.285,1095 32.497,1096 15.33,1097 1.513,1098 5.689,1099 27.642,1100 3.086,1101 17.054,1102 21.834,1103 0.217,1104 34.989,1105 16.486,1106 1.414,1107 4.136,1108 29.558,1109 2.365,1110 18.235,1111 23.369,1113 37.476,1114 17.633,1115 4917,1116 9029,1117 17.512,1118 25.602,1119 39.656,1120 40.962,1121 41.079,1122 39.743,1123 39.736,1124 52.237,1125 1.72,1126 119.749,1127 36.929,1128 5.665,1129 5.4,1130 6.646,1131 5.395,1132 5.347,1133 7.733,1134 1.72,1135 19.683,1136 5.222,1137 10.157,1138 1.525,1139 1.575,1140 1.58,1141 1.529,1142 1.528,1143 2.009,1144 0.066,1145 4.606,1146 1.42,1147 4.14,1148 4.185,1149 4.136,1150 4,1151 6.471,1152 4.022,1153 3.849,1154 3.87,1155 3.95,1156 3.754,1157 5.255,1158 3.761,1159 3.725,1160 3.77,1161 3.624,1162 3.551,1163 4.896,1164 3.559,1165 3.267,1166 3.349,1167 3.357,1168 3.02,1169 4.813,1170 3.052,1171 3.031,1172 3.118,1173 3.126,1174 2.799,1175 4.615,1176 2.82,1177 2.931,1178 2.976,1179 2.877,1180 2.746,1181 4.489,1182 2.748,1183 2.861,1184 2.958,1185 2.804,1186 2.626,1187 4.194,1188 2.636,1189 2.782,1190 2.845,1191 2.573,1192 2.596,1193 3.686,1194 2.575,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.763,1201 0.182,1202 3.4,1203 0.033,1204 7.05,1205 0.467,1206 4.31,1207 0.124,1208 3.347,1209 4.733,1210 0.86,1211 12.146,1212 3.222,1213 1.924,1214 1.907,1215 1.978,1216 2.03,1217 1.241,1218 2.011,1219 1.785,1220 1.742,1221 1.886,1222 1.96,1223 1.114,1224 1.944,1225 1.585,1226 1.528,1227 1.75,1228 1.773,1229 0.865,1230 1.772,1231 1.317,1232 1.264,1233 1.585,1234 1.618,1235 0.782,1236 1.609,1237 1.114,1238 1.069,1239 1.231,1240 1.362,1241 0.262,1242 1.336,1243 0.883,1244 0.839,1245 1.15,1246 1.221,1247 0.142,1248 1.202,1249 0.866,1250 0.773,1251 1.107,1252 1.132,1253 0.087,1254 1.13,1255 0.75,1256 0.665,1257 0.974,1258 1.041,1260 1.032,1261 3.97,1263 5.323,1264 3.045,1265 6.872,1266 5.352,1267 8.515,1268 7.455,1269 10.209,1272 5.885,1275 6.05,1276 9.872,1277 2.154,1279 5.448,1281 0.112,1289 24.998,1290 67.234,1291 154.343,1292 175.995,1293 184.75,1294 184.75,1295 184.75,1296 35.589,1297 7.274,1298 99.08,1299 99.08,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.543,1305 66,1306 69,1307 0.24,1308 154.887,1309 255.23,1310 369.684,1311 12138,1312 2.7,1313 15.974,1314 0.695,1315 0.559,1316 16.474,1317 12.864,1318 11.148,1319 0.429,1320 0.292,1321 7.099,1322 10.336,1323 6.975,1324 5.687,1325 11.437,1326 7.58,1327 10.285,1328 0.271,1329 0.154,1330 10.656,1331 5.841,1332 9.187,1333 0.17,1334 0.08,1335 9.615,1336 4.309,1337 7.78,1338 0.104,1339 0.039,1340 7.931,1341 2.945,1342 6.179,1343 0.064,1344 0.02,1345 6.374,1346 1.872,1347 0.357,1348 73.783,1349 0.239,1350 21.849,1351 0.724,1352 128,1353 401.981,1354 157.938,1355 415.57,1356 562.73,1357 388,1358 156,1359 399.822,1360 184.36,1361 411.151,1362 609.98,1363 387,1364 6.285}
{0 CHEMBL1241769,1 1.723,2 8.458,3 2.189,4 4.793,5 93.831,6 8.411,7 0.593,8 3.857,9 3.985,10 3.521,11 3.373,12 5.001,13 3.373,14 4.381,15 4.553,16 3.925,17 3.798,18 5.475,19 3.773,20 4.643,21 4.862,22 3.993,23 3.889,24 5.736,25 3.832,26 4.624,27 4.864,28 3.877,29 3.81,30 5.695,31 3.753,32 4.525,33 4.752,34 3.822,35 3.76,36 5.602,37 3.725,38 4.509,39 4.709,40 3.858,41 3.792,42 5.639,43 3.747,44 4.554,45 4.781,46 3.799,47 3.763,48 5.695,49 3.668,50 4.477,51 4.719,52 3.603,53 3.589,54 5.563,55 3.466,56 0.119,57 0.673,58 7.388,59 3.221,60 12.686,61 4.114,62 0.234,63 1.068,64 14.429,65 5.639,66 20.304,67 7.536,68 0.444,69 1.213,70 24.274,71 7.468,72 44.02,73 10.301,74 0.483,75 1.185,76 25.62,77 7.221,78 43.29,79 10.176,80 0.406,81 1.137,82 19.138,83 5.637,84 34.33,85 8.113,86 0.371,87 1.122,88 17.838,89 5.606,90 34.904,91 7.818,92 0.467,93 1.047,94 21.351,95 7.044,96 50.281,97 9.914,98 0.465,99 0.867,100 22.451,101 6.351,102 55.54,103 8.836,104 10,105 39,106 0.302,107 0.717,108 0.842,109 0.897,110 0.897,111 0.897,112 3.23,113 0.911,114 -4.38,115 -4.31,116 -4.07,118 39,120 2,124 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 5,172 1,173 1,175 4,178 4,180 1,181 1,182 4,184 1,186 3,188 5,191 2,192 7,194 3,195 4,197 2,199 2,201 1,204 7,206 2,208 4,211 1,213 2,215 4,218 1,220 2,223 3,225 1,228 2,231 3,232 2,233 3,234 2,235 3,237 1,240 3,245 3,247 3,249 2,256 1,257 1,260 1,264 778,265 16.292,266 16.292,267 16.292,268 16.292,269 16.292,270 14.332,271 16.289,272 9.476,273 16.745,274 13.327,275 13.327,276 13.327,277 13.327,278 13.327,279 10.389,280 17.243,281 4.508,282 14.151,283 3.634,284 1.269,285 0.555,286 0.244,287 0.244,288 0.244,289 3.925,290 1,292 1,293 1,294 1,295 445,296 2.345,299 103.399,300 124.32,303 88.708,307 1.33,308 25.74,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52.333,320 203,321 4.747,322 3.358,323 7.003,324 4.283,325 3.318,326 4.724,327 0.4,328 11.965,329 3.202,330 4.212,331 3.17,332 6.088,333 3.757,334 2.819,335 3.878,337 8.785,338 2.64,339 3.768,340 2.752,341 5.824,342 3.544,343 2.588,344 3.156,346 7.876,347 2.469,348 3.678,349 2.466,350 5.612,351 3.262,352 2.33,353 3.083,355 7.267,356 2.123,357 3.433,358 2.341,359 5.277,360 3.155,361 2.217,362 2.491,364 6.533,365 2.077,366 2.999,367 1.881,368 4.471,369 2.448,370 1.517,371 2.236,373 4.169,374 1.408,375 2.82,376 1.559,377 4.434,378 2.367,379 1.414,380 1.948,382 3.947,383 1.344,384 2.739,385 1.513,386 4.038,387 2.345,388 1.414,389 1.823,391 3.512,392 1.278,393 2.468,394 1.162,395 3.68,396 2.063,397 1.097,398 1.456,400 2.639,401 1.057,402 2.146,403 1.072,404 3.398,405 1.918,406 0.989,407 1.127,409 2.365,410 0.906,411 1.618,412 0.803,413 3,414 1.567,415 0.618,416 0.618,417 1.372,418 0.585,419 1.373,420 0.597,421 2.737,422 0.928,423 0.107,424 0.129,425 0.235,426 0.075,427 1.12,428 0.013,429 2.721,430 0.792,431 -0.145,432 -0.169,433 -0.385,434 -0.135,435 0.883,436 -0.24,437 2.404,438 0.533,439 -0.392,440 -0.481,441 -0.973,442 -0.362,443 0.774,444 -0.318,445 2.374,446 0.349,447 -0.595,448 -0.773,449 -1.604,450 -0.539,451 11.448,452 0.477,453 0.627,454 0.026,455 31.5,456 1.313,457 15,458 0.625,459 16.5,460 0.688,461 19.078,462 0.795,463 25.752,464 0.628,465 22.049,466 0.919,467 5.95,468 0.248,469 5.681,470 0.237,471 0.126,473 0.384,478 0.917,479 1.275,480 0.625,481 0.889,482 0.955,483 0.826,484 0.764,485 1.166,486 0.671,487 0.932,488 0.556,489 0.895,490 0.87,491 1.124,492 0.835,493 0.995,494 0.71,495 0.954,496 0.884,497 0.956,498 0.916,499 0.924,500 0.778,501 0.891,502 1.011,503 1.067,504 0.705,505 0.78,506 0.772,507 0.838,508 1.03,509 1.199,510 0.873,511 1.029,512 1.069,513 1.074,514 0.672,515 1.012,516 0.842,517 1.072,518 0.751,519 1.116,520 1.114,521 1.005,522 1.036,523 1.119,524 1.342,525 1.176,526 4.5,527 0.058,528 2.889,529 2.014,530 1.557,531 0.737,532 0.665,533 0.417,534 0.181,535 0.107,536 5985,537 17496,538 2.135,539 41.5,541 8,543 1,544 4,546 4,549 1.676,550 2,551 3.082,552 1.86,553 1,554 1,556 1,558 70.663,559 1.723,560 4.088,561 4.803,562 5.114,563 5.114,564 5.114,565 2.542,566 4.252,567 4.554,568 3.215,569 887.354,570 7.898,571 10085.8,572 1,573 1,575 1,576 219.66,577 1.406,578 4.518,579 0.167,580 0.01,581 0.074,582 0.053,583 0.043,584 0.021,585 0.02,586 0.014,587 0.009,588 0.011,589 0.421,590 0.17,591 1,592 0.566,593 111.499,594 -0.11,595 -0.04,596 0.005,597 0.06,598 -0.134,599 0.061,600 0.004,601 -0.01,602 0.043,603 0.015,604 0.084,605 0.024,606 0.039,607 -0.111,608 0.062,609 -0.035,610 0.129,611 0.009,612 0.046,613 0.042,614 0.012,615 0.012,616 0.055,617 0.064,618 -0.12,619 0.013,620 -0.003,621 0.093,622 -0.006,623 0.065,624 -0.137,625 -0.081,626 -0.135,627 -0.133,628 -0.174,629 -0.183,630 0.216,631 -0.023,632 0.019,633 -0.111,634 0.18,635 -0.142,636 -0.047,637 -0.094,638 -0.035,639 -0.142,640 -0.12,641 -0.189,642 1.662,643 3.9,644 0.833,645 18.75,646 1.014,647 1.137,648 3.148,649 9.911,650 0.681,651 3.332,652 3.689,653 4.007,654 4.317,655 4.543,656 4.691,657 4.875,658 5.03,659 5.075,660 5.05,661 5.231,662 0.654,663 344.84,664 3.332,665 4.89,666 5.765,667 6.666,668 7.563,669 8.472,670 9.379,671 10.294,672 11.208,673 12.126,674 14.6,676 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 41,718 16,719 1,720 27,722 44,723 16,724 11,725 3,726 3,728 4,729 5,730 1,735 3,738 3,740 11,741 5,756 1,757 1,760 17,761 6,762 4,763 8,764 1,769 6,775 0.75,776 1,785 1,788 1,790 1,793 2,794 2,797 1,815 1,819 3,824 1,827 24,828 1,832 1,833 4,834 1,837 1,849 1,850 2.4,852 1,858 12,859 7.143,860 5.167,861 2.441,863 3.066,864 1.418,865 0.999,866 4.041,867 10.4,868 3.584,869 4.245,870 4.904,871 5.563,872 6.139,873 6.546,874 7.014,875 7.476,876 7.755,877 8.012,878 0.833,879 38,880 8.846,881 3.874,882 7.775,883 16.856,884 14.28,885 2.275,886 54.611,890 153.024,891 62.387,892 102.919,893 39.149,894 42.683,897 62.387,898 234.856,899 102.919,901 9.28,902 79.337,903 106.404,904 22.411,905 2.328,906 141.253,907 39.149,908 153.024,909 165.306,910 42.683,911 39.149,913 105.94,914 89.768,917 42.158,918 72.913,919 89.383,921 153.024,922 145.602,923 101.536,926 153.024,927 25.34,928 38.824,929 18.011,930 164.963,931 153.024,932 145.602,933 101.536,935 0.59,936 0.353,937 0.192,938 0.103,939 21,940 9,941 0.068,942 3,943 1,944 1.1,945 3.565,946 208.189,947 0.1,948 20,949 110.039,954 15.633,955 6.203,956 2.848,957 1.387,958 143.825,959 6.458,960 13.146,964 2.038,965 1.858,966 93.591,967 400.162,968 35,980 41.563,981 46.634,983 0.322,984 0.763,985 0.896,986 0.954,987 0.954,988 0.954,989 4.836,990 1.414,991 5.765,992 3.947,993 4.369,994 4.931,995 0.278,996 6.619,997 4.256,998 6.061,999 1.097,1000 7.349,1001 3.512,1002 4.007,1003 4.856,1005 7.594,1006 3.819,1007 7.39,1008 0.989,1009 9.035,1010 2.639,1011 5.999,1012 7.226,1013 0.05,1014 10.746,1015 5.797,1016 8.76,1017 0.618,1018 10.781,1019 2.365,1020 6.479,1021 8.025,1023 12.595,1024 6.214,1025 10.166,1026 0.107,1027 12.567,1028 1.372,1029 7.938,1030 9.878,1031 0.008,1032 15.277,1033 7.659,1034 11.598,1035 -0.145,1036 14.381,1037 0.235,1038 8.798,1039 11.082,1041 17.497,1042 8.47,1043 13.052,1044 -0.392,1045 16.216,1046 -0.385,1047 10.064,1048 12.739,1049 0.001,1050 20.033,1051 9.715,1052 3.318,1053 -0.595,1054 18.068,1055 -0.973,1056 11.099,1057 14.13,1059 22.409,1060 10.711,1061 2.819,1062 11.965,1063 19.934,1064 -1.604,1065 12.298,1066 15.712,1068 24.902,1069 11.885,1070 2.588,1071 8.785,1072 21.812,1073 4.724,1074 13.413,1075 17.189,1077 27.341,1078 12.966,1079 2.33,1080 7.876,1081 23.7,1082 3.878,1083 14.595,1084 18.744,1086 29.823,1087 14.12,1088 2.217,1089 7.267,1090 25.596,1091 3.156,1092 15.747,1093 20.259,1095 32.287,1096 15.24,1097 1.517,1098 6.533,1099 27.499,1100 3.083,1101 16.928,1102 21.807,1104 34.767,1105 16.391,1106 1.414,1107 4.169,1108 29.409,1109 2.491,1110 18.099,1111 23.34,1113 37.241,1114 17.531,1115 5698,1116 9899,1117 18.205,1118 27.915,1119 40.89,1120 41.772,1121 42.097,1122 40.886,1123 40.854,1124 53.337,1125 0.8,1126 121.332,1127 38.33,1128 5.679,1129 5.358,1130 6.617,1131 5.357,1132 5.318,1133 7.724,1134 0.8,1135 19.353,1136 5.202,1137 10.519,1138 1.514,1139 1.547,1140 1.559,1141 1.514,1142 1.513,1143 1.975,1144 0.03,1145 4.494,1146 1.42,1147 4.134,1148 4.182,1149 4.13,1150 3.996,1151 6.471,1152 4.018,1153 3.855,1154 3.901,1155 3.947,1156 3.753,1157 5.255,1158 3.759,1159 3.802,1160 3.845,1161 3.693,1162 3.655,1163 4.892,1164 3.655,1165 3.361,1166 3.454,1167 3.363,1168 3.098,1169 4.809,1170 3.127,1171 3.096,1172 3.148,1173 3.231,1174 2.962,1175 4.52,1176 2.96,1177 2.958,1178 3.079,1179 2.892,1180 2.746,1181 4.379,1182 2.748,1183 2.929,1184 2.97,1185 2.806,1186 2.655,1187 4.196,1188 2.677,1189 2.787,1190 2.905,1191 2.762,1192 2.623,1193 3.69,1194 2.619,1195 0.176,1196 0.124,1197 0.259,1198 0.159,1199 0.123,1200 4.747,1201 0.175,1202 3.358,1203 0.015,1204 7.003,1205 0.443,1206 4.283,1207 0.119,1208 3.318,1209 4.724,1210 0.4,1211 11.965,1212 3.202,1213 1.924,1214 1.907,1215 1.978,1216 2.031,1217 1.276,1218 2.012,1219 1.785,1220 1.74,1221 1.912,1222 1.965,1223 1.119,1224 1.952,1225 1.627,1226 1.57,1227 1.813,1228 1.806,1229 1.061,1230 1.811,1231 1.502,1232 1.421,1233 1.729,1234 1.732,1235 0.844,1236 1.752,1237 1.205,1238 1.14,1239 1.361,1240 1.497,1241 0.527,1242 1.462,1243 0.954,1244 0.885,1245 1.163,1246 1.224,1247 0.214,1248 1.21,1249 0.883,1250 0.838,1251 1.149,1252 1.171,1253 0.126,1254 1.163,1255 0.813,1256 0.704,1257 1.102,1258 1.118,1260 1.128,1261 4.007,1263 5.352,1264 3.045,1265 6.887,1266 5.352,1267 8.513,1268 7.434,1269 10.191,1272 5.903,1275 6.075,1276 9.9,1277 4.017,1278 3.457,1281 0.371,1289 26.832,1290 70.663,1291 167.621,1292 196.905,1293 209.66,1294 209.66,1295 209.66,1296 37.136,1297 7.334,1298 101.88,1299 101.88,1300 22,1301 12.637,1302 4.087,1303 3.17,1304 33.579,1305 74,1306 74,1307 0.226,1308 167.277,1309 274.74,1310 399.917,1311 13463,1312 2.4,1313 16.681,1314 0.695,1315 0.569,1316 17.181,1317 13.662,1318 11.631,1319 0.431,1320 0.304,1321 7.738,1322 10.885,1323 7.596,1324 6.238,1325 11.92,1326 8.203,1327 10.723,1328 0.275,1329 0.163,1330 11.094,1331 6.355,1332 9.378,1333 0.174,1334 0.086,1335 9.807,1336 4.653,1337 7.883,1338 0.107,1339 0.044,1340 8.035,1341 3.259,1342 6.217,1343 0.067,1344 0.022,1345 6.412,1346 2.033,1347 0.34,1348 76.173,1349 0.234,1350 22.893,1351 0.668,1352 132,1353 376.579,1354 160.447,1355 399.209,1356 544.13,1357 372,1358 159,1359 392.242,1360 185.675,1361 405.209,1362 598.39,1363 382,1364 5.094}
{0 CHEMBL1241770,1 1.723,2 8.458,3 1.799,4 3.237,5 94.17,6 8.411,7 0.593,8 3.857,9 3.985,10 3.521,11 3.373,12 5.002,13 3.373,14 4.381,15 4.553,16 3.922,17 3.803,18 5.472,19 3.777,20 4.639,21 4.851,22 3.993,23 3.9,24 5.726,25 3.839,26 4.653,27 4.903,28 3.875,29 3.818,30 5.705,31 3.759,32 4.514,33 4.735,34 3.819,35 3.771,36 5.598,37 3.734,38 4.52,39 4.72,40 3.86,41 3.803,42 5.649,43 3.755,44 4.549,45 4.771,46 3.794,47 3.771,48 5.669,49 3.674,50 4.5,51 4.746,52 3.615,53 3.595,54 5.605,55 3.467,56 0.119,57 0.673,58 7.388,59 3.221,60 12.602,61 4.114,62 0.241,63 1.067,64 14.482,65 5.644,66 20.766,67 7.525,68 0.394,69 1.215,70 23.744,71 7.642,72 42.384,73 10.508,74 0.525,75 1.201,76 27.017,77 7.338,78 45.177,79 10.435,80 0.395,81 1.134,82 18.514,83 5.637,84 33.981,85 8.026,86 0.389,87 1.131,88 18.051,89 5.771,90 35.471,91 8.012,92 0.411,93 1.043,94 21.04,95 7.147,96 47.332,97 10.07,98 0.5,99 0.886,100 23.068,101 6.587,102 59.516,103 9.169,104 10,105 39,106 0.302,107 0.714,108 0.836,109 0.897,110 0.897,111 0.897,112 3.23,113 0.908,114 -4.38,115 -4.31,116 -4.07,118 39,120 1,121 1,124 3,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 6,172 1,173 1,175 4,178 4,180 1,181 1,182 5,186 3,188 5,191 2,192 7,194 3,195 4,197 2,199 3,201 1,204 6,206 2,208 3,211 2,213 2,215 4,218 2,220 3,223 4,225 2,228 2,231 2,232 1,233 2,234 1,235 3,237 1,240 2,243 1,244 1,245 4,246 1,247 1,249 1,257 2,260 1,264 778,265 16.292,266 16.292,267 16.292,268 16.292,269 16.292,270 14.332,271 16.752,272 9.476,273 16.743,274 13.327,275 13.327,276 13.327,277 13.327,278 13.327,279 10.389,280 16.208,281 4.508,282 14.138,283 3.634,284 1.288,285 0.592,286 0.244,287 0.244,288 0.244,289 3.925,290 1,292 1,293 1,294 1,295 445,296 2.345,299 103.399,300 124.32,303 88.708,307 1.33,308 25.6,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52.333,320 203,321 4.747,322 3.357,323 7.003,324 4.283,325 3.318,326 4.724,327 0.4,328 11.965,329 3.203,330 4.212,331 3.169,332 6.088,333 3.758,334 2.819,335 3.878,337 8.785,338 2.645,339 3.768,340 2.694,341 5.824,342 3.558,343 2.588,344 3.156,346 7.876,347 2.507,348 3.678,349 2.463,350 5.612,351 3.263,352 2.33,353 3.083,355 7.267,356 2.124,357 3.433,358 2.329,359 5.277,360 3.158,361 2.217,362 2.491,364 6.533,365 2.082,366 2.999,367 1.881,368 4.471,369 2.447,370 1.517,371 2.236,373 4.169,374 1.408,375 2.82,376 1.603,377 4.434,378 2.357,379 1.414,380 1.948,382 3.947,383 1.327,384 2.739,385 1.527,386 4.038,387 2.343,388 1.414,389 1.823,391 3.512,392 1.277,393 2.468,394 1.236,395 3.68,396 2.043,397 1.097,398 1.456,400 2.639,401 1.034,402 2.146,403 1.075,404 3.398,405 1.914,406 0.989,407 1.127,409 2.365,410 0.903,411 1.618,412 0.76,413 3,414 1.581,415 0.618,416 0.618,417 1.372,418 0.594,419 1.373,420 0.597,421 2.737,422 0.928,423 0.107,424 0.129,425 0.235,426 0.075,427 1.12,428 0.013,429 2.721,430 0.791,431 -0.145,432 -0.169,433 -0.385,434 -0.135,435 0.883,436 -0.238,437 2.404,438 0.533,439 -0.392,440 -0.481,441 -0.973,442 -0.362,443 0.774,444 -0.316,445 2.374,446 0.349,447 -0.595,448 -0.773,449 -1.604,450 -0.539,451 11.448,452 0.477,453 0.627,454 0.026,455 31.5,456 1.313,457 15,458 0.625,459 16.5,460 0.688,461 19.048,462 0.794,463 25.752,464 0.628,465 22.078,466 0.92,467 5.977,468 0.249,469 5.654,470 0.236,471 0.126,473 0.384,478 0.917,479 1.275,480 0.625,481 0.889,482 0.952,483 0.826,484 0.777,485 1.106,486 0.676,487 0.897,488 0.563,489 0.875,490 0.829,491 1.244,492 0.834,493 1.088,494 0.689,495 1.019,496 0.914,497 0.856,498 0.902,499 0.834,500 0.782,501 0.825,502 1.009,503 1.061,504 0.726,505 0.804,506 0.795,507 0.87,508 0.99,509 1.131,510 0.875,511 1.023,512 1.049,513 1.082,514 0.666,515 1.145,516 0.833,517 1.138,518 0.763,519 1.151,520 1.033,521 0.943,522 1.019,523 1.121,524 1.313,525 1.184,526 4.5,527 0.058,528 2.889,529 2.014,530 1.557,531 0.737,532 0.665,533 0.417,534 0.181,535 0.107,536 5985,537 17652,538 2.135,539 41.5,541 9,543 1,544 4,546 2,547 1,549 1.676,550 2,551 3.082,552 1.86,553 1,554 1,556 1,558 70.663,559 1.723,560 4.07,561 4.766,562 5.114,563 5.114,564 5.114,565 2.542,566 4.252,567 4.554,568 3.215,569 887.354,570 7.898,571 10085.8,572 1,573 1,575 1,576 219.66,577 1.406,578 4.518,579 0.167,580 0.01,581 0.074,582 0.053,583 0.043,584 0.021,585 0.02,586 0.014,587 0.009,588 0.011,589 0.421,590 0.17,591 1,592 0.566,593 111.499,594 -0.11,595 -0.04,596 0.005,597 0.06,598 -0.131,599 0.061,600 -0.009,601 0.052,602 0.038,603 0.05,604 0.077,605 0.044,606 0.044,607 -0.235,608 0.054,609 -0.112,610 0.14,611 -0.045,612 0.027,613 0.129,614 0.034,615 0.095,616 0.043,617 0.132,618 -0.13,619 0.031,620 -0.035,621 0.073,622 -0.025,623 0.03,624 -0.102,625 -0.014,626 -0.139,627 -0.126,628 -0.16,629 -0.188,630 0.185,631 -0.165,632 0.022,633 -0.16,634 0.156,635 -0.163,636 0.034,637 -0.035,638 -0.02,639 -0.149,640 -0.078,641 -0.197,642 1.66,643 3.902,644 0.833,645 18.75,646 1.014,647 1.137,648 3.148,649 9.911,650 0.681,651 3.332,652 3.689,653 4.007,654 4.317,655 4.543,656 4.691,657 4.875,658 5.03,659 5.075,660 5.05,661 5.231,662 0.654,663 344.84,664 3.332,665 4.89,666 5.765,667 6.666,668 7.563,669 8.472,670 9.379,671 10.294,672 11.208,673 12.126,674 14.6,676 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 41,718 16,719 1,720 27,722 44,723 16,724 11,725 3,726 3,728 4,729 5,730 1,735 1,736 1,738 1,740 11,741 5,742 1,756 1,757 1,760 17,761 6,762 4,763 8,764 1,769 6,775 0.75,776 1,785 1,788 1,790 1,793 2,794 2,797 1,815 1,819 3,824 1,827 24,828 1,832 1,833 4,834 1,837 1,849 1,850 2.4,852 1,858 12,859 7.143,860 5.167,861 2.399,863 3.066,864 1.418,865 1,866 4.041,867 10.4,868 3.584,869 4.245,870 4.904,871 5.563,872 6.139,873 6.546,874 7.014,875 7.476,876 7.755,877 8.012,878 0.833,879 38,880 8.844,881 3.871,882 7.775,883 16.856,884 14.289,885 2.275,886 54.611,890 153.024,891 61.958,892 102.919,893 39.149,894 42.683,897 61.958,898 234.856,899 102.919,901 8.852,902 79.337,903 106.404,904 22.411,905 2.328,906 141.253,907 39.149,908 153.024,909 164.877,910 42.683,911 39.149,913 117.711,914 77.997,917 41.73,918 72.913,919 89.383,921 153.024,922 145.602,923 101.107,926 153.024,927 24.911,928 38.824,929 18.011,930 164.963,931 153.024,932 145.602,933 101.107,935 0.59,936 0.353,937 0.192,938 0.103,939 21,940 9,941 0.068,942 3,943 1,944 1.1,945 3.565,946 208.189,947 0.1,948 20,949 110.039,954 15.633,955 6.203,956 2.848,957 1.406,958 143.825,959 6.472,960 13.168,964 2.059,965 1.881,966 93.591,967 399.733,968 35,980 41.563,981 46.634,983 0.322,984 0.76,985 0.89,986 0.954,987 0.954,988 0.954,989 4.836,990 1.414,991 5.765,992 3.947,993 4.369,994 4.931,995 0.278,996 6.619,997 4.259,998 6.061,999 1.097,1000 7.349,1001 3.512,1002 4.007,1003 4.856,1005 7.594,1006 3.833,1007 7.39,1008 0.989,1009 9.035,1010 2.639,1011 5.999,1012 7.226,1013 0.05,1014 10.746,1015 5.806,1016 8.76,1017 0.618,1018 10.781,1019 2.365,1020 6.479,1021 8.025,1023 12.595,1024 6.231,1025 10.166,1026 0.107,1027 12.567,1028 1.372,1029 7.938,1030 9.878,1031 0.008,1032 15.277,1033 7.672,1034 11.598,1035 -0.145,1036 14.381,1037 0.235,1038 8.798,1039 11.082,1041 17.497,1042 8.487,1043 13.052,1044 -0.392,1045 16.216,1046 -0.385,1047 10.064,1048 12.739,1049 0.001,1050 20.033,1051 9.729,1052 3.318,1053 -0.595,1054 18.068,1055 -0.973,1056 11.099,1057 14.13,1059 22.409,1060 10.726,1061 2.819,1062 11.965,1063 19.934,1064 -1.604,1065 12.298,1066 15.712,1068 24.902,1069 11.898,1070 2.588,1071 8.785,1072 21.812,1073 4.724,1074 13.413,1075 17.189,1077 27.341,1078 12.979,1079 2.33,1080 7.876,1081 23.7,1082 3.878,1083 14.595,1084 18.744,1086 29.823,1087 14.131,1088 2.217,1089 7.267,1090 25.596,1091 3.156,1092 15.747,1093 20.259,1095 32.287,1096 15.251,1097 1.517,1098 6.533,1099 27.499,1100 3.083,1101 16.928,1102 21.807,1104 34.767,1105 16.4,1106 1.414,1107 4.169,1108 29.409,1109 2.491,1110 18.099,1111 23.34,1113 37.241,1114 17.54,1115 5698,1116 9935,1117 18.205,1118 27.915,1119 40.89,1120 41.807,1121 42.097,1122 40.878,1123 40.854,1124 53.337,1125 0.8,1126 121.332,1127 38.356,1128 5.679,1129 5.357,1130 6.617,1131 5.357,1132 5.318,1133 7.724,1134 0.8,1135 19.353,1136 5.203,1137 10.519,1138 1.514,1139 1.548,1140 1.559,1141 1.514,1142 1.513,1143 1.975,1144 0.03,1145 4.494,1146 1.421,1147 4.135,1148 4.182,1149 4.131,1150 3.998,1151 6.471,1152 4.019,1153 3.857,1154 3.902,1155 3.947,1156 3.757,1157 5.255,1158 3.761,1159 3.802,1160 3.845,1161 3.695,1162 3.658,1163 4.891,1164 3.659,1165 3.352,1166 3.447,1167 3.362,1168 3.07,1169 4.809,1170 3.108,1171 3.085,1172 3.142,1173 3.225,1174 2.938,1175 4.519,1176 2.938,1177 2.949,1178 3.069,1179 2.89,1180 2.746,1181 4.381,1182 2.748,1183 2.927,1184 2.97,1185 2.805,1186 2.661,1187 4.201,1188 2.667,1189 2.832,1190 2.946,1191 2.741,1192 2.624,1193 3.694,1194 2.621,1195 0.176,1196 0.124,1197 0.259,1198 0.159,1199 0.123,1200 4.747,1201 0.175,1202 3.357,1203 0.015,1204 7.003,1205 0.443,1206 4.283,1207 0.119,1208 3.318,1209 4.724,1210 0.4,1211 11.965,1212 3.203,1213 1.924,1214 1.907,1215 1.979,1216 2.032,1217 1.323,1218 2.013,1219 1.793,1220 1.747,1221 1.935,1222 1.967,1223 1.116,1224 1.958,1225 1.649,1226 1.598,1227 1.782,1228 1.814,1229 0.962,1230 1.819,1231 1.43,1232 1.339,1233 1.705,1234 1.705,1235 0.859,1236 1.715,1237 1.235,1238 1.169,1239 1.394,1240 1.514,1241 0.568,1242 1.485,1243 0.965,1244 0.901,1245 1.166,1246 1.224,1247 0.213,1248 1.211,1249 0.883,1250 0.838,1251 1.149,1252 1.174,1253 0.126,1254 1.167,1255 0.815,1256 0.706,1257 1.102,1258 1.119,1259 0.056,1260 1.128,1261 4.007,1263 5.352,1264 3.045,1265 6.887,1266 5.352,1267 8.513,1268 7.434,1269 10.191,1272 5.904,1275 6.078,1276 9.902,1277 3.871,1278 3.358,1281 0.51,1289 26.832,1290 70.663,1291 166.866,1292 195.395,1293 209.66,1294 209.66,1295 209.66,1296 37.224,1297 7.334,1298 101.88,1299 101.88,1300 22,1301 12.637,1302 4.087,1303 3.17,1304 33.579,1305 74,1306 74,1307 0.226,1308 167.277,1309 274.74,1310 399.917,1311 13463,1312 2.4,1313 16.681,1314 0.695,1315 0.569,1316 17.181,1317 13.662,1318 11.631,1319 0.431,1320 0.303,1321 7.709,1322 10.882,1323 7.56,1324 6.212,1325 11.92,1326 8.176,1327 10.723,1328 0.275,1329 0.165,1330 11.094,1331 6.42,1332 9.378,1333 0.174,1334 0.087,1335 9.807,1336 4.691,1337 7.883,1338 0.107,1339 0.044,1340 8.035,1341 3.252,1342 6.217,1343 0.067,1344 0.022,1345 6.412,1346 2.041,1347 0.34,1348 76.219,1349 0.234,1350 22.893,1351 0.668,1352 132,1353 376.579,1354 160.114,1355 399.332,1356 543.29,1357 372,1358 159,1359 389.961,1360 185.481,1361 403.67,1362 595.83,1363 380,1364 6.453}
{0 CHEMBL1241771,1 1.637,2 8,3 2.511,4 6.303,5 82.517,6 8.467,7 0.667,8 3.683,9 3.812,10 3.352,11 3.219,12 4.977,13 3.232,14 4.165,15 4.341,16 3.736,17 3.587,18 5.387,19 3.595,20 4.38,21 4.573,22 3.847,23 3.701,24 5.677,25 3.711,26 4.469,27 4.69,28 3.831,29 3.701,30 5.862,31 3.691,32 4.374,33 4.588,34 3.621,35 3.637,36 5.584,37 3.598,38 4.297,39 4.491,40 3.579,41 3.578,42 5.546,43 3.532,44 4.403,45 4.672,46 3.35,47 3.46,48 5.705,49 3.354,50 4.177,51 4.498,52 2.956,53 3.075,54 5.342,55 2.949,56 0.094,57 0.655,58 5.417,59 2.664,60 11.119,61 3.174,62 0.212,63 1.007,64 10.846,65 4.488,66 24.845,67 5.695,68 0.3,69 1.228,70 14.318,71 5.123,72 31.888,73 6.393,74 0.472,75 1.261,76 17.065,77 5.553,78 70.946,79 7.264,80 0.389,81 1.111,82 14.858,83 4.875,84 48.626,85 6.268,86 0.268,87 1.07,88 12.659,89 5.011,90 27.178,91 6.428,92 0.52,93 1.039,94 18.524,95 5.728,96 72.905,97 8.14,98 0.361,99 0.769,100 18.494,101 5.801,102 54.553,103 8.212,104 30,105 35,106 0.295,107 0.726,108 0.799,109 0.823,110 0.823,111 0.823,112 3.148,113 0.839,114 -4.69,115 -4.61,116 -4.33,118 42.9,119 2,126 1,138 3,139 3,140 1,142 1,143 1,144 1,153 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 8,172 1,173 1,175 1,178 6,180 1,181 1,182 6,188 4,191 2,192 9,194 3,195 3,197 1,199 3,201 1,204 7,208 2,211 3,213 2,215 5,220 3,223 4,225 3,227 1,228 3,233 1,235 2,237 1,239 1,247 2,251 2,254 1,255 1,264 614,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.671,271 13.306,272 8.336,273 14.968,274 11.738,275 11.738,276 11.738,277 11.738,278 11.738,279 8.616,280 9.877,281 3.803,282 12.283,283 3.492,284 1.097,285 0.693,286 0.557,287 0.557,288 0.557,289 3.822,292 1,293 1,294 1,295 371,296 2.828,299 43.076,300 115.366,303 82.187,307 1.182,308 28.753,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 48.5,320 176,321 4.76,322 4.076,323 7.039,324 4.302,325 3.338,326 4.732,327 2.035,328 12.087,329 3.218,330 4.283,331 3.378,332 6.197,333 3.826,334 2.858,335 3.941,337 9.078,338 2.761,339 3.842,340 3.06,341 6.004,342 3.497,343 2.542,344 3.229,346 8.342,347 2.425,348 3.744,349 2.676,350 5.697,351 3.306,352 2.344,353 3.14,355 7.397,356 2.252,357 3.277,358 2.419,359 4.82,360 2.684,361 1.743,362 2.298,364 4.818,365 1.637,366 3.025,367 1.842,368 4.502,369 2.488,370 1.542,371 2.133,373 4.244,374 1.451,375 2.956,376 1.82,377 4.148,378 2.404,379 1.461,380 2.043,382 3.648,383 1.362,384 2.735,385 1.528,386 3.86,387 2.023,388 1.077,389 1.581,391 2.764,392 1.016,393 2.501,394 1.076,395 3.493,396 1.803,397 0.836,398 1.138,400 2.067,401 0.806,402 2.122,403 0.858,404 2.952,405 1.504,406 0.56,407 0.939,409 0.985,410 0.526,411 1.262,412 0.545,413 2.597,414 0.664,415 -0.257,416 -0.353,417 -0.474,418 -0.232,419 1.057,420 -0.124,421 2.423,422 0.592,423 -0.311,424 -0.439,425 -0.695,426 -0.277,427 0.779,428 -0.239,429 2.265,430 0.331,431 -0.611,432 -0.824,433 -1.676,434 -0.57,435 0.61,436 -0.738,437 2.233,438 0.093,439 -0.846,440 -1,441 -2,442 -0.788,443 0.208,444 -0.891,445 2,447 -1,448 -1.15,449 -2.339,450 -1,451 10.186,452 0.463,453 0.648,454 0.029,455 32,456 1.455,457 17.5,458 0.795,459 14.5,460 0.659,461 15.421,462 0.701,463 22.814,464 0.652,465 22.656,466 1.03,467 6.151,468 0.28,469 4.373,470 0.199,471 0.205,473 0.432,477 1,478 0.668,479 1.085,480 0.668,481 0.979,482 0.606,483 0.853,484 0.652,485 0.988,486 0.598,487 0.874,488 0.503,489 0.755,490 1.064,491 1.196,492 0.842,493 0.966,494 0.788,495 0.866,496 0.91,497 0.907,498 0.912,499 0.892,500 0.769,501 0.895,502 1.042,503 0.918,504 1.201,505 0.997,506 0.839,507 1.09,508 0.851,509 1.204,510 1.145,511 1.368,512 0.763,513 1.34,514 0.777,515 0.775,516 1.147,517 1.075,518 0.799,519 1.177,520 1.071,521 1.009,522 0.771,523 0.898,524 1.166,525 0.817,526 4.5,527 0.012,528 3.111,529 2.167,530 1.847,531 0.889,532 0.566,533 0.386,534 0.204,535 0.066,536 4197,537 14050,538 2.017,539 37.1,541 4,543 1,544 2,546 6,549 1.652,550 1.833,551 2.976,552 0.393,554 1,556 1,558 57.306,559 1.637,560 4.032,561 4.436,562 4.572,563 4.572,564 4.572,565 2.461,566 4.278,567 4.429,568 3.1,569 716.165,570 7.646,571 7561.51,572 1,573 1,575 1,576 179.525,577 1.544,578 4.36,579 0.188,580 0.004,581 0.089,582 0.057,583 0.051,584 0.031,585 0.021,586 0.02,587 0.016,588 0.009,589 0.486,590 0.5,591 1,592 1.003,593 98.516,594 -0.032,595 -0.064,596 0.027,597 -0.007,598 -0.059,599 0.019,600 0.073,601 -0.024,602 0.224,603 0.1,604 0.063,605 0.176,606 -0.128,607 -0.177,608 0.042,609 -0.016,610 -0.006,611 0.045,612 0.051,613 0.063,614 0.034,615 0.033,616 0.114,617 0.028,618 -0.179,619 0.031,620 -0.298,621 -0.069,622 -0.093,623 -0.172,624 -0.038,625 -0.245,626 -0.274,627 -0.4,628 -0.057,629 -0.4,630 0.171,631 0.093,632 -0.076,633 -0.099,634 0.089,635 -0.14,636 0.115,637 -0.131,638 0.509,639 0.205,640 0.094,641 0.395,642 2.261,643 5.883,644 0.682,645 15.355,646 1.019,647 1.143,648 3.463,649 11.99,650 0.686,651 3.219,652 3.584,653 3.912,654 4.22,655 4.466,656 4.605,657 4.682,658 4.771,659 4.754,660 4.673,661 4.839,662 0.675,663 296.34,664 3.219,665 4.779,666 5.659,667 6.569,668 7.475,669 8.393,670 9.308,671 10.23,672 11.148,673 12.072,674 17.1,678 1,682 1,683 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,699 1,708 1,715 1,716 35,718 17,719 1,720 24,722 37,723 15,724 11,725 3,726 3,728 3,729 4,732 2,738 1,739 1,740 11,741 3,756 1,757 1,758 1,760 13,761 6,762 2,763 7,769 6,775 0.667,785 1,788 1,793 1,794 2,797 1,819 2,823 2,825 1,827 22,828 1,837 1,842 1,846 1,848 1,849 1,858 12,859 7.143,860 4.861,861 2.095,863 3.331,864 1.479,865 0.99,866 3.422,867 10.293,868 3.555,869 4.216,870 4.926,871 5.6,872 6.166,873 6.597,874 7.044,875 7.484,876 7.791,877 8.095,878 1,879 38,880 8.086,881 3.501,882 8.068,883 14.864,884 12.051,885 2.568,886 56.5,890 129.482,891 96.165,892 115.967,895 14.96,897 96.165,898 129.482,899 130.927,900 17.65,902 61.326,903 80.322,904 62.276,905 17.288,906 117.711,908 129.482,909 212.132,910 14.96,913 73.816,914 70.627,917 63.577,918 98.321,919 50.234,921 144.442,922 115.967,923 96.165,926 129.482,927 24.865,928 56.474,929 16.602,930 129.151,931 129.482,932 130.927,933 96.165,935 0.59,936 0.363,937 0.201,938 0.111,939 18,940 9,941 0.054,942 2,943 1,944 1.133,945 3.238,946 180.985,947 0.133,948 15,949 96.107,954 14.282,955 5.271,956 2.287,957 1.183,958 129.151,959 5.712,960 12.719,964 0.715,965 1.721,966 32.897,967 356.574,968 34,980 35.658,981 39.99,983 0.319,984 0.786,985 0.865,986 0.891,987 0.891,988 0.891,989 4.812,990 1.077,991 5.68,992 3.648,993 4.263,994 4.902,995 2.228,996 6.567,997 4.176,998 6.073,999 0.836,1000 7.292,1001 2.764,1002 4.007,1003 4.856,1005 7.633,1006 3.883,1007 7.415,1008 0.56,1009 9.006,1010 2.067,1011 5.927,1012 7.24,1013 3.563,1014 10.773,1015 5.768,1016 8.797,1017 -0.257,1018 10.777,1019 0.985,1020 6.479,1021 8.05,1023 12.67,1024 6.283,1025 10.211,1026 -0.311,1027 12.584,1028 -0.474,1029 7.912,1030 9.912,1031 4.962,1032 15.354,1033 7.685,1034 11.651,1035 -0.611,1036 14.417,1037 -0.695,1038 8.817,1039 11.12,1041 17.595,1042 8.552,1043 13.111,1044 -0.846,1045 16.269,1046 -1.676,1047 10.077,1048 12.778,1049 6.378,1050 20.136,1051 9.78,1052 3.338,1053 -1,1054 18.135,1055 -2,1056 11.139,1057 14.171,1059 22.522,1060 10.804,1061 2.858,1062 12.087,1063 20.014,1064 -2.339,1065 12.341,1066 15.752,1067 7.797,1068 25.02,1069 11.973,1070 2.542,1071 9.078,1072 21.901,1073 4.732,1074 13.473,1075 17.229,1077 27.467,1078 13.068,1079 2.344,1080 8.342,1081 23.798,1082 3.941,1083 14.661,1084 18.784,1085 9.217,1086 29.956,1087 14.221,1088 1.743,1089 7.397,1090 25.701,1091 3.229,1092 15.825,1093 20.299,1095 32.428,1096 15.348,1097 1.542,1098 4.818,1099 27.61,1100 3.14,1101 17.012,1102 21.847,1103 10.638,1104 34.916,1105 16.499,1106 1.461,1107 4.244,1108 29.524,1109 2.298,1110 18.192,1111 23.38,1113 37.398,1114 17.643,1115 4232,1116 7864,1117 15.433,1118 24.017,1119 38.158,1120 40.085,1121 39.09,1122 36.673,1123 36.603,1124 50.349,1125 4.069,1126 110.861,1127 34.908,1128 5.43,1129 6.076,1130 6.58,1131 5.374,1132 5.338,1133 7.732,1134 4.069,1135 19.553,1136 5.218,1137 12.755,1138 1.59,1139 1.67,1140 1.629,1141 1.528,1142 1.525,1143 2.098,1144 0.17,1145 4.619,1146 1.454,1147 4.134,1148 4.181,1149 4.118,1150 3.999,1151 8.201,1152 4.021,1153 3.866,1154 3.897,1155 3.836,1156 3.761,1157 6.819,1158 3.777,1159 3.577,1160 3.654,1161 3.445,1162 3.407,1163 5.255,1164 3.4,1165 3.27,1166 3.334,1167 3.229,1168 3.099,1169 4.872,1170 3.127,1171 3.075,1172 3.167,1173 2.991,1174 2.814,1175 4.598,1176 2.852,1177 2.97,1178 3.069,1179 2.866,1180 2.733,1181 4.43,1182 2.734,1183 2.897,1184 3.009,1185 2.807,1186 2.672,1187 4.06,1188 2.709,1189 2.874,1190 2.956,1191 2.499,1192 2.618,1193 3.697,1194 2.57,1195 0.198,1196 0.17,1197 0.293,1198 0.179,1199 0.139,1200 4.76,1201 0.197,1202 4.076,1203 0.085,1204 7.039,1205 0.504,1206 4.302,1207 0.134,1208 3.338,1209 4.732,1210 2.035,1211 12.087,1212 3.218,1213 1.939,1214 1.919,1215 1.999,1216 2.039,1217 1.153,1218 2.022,1219 1.801,1220 1.754,1221 1.945,1222 1.988,1223 1.11,1224 1.974,1225 1.617,1226 1.553,1227 1.773,1228 1.814,1229 0.831,1230 1.813,1231 1.218,1232 1.17,1233 1.417,1234 1.431,1235 0.469,1236 1.4,1237 0.96,1238 0.876,1239 1.292,1240 1.281,1241 0.279,1242 1.308,1243 0.934,1244 0.804,1245 1.18,1246 1.239,1247 0.134,1248 1.26,1249 0.86,1250 0.804,1251 1.102,1252 1.127,1253 0.036,1254 1.097,1255 0.788,1256 0.72,1257 0.992,1258 1.068,1260 1.077,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.447,1268 7.081,1269 10.147,1271 3.932,1273 13.883,1275 5.951,1281 0.064,1287 8.823,1288 1.796,1289 23.619,1290 57.306,1291 141.119,1292 155.26,1293 160.015,1294 160.015,1295 160.015,1296 42.158,1297 6.961,1298 93.41,1299 93.41,1300 17,1301 12.579,1302 4.17,1303 3.459,1304 34.208,1305 62,1306 74,1307 0.278,1308 148.093,1309 246.59,1310 353.106,1311 8101,1312 2.9,1313 15.853,1314 0.721,1315 0.549,1316 14.983,1317 12.078,1318 10.524,1319 0.439,1320 0.28,1321 6.602,1322 10.044,1323 6.403,1324 5.35,1325 10.113,1326 6.713,1327 9.676,1328 0.276,1329 0.147,1330 9.146,1331 5.151,1332 8.311,1333 0.17,1334 0.069,1335 7.868,1336 3.37,1337 7.137,1338 0.107,1339 0.034,1340 6.666,1341 2.311,1342 5.65,1343 0.066,1344 0.018,1345 5.483,1346 1.565,1347 0.415,1348 66.507,1349 0.255,1350 21.024,1351 0.832,1352 118,1353 415.649,1354 131.961,1355 386.43,1356 524.11,1357 358,1358 143,1359 393.035,1360 157.788,1361 393.417,1362 576.3,1363 369,1364 4.854}
{0 CHEMBL1241772,1 1.527,2 8,3 1.583,4 2.506,5 79.772,6 8.216,7 0.696,8 3.655,9 3.79,10 3.307,11 3.175,12 4.917,13 3.187,14 4.129,15 4.316,16 3.671,17 3.533,18 5.292,19 3.536,20 4.314,21 4.517,22 3.75,23 3.645,24 5.517,25 3.639,26 4.404,27 4.634,28 3.722,29 3.657,30 5.612,31 3.628,32 4.322,33 4.542,34 3.536,35 3.594,36 5.429,37 3.542,38 4.243,39 4.449,40 3.452,41 3.523,42 5.432,43 3.454,44 4.332,45 4.618,46 3.087,47 3.38,48 5.401,49 3.242,50 4.056,51 4.407,52 2.652,53 2.962,54 4.986,55 2.785,56 0.07,57 0.594,58 5.671,59 2.391,60 10.626,61 3.092,62 0.178,63 0.893,64 11.002,65 3.942,66 20.558,67 5.425,68 0.227,69 1.035,70 13.774,71 4.412,72 24.157,73 6.18,74 0.352,75 1.072,76 16.255,77 5.014,78 38.348,79 7.119,80 0.262,81 0.978,82 14.35,83 4.45,84 30.566,85 6.19,86 0.207,87 0.907,88 12.593,89 4.632,90 26.404,91 6.371,92 0.308,93 0.826,94 17.608,95 5.073,96 44.872,97 7.615,98 0.25,99 0.538,100 16.324,101 4.574,102 34.905,103 7.355,104 21,105 33,106 0.276,107 0.717,108 0.807,109 0.817,110 0.817,111 0.817,112 3.105,113 0.844,114 -3.28,115 -3.27,116 -3.14,118 41.2,119 2,126 1,138 2,139 2,141 1,142 2,143 1,144 1,153 1,156 1,158 1,159 1,160 1,161 1,167 2,170 2,171 9,172 1,173 1,175 1,178 3,180 1,181 2,182 6,188 1,191 3,192 8,194 3,195 3,197 1,199 3,201 1,203 1,204 4,208 1,211 2,213 1,214 2,215 4,217 1,218 1,220 3,223 2,225 3,227 1,228 3,235 2,239 1,251 2,254 1,255 1,264 548,265 14.146,266 14.146,267 14.146,268 14.146,269 14.146,270 12.224,271 12.811,272 8.147,273 14.476,274 11.26,275 11.26,276 11.26,277 11.26,278 11.26,279 8.221,280 9.844,281 3.737,282 11.8,283 3.561,284 1.13,285 0.633,286 0.574,287 0.574,288 0.574,289 3.781,292 1,293 1,294 1,295 356,296 2.739,299 40.733,300 108.482,303 77.684,307 1.238,308 19.648,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 45.5,320 168,321 4.757,322 4.057,323 7.038,324 4.298,325 3.335,326 4.73,327 2.035,328 12.08,329 3.212,330 4.115,331 3.372,332 6.147,333 3.659,334 2.692,335 3.719,337 8.817,338 2.6,339 3.827,340 2.734,341 5.765,342 3.452,343 2.498,344 3.211,346 7.634,347 2.379,348 3.738,349 2.574,350 5.286,351 3.24,352 2.279,353 3.09,355 6.686,356 2.187,357 3.162,358 2.285,359 4.819,360 2.684,361 1.743,362 2.295,364 4.818,365 1.637,366 3.02,367 1.821,368 4.458,369 2.472,370 1.531,371 2.131,373 4.138,374 1.436,375 2.866,376 1.532,377 3.861,378 2.022,379 1.079,380 1.585,382 2.765,383 1.015,384 2.501,385 1.078,386 3.49,387 1.959,388 1,389 1.5,391 2.275,392 0.956,393 2.5,394 1,395 3.414,396 1.794,397 0.831,398 1.1,400 2.061,401 0.798,402 2.122,403 0.855,404 2.823,405 1.406,406 0.473,407 0.883,409 0.735,410 0.44,411 1.086,412 0.12,413 2.468,414 0.636,415 -0.281,416 -0.36,417 -0.64,418 -0.257,419 1.024,420 -0.172,421 2.385,422 0.46,423 -0.482,424 -0.729,425 -0.996,426 -0.453,427 0.625,428 -0.735,429 2.249,430 0.099,431 -0.833,432 -1,433 -2,434 -0.772,435 0.5,436 -0.89,437 2,439 -1,440 -1.144,441 -2.29,442 -0.973,443 0.185,444 -1,445 1.938,446 -0.025,447 -1,448 -1.5,449 -3,450 -1,451 9.8,452 0.467,453 0.559,454 0.027,455 31.75,456 1.512,457 17.5,458 0.833,459 14.25,460 0.679,461 13.845,462 0.659,463 21.4,464 0.629,465 21.062,466 1.003,467 6.013,468 0.286,469 4.101,470 0.195,471 0.184,473 0.398,478 0.865,479 1.318,480 0.706,481 1.03,482 0.724,483 0.873,484 0.797,485 1.102,486 0.642,487 0.865,488 0.463,489 0.75,490 1.088,491 1.176,492 0.85,493 0.937,494 0.598,495 0.865,496 0.965,497 0.881,498 0.934,499 0.881,500 0.827,501 0.898,502 1.328,503 1.05,504 1.237,505 1.06,506 0.99,507 1.118,508 0.923,509 1.206,510 1.231,511 1.387,512 0.715,513 1.371,514 1.16,515 0.896,516 1.279,517 1.087,518 1.028,519 1.184,520 0.644,521 0.585,522 0.698,523 0.652,524 0.724,525 0.68,526 4,527 0.012,528 2.667,529 1.854,530 1.656,531 0.889,532 0.388,533 0.301,534 0.183,535 0.066,536 3794,537 11729,538 2.045,539 38.2,541 3,543 2,544 2,546 6,549 1.638,550 1.881,551 2.954,552 0.425,554 1,556 1,558 51.914,559 1.527,560 3.958,561 4.455,562 4.514,563 4.514,564 4.514,565 2.47,566 3.975,567 4.359,568 3.09,569 648.845,570 7.503,571 6625.02,572 1,573 1,575 1,576 172.974,577 1.51,578 4.305,579 0.174,580 0.004,581 0.081,582 0.053,583 0.05,584 0.033,585 0.016,586 0.02,587 0.018,588 0.009,589 0.459,590 0.67,591 1,592 0.988,593 92.597,594 -0.028,595 -0.153,596 0.042,597 -0.05,598 -0.066,599 -0.002,600 0.126,601 -0.03,602 0.224,603 0.108,604 0.106,605 0.171,606 -0.087,607 -0.124,608 0.049,609 0.008,610 0.076,611 0.045,612 0.092,613 0.13,614 0.022,615 0.056,616 0.019,617 0.031,618 -0.323,619 -0.026,620 -0.317,621 -0.117,622 -0.193,623 -0.198,624 -0.03,625 -0.191,626 -0.338,627 -0.41,628 -0.018,629 -0.428,630 -0.182,631 -0.041,632 -0.202,633 -0.104,634 -0.153,635 -0.147,636 0.236,637 0.093,638 0.549,639 0.416,640 0.227,641 0.519,642 1.31,643 2.82,644 0.714,645 14.576,646 1.011,647 1.139,648 2.054,649 4.218,650 0.686,651 3.178,652 3.526,653 3.85,654 4.159,655 4.419,656 4.543,657 4.595,658 4.663,659 4.644,660 4.543,661 4.77,662 0.669,663 279.34,664 3.178,665 4.727,666 5.602,667 6.506,668 7.408,669 8.322,670 9.235,671 10.154,672 11.071,673 11.993,674 20.6,678 1,682 1,683 1,684 4,689 2,690 4,691 4,695 4,696 1,697 16,699 1,708 1,716 34,718 17,720 23,722 36,723 14,724 10,728 3,729 4,732 2,738 1,739 1,740 10,741 3,756 1,757 1,760 13,761 6,762 2,763 7,769 7,775 0.667,785 1,787 1,788 1,793 1,794 2,797 1,819 2,823 2,827 21,828 1,837 1,842 1,846 1,848 1,858 11.167,859 6.95,860 4.667,861 2.03,863 3.335,864 1.486,865 0.985,866 3.191,867 10.196,868 3.526,869 4.171,870 4.882,871 5.549,872 6.13,873 6.548,874 6.987,875 7.407,876 7.716,877 8.003,878 1,879 35,880 7.656,881 3.225,882 7.873,883 14.313,884 11.485,885 2.373,886 49.833,890 129.482,891 86.186,892 132.753,897 86.186,898 129.482,899 132.753,900 17.65,902 51.85,903 108.879,904 61.774,905 2.328,906 105.94,908 129.482,909 218.939,913 58.856,914 70.627,917 75.381,918 76.538,919 67.02,921 129.482,922 132.753,923 86.186,926 129.482,927 15.315,928 56.045,929 16.602,930 130.976,931 129.482,932 132.753,933 86.186,935 0.585,936 0.355,937 0.197,938 0.114,939 17,940 8,941 0.056,942 2,943 1,944 1.133,945 3.205,946 168.187,947 0.133,948 15,949 90.239,954 13.327,955 5.028,956 2.172,957 1.398,958 130.976,959 6.483,960 16.979,964 2.19,965 1.806,966 32.897,967 348.421,968 33,980 34.363,981 38.734,983 0.3,984 0.778,985 0.876,986 0.887,987 0.887,988 0.887,989 4.771,990 1,991 5.609,992 2.765,993 4.205,994 4.856,995 2.228,996 6.482,997 4.116,998 6.021,999 0.831,1000 7.209,1001 2.275,1002 3.892,1003 4.745,1005 7.532,1006 3.779,1007 7.354,1008 0.473,1009 8.911,1010 2.061,1011 5.849,1012 7.18,1013 3.563,1014 10.676,1015 5.683,1016 8.727,1017 -0.281,1018 10.674,1019 0.735,1020 6.365,1021 7.954,1023 12.583,1024 6.174,1025 10.135,1026 -0.482,1027 12.477,1028 -0.64,1029 7.818,1030 9.842,1031 4.962,1032 15.273,1033 7.581,1034 11.569,1035 -0.833,1036 14.308,1037 -0.996,1038 8.705,1039 11.034,1041 17.531,1042 8.439,1043 13.025,1044 -1,1045 16.16,1046 -2,1047 9.977,1048 12.707,1049 6.378,1050 20.079,1051 9.669,1052 3.335,1053 -1,1054 18.029,1055 -2.29,1056 11.034,1057 14.096,1059 22.478,1060 10.694,1061 2.692,1062 12.08,1063 19.911,1064 -3,1065 12.244,1066 15.687,1067 7.797,1068 24.983,1069 11.865,1070 2.498,1071 8.817,1072 21.804,1073 4.73,1074 13.378,1075 17.166,1077 27.438,1078 12.964,1079 2.279,1080 7.634,1081 23.706,1082 3.719,1083 14.572,1084 18.728,1085 9.217,1086 29.931,1087 14.121,1088 1.743,1089 6.686,1090 25.615,1091 3.211,1092 15.741,1093 20.247,1095 32.407,1096 15.253,1097 1.531,1098 4.818,1099 27.531,1100 3.09,1101 16.934,1102 21.8,1103 10.638,1104 34.898,1105 16.409,1106 1.079,1107 4.138,1108 29.452,1109 2.295,1110 18.119,1111 23.338,1113 37.383,1114 17.557,1115 3808,1116 6812,1117 15.027,1118 23.324,1119 36.52,1120 37.79,1121 36.905,1122 34.924,1123 34.921,1124 48.487,1125 4.069,1126 104.02,1127 33.322,1128 5.422,1129 6.057,1130 6.589,1131 5.37,1132 5.335,1133 7.73,1134 4.069,1135 19.53,1136 5.169,1137 11.124,1138 1.588,1139 1.643,1140 1.605,1141 1.518,1142 1.518,1143 2.108,1144 0.177,1145 4.523,1146 1.449,1147 4.129,1148 4.178,1149 4.113,1150 3.98,1151 6.821,1152 4.007,1153 3.826,1154 3.869,1155 3.787,1156 3.699,1157 5.257,1158 3.716,1159 3.576,1160 3.654,1161 3.445,1162 3.407,1163 4.902,1164 3.399,1165 3.267,1166 3.331,1167 3.226,1168 3.094,1169 4.768,1170 3.122,1171 3.074,1172 3.167,1173 2.982,1174 2.813,1175 4.486,1176 2.849,1177 2.967,1178 3.067,1179 2.856,1180 2.673,1181 4.077,1182 2.709,1183 2.874,1184 3.009,1185 2.628,1186 2.618,1187 3.811,1188 2.589,1189 2.774,1190 2.857,1191 2.499,1192 2.589,1193 3.697,1194 2.57,1195 0.207,1196 0.176,1197 0.306,1198 0.187,1199 0.145,1200 4.757,1201 0.206,1202 4.057,1203 0.088,1204 7.038,1205 0.525,1206 4.298,1207 0.14,1208 3.335,1209 4.73,1210 2.035,1211 12.08,1212 3.212,1213 1.904,1214 1.876,1215 1.968,1216 2.036,1217 1.149,1218 2.013,1219 1.786,1220 1.734,1221 1.939,1222 1.977,1223 1.048,1224 1.963,1225 1.608,1226 1.544,1227 1.763,1228 1.809,1229 0.792,1230 1.807,1231 1.212,1232 1.163,1233 1.417,1234 1.428,1235 0.469,1236 1.397,1237 0.96,1238 0.876,1239 1.29,1240 1.281,1241 0.275,1242 1.308,1243 0.934,1244 0.804,1245 1.18,1246 1.239,1247 0.048,1248 1.259,1249 0.801,1250 0.728,1251 1.032,1252 1.126,1253 0.011,1254 1.097,1255 0.761,1256 0.676,1257 0.991,1258 1.013,1260 1.027,1261 3.85,1263 5.187,1264 2.398,1265 6.732,1266 4.844,1267 8.372,1268 7.081,1269 10.062,1271 4.039,1275 5.987,1281 0.141,1287 8.82,1288 1.992,1289 22.73,1290 51.914,1291 134.567,1292 151.464,1293 153.464,1294 153.464,1295 153.464,1296 29.408,1297 6.862,1298 106.3,1299 106.3,1300 17,1301 12.501,1302 4.17,1303 3.459,1304 31.963,1305 58,1306 74,1307 0.278,1308 144.097,1309 234.22,1310 343.355,1311 7210,1313 14.983,1314 0.713,1315 0.555,1316 14.983,1317 11.647,1318 10.113,1319 0.44,1320 0.281,1321 6.365,1322 9.678,1323 6.16,1324 5.17,1325 10.113,1326 6.467,1327 9.146,1328 0.277,1329 0.148,1330 9.146,1331 4.888,1332 7.868,1333 0.171,1334 0.069,1335 7.868,1336 3.159,1337 6.666,1338 0.106,1339 0.034,1340 6.666,1341 2.158,1342 5.483,1343 0.067,1344 0.018,1345 5.483,1346 1.47,1347 0.415,1348 63.631,1349 0.258,1350 20.264,1351 0.83,1352 112,1353 341.183,1354 123.851,1355 341.557,1356 474.48,1357 318,1358 135,1359 365.166,1360 148.156,1361 371.178,1362 541.51,1363 348,1364 4}
{0 CHEMBL1241773,1 1.565,2 8.091,3 2.166,4 4.692,5 86.966,6 7.574,7 0.667,8 3.767,9 3.901,10 3.349,11 3.297,12 4.938,13 3.285,14 4.268,15 4.457,16 3.731,17 3.666,18 5.389,19 3.646,20 4.463,21 4.656,22 3.81,23 3.785,24 5.629,25 3.759,26 4.557,27 4.776,28 3.791,29 3.812,30 5.723,31 3.759,32 4.523,33 4.756,34 3.581,35 3.755,36 5.545,37 3.669,38 4.397,39 4.619,40 3.483,41 3.659,42 5.458,43 3.564,44 4.439,45 4.709,46 3.2,47 3.541,48 5.474,49 3.396,50 4.276,51 4.594,52 2.923,53 3.256,54 5.129,55 3.076,56 0.053,57 0.623,58 7.654,59 3.186,60 8.759,61 4.309,62 0.154,63 0.961,64 14.254,65 5.264,66 19.378,67 7.416,68 0.219,69 1.125,70 17.853,71 5.792,72 31.031,73 8.213,74 0.326,75 1.202,76 20.325,77 6.592,78 41.414,79 9.451,80 0.257,81 1.118,82 20.014,83 6.297,84 34.661,85 9.263,86 0.14,87 1.007,88 16.962,89 5.891,90 24.4,91 8.674,92 0.29,93 0.94,94 19.508,95 5.97,96 45.183,97 9.072,98 0.212,99 0.693,100 18.19,101 6.027,102 27.372,103 9.216,104 30,105 35,106 0.277,107 0.66,108 0.754,109 0.772,110 0.79,111 0.79,112 3.148,113 0.886,114 -4.55,115 -4.47,116 -4.21,118 41,119 3,126 1,138 4,139 3,142 1,143 1,144 1,152 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 9,172 1,173 1,175 1,178 9,180 1,181 1,182 7,188 7,191 2,192 10,194 3,195 3,197 1,199 6,201 1,204 8,208 2,211 4,213 2,215 7,220 4,223 4,225 4,227 1,228 4,233 1,235 5,237 1,239 1,240 1,247 2,251 2,252 2,254 1,255 1,257 1,262 1,264 626,265 14.483,266 14.483,267 14.483,268 14.483,269 14.483,270 12.508,271 11.915,272 8.284,273 14.699,274 11.801,275 11.801,276 11.801,277 11.801,278 11.801,279 8.745,280 9.342,281 3.857,282 12.15,283 3.72,284 1.56,285 1.032,286 0.93,287 0.827,288 0.827,289 3.822,292 1,293 1,294 1,295 375,296 3.082,299 44.015,300 116.616,303 83.744,307 1.281,308 21.032,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 47.5,320 178,321 4.758,322 3.545,323 7.038,324 4.298,325 3.335,326 4.73,327 1.277,328 12.08,329 3.215,330 4.17,331 3.371,332 6.153,333 3.796,334 2.788,335 3.774,337 8.845,338 2.814,339 3.854,340 2.717,341 5.924,342 3.534,343 2.563,344 3.247,346 8.146,347 2.486,348 3.756,349 2.529,350 5.727,351 3.369,352 2.4,353 3.168,355 7.486,356 2.317,357 3.119,358 2.006,359 4.82,360 2.69,361 1.746,362 2.383,364 4.819,365 1.646,366 3.018,367 1.814,368 4.512,369 2.59,370 1.62,371 2.137,373 4.307,374 1.564,375 2.757,376 1.473,377 3.889,378 2.241,379 1.248,380 1.803,382 2.955,383 1.229,384 2.5,385 1.054,386 3.734,387 2,388 1,389 1.5,391 2.622,392 1,393 2.471,394 1,395 3.468,396 1.971,397 1,398 1.431,400 2.275,401 0.967,402 2.118,403 0.844,404 3.414,405 1.75,406 0.785,407 1.013,409 1.989,410 0.755,411 1.071,412 0.33,413 2.593,414 0.661,415 -0.273,416 -0.345,417 -0.64,418 -0.252,419 0.986,420 -0.139,421 2.415,422 0.531,423 -0.442,424 -0.591,425 -1.081,426 -0.433,427 0.622,428 -0.393,429 2.252,430 0.113,431 -0.831,432 -1,433 -2,434 -0.775,435 0.5,436 -0.782,437 2,438 0.091,439 -1,440 -1.128,441 -2,442 -1,443 0.429,444 -1,445 2,447 -1,448 -1.31,449 -2.31,450 -1,451 10.333,452 0.47,453 0.686,454 0.031,455 30.25,456 1.375,457 16,458 0.727,459 14.25,460 0.648,461 16.415,462 0.746,463 23.267,464 0.597,465 21.359,466 0.971,467 5.855,468 0.266,469 4.631,470 0.211,471 0.216,473 0.426,478 0.726,479 1.26,480 0.77,481 1.049,482 0.742,483 0.933,484 0.669,485 1.054,486 0.649,487 0.887,488 0.542,489 0.781,490 1.243,491 1.182,492 0.939,493 0.95,494 1.081,495 0.905,496 0.992,497 0.989,498 0.993,499 0.982,500 0.924,501 0.985,502 1.161,503 1.045,504 1.175,505 1.017,506 0.892,507 1.074,508 0.828,509 1.293,510 1.138,511 1.265,512 0.626,513 1.242,514 0.959,515 0.938,516 1.249,517 1.09,518 0.941,519 1.179,520 0.506,521 0.796,522 0.718,523 0.904,524 0.68,525 0.858,526 4.5,527 0.025,528 3.111,529 2.104,530 1.696,531 0.952,532 0.429,533 0.301,534 0.289,535 0.124,536 4329,537 12065,538 2.017,539 43.6,541 5,543 1,544 2,545 3,546 6,549 1.65,550 1.833,551 2.99,552 0.348,553 1,554 1,556 1,558 61.034,559 1.565,560 3.726,561 4.253,562 4.356,563 4.458,564 4.458,565 2.461,566 3.914,567 4.427,568 3.16,569 730.057,570 7.632,571 7761.98,572 1,573 1,575 1,576 206.131,577 1.544,578 4.36,579 0.188,580 0.004,581 0.089,582 0.057,583 0.048,584 0.034,585 0.017,586 0.018,587 0.022,588 0.011,589 0.488,590 0.5,591 1,592 1.003,593 99.103,594 0.01,595 -0.057,596 0.044,597 -0.014,598 -0.118,599 0.013,600 0.153,601 0.047,602 0.247,603 0.116,604 0.11,605 0.181,606 -0.156,607 -0.095,608 -0.011,609 0.013,610 -0.072,611 0.02,612 0.026,613 0.073,614 -0.045,615 -0.036,616 -0.013,617 -0.054,618 -0.246,619 -0.016,620 -0.226,621 -0.061,622 -0.136,623 -0.124,624 -0.116,625 -0.259,626 -0.225,627 -0.279,628 -0.027,629 -0.269,630 -0.105,631 0.015,632 -0.261,633 -0.143,634 -0.131,635 -0.205,636 0.261,637 -0.032,638 0.34,639 0.11,640 0.128,641 0.22,642 1.632,643 4.393,644 0.682,645 16.314,646 1.004,647 1.133,648 3.319,649 11.013,650 0.668,651 3.219,652 3.584,653 3.892,654 4.19,655 4.443,656 4.585,657 4.654,658 4.718,659 4.754,660 4.7,661 5.016,662 0.641,663 295.38,664 3.219,665 4.779,666 5.652,667 6.558,668 7.459,669 8.373,670 9.283,671 10.202,672 11.117,673 12.038,674 12.8,678 1,682 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,702 1,708 1,716 39,718 17,719 1,720 24,722 41,723 16,724 11,725 2,726 4,727 1,728 3,729 4,732 3,738 1,740 12,741 4,744 1,749 1,753 1,756 1,757 1,760 17,761 5,762 2,763 6,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 3,827 22,828 1,837 1,850 2.6,853 1,858 12,859 8.05,860 4.778,861 2.35,863 3.237,864 1.465,865 0.983,866 3.572,867 10.196,868 3.526,869 4.201,870 4.882,871 5.549,872 6.13,873 6.548,874 6.987,875 7.407,876 7.716,877 8.003,878 1,879 37,880 8.083,881 3.419,882 7.818,883 15.262,884 12.37,885 2.318,886 51,890 176.567,891 93.877,892 84.908,894 25.145,897 93.877,898 201.711,899 84.908,900 26.476,902 70.802,903 93.999,904 22.096,905 2.328,906 164.795,908 176.567,909 178.785,910 25.145,913 105.94,914 95.772,917 41.343,918 87.208,919 50.234,921 176.567,922 110.053,923 93.877,926 176.567,927 20.878,928 74.776,930 108.276,931 176.567,932 110.053,933 93.877,935 0.595,936 0.353,937 0.19,938 0.108,939 18,940 9,941 0.073,942 3,943 1,944 1.133,945 3.267,946 179.223,947 0.133,948 15,949 92.107,954 14.519,955 5.412,956 2.468,957 1.458,958 108.276,959 8.766,960 13.025,964 2.691,965 1.835,966 32.897,967 380.496,968 33,973 11.393,977 0.034,980 39.138,981 44.192,983 0.296,984 0.705,985 0.805,986 0.824,987 0.843,988 0.843,989 4.771,990 1,991 5.673,992 2.955,993 4.263,994 4.887,995 1.45,996 6.55,997 4.209,998 6.021,999 1,1000 7.28,1001 2.622,1002 4.007,1003 4.844,1005 7.609,1006 3.943,1007 7.359,1008 0.785,1009 8.989,1010 2.275,1011 5.916,1012 7.204,1013 1.845,1014 10.742,1015 5.811,1016 8.738,1017 -0.273,1018 10.757,1019 1.989,1020 6.463,1021 8.009,1023 12.642,1024 6.343,1025 10.151,1026 -0.442,1027 12.562,1028 -0.64,1029 7.894,1030 9.866,1031 2.271,1032 15.322,1033 7.737,1034 11.59,1035 -0.831,1036 14.393,1037 -1.081,1038 8.792,1039 11.068,1041 17.568,1042 8.609,1043 13.049,1044 -1,1045 16.244,1046 -2,1047 10.051,1048 12.729,1049 2.72,1050 20.108,1051 9.833,1052 3.335,1053 -1,1054 18.11,1055 -2,1056 11.108,1057 14.119,1059 22.499,1060 10.855,1061 2.788,1062 12.08,1063 19.987,1064 -2.31,1065 12.309,1066 15.704,1067 3.184,1068 24.999,1069 12.021,1070 2.563,1071 8.845,1072 21.875,1073 4.73,1074 13.438,1075 17.182,1077 27.449,1078 13.111,1079 2.4,1080 8.146,1081 23.771,1082 3.774,1083 14.625,1084 18.741,1085 3.658,1086 29.939,1087 14.26,1088 1.746,1089 7.486,1090 25.675,1091 3.247,1092 15.788,1093 20.258,1095 32.413,1096 15.383,1097 1.62,1098 4.819,1099 27.584,1100 3.168,1101 16.975,1102 21.81,1103 4.138,1104 34.902,1105 16.53,1106 1.248,1107 4.307,1108 29.5,1109 2.383,1110 18.156,1111 23.345,1113 37.385,1114 17.669,1115 4353,1116 7373,1117 15.433,1118 26.051,1119 37.537,1120 37.809,1121 39.023,1122 36.979,1123 36.968,1124 50.37,1125 2.555,1126 111.048,1127 35.988,1128 5.439,1129 5.545,1130 6.566,1131 5.371,1132 5.335,1133 7.73,1134 2.555,1135 19.531,1136 5.215,1137 12.916,1138 1.564,1139 1.575,1140 1.626,1141 1.541,1142 1.54,1143 2.099,1144 0.106,1145 4.627,1146 1.499,1147 4.134,1148 4.181,1149 4.116,1150 4.002,1151 7.428,1152 4.022,1153 3.875,1154 3.903,1155 3.823,1156 3.773,1157 5.256,1158 3.784,1159 3.577,1160 3.655,1161 3.445,1162 3.409,1163 4.88,1164 3.401,1165 3.425,1166 3.469,1167 3.332,1168 3.247,1169 4.673,1170 3.26,1171 3.157,1172 3.25,1173 3.039,1174 2.91,1175 4.468,1176 2.935,1177 2.991,1178 3.101,1179 2.869,1180 2.735,1181 4.071,1182 2.72,1183 2.874,1184 3.009,1185 2.687,1186 2.683,1187 3.772,1188 2.715,1189 2.854,1190 2.925,1191 2.521,1192 2.618,1193 3.677,1194 2.57,1195 0.198,1196 0.148,1197 0.293,1198 0.179,1199 0.139,1200 4.758,1201 0.197,1202 3.545,1203 0.053,1204 7.038,1205 0.503,1206 4.298,1207 0.134,1208 3.335,1209 4.73,1210 1.277,1211 12.08,1212 3.215,1213 1.952,1214 1.932,1215 2.036,1216 2.043,1217 1.163,1218 2.036,1219 1.807,1220 1.76,1221 1.947,1222 1.997,1223 1.133,1224 1.982,1225 1.625,1226 1.562,1227 1.791,1228 1.825,1229 0.867,1230 1.825,1231 1.388,1232 1.339,1233 1.649,1234 1.603,1235 0.678,1236 1.617,1237 1.088,1238 1.012,1239 1.417,1240 1.379,1241 0.469,1242 1.356,1243 0.934,1244 0.821,1245 1.251,1246 1.239,1247 0.273,1248 1.308,1249 0.886,1250 0.804,1251 1.181,1252 1.198,1253 0.218,1254 1.189,1255 0.857,1256 0.763,1257 1.137,1258 1.062,1259 0.038,1260 1.107,1261 3.892,1263 5.242,1264 2.398,1265 6.79,1266 4.844,1267 8.43,1268 7.081,1269 10.119,1271 5.616,1275 6.027,1281 0.155,1289 24.983,1290 61.034,1291 145.302,1292 165.866,1293 169.866,1294 173.866,1295 173.866,1296 34.964,1297 6.959,1298 86.69,1299 86.69,1300 17,1301 12.548,1302 4.17,1303 3.322,1304 34.302,1305 64,1306 70,1307 0.269,1308 156.616,1309 258.25,1310 373.904,1311 8177,1313 15.853,1314 0.721,1315 0.579,1316 15.853,1317 12.739,1318 10.486,1319 0.437,1320 0.295,1321 6.995,1322 10.086,1323 6.715,1324 5.642,1325 10.486,1326 7.088,1327 9.876,1328 0.282,1329 0.157,1330 9.876,1331 5.478,1332 8.158,1333 0.17,1334 0.074,1335 8.158,1336 3.572,1337 6.881,1338 0.106,1339 0.037,1340 6.881,1341 2.42,1342 5.577,1343 0.066,1344 0.019,1345 5.577,1346 1.635,1347 0.405,1348 65.636,1349 0.255,1350 21.171,1351 0.79,1352 118,1353 341.628,1354 129.54,1355 336.69,1356 467.88,1357 314,1358 142,1359 358.929,1360 154.291,1361 363.832,1362 533.43,1363 342,1364 4}
{0 CHEMBL1241774,1 1.504,2 8.043,3 1.89,4 3.573,5 87.955,6 8.036,7 0.808,8 3.777,9 3.911,10 3.423,11 3.307,12 4.96,13 3.314,14 4.268,15 4.451,16 3.806,17 3.685,18 5.397,19 3.685,20 4.454,21 4.658,22 3.874,23 3.796,24 5.573,25 3.784,26 4.515,27 4.737,28 3.822,29 3.81,30 5.63,31 3.769,32 4.462,33 4.679,34 3.659,35 3.763,36 5.493,37 3.697,38 4.398,39 4.608,40 3.617,41 3.688,42 5.5,43 3.62,44 4.472,45 4.742,46 3.409,47 3.586,48 5.504,49 3.475,50 4.293,51 4.607,52 3.137,53 3.308,54 5.199,55 3.172,56 0.061,57 0.665,58 6.744,59 2.797,60 8.807,61 3.67,62 0.175,63 1.028,64 12.845,65 4.582,66 18.411,67 6.319,68 0.239,69 1.191,70 16.342,71 5.168,72 21.879,73 7.268,74 0.324,75 1.215,76 18.179,77 5.924,78 31.67,79 8.355,80 0.24,81 1.129,82 16.906,83 5.684,84 24.369,85 7.94,86 0.184,87 1.067,88 15.427,89 5.566,90 23.523,91 7.796,92 0.338,93 1.028,94 19.578,95 6.019,96 41.448,97 8.865,98 0.26,99 0.782,100 18.548,101 5.765,102 30.522,103 8.903,104 11,105 38,106 0.265,107 0.664,108 0.774,109 0.805,110 0.814,111 0.823,112 3.19,113 0.848,114 -3.45,115 -3.42,116 -3.27,118 42.1,119 2,126 1,138 3,139 2,141 2,142 3,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 9,172 1,173 1,175 1,178 4,180 1,181 2,182 9,188 3,191 2,192 9,194 3,195 3,197 1,199 3,201 1,203 1,204 6,208 2,211 2,213 2,214 2,215 5,220 3,223 4,225 3,227 3,230 1,231 1,235 2,239 2,240 2,242 1,243 1,252 2,264 677,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.264,271 9.487,272 9.059,273 16.026,274 12.838,275 12.838,276 12.838,277 12.838,278 12.838,279 9.221,280 7.5,281 4.27,282 13.46,283 3.744,284 1.471,285 0.849,286 0.671,287 0.619,288 0.566,289 3.888,292 1,293 1,294 1,295 407,296 2.646,299 40.642,300 150.345,303 78.29,304 83.376,307 1.18,308 18.047,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 49.5,320 185,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.22,330 4.396,331 2.923,332 6.247,333 3.881,334 2.913,335 4.324,337 9.372,338 2.818,339 3.85,340 2.664,341 6.069,342 3.509,343 2.554,344 3.298,346 8.561,347 2.436,348 3.744,349 2.399,350 5.712,351 3.325,352 2.367,353 3.179,355 7.453,356 2.265,357 3.118,358 1.822,359 4.82,360 2.685,361 1.744,362 2.427,364 4.819,365 1.638,366 3.08,367 1.618,368 4.531,369 2.572,370 1.618,371 2.368,373 4.487,374 1.542,375 3.016,376 1.579,377 4.367,378 2.52,379 1.579,380 2.141,382 4.088,383 1.482,384 2.86,385 1.368,386 3.864,387 2.321,388 1.368,389 2.035,391 2.999,392 1.301,393 2.527,394 1.059,395 3.614,396 2.007,397 1.058,398 1.539,400 2.733,401 1.001,402 2.186,403 0.856,404 3.486,405 1.791,406 0.827,407 1.077,409 2.06,410 0.796,411 2.085,412 0.639,413 3.162,414 1.579,415 0.632,416 0.922,417 1.506,418 0.597,419 1.084,420 -0.144,421 2.682,422 0.654,423 -0.273,424 -0.348,425 -0.643,426 -0.251,427 1.03,428 -0.409,429 2.425,430 0.532,431 -0.415,432 -0.587,433 -1.037,434 -0.394,435 0.882,436 -0.618,437 2.262,438 0.346,439 -0.618,440 -0.927,441 -1.598,442 -0.593,443 0.644,444 -0.776,445 2.229,446 0.123,447 -0.811,448 -1,449 -2,450 -0.754,451 10.8,452 0.47,453 0.61,454 0.027,455 34.5,456 1.5,457 18.5,458 0.804,459 16,460 0.696,461 15.853,462 0.689,463 23.4,464 0.616,465 23.287,466 1.012,467 6.586,468 0.286,469 4.562,470 0.198,471 0.13,473 0.407,478 0.882,479 1.326,480 0.711,481 1.021,482 1.051,483 0.87,484 0.875,485 1.131,486 0.677,487 0.869,488 0.672,489 0.763,490 1.187,491 1.121,492 0.875,493 0.875,494 0.866,495 0.831,496 1.004,497 0.918,498 0.962,499 0.912,500 0.979,501 0.926,502 1.203,503 1.04,504 1.183,505 1.081,506 1.025,507 1.12,508 0.962,509 1.267,510 1.141,511 1.314,512 1.118,513 1.268,514 1.016,515 0.879,516 1.165,517 1.056,518 1.439,519 1.121,520 0.57,521 0.787,522 0.736,523 0.853,524 0.528,525 0.829,526 4,527 0.025,528 2.889,529 1.917,530 1.869,531 0.799,532 0.485,533 0.38,534 0.179,535 0.082,536 5247,537 14000,538 2.141,539 39.5,541 4,543 3,544 2,546 6,549 1.663,550 2,551 3.014,552 0.364,553 1,554 1,556 1,558 57.166,559 1.504,560 3.776,561 4.399,562 4.577,563 4.629,564 4.682,565 2.442,566 4.437,567 4.497,568 3.132,569 792.408,570 7.773,571 8620.42,572 1,573 1,575 1,576 199.421,577 1.422,578 4.454,579 0.154,580 0.008,581 0.076,582 0.048,583 0.051,584 0.026,585 0.017,586 0.017,587 0.011,588 0.008,589 0.415,590 0.5,591 1,592 0.777,593 104.655,594 -0.009,595 -0.162,596 0.059,597 -0.049,598 -0.176,599 0.005,600 0.102,601 -0.04,602 0.192,603 0.089,604 0.15,605 0.144,606 -0.119,607 -0.051,608 0.035,609 0.057,610 0.02,611 0.07,612 0.037,613 0.112,614 -0.021,615 0.035,616 0.029,617 0.004,618 -0.245,619 -0.02,620 -0.262,621 -0.115,622 -0.158,623 -0.177,624 -0.051,625 -0.255,626 -0.231,627 -0.337,628 -0.075,629 -0.319,630 0.009,631 0.038,632 -0.129,633 -0.091,634 -0.215,635 -0.126,636 0.325,637 -0.004,638 0.401,639 0.179,640 0.404,641 0.281,642 1.24,643 2.088,644 0.826,645 15.981,646 1.007,647 1.135,648 2.216,649 4.91,650 0.686,651 3.296,652 3.664,653 4.007,654 4.344,655 4.625,656 4.745,657 4.868,658 5.024,659 5.106,660 5.106,661 4.96,662 0.665,663 305.38,664 3.296,665 4.86,666 5.746,667 6.658,668 7.567,669 8.486,670 9.403,671 10.325,672 11.245,673 12.17,674 18.4,678 1,682 1,684 5,689 4,690 6,691 5,695 3,696 1,697 21,708 1,716 38,718 21,719 1,720 26,722 41,723 16,724 13,725 3,726 3,728 4,729 6,732 2,738 1,740 13,741 3,756 1,757 1,760 15,761 6,762 2,763 7,769 7,775 0.5,784 1,785 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 23,828 1,837 1,858 11.5,859 7.617,860 4.944,861 2.291,863 4.316,864 1.577,865 1.03,866 3.119,867 11.795,868 3.624,869 4.341,870 5.068,871 5.772,872 6.396,873 6.819,874 7.316,875 7.841,876 8.264,877 8.596,878 1,879 40,880 8.426,881 3.617,882 7.674,883 16.039,884 13.24,885 2.174,886 50,890 153.024,891 89.639,892 118.479,897 89.639,898 153.024,899 118.479,900 17.65,902 61.326,903 120.834,904 41.294,905 2.328,906 117.711,908 153.024,909 208.118,913 82.398,914 70.627,917 54.901,918 69.412,919 83.805,921 153.024,922 118.479,923 89.639,926 153.024,927 16.847,928 74.569,930 116.702,931 153.024,932 118.479,933 89.639,935 0.591,936 0.357,937 0.206,938 0.119,939 21,940 9,941 0.049,942 2,943 2,944 1.211,945 3.435,946 199.866,947 0.211,948 19,949 102.042,954 13.891,955 5.165,956 2.184,957 3.159,958 116.702,959 10.675,960 21.824,964 2.111,965 1.865,966 32.897,967 361.143,968 36.5,980 38.247,981 43.149,983 0.287,984 0.72,985 0.838,986 0.872,987 0.882,988 0.892,989 4.862,990 1.368,991 5.753,992 4.088,993 4.344,994 5.027,996 6.632,997 4.256,998 6.113,999 1.058,1000 7.352,1001 2.999,1002 4.007,1003 4.956,1005 7.667,1006 3.895,1007 7.453,1008 0.827,1009 9.055,1010 2.733,1011 5.994,1012 7.398,1014 10.825,1015 5.832,1016 8.836,1017 0.632,1018 10.819,1019 2.06,1020 6.494,1021 8.195,1023 12.713,1024 6.308,1025 10.255,1026 -0.273,1027 12.622,1028 1.506,1029 7.967,1030 10.095,1032 15.399,1033 7.738,1034 11.699,1035 -0.415,1036 14.453,1037 -0.643,1038 8.846,1039 11.297,1041 17.635,1042 8.588,1043 13.165,1044 -0.618,1045 16.304,1046 -1.037,1047 10.125,1048 12.976,1050 20.172,1051 9.829,1052 3.339,1053 -0.811,1054 18.169,1055 -1.598,1056 11.175,1057 14.365,1059 22.553,1060 10.847,1061 2.913,1062 12.088,1063 20.047,1064 -2,1065 12.385,1066 15.954,1068 25.048,1069 12.021,1070 2.554,1071 9.372,1072 21.934,1073 4.737,1074 13.51,1075 17.426,1077 27.49,1078 13.112,1079 2.367,1080 8.561,1081 23.83,1082 4.324,1083 14.7,1084 18.982,1086 29.975,1087 14.266,1088 1.744,1089 7.453,1090 25.732,1091 3.298,1092 15.861,1093 20.49,1095 32.444,1096 15.391,1097 1.618,1098 4.819,1099 27.64,1100 3.179,1101 17.047,1102 22.034,1104 34.929,1105 16.542,1106 1.579,1107 4.487,1108 29.553,1109 2.427,1110 18.225,1111 23.56,1113 37.41,1114 17.684,1115 4990,1116 8289,1117 17.512,1118 26.086,1119 40.362,1120 39.93,1121 41.515,1122 40.002,1123 39.997,1124 56.095,1126 120.33,1127 38.192,1128 5.429,1129 5.376,1130 6.727,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.22,1137 10.072,1138 1.552,1139 1.536,1140 1.597,1141 1.539,1142 1.538,1143 2.157,1145 4.628,1146 1.469,1147 4.152,1148 4.196,1149 4.133,1150 4.028,1151 5.26,1152 4.047,1153 3.972,1154 4.017,1155 3.943,1156 3.826,1157 5.071,1158 3.852,1159 3.578,1160 3.655,1161 3.445,1162 3.412,1163 4.857,1164 3.404,1165 3.435,1166 3.489,1167 3.364,1168 3.29,1169 4.531,1170 3.303,1171 3.151,1172 3.241,1173 3.044,1174 2.931,1175 4.32,1176 2.953,1177 2.997,1178 3.103,1179 2.881,1180 2.767,1181 4.119,1182 2.778,1183 2.919,1184 3.009,1185 2.821,1186 2.678,1187 4.034,1188 2.712,1189 2.874,1190 2.991,1191 2.524,1192 2.618,1193 3.683,1194 2.57,1195 0.183,1196 0.13,1197 0.271,1198 0.165,1199 0.128,1200 4.762,1201 0.182,1202 3.376,1204 7.039,1205 0.465,1206 4.303,1207 0.124,1208 3.339,1209 4.737,1211 12.088,1212 3.22,1213 2.01,1214 1.983,1215 2.072,1216 2.115,1217 1.18,1218 2.104,1219 1.819,1220 1.773,1221 1.948,1222 2.019,1223 1.14,1224 1.992,1225 1.638,1226 1.573,1227 1.796,1228 1.844,1229 0.865,1230 1.839,1231 1.406,1232 1.351,1233 1.562,1234 1.581,1235 0.534,1236 1.582,1237 1.085,1238 1.018,1239 1.417,1240 1.362,1241 0.469,1242 1.341,1243 0.934,1244 0.838,1245 1.245,1246 1.239,1247 0.257,1248 1.308,1249 0.912,1250 0.804,1251 1.167,1252 1.197,1253 0.146,1254 1.191,1255 0.816,1256 0.742,1257 1.045,1258 1.094,1259 0.034,1260 1.089,1261 3.97,1263 5.323,1264 2.398,1265 6.884,1266 4.844,1267 8.542,1268 7.081,1269 10.249,1271 4.112,1275 6.088,1281 0.167,1289 25.257,1290 57.166,1291 143.505,1292 167.157,1293 173.911,1294 175.911,1295 177.911,1296 27.631,1297 7.478,1298 95.4,1299 95.4,1300 23,1301 12.676,1302 4.459,1303 3.524,1304 31.639,1305 67,1306 68,1307 0.235,1308 155.888,1309 245.56,1310 372.126,1311 16621,1313 15.974,1314 0.695,1315 0.557,1316 15.974,1317 12.802,1318 11.148,1319 0.429,1320 0.283,1321 7.236,1322 10.685,1323 7.023,1324 5.862,1325 11.148,1326 7.347,1327 10.335,1328 0.272,1329 0.147,1330 10.335,1331 5.604,1332 8.979,1333 0.166,1334 0.069,1335 8.979,1336 3.75,1337 7.939,1338 0.104,1339 0.035,1340 7.939,1341 2.668,1342 6.765,1343 0.067,1344 0.018,1345 6.765,1346 1.862,1347 0.352,1348 69.938,1349 0.239,1350 21.912,1351 0.697,1352 128,1353 359.183,1354 140.878,1355 357.046,1356 508.95,1357 336,1358 156,1359 402.223,1360 170.349,1361 407.18,1362 601.04,1363 384,1364 4.495}
{0 CHEMBL1241775,1 1.536,2 8.043,3 0.935,4 0.875,5 84.309,6 8.28,7 0.808,8 3.763,9 3.899,10 3.431,11 3.265,12 4.971,13 3.286,14 4.251,15 4.438,16 3.814,17 3.637,18 5.414,19 3.653,20 4.416,21 4.618,22 3.883,23 3.738,24 5.578,25 3.744,26 4.481,27 4.706,28 3.826,29 3.749,30 5.63,31 3.727,32 4.413,33 4.626,34 3.666,35 3.706,36 5.483,37 3.657,38 4.359,39 4.567,40 3.63,41 3.631,42 5.521,43 3.577,44 4.434,45 4.707,46 3.414,47 3.51,48 5.494,49 3.418,50 4.23,51 4.55,52 3.13,53 3.209,54 5.187,55 3.11,56 0.081,57 0.67,58 6.196,59 2.547,60 8.925,61 3.309,62 0.234,63 1.019,64 12.238,65 4.137,66 21.257,67 5.698,68 0.286,69 1.158,70 14.991,71 4.601,72 22.743,73 6.452,74 0.385,75 1.167,76 17.211,77 5.279,78 34.357,79 7.463,80 0.289,81 1.083,82 15.248,83 5.031,84 24.194,85 6.939,86 0.264,87 1.026,88 14.114,89 5.133,90 28.254,91 7.11,92 0.376,93 0.957,94 18.784,95 5.372,96 41.74,97 8.061,98 0.348,99 0.71,100 17.883,101 4.622,102 35.045,103 7.372,104 11,105 38,106 0.272,107 0.674,108 0.786,109 0.818,110 0.827,111 0.827,112 3.19,113 0.832,114 -3.26,115 -3.25,116 -3.12,118 40.5,119 2,126 1,138 1,139 2,141 3,142 2,143 1,144 1,145 1,156 1,158 1,159 1,160 1,161 1,167 1,170 3,171 9,172 1,173 1,175 1,178 2,180 1,181 3,182 7,188 1,191 3,192 7,194 3,195 3,197 1,199 2,201 1,203 2,204 3,208 1,211 2,213 1,214 4,215 3,217 1,218 1,220 2,223 2,225 2,227 3,228 2,230 1,231 1,239 2,240 2,242 1,243 1,252 2,264 677,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.264,271 9.487,272 9.059,273 16.082,274 12.838,275 12.838,276 12.838,277 12.838,278 12.838,279 9.221,280 7.5,281 4.27,282 13.554,283 3.673,284 1.395,285 0.764,286 0.581,287 0.527,288 0.527,289 3.888,293 1,294 1,295 407,296 2.646,299 40.642,300 150.345,303 78.29,304 83.376,307 1.18,308 20.122,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 50,320 185,321 4.762,322 3.376,323 7.039,324 4.302,325 3.339,326 4.737,328 12.088,329 3.217,330 4.396,331 2.923,332 6.247,333 3.867,334 2.913,335 4.324,337 9.372,338 2.778,339 3.85,340 2.664,341 6.069,342 3.507,343 2.554,344 3.298,346 8.561,347 2.431,348 3.744,349 2.399,350 5.712,351 3.322,352 2.367,353 3.179,355 7.453,356 2.259,357 3.118,358 1.822,359 4.82,360 2.685,361 1.744,362 2.427,364 4.819,365 1.638,366 3.08,367 1.618,368 4.531,369 2.538,370 1.618,371 2.368,373 4.487,374 1.487,375 3.016,376 1.579,377 4.367,378 2.518,379 1.579,380 2.141,382 4.088,383 1.477,384 2.86,385 1.368,386 3.864,387 2.319,388 1.368,389 2.035,391 2.999,392 1.298,393 2.527,394 1.059,395 3.614,396 2.003,397 1.058,398 1.539,400 2.733,401 0.997,402 2.186,403 0.856,404 3.486,405 1.784,406 0.827,407 1.077,409 2.06,410 0.79,411 2.085,412 0.639,413 3.162,414 1.556,415 0.632,416 0.922,417 1.506,418 0.583,419 1.084,420 -0.144,421 2.682,422 0.649,423 -0.273,424 -0.348,425 -0.643,426 -0.25,427 1.03,428 -0.409,429 2.425,430 0.52,431 -0.415,432 -0.587,433 -1.037,434 -0.387,435 0.882,436 -0.618,437 2.262,438 0.322,439 -0.618,440 -0.927,441 -1.598,442 -0.58,443 0.644,444 -0.776,445 2.229,446 0.122,447 -0.811,448 -1,449 -2,450 -0.754,451 10.7,452 0.465,453 0.61,454 0.027,455 35,456 1.522,457 18.5,458 0.804,459 16.5,460 0.717,461 15.56,462 0.677,463 23.5,464 0.635,465 23.579,466 1.025,467 6.664,468 0.29,469 4.484,470 0.195,471 0.131,473 0.411,478 0.903,479 1.429,480 0.686,481 1.07,482 1.035,483 0.878,484 0.883,485 1.117,486 0.653,487 0.838,488 0.691,489 0.725,490 1.123,491 1.181,492 0.841,493 0.91,494 0.825,495 0.836,496 0.998,497 0.888,498 0.929,499 0.861,500 0.967,501 0.878,502 1.168,503 1.059,504 1.188,505 1.111,506 1.033,507 1.146,508 0.811,509 1.184,510 1.117,511 1.342,512 1.049,513 1.299,514 1.017,515 0.932,516 1.134,517 1.063,518 1.356,519 1.111,520 0.881,521 0.647,522 0.794,523 0.642,524 0.742,525 0.69,526 4,527 0.025,528 2.889,529 1.917,530 1.869,531 0.799,532 0.485,533 0.38,534 0.179,535 0.082,536 5247,537 14644,538 2.141,539 37.8,541 2,543 4,544 2,546 6,549 1.663,550 2,551 3.014,552 0.407,554 1,556 1,558 56.843,559 1.536,560 3.814,561 4.446,562 4.628,563 4.682,564 4.682,565 2.442,566 4.437,567 4.497,568 3.132,569 792.408,570 7.773,571 8620.42,572 1,573 1,576 192.75,577 1.422,578 4.454,579 0.154,580 0.008,581 0.076,582 0.048,583 0.051,584 0.026,585 0.017,586 0.017,587 0.011,588 0.008,589 0.415,590 0.5,591 1,592 0.777,593 104.655,594 -0.048,595 -0.25,596 0.058,597 -0.092,598 -0.179,599 -0.013,600 0.095,601 -0.022,602 0.209,603 0.117,604 0.148,605 0.173,606 -0.089,607 -0.111,608 0.052,609 0.022,610 0.05,611 0.057,612 0.036,613 0.134,614 0.014,615 0.084,616 0.043,617 0.052,618 -0.223,619 -0.028,620 -0.284,621 -0.144,622 -0.171,623 -0.211,624 0.098,625 -0.163,626 -0.215,627 -0.362,628 0.001,629 -0.353,630 0.003,631 -0.042,632 -0.073,633 -0.096,634 -0.174,635 -0.099,636 0.15,637 0.13,638 0.393,639 0.354,640 0.295,641 0.409,642 1.267,643 2.068,644 0.826,645 15.981,646 1.013,647 1.141,648 2.03,649 4.121,650 0.685,651 3.296,652 3.664,653 4.007,654 4.344,655 4.625,656 4.745,657 4.868,658 5.024,659 5.106,660 5.106,661 4.96,662 0.669,663 306.37,664 3.296,665 4.86,666 5.746,667 6.658,668 7.567,669 8.486,670 9.403,671 10.325,672 11.245,673 12.17,674 21.6,678 1,682 1,684 6,689 4,690 5,691 6,695 3,696 1,697 21,708 1,716 37,718 21,720 26,722 40,723 15,724 12,728 4,729 6,732 2,738 1,740 12,741 3,756 1,757 1,760 14,761 7,762 2,763 8,769 8,775 0.5,784 1,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 23,828 1,837 1,858 11.5,859 7.483,860 4.944,861 2.214,863 4.316,864 1.577,865 1.027,866 3.085,867 11.795,868 3.624,869 4.341,870 5.068,871 5.772,872 6.396,873 6.819,874 7.316,875 7.841,876 8.264,877 8.596,878 1,879 40,880 8.416,881 3.615,882 7.717,883 15.909,884 13.048,885 2.217,886 51,890 141.253,891 79.305,892 135.264,897 79.305,898 141.253,899 135.264,900 17.65,902 42.373,903 149.39,904 49.912,905 2.328,906 94.169,908 141.253,909 214.57,913 72.342,914 70.627,917 61.804,918 50.46,919 100.591,921 141.253,922 135.264,923 79.305,926 141.253,927 16.418,928 64.664,930 133.488,931 141.253,932 135.264,933 79.305,935 0.591,936 0.357,937 0.206,938 0.119,939 21,940 9,941 0.05,942 2,943 2,944 1.211,945 3.435,946 199.866,947 0.211,948 19,949 102.042,954 13.83,955 5.13,956 2.165,957 2.73,958 133.488,959 8.316,960 25.913,964 1.909,965 1.837,966 32.897,967 355.823,968 36.5,980 37.465,981 42.232,983 0.295,984 0.732,985 0.853,986 0.888,987 0.899,988 0.899,989 4.862,990 1.368,991 5.753,992 4.088,993 4.344,994 5.027,996 6.632,997 4.243,998 6.113,999 1.058,1000 7.352,1001 2.999,1002 4.007,1003 4.956,1005 7.667,1006 3.884,1007 7.453,1008 0.827,1009 9.055,1010 2.733,1011 5.994,1012 7.398,1014 10.825,1015 5.807,1016 8.836,1017 0.632,1018 10.819,1019 2.06,1020 6.494,1021 8.195,1023 12.713,1024 6.288,1025 10.255,1026 -0.273,1027 12.622,1028 1.506,1029 7.967,1030 10.095,1032 15.399,1033 7.707,1034 11.699,1035 -0.415,1036 14.453,1037 -0.643,1038 8.846,1039 11.297,1041 17.635,1042 8.561,1043 13.165,1044 -0.618,1045 16.304,1046 -1.037,1047 10.125,1048 12.976,1050 20.172,1051 9.795,1052 3.339,1053 -0.811,1054 18.169,1055 -1.598,1056 11.175,1057 14.365,1059 22.553,1060 10.815,1061 2.913,1062 12.088,1063 20.047,1064 -2,1065 12.385,1066 15.954,1068 25.048,1069 11.985,1070 2.554,1071 9.372,1072 21.934,1073 4.737,1074 13.51,1075 17.426,1077 27.49,1078 13.078,1079 2.367,1080 8.561,1081 23.83,1082 4.324,1083 14.7,1084 18.982,1086 29.975,1087 14.23,1088 1.744,1089 7.453,1090 25.732,1091 3.298,1092 15.861,1093 20.49,1095 32.444,1096 15.356,1097 1.618,1098 4.819,1099 27.64,1100 3.179,1101 17.047,1102 22.034,1104 34.929,1105 16.507,1106 1.579,1107 4.487,1108 29.553,1109 2.427,1110 18.225,1111 23.56,1113 37.41,1114 17.649,1115 4990,1116 8487,1117 17.512,1118 25.33,1119 40.362,1120 39.93,1121 41.515,1122 39.987,1123 39.997,1124 56.095,1126 120.33,1127 37.91,1128 5.429,1129 5.376,1130 6.727,1131 5.375,1132 5.339,1133 7.737,1135 19.555,1136 5.175,1137 10.072,1138 1.552,1139 1.536,1140 1.597,1141 1.538,1142 1.538,1143 2.157,1145 4.628,1146 1.458,1147 4.145,1148 4.193,1149 4.129,1150 4,1151 5.264,1152 4.026,1153 3.956,1154 4.007,1155 3.933,1156 3.791,1157 5.126,1158 3.821,1159 3.578,1160 3.655,1161 3.445,1162 3.412,1163 4.857,1164 3.403,1165 3.426,1166 3.482,1167 3.359,1168 3.275,1169 4.544,1170 3.29,1171 3.133,1172 3.229,1173 3.029,1174 2.882,1175 4.418,1176 2.913,1177 2.985,1178 3.093,1179 2.87,1180 2.679,1181 4.157,1182 2.718,1183 2.874,1184 3.009,1185 2.791,1186 2.622,1187 4.036,1188 2.652,1189 2.858,1190 2.939,1191 2.524,1192 2.618,1193 3.69,1194 2.57,1195 0.183,1196 0.13,1197 0.271,1198 0.165,1199 0.128,1200 4.762,1201 0.182,1202 3.376,1204 7.039,1205 0.465,1206 4.302,1207 0.124,1208 3.339,1209 4.737,1211 12.088,1212 3.217,1213 1.966,1214 1.933,1215 2.016,1216 2.106,1217 1.15,1218 2.082,1219 1.815,1220 1.767,1221 1.947,1222 2.019,1223 1.086,1224 1.991,1225 1.637,1226 1.572,1227 1.793,1228 1.844,1229 0.841,1230 1.839,1231 1.394,1232 1.339,1233 1.544,1234 1.575,1235 0.525,1236 1.572,1237 1.038,1238 0.962,1239 1.417,1240 1.352,1241 0.469,1242 1.328,1243 0.934,1244 0.804,1245 1.219,1246 1.239,1247 0.175,1248 1.308,1249 0.828,1250 0.747,1251 1.054,1252 1.17,1253 0.035,1254 1.147,1255 0.772,1256 0.697,1257 0.996,1258 1.052,1260 1.035,1261 3.97,1263 5.323,1264 2.398,1265 6.884,1266 4.844,1267 8.542,1268 7.081,1269 10.249,1271 4.081,1275 6.068,1281 0.147,1289 24.752,1290 56.843,1291 141.124,1292 164.485,1293 171.24,1294 173.24,1295 173.24,1296 27.845,1297 7.478,1298 108.29,1299 108.29,1300 23,1301 12.676,1302 4.459,1303 3.524,1304 31.639,1305 67,1306 68,1307 0.235,1308 153.09,1309 239.26,1310 365.299,1311 16621,1313 15.974,1314 0.695,1315 0.551,1316 15.974,1317 12.672,1318 11.148,1319 0.429,1320 0.277,1321 7.08,1322 10.621,1323 6.881,1324 5.743,1325 11.148,1326 7.207,1327 10.335,1328 0.272,1329 0.144,1330 10.335,1331 5.468,1332 8.979,1333 0.166,1334 0.067,1335 8.979,1336 3.605,1337 7.939,1338 0.104,1339 0.033,1340 7.939,1341 2.545,1342 6.765,1343 0.067,1344 0.017,1345 6.765,1346 1.755,1347 0.352,1348 70.392,1349 0.239,1350 21.912,1351 0.697,1352 128,1353 378.828,1354 142.654,1355 374.358,1356 531.39,1357 352,1358 156,1359 418.687,1360 172.375,1361 422.844,1362 624.3,1363 398,1364 4}
{0 CHEMBL1241776,1 1.638,2 8.083,3 1.378,4 1.9,5 90.791,6 8.241,7 0.593,8 3.81,9 3.942,10 3.466,11 3.319,12 5.022,13 3.337,14 4.306,15 4.48,16 3.865,17 3.716,18 5.497,19 3.723,20 4.508,21 4.695,22 3.952,23 3.841,24 5.704,25 3.842,26 4.586,27 4.796,28 3.915,29 3.843,30 5.815,31 3.822,32 4.505,33 4.714,34 3.728,35 3.785,36 5.6,37 3.735,38 4.448,39 4.649,40 3.691,41 3.716,42 5.635,43 3.663,44 4.516,45 4.772,46 3.533,47 3.621,48 5.6,49 3.538,50 4.368,51 4.659,52 3.376,53 3.371,54 5.537,55 3.27,56 0.099,57 0.68,58 6.659,59 2.814,60 9.671,61 3.569,62 0.278,63 1.049,64 12.902,65 4.823,66 24.748,67 6.457,68 0.29,69 1.22,70 16.594,71 5.602,72 27.448,73 7.528,74 0.468,75 1.251,76 19.254,77 6.196,78 49.884,79 8.409,80 0.308,81 1.149,82 17.219,83 5.813,84 31.192,85 7.908,86 0.314,87 1.088,88 15.899,89 5.708,90 36.506,91 7.798,92 0.407,93 1.044,94 20.022,95 6.052,96 41.893,97 8.858,98 0.479,99 0.814,100 19.761,101 6.129,102 59.874,103 9.335,104 18,105 40,106 0.287,107 0.717,108 0.818,109 0.839,110 0.839,111 0.839,112 3.23,113 0.836,114 -4.18,115 -4.13,116 -3.9,118 41,119 2,126 1,138 3,139 3,140 1,142 1,143 1,144 1,153 2,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 10,172 1,173 3,175 2,178 6,180 1,181 1,182 8,186 1,188 4,191 3,192 11,194 3,195 3,197 3,199 4,201 1,204 7,208 3,211 2,213 2,214 2,215 8,218 1,220 5,223 4,225 4,227 2,231 1,235 4,239 4,242 2,243 4,244 1,246 1,252 4,257 2,264 746,265 16.137,266 16.137,267 16.137,268 16.137,269 16.137,270 14.032,271 18.475,272 9.22,273 16.504,274 13.305,275 13.305,276 13.305,277 13.305,278 13.305,279 9.944,280 19.208,281 4.322,282 13.861,283 3.648,284 1.199,285 0.622,286 0.5,287 0.5,288 0.5,289 3.925,292 1,293 1,294 1,295 424,296 2.739,299 42.808,300 158.248,303 82.459,304 87.827,307 1.174,308 24.869,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 52.5,320 194,321 4.762,322 3.611,323 7.04,324 4.306,325 3.341,326 4.733,327 1.11,328 12.091,329 3.228,330 4.398,331 3.369,332 6.487,333 4.015,334 3.028,335 4.053,336 0.779,337 10.093,338 2.985,339 3.859,340 2.783,341 6.122,342 3.534,343 2.573,344 3.266,346 8.697,347 2.471,348 3.753,349 2.651,350 5.731,351 3.359,352 2.396,353 3.171,355 7.501,356 2.304,357 3.383,358 2.435,359 5.036,360 2.978,361 1.989,362 2.608,364 5.698,365 1.955,366 3.082,367 1.929,368 4.82,369 2.685,370 1.744,371 2.31,373 4.819,374 1.637,375 3.017,376 1.814,377 4.5,378 2.514,379 1.581,380 2.134,382 4.276,383 1.472,384 2.845,385 1.493,386 4.042,387 2.318,388 1.38,389 1.889,391 3.394,392 1.292,393 2.539,394 1.306,395 3.857,396 2.019,397 1.066,398 1.539,400 2.754,401 1.013,402 2.463,403 1.07,404 3.494,405 1.898,406 0.909,407 1.358,409 2.17,410 0.894,411 2.122,412 0.86,413 3.359,414 1.752,415 0.788,416 1.02,417 1.976,418 0.757,419 1.294,420 0.653,421 2.72,422 0.893,423 -0.105,424 -0.134,425 -0.25,426 -0.103,427 1.06,428 -0.12,429 2.431,430 0.618,431 -0.299,432 -0.385,433 -0.696,434 -0.274,435 0.932,436 -0.249,437 2.379,438 0.425,439 -0.533,440 -0.741,441 -1.325,442 -0.508,443 0.695,444 -0.556,445 2.27,446 0.232,447 -0.762,448 -1,449 -2,450 -0.733,451 11.133,452 0.464,453 0.699,454 0.029,455 34.75,456 1.448,457 18,458 0.75,459 16.75,460 0.698,461 17.293,462 0.721,463 24.867,464 0.638,465 25.027,466 1.043,467 6.697,468 0.279,469 4.862,470 0.203,471 0.156,473 0.44,478 0.823,479 1.323,480 0.701,481 1.002,482 0.74,483 0.849,484 0.654,485 1.017,486 0.645,487 0.844,488 0.545,489 0.755,490 1.082,491 1.204,492 0.846,493 0.964,494 0.876,495 0.87,496 1.013,497 0.918,498 0.966,499 0.913,500 1.013,501 0.927,502 1.104,503 1.124,504 1.162,505 1.117,506 0.86,507 1.135,508 0.874,509 1.212,510 1.127,511 1.267,512 0.873,513 1.25,514 0.908,515 1,516 1.109,517 1.103,518 1.042,519 1.129,520 0.334,521 0.648,522 0.658,523 0.869,524 0.524,525 0.846,526 4.5,527 0.025,528 3.333,529 2.229,530 2.02,531 0.917,532 0.485,533 0.515,534 0.25,535 0.098,536 5754,537 16767,538 2.11,539 38.5,541 4,543 2,544 3,546 6,549 1.675,550 1.946,551 3.024,552 1.08,553 1,554 1,556 1,558 63.876,559 1.638,560 4.086,561 4.663,562 4.785,563 4.785,564 4.785,565 2.418,566 4.502,567 4.56,568 3.149,569 869.246,570 7.901,571 9773.04,572 1,573 1,576 206.131,577 1.483,578 4.504,579 0.167,580 0.008,581 0.083,582 0.052,583 0.05,584 0.028,585 0.016,586 0.021,587 0.012,588 0.008,589 0.444,590 0.5,591 1,592 0.813,593 110.828,594 -0.071,595 -0.131,596 0.04,597 -0.017,598 -0.127,599 0.026,600 0.175,601 0.094,602 0.198,603 0.134,604 0.109,605 0.162,606 -0.146,607 -0.139,608 0.038,609 0.003,610 -0.019,611 0.052,612 0.008,613 0.11,614 -0.028,615 0.038,616 -0.003,617 0.003,618 -0.247,619 -0.099,620 -0.253,621 -0.139,622 -0.109,623 -0.181,624 -0.019,625 -0.188,626 -0.224,627 -0.285,628 -0.022,629 -0.296,630 0.003,631 -0.077,632 -0.083,633 -0.136,634 -0.145,635 -0.123,636 0.631,637 0.152,638 0.485,639 0.147,640 0.49,641 0.256,642 1.862,643 5.036,644 0.792,645 16.743,646 1.015,647 1.137,648 2.953,649 8.723,650 0.681,651 3.332,652 3.714,653 4.06,654 4.394,655 4.673,656 4.804,657 4.927,658 5.094,659 5.198,660 5.215,661 5.064,662 0.666,663 321.38,664 3.332,665 4.905,666 5.796,667 6.713,668 7.625,669 8.548,670 9.467,671 10.393,672 11.315,673 12.242,674 17.9,678 1,681 1,682 1,683 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,704 1,708 1,716 39,718 18,719 1,720 27,722 42,723 16,724 11,725 3,726 3,727 2,728 4,729 6,732 2,738 1,740 13,741 3,744 2,749 1,751 1,752 1,753 1,756 1,757 1,760 15,761 7,762 3,763 8,769 7,771 1,775 0.5,776 1,785 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 24,828 1,834 1,837 1,850 2.6,853 1,858 12.333,859 7.75,860 5.139,861 2.314,863 3.664,864 1.483,865 1.025,866 3.323,867 11.25,868 3.638,869 4.314,870 5.016,871 5.702,872 6.294,873 6.723,874 7.193,875 7.673,876 8.047,877 8.388,878 1,879 43,880 8.821,881 3.852,882 7.84,883 16.539,884 13.715,885 2.34,886 56.167,890 141.253,891 86.522,892 119.704,894 25.145,897 86.522,898 166.398,899 119.704,900 17.65,901 18.011,902 61.326,903 113.96,904 41.638,905 2.328,906 117.711,908 141.253,909 206.226,910 25.145,913 70.627,914 95.772,917 67.314,918 88.678,919 50.234,921 141.253,922 144.849,923 86.522,926 141.253,927 23.205,928 65.093,929 18.011,930 125.062,931 141.253,932 144.849,933 86.522,935 0.596,936 0.363,937 0.206,938 0.118,939 22,940 10,941 0.048,942 2,943 2,944 1.211,945 3.47,946 213.151,947 0.211,948 19,949 108.039,954 14.79,955 5.392,956 2.29,957 1.36,958 143.072,959 6.852,960 13.055,964 2.91,965 1.806,966 50.908,967 372.624,968 37,973 12.036,975 1.388,976 4.16,977 -0.196,980 39.574,981 44.358,983 0.31,984 0.773,985 0.882,986 0.905,987 0.905,988 0.905,989 4.898,990 1.38,991 5.814,992 4.276,993 4.394,994 5.001,995 1.543,996 6.706,997 4.322,998 6.146,999 1.066,1000 7.425,1001 3.394,1002 4.111,1003 4.945,1005 7.763,1006 4.03,1007 7.487,1008 0.909,1009 9.137,1010 2.754,1011 6.061,1012 7.316,1013 1.564,1014 10.919,1015 5.93,1016 8.868,1017 0.788,1018 10.909,1019 2.17,1020 6.594,1021 8.12,1023 12.812,1024 6.455,1025 10.283,1026 -0.105,1027 12.718,1028 1.976,1029 8.048,1030 9.974,1031 1.647,1032 15.499,1033 7.866,1034 11.724,1035 -0.299,1036 14.553,1037 -0.25,1038 8.945,1039 11.179,1041 17.732,1042 8.746,1043 13.186,1044 -0.533,1045 16.407,1046 -0.696,1047 10.217,1048 12.833,1049 1.773,1050 20.266,1051 9.981,1052 3.341,1053 -0.762,1054 18.275,1055 -1.325,1056 11.275,1057 14.223,1059 22.641,1060 11.015,1061 3.028,1062 12.091,1063 20.155,1064 -2,1065 12.482,1066 15.801,1067 1.924,1068 25.13,1069 12.188,1070 2.573,1071 10.093,1072 22.043,1073 4.733,1074 13.611,1075 17.275,1077 27.564,1078 13.288,1079 2.396,1080 8.697,1081 23.939,1082 4.053,1083 14.799,1084 18.827,1085 2.093,1086 30.043,1087 14.443,1088 1.989,1089 7.501,1090 25.842,1091 3.266,1092 15.959,1093 20.339,1095 32.504,1096 15.572,1097 1.744,1098 5.698,1099 27.749,1100 3.171,1101 17.144,1102 21.883,1103 2.272,1104 34.983,1105 16.723,1106 1.581,1107 4.819,1108 29.662,1109 2.608,1110 18.32,1111 23.413,1113 37.457,1114 17.866,1115 5511,1116 9549,1117 17.918,1118 26.54,1119 42.297,1120 43.238,1121 43.791,1122 41.571,1123 41.588,1124 56.159,1125 3.779,1126 126.937,1127 40.016,1128 5.588,1129 5.611,1130 6.585,1131 5.379,1132 5.341,1133 7.733,1134 2.22,1135 19.56,1136 5.228,1137 12.013,1138 1.567,1139 1.601,1140 1.622,1141 1.54,1142 1.54,1143 2.08,1144 0.14,1145 4.701,1146 1.482,1147 4.14,1148 4.185,1149 4.122,1150 4.009,1151 7.429,1152 4.03,1153 3.922,1154 3.958,1155 3.89,1156 3.79,1157 5.256,1158 3.811,1159 3.578,1160 3.655,1161 3.445,1162 3.409,1163 4.898,1164 3.402,1165 3.438,1166 3.497,1167 3.376,1168 3.224,1169 4.81,1170 3.258,1171 3.155,1172 3.244,1173 3.061,1174 2.922,1175 4.528,1176 2.949,1177 3.035,1178 3.107,1179 2.963,1180 2.813,1181 4.337,1182 2.839,1183 2.979,1184 3.056,1185 2.864,1186 2.677,1187 4.048,1188 2.715,1189 2.874,1190 3.009,1191 2.512,1192 2.618,1193 3.709,1194 2.57,1195 0.176,1196 0.134,1197 0.261,1198 0.159,1199 0.124,1200 4.762,1201 0.175,1202 3.611,1203 0.041,1204 7.04,1205 0.448,1206 4.306,1207 0.12,1208 3.341,1209 4.733,1210 1.11,1211 12.091,1212 3.228,1213 1.965,1214 1.945,1215 2.027,1216 2.066,1217 1.168,1218 2.053,1219 1.811,1220 1.764,1221 1.947,1222 2.013,1223 1.136,1224 1.987,1225 1.628,1226 1.564,1227 1.785,1228 1.839,1229 0.855,1230 1.832,1231 1.358,1232 1.302,1233 1.496,1234 1.6,1235 0.469,1236 1.58,1237 1.072,1238 1.01,1239 1.417,1240 1.368,1241 0.44,1242 1.342,1243 0.949,1244 0.888,1245 1.239,1246 1.239,1247 0.248,1248 1.308,1249 0.934,1250 0.804,1251 1.173,1252 1.212,1253 0.131,1254 1.198,1255 0.823,1256 0.743,1257 1.051,1258 1.147,1259 0.032,1260 1.122,1261 4.007,1263 5.371,1264 2.398,1265 6.94,1266 4.844,1267 8.606,1268 7.081,1269 10.321,1271 4.035,1275 6.066,1278 2.583,1281 0.112,1289 25.972,1290 63.876,1291 159.36,1292 181.866,1293 186.621,1294 186.621,1295 186.621,1296 35.723,1297 7.586,1298 115.37,1299 115.37,1300 23,1301 12.747,1302 4.248,1303 3.459,1304 33.621,1305 72,1306 66,1307 0.233,1308 159.884,1309 265.25,1310 381.877,1311 18886,1313 16.845,1314 0.702,1315 0.549,1316 16.845,1317 13.186,1318 11.559,1319 0.428,1320 0.279,1321 7.398,1322 11.032,1323 7.196,1324 5.994,1325 11.559,1326 7.525,1327 10.862,1328 0.272,1329 0.145,1330 10.862,1331 5.808,1332 9.453,1333 0.166,1334 0.069,1335 9.453,1336 3.921,1337 8.303,1338 0.104,1339 0.035,1340 8.303,1341 2.774,1342 6.997,1343 0.066,1344 0.018,1345 6.997,1346 1.931,1347 0.35,1348 72.98,1349 0.236,1350 22.675,1351 0.692,1352 134,1353 403.606,1354 149.148,1355 395.841,1356 553.97,1357 370,1358 164,1359 429.366,1360 180.12,1361 433.366,1362 640.78,1363 408,1364 4.854}
{0 CHEMBL1241858,1 1.693,2 9.12,3 2.255,4 5.087,5 98.771,6 8.156,7 0.571,8 3.916,9 4.046,10 3.555,11 3.432,12 5.036,13 3.424,14 4.449,15 4.627,16 3.948,17 3.861,18 5.51,19 3.825,20 4.735,21 4.955,22 4.056,23 3.991,24 5.783,25 3.923,26 4.78,27 5.039,28 3.913,29 3.924,30 5.778,31 3.843,32 4.638,33 4.88,34 3.853,35 3.844,36 5.659,37 3.789,38 4.602,39 4.816,40 3.909,41 3.861,42 5.7,43 3.81,44 4.623,45 4.843,46 3.87,47 3.857,48 5.732,49 3.764,50 4.595,51 4.837,52 3.706,53 3.724,54 5.678,55 3.597,56 0.108,57 0.711,58 8.408,59 3.551,60 11.911,61 4.684,62 0.229,63 1.129,64 16.42,65 6.248,66 20.539,67 8.555,68 0.384,69 1.331,70 26.834,71 8.546,72 43.15,73 12.057,74 0.54,75 1.338,76 30.753,77 8.496,78 47.618,79 12.37,80 0.411,81 1.233,82 22.781,83 6.683,84 37.272,85 9.95,86 0.408,87 1.212,88 21.083,89 6.253,90 36.659,91 9.078,92 0.411,93 1.142,94 22.895,95 7.554,96 47.832,97 10.82,98 0.5,99 1.002,100 25.104,101 7.237,102 59.709,103 10.239,104 10,105 40,106 0.293,107 0.691,108 0.825,109 0.897,110 0.897,111 0.897,112 3.268,113 0.93,114 -4.62,115 -4.54,116 -4.27,118 38.6,120 2,121 1,124 3,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 6,172 1,173 1,175 4,178 5,180 1,181 1,182 5,186 4,188 5,191 2,192 8,194 3,195 4,197 2,199 3,201 1,204 7,206 2,208 3,211 2,213 2,215 5,218 2,220 3,223 5,225 2,228 2,231 2,232 1,233 2,234 1,235 4,237 1,240 3,243 1,244 1,245 5,246 1,247 3,249 2,257 2,260 2,264 865,265 16.999,266 16.999,267 16.999,268 16.999,269 16.999,270 15.039,271 16.752,272 9.976,273 17.45,274 13.827,275 13.827,276 13.827,277 13.827,278 13.827,279 10.889,280 16.208,281 4.758,282 14.641,283 3.766,284 1.462,285 0.688,286 0.273,287 0.273,288 0.273,289 3.966,290 1,292 1,293 1,294 1,295 498,296 2.345,299 48.484,300 201.759,303 93.016,307 1.344,308 26.007,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 54.333,320 228,321 4.747,322 3.356,323 7.003,324 4.283,325 3.318,326 4.724,327 0.4,328 11.965,329 3.202,330 4.212,331 3.169,332 6.087,333 3.757,334 2.819,335 3.878,337 8.784,338 2.644,339 3.765,340 2.675,341 5.824,342 3.545,343 2.574,344 3.156,346 7.872,347 2.497,348 3.678,349 2.461,350 5.611,351 3.262,352 2.329,353 3.083,355 7.261,356 2.124,357 3.416,358 2.316,359 5.266,360 3.155,361 2.211,362 2.471,364 6.509,365 2.081,366 2.999,367 1.881,368 4.471,369 2.473,370 1.532,371 2.236,373 4.169,374 1.442,375 2.82,376 1.696,377 4.432,378 2.44,379 1.497,380 1.948,382 3.949,383 1.404,384 2.748,385 1.533,386 4.038,387 2.346,388 1.414,389 1.829,391 3.512,392 1.279,393 2.493,394 1.349,395 3.691,396 2.195,397 1.24,398 1.491,400 2.989,401 1.181,402 2.365,403 1.136,404 3.557,405 1.956,406 1.011,407 1.344,409 2.508,410 0.954,411 2,412 1.078,413 3.247,414 1.934,415 1,416 1,417 2.136,418 0.92,419 1.373,420 0.599,421 2.841,422 0.944,423 0.109,424 0.131,425 0.241,426 0.077,427 1.163,428 0.101,429 2.736,430 0.903,431 -0.037,432 -0.042,433 -0.099,434 -0.035,435 0.961,436 -0.193,437 2.411,438 0.585,439 -0.333,440 -0.413,441 -0.773,442 -0.305,443 0.778,444 -0.291,445 2.375,446 0.35,447 -0.595,448 -0.768,449 -1.604,450 -0.539,451 11.948,452 0.478,453 0.627,454 0.025,455 32,456 1.28,457 15,458 0.6,459 17,460 0.68,461 20.969,462 0.839,463 27.052,464 0.615,465 22.583,466 0.903,467 5.977,468 0.239,469 6.154,470 0.246,471 0.121,473 0.368,478 0.908,479 1.288,480 0.645,481 0.921,482 0.94,483 0.86,484 0.763,485 1.126,486 0.694,487 0.934,488 0.553,489 0.911,490 0.802,491 1.232,492 0.807,493 1.061,494 0.659,495 0.99,496 0.891,497 0.879,498 0.907,499 0.878,500 0.74,501 0.882,502 0.941,503 1.04,504 0.689,505 0.791,506 0.731,507 0.84,508 1.019,509 1.096,510 0.85,511 0.949,512 1.029,513 1.003,514 0.719,515 1.157,516 0.845,517 1.112,518 0.797,519 1.125,520 1.043,521 0.946,522 1.022,523 1.109,524 1.298,525 1.175,526 4.5,527 0.066,528 2.889,529 1.979,530 1.673,531 0.744,532 0.7,533 0.455,534 0.185,535 0.134,536 6723,537 19008,538 2.13,539 43.2,540 2,541 9,543 1,544 4,546 2,547 1,549 1.687,550 2,551 3.171,552 1.815,553 1,554 1,558 74.508,559 1.693,560 3.998,561 4.772,562 5.187,563 5.187,564 5.187,565 2.663,566 4.164,567 4.613,568 3.291,569 987.174,570 8.013,571 11579.5,573 1,575 1,576 240.215,577 1.388,578 4.579,579 0.161,580 0.008,581 0.072,582 0.048,583 0.045,584 0.021,585 0.019,586 0.014,587 0.008,588 0.01,589 0.407,590 0.17,591 1,592 0.553,593 118.208,594 -0.093,595 -0.038,596 0.01,597 0.053,598 -0.11,599 0.055,600 0.007,601 0.035,602 0.038,603 0.031,604 0.09,605 0.029,606 0.062,607 -0.217,608 0.078,609 -0.08,610 0.153,611 -0.011,612 0.03,613 0.103,614 0.014,615 0.051,616 0.057,617 0.077,618 -0.069,619 0.012,620 0.036,621 0.099,622 0.024,623 0.087,624 -0.094,625 0.019,626 -0.088,627 -0.053,628 -0.131,629 -0.102,630 0.153,631 -0.141,632 0.003,633 -0.142,634 0.132,635 -0.153,636 0.011,638 -0.053,639 -0.142,640 -0.087,641 -0.203,642 1.659,643 3.933,644 0.84,645 20.496,646 1.01,647 1.137,648 3.386,649 11.463,650 0.674,651 3.367,652 3.714,653 4.025,654 4.331,655 4.605,656 4.71,657 4.89,658 5.056,659 5.112,660 5.112,661 5.461,662 0.645,663 358.87,664 3.367,665 4.92,666 5.79,667 6.686,668 7.579,669 8.485,670 9.39,671 10.302,672 11.214,673 12.131,674 13.6,676 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 44,718 16,719 1,720 28,722 47,723 17,724 11,725 3,726 3,728 4,729 5,730 1,735 2,736 1,738 2,740 11,741 6,742 1,756 1,757 1,760 19,761 6,762 4,763 8,764 1,769 6,775 0.75,776 1,785 1,788 1,793 1,794 3,797 1,815 1,819 3,824 1,827 25,828 1,832 1,833 5,834 1,837 1,849 1,850 2.3,852 1,858 12.5,859 7.643,860 5.417,861 2.649,863 3.051,864 1.41,865 0.994,866 4.501,867 10.489,868 3.611,869 4.259,870 4.912,871 5.567,872 6.152,873 6.549,874 7.016,875 7.48,876 7.76,877 8.022,878 1,879 41,880 9.225,881 4.016,882 7.744,883 17.672,884 14.955,885 2.244,886 56.111,890 176.567,891 64.493,892 102.919,893 39.149,894 42.683,897 64.493,898 258.399,899 102.919,901 11.386,902 79.337,903 106.404,904 22.411,905 2.328,906 164.795,907 39.149,908 176.567,909 167.411,910 42.683,911 39.149,913 141.253,914 77.997,917 44.264,918 72.913,919 89.383,921 176.567,922 145.602,923 103.641,926 176.567,927 27.445,928 38.824,929 18.011,930 164.963,931 176.567,932 145.602,933 103.641,935 0.586,936 0.349,937 0.19,938 0.11,939 21,940 9,941 0.064,942 3,943 1,944 1.095,945 3.651,946 218.75,947 0.095,948 21,949 116.096,954 16.578,955 6.788,956 3.172,957 1.413,958 143.825,959 6.492,960 13.238,964 2.068,965 1.895,966 93.591,967 425.81,968 36,980 44.447,981 50.05,983 0.31,984 0.732,985 0.874,986 0.95,987 0.95,988 0.95,989 4.86,990 1.414,991 5.784,992 3.949,993 4.394,994 4.945,995 0.278,996 6.629,997 4.287,998 6.078,999 1.24,1000 7.362,1001 3.512,1002 4.007,1003 4.856,1005 7.594,1006 3.833,1007 7.402,1008 1.011,1009 9.043,1010 2.989,1011 6.014,1012 7.23,1013 0.05,1014 10.748,1015 5.824,1016 8.767,1017 1,1018 10.786,1019 2.508,1020 6.463,1021 8.021,1023 12.592,1024 6.215,1025 10.169,1026 0.109,1027 12.569,1028 2.136,1029 7.946,1030 9.879,1031 0.008,1032 15.277,1033 7.681,1034 11.599,1035 -0.037,1036 14.382,1037 0.241,1038 8.786,1039 11.081,1041 17.496,1042 8.474,1043 13.051,1044 -0.333,1045 16.216,1046 -0.099,1047 10.066,1048 12.739,1049 0.001,1050 20.033,1051 9.733,1052 3.318,1053 -0.595,1054 18.068,1055 -0.773,1056 11.09,1057 14.13,1059 22.409,1060 10.718,1061 2.819,1062 11.965,1063 19.934,1064 -1.604,1065 12.297,1066 15.712,1068 24.902,1069 11.898,1070 2.574,1071 8.784,1072 21.811,1073 4.724,1074 13.407,1075 17.188,1077 27.341,1078 12.974,1079 2.329,1080 7.872,1081 23.699,1082 3.878,1083 14.592,1084 18.744,1086 29.823,1087 14.129,1088 2.211,1089 7.261,1090 25.595,1091 3.156,1092 15.744,1093 20.259,1095 32.287,1096 15.247,1097 1.532,1098 6.509,1099 27.499,1100 3.083,1101 16.925,1102 21.807,1104 34.767,1105 16.399,1106 1.497,1107 4.169,1108 29.408,1109 2.471,1110 18.097,1111 23.34,1113 37.241,1114 17.537,1115 6407,1116 10953,1117 18.898,1118 29.676,1119 42.373,1120 43.05,1121 43.599,1122 42.125,1123 42.108,1124 54.583,1125 0.8,1126 123.793,1127 39.612,1128 5.747,1129 5.356,1130 6.805,1131 5.356,1132 5.318,1133 7.724,1134 0.8,1135 19.353,1136 5.202,1137 10.851,1138 1.513,1139 1.537,1140 1.557,1141 1.504,1142 1.504,1143 1.949,1144 0.029,1145 4.421,1146 1.415,1147 4.135,1148 4.182,1149 4.131,1150 3.998,1151 6.471,1152 4.019,1153 3.856,1154 3.903,1155 3.947,1156 3.757,1157 5.255,1158 3.761,1159 3.807,1160 3.848,1161 3.695,1162 3.67,1163 4.891,1164 3.669,1165 3.387,1166 3.478,1167 3.364,1168 3.146,1169 4.809,1170 3.16,1171 3.152,1172 3.219,1173 3.253,1174 2.995,1175 4.517,1176 3.001,1177 3.043,1178 3.15,1179 2.937,1180 2.799,1181 4.37,1182 2.801,1183 3,1184 3.11,1185 2.86,1186 2.746,1187 4.203,1188 2.749,1189 2.931,1190 2.971,1191 2.808,1192 2.72,1193 3.71,1194 2.731,1195 0.17,1196 0.12,1197 0.25,1198 0.153,1199 0.118,1200 4.747,1201 0.169,1202 3.356,1203 0.014,1204 7.003,1205 0.427,1206 4.283,1207 0.114,1208 3.318,1209 4.724,1210 0.4,1211 11.965,1212 3.202,1213 1.925,1214 1.907,1215 2.066,1216 2.061,1217 1.436,1218 2.06,1219 1.863,1220 1.805,1221 1.977,1222 2.006,1223 1.118,1224 2.002,1225 1.738,1226 1.695,1227 1.813,1228 1.913,1229 0.986,1230 1.897,1231 1.398,1232 1.323,1233 1.62,1234 1.662,1235 0.827,1236 1.644,1237 1.122,1238 1.063,1239 1.395,1240 1.349,1241 0.602,1242 1.375,1243 1.02,1244 0.918,1245 1.289,1246 1.312,1247 0.481,1248 1.322,1249 0.906,1250 0.839,1251 1.151,1252 1.221,1253 0.209,1254 1.205,1255 0.883,1256 0.82,1257 1.147,1258 1.143,1259 0.125,1260 1.136,1261 4.043,1263 5.38,1264 2.398,1265 6.919,1266 4.844,1267 8.549,1268 7.066,1269 10.227,1272 5.92,1275 6.103,1276 9.933,1277 5.129,1278 3.42,1281 0.5,1289 28.358,1290 74.508,1291 175.897,1292 209.95,1293 228.215,1294 228.215,1295 228.215,1296 40.022,1297 7.438,1298 101.88,1299 101.88,1300 23,1301 12.643,1302 4.087,1303 3.17,1304 35.646,1305 81,1306 84,1307 0.22,1308 176.87,1309 292.04,1310 423.322,1311 15639,1312 2.3,1313 17.389,1314 0.696,1315 0.575,1316 17.889,1317 14.37,1318 12.131,1319 0.433,1320 0.31,1321 8.209,1322 11.382,1323 8.05,1324 6.628,1325 12.42,1326 8.676,1327 11.076,1328 0.277,1329 0.169,1330 11.447,1331 6.774,1332 9.628,1333 0.175,1334 0.09,1335 10.057,1336 4.928,1337 8.06,1338 0.107,1339 0.046,1340 8.212,1341 3.462,1342 6.83,1343 0.069,1344 0.025,1345 7.024,1346 2.493,1347 0.333,1348 79.219,1349 0.23,1350 23.787,1351 0.643,1352 136,1353 380.579,1354 164.114,1355 403.494,1356 549.05,1357 376,1358 163,1359 393.961,1360 189.481,1361 407.83,1362 601.57,1363 384,1364 4}
{0 CHEMBL1241859,1 1.693,2 9.12,3 2.25,4 5.062,5 98.869,6 8.156,7 0.571,8 3.916,9 4.046,10 3.555,11 3.432,12 5.036,13 3.424,14 4.449,15 4.627,16 3.948,17 3.861,18 5.511,19 3.825,20 4.735,21 4.955,22 4.054,23 3.996,24 5.781,25 3.927,26 4.777,27 5.03,28 3.914,29 3.935,30 5.77,31 3.85,32 4.666,33 4.918,34 3.851,35 3.852,36 5.669,37 3.794,38 4.592,39 4.799,40 3.907,41 3.871,42 5.697,43 3.818,44 4.632,45 4.854,46 3.873,47 3.868,48 5.741,49 3.771,50 4.59,51 4.828,52 3.7,53 3.733,54 5.651,55 3.604,56 0.108,57 0.711,58 8.408,59 3.551,60 11.911,61 4.684,62 0.229,63 1.129,64 16.42,65 6.248,66 20.441,67 8.555,68 0.392,69 1.33,70 26.88,71 8.554,72 43.658,73 12.051,74 0.488,75 1.339,76 30.265,77 8.672,78 45.853,79 12.579,80 0.452,81 1.249,82 24.087,83 6.789,84 39.052,85 10.195,86 0.398,87 1.21,88 20.512,89 6.266,90 36.371,91 9.009,92 0.431,93 1.152,94 23.114,95 7.726,96 48.446,97 11.014,98 0.44,99 0.997,100 24.797,101 7.336,102 56.363,103 10.392,104 10,105 40,106 0.293,107 0.691,108 0.81,109 0.85,110 0.85,111 0.85,112 3.268,113 0.93,114 -4.62,115 -4.54,116 -4.27,118 38.6,120 2,121 1,124 3,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 6,172 1,173 1,175 4,178 5,180 1,181 1,182 6,186 4,188 5,191 2,192 8,194 3,195 3,197 2,199 3,201 1,204 7,206 2,208 3,211 3,213 2,215 4,218 2,220 2,223 5,225 2,228 3,231 3,232 1,233 3,234 1,235 5,237 2,240 2,245 3,247 2,249 1,255 1,256 1,257 4,259 1,260 1,264 865,265 16.999,266 16.999,267 16.999,268 16.999,269 16.999,270 15.039,271 16.752,272 9.976,273 17.458,274 13.827,275 13.827,276 13.827,277 13.827,278 13.827,279 10.889,280 13.708,281 4.758,282 14.646,283 3.766,284 1.462,285 0.779,286 0.545,287 0.545,288 0.545,289 3.966,290 1,292 1,293 1,294 1,295 498,296 2.345,299 48.484,300 201.759,303 93.016,307 1.344,308 25.952,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 54.333,320 228,321 4.747,322 3.356,323 7.003,324 4.283,325 3.318,326 4.724,327 0.4,328 11.965,329 3.203,330 4.212,331 3.169,332 6.087,333 3.758,334 2.819,335 3.878,337 8.784,338 2.645,339 3.765,340 2.665,341 5.824,342 3.548,343 2.574,344 3.156,346 7.872,347 2.505,348 3.678,349 2.46,350 5.611,351 3.262,352 2.329,353 3.083,355 7.261,356 2.124,357 3.416,358 2.309,359 5.266,360 3.155,361 2.211,362 2.471,364 6.509,365 2.082,366 2.999,367 1.882,368 4.471,369 2.46,370 1.532,371 2.236,373 4.169,374 1.419,375 2.82,376 1.751,377 4.432,378 2.435,379 1.497,380 1.948,382 3.949,383 1.4,384 2.748,385 1.534,386 4.038,387 2.346,388 1.414,389 1.829,391 3.512,392 1.279,393 2.493,394 1.365,395 3.691,396 2.186,397 1.24,398 1.491,400 2.989,401 1.169,402 2.365,403 1.078,404 3.557,405 1.984,406 1.011,407 1.344,409 2.508,410 0.983,411 2,412 1.077,413 3.247,414 1.934,415 1,416 1,417 2.136,418 0.92,419 1.373,420 0.599,421 2.841,422 0.944,423 0.109,424 0.131,425 0.241,426 0.077,427 1.163,428 0.093,429 2.736,430 0.903,431 -0.037,432 -0.042,433 -0.099,434 -0.035,435 0.961,436 -0.201,437 2.411,438 0.586,439 -0.333,440 -0.413,441 -0.773,442 -0.305,443 0.778,444 -0.294,445 2.375,446 0.35,447 -0.595,448 -0.768,449 -1.604,450 -0.539,451 11.948,452 0.478,453 0.627,454 0.025,455 32,456 1.28,457 15,458 0.6,459 17,460 0.68,461 21.007,462 0.84,463 27.052,464 0.615,465 22.546,466 0.902,467 5.986,468 0.239,469 6.145,470 0.246,471 0.121,473 0.368,478 0.908,479 1.288,480 0.645,481 0.921,482 0.94,483 0.86,484 0.763,485 1.126,486 0.694,487 0.934,488 0.551,489 0.911,490 0.811,491 1.19,492 0.811,493 1.038,494 0.665,495 0.977,496 0.854,497 0.985,498 0.906,499 0.957,500 0.721,501 0.938,502 0.971,503 0.938,504 0.682,505 0.708,506 0.738,507 0.778,508 1.017,509 1.091,510 0.871,511 0.974,512 1.054,513 1.035,514 0.685,515 1.097,516 0.847,517 1.107,518 0.781,519 1.131,520 1.036,521 1.076,522 1.014,523 1.172,524 1.309,525 1.208,526 4.5,527 0.066,528 2.889,529 1.979,530 1.673,531 0.744,532 0.7,533 0.455,534 0.185,535 0.134,536 6723,537 19164,538 2.13,539 43.2,541 9,543 1,544 4,546 5,549 1.687,550 2,551 3.171,552 1.815,553 1,554 1,558 74.508,559 1.693,560 3.998,561 4.681,562 4.914,563 4.914,564 4.914,565 2.663,566 4.164,567 4.613,568 3.291,569 987.174,570 8.013,571 11579.5,573 1,575 1,576 240.215,577 1.388,578 4.579,579 0.161,580 0.008,581 0.072,582 0.048,583 0.045,584 0.021,585 0.019,586 0.014,587 0.008,588 0.01,589 0.407,590 0.17,591 1,592 0.553,593 118.208,594 -0.093,595 -0.038,596 0.01,597 0.053,598 -0.11,599 0.055,600 0.007,601 0.035,602 0.038,603 0.031,604 0.092,605 0.029,606 0.052,607 -0.174,608 0.074,609 -0.056,610 0.148,611 0.003,612 0.033,613 -0.005,614 0.007,615 -0.013,616 0.067,617 0.032,618 -0.086,619 0.099,620 0.054,621 0.176,622 0.012,623 0.15,624 -0.104,625 0.037,626 -0.117,627 -0.071,628 -0.15,629 -0.133,630 0.182,631 -0.081,632 -0.002,633 -0.136,634 0.14,635 -0.158,636 -0.021,637 -0.139,638 -0.05,639 -0.188,640 -0.113,641 -0.222,642 1.657,643 3.935,644 0.84,645 20.496,646 1.01,647 1.137,648 3.386,649 11.463,650 0.674,651 3.367,652 3.714,653 4.025,654 4.331,655 4.605,656 4.71,657 4.89,658 5.056,659 5.112,660 5.112,661 5.461,662 0.645,663 358.87,664 3.367,665 4.92,666 5.79,667 6.686,668 7.579,669 8.485,670 9.39,671 10.302,672 11.214,673 12.131,674 13.6,676 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 44,718 16,719 1,720 28,722 47,723 17,724 11,725 3,726 3,728 4,729 5,730 1,735 2,736 1,738 2,740 11,741 6,742 1,756 1,757 1,760 19,761 6,762 4,763 8,764 1,769 6,775 0.75,776 1,785 1,788 1,793 1,794 3,797 1,815 1,819 3,824 1,827 25,828 1,832 1,833 5,834 1,837 1,849 1,850 2.3,852 1,858 12.5,859 7.643,860 5.417,861 2.649,863 3.051,864 1.41,865 0.994,866 4.501,867 10.489,868 3.611,869 4.259,870 4.912,871 5.567,872 6.152,873 6.549,874 7.016,875 7.48,876 7.76,877 8.022,878 1,879 41,880 9.224,881 4.015,882 7.744,883 17.672,884 14.955,885 2.244,886 56.111,890 176.567,891 64.493,892 102.919,893 39.149,894 42.683,897 64.493,898 258.399,899 102.919,901 11.386,902 79.337,903 106.404,904 22.411,905 2.328,906 164.795,907 39.149,908 176.567,909 167.411,910 42.683,911 39.149,913 117.711,914 101.539,917 44.264,918 72.913,919 89.383,921 176.567,922 145.602,923 103.641,926 176.567,927 27.445,928 38.824,929 18.011,930 164.963,931 176.567,932 145.602,933 103.641,935 0.586,936 0.349,937 0.19,938 0.11,939 21,940 9,941 0.064,942 3,943 1,944 1.095,945 3.651,946 218.75,947 0.095,948 21,949 112.096,954 16.578,955 6.788,956 3.172,957 1.425,958 143.825,959 6.502,960 13.252,964 2.083,965 1.907,966 93.591,967 425.81,968 36,980 44.447,981 50.05,983 0.31,984 0.732,985 0.857,986 0.9,987 0.9,988 0.9,989 4.86,990 1.414,991 5.784,992 3.949,993 4.394,994 4.945,995 0.278,996 6.629,997 4.287,998 6.078,999 1.24,1000 7.362,1001 3.512,1002 4.007,1003 4.856,1005 7.594,1006 3.833,1007 7.402,1008 1.011,1009 9.043,1010 2.989,1011 6.014,1012 7.23,1013 0.05,1014 10.748,1015 5.825,1016 8.767,1017 1,1018 10.786,1019 2.508,1020 6.463,1021 8.021,1023 12.592,1024 6.217,1025 10.169,1026 0.109,1027 12.569,1028 2.136,1029 7.946,1030 9.879,1031 0.008,1032 15.277,1033 7.684,1034 11.599,1035 -0.037,1036 14.382,1037 0.241,1038 8.786,1039 11.081,1041 17.496,1042 8.477,1043 13.051,1044 -0.333,1045 16.216,1046 -0.099,1047 10.066,1048 12.739,1049 0.001,1050 20.033,1051 9.735,1052 3.318,1053 -0.595,1054 18.068,1055 -0.773,1056 11.09,1057 14.13,1059 22.409,1060 10.72,1061 2.819,1062 11.965,1063 19.934,1064 -1.604,1065 12.297,1066 15.712,1068 24.902,1069 11.901,1070 2.574,1071 8.784,1072 21.811,1073 4.724,1074 13.407,1075 17.188,1077 27.341,1078 12.976,1079 2.329,1080 7.872,1081 23.699,1082 3.878,1083 14.592,1084 18.744,1086 29.823,1087 14.132,1088 2.211,1089 7.261,1090 25.595,1091 3.156,1092 15.744,1093 20.259,1095 32.287,1096 15.249,1097 1.532,1098 6.509,1099 27.499,1100 3.083,1101 16.925,1102 21.807,1104 34.767,1105 16.4,1106 1.497,1107 4.169,1108 29.408,1109 2.471,1110 18.097,1111 23.34,1113 37.241,1114 17.539,1115 6407,1116 10991,1117 18.898,1118 29.676,1119 42.373,1120 43.045,1121 43.599,1122 42.132,1123 42.108,1124 54.583,1125 0.8,1126 123.793,1127 39.608,1128 5.747,1129 5.356,1130 6.805,1131 5.356,1132 5.318,1133 7.724,1134 0.8,1135 19.353,1136 5.203,1137 10.851,1138 1.513,1139 1.537,1140 1.557,1141 1.505,1142 1.504,1143 1.949,1144 0.029,1145 4.421,1146 1.415,1147 4.135,1148 4.182,1149 4.131,1150 3.998,1151 6.471,1152 4.019,1153 3.856,1154 3.903,1155 3.947,1156 3.759,1157 5.255,1158 3.762,1159 3.807,1160 3.848,1161 3.696,1162 3.671,1163 4.891,1164 3.67,1165 3.376,1166 3.471,1167 3.364,1168 3.098,1169 4.808,1170 3.132,1171 3.126,1172 3.206,1173 3.247,1174 2.967,1175 4.517,1176 2.97,1177 3.111,1178 3.191,1179 2.917,1180 2.941,1181 4.37,1182 2.91,1183 2.991,1184 3.106,1185 2.866,1186 2.746,1187 4.205,1188 2.749,1189 2.93,1190 2.971,1191 2.845,1192 2.684,1193 3.727,1194 2.712,1195 0.17,1196 0.12,1197 0.25,1198 0.153,1199 0.118,1200 4.747,1201 0.169,1202 3.356,1203 0.014,1204 7.003,1205 0.427,1206 4.283,1207 0.114,1208 3.318,1209 4.724,1210 0.4,1211 11.965,1212 3.203,1213 1.925,1214 1.907,1215 2.067,1216 2.061,1217 1.442,1218 2.061,1219 1.865,1220 1.808,1221 1.977,1222 2.006,1223 1.118,1224 2.002,1225 1.737,1226 1.695,1227 1.809,1228 1.913,1229 0.924,1230 1.895,1231 1.37,1232 1.292,1233 1.567,1234 1.656,1235 0.825,1236 1.63,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.755,1242 1.429,1243 1.067,1244 1.011,1245 1.236,1246 1.307,1247 0.36,1248 1.302,1249 0.883,1250 0.839,1251 1.15,1252 1.22,1253 0.2,1254 1.203,1255 0.873,1256 0.777,1257 1.12,1258 1.136,1259 0.123,1260 1.131,1261 4.043,1263 5.38,1264 2.398,1265 6.919,1266 4.844,1267 8.549,1268 7.066,1269 10.227,1272 5.921,1275 6.106,1276 9.935,1277 5.06,1278 3.374,1281 0.548,1289 28.358,1290 74.508,1291 175.897,1292 205.95,1293 216.215,1294 216.215,1295 216.215,1296 39.908,1297 7.438,1298 101.88,1299 101.88,1300 23,1301 12.643,1302 4.087,1303 3.17,1304 35.646,1305 81,1306 84,1307 0.22,1308 176.87,1309 292.04,1310 423.322,1311 15639,1312 2.3,1313 17.389,1314 0.696,1315 0.575,1316 17.889,1317 14.37,1318 12.131,1319 0.433,1320 0.31,1321 8.209,1322 11.378,1323 8.052,1324 6.622,1325 12.42,1326 8.676,1327 11.076,1328 0.277,1329 0.169,1330 11.447,1331 6.755,1332 9.628,1333 0.175,1334 0.091,1335 10.057,1336 4.988,1337 8.06,1338 0.107,1339 0.046,1340 8.212,1341 3.446,1342 6.83,1343 0.069,1344 0.025,1345 7.024,1346 2.499,1347 0.333,1348 79.219,1349 0.23,1350 23.787,1351 0.643,1352 136,1353 380.579,1354 164.114,1355 403.408,1356 549.01,1357 376,1358 163,1359 393.961,1360 189.314,1361 407.612,1362 601.17,1363 384,1364 5.138}
{0 CHEMBL1241860,1 1.739,2 8,3 2.391,4 5.717,5 83.37,6 8.315,7 0.667,8 3.711,9 3.836,10 3.361,11 3.227,12 4.978,13 3.241,14 4.201,15 4.374,16 3.745,17 3.598,18 5.425,19 3.606,20 4.407,21 4.596,22 3.858,23 3.711,24 5.68,25 3.721,26 4.523,27 4.738,28 3.851,29 3.714,30 5.929,31 3.707,32 4.414,33 4.627,34 3.628,35 3.647,36 5.608,37 3.607,38 4.312,39 4.504,40 3.586,41 3.584,42 5.55,43 3.539,44 4.432,45 4.696,46 3.368,47 3.471,48 5.726,49 3.367,50 4.229,51 4.538,52 2.997,53 3.1,54 5.366,55 2.981,56 0.107,57 0.652,58 5.915,59 2.881,60 9.061,61 3.468,62 0.254,63 1.009,64 11.753,65 4.737,66 29.764,67 6.005,68 0.33,69 1.224,70 15.132,71 5.386,72 28.859,73 6.831,74 0.623,75 1.251,76 19,77 6.087,78 83.533,79 7.813,80 0.449,81 1.108,82 16.379,83 5.254,84 52.402,85 6.915,86 0.289,87 1.069,88 13.286,89 5.147,90 26.865,91 6.756,92 0.573,93 1.037,94 19.257,95 5.753,96 75.221,97 8.338,98 0.429,99 0.764,100 19.092,101 5.882,102 52.725,103 8.242,104 30,105 35,106 0.313,107 0.711,108 0.799,109 0.823,110 0.833,111 0.833,112 3.148,113 0.845,114 -4.69,115 -4.61,116 -4.33,118 41.7,119 2,126 1,138 3,139 3,140 1,142 1,143 1,144 1,150 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 8,172 1,173 1,175 1,178 6,180 1,181 1,182 6,188 4,191 2,192 9,194 3,195 3,197 1,199 3,201 1,204 7,208 2,211 3,213 2,215 5,220 3,223 4,225 3,227 1,228 3,233 1,235 2,237 1,239 1,247 2,251 2,254 1,255 1,264 614,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.71,271 11.76,272 8.336,273 14.94,274 11.738,275 11.738,276 11.738,277 11.738,278 11.738,279 8.692,280 8.688,281 3.803,282 12.224,283 3.431,284 1.223,285 0.73,286 0.597,287 0.542,288 0.542,289 3.822,292 1,293 1,294 1,295 371,296 2.828,299 43.076,300 115.366,303 82.187,307 1.182,308 30.526,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 49,320 176,321 4.76,322 3.384,323 7.039,324 4.302,325 3.338,326 4.732,328 12.087,329 3.218,330 4.249,331 3.213,332 6.197,333 3.83,334 2.858,335 3.917,337 9.078,338 2.773,339 3.823,340 2.735,341 6.004,342 3.499,343 2.542,344 3.222,346 8.342,347 2.43,348 3.707,349 2.639,350 5.697,351 3.31,352 2.344,353 3.121,355 7.397,356 2.261,357 3.04,358 2.395,359 4.82,360 2.684,361 1.743,362 2.273,364 4.818,365 1.637,366 3.001,367 1.822,368 4.502,369 2.501,370 1.542,371 2.13,373 4.244,374 1.467,375 2.88,376 1.621,377 4.148,378 2.408,379 1.461,380 2.011,382 3.648,383 1.368,384 2.554,385 1.451,386 3.86,387 2.028,388 1.077,389 1.562,391 2.764,392 1.021,393 2.289,394 1.054,395 3.493,396 1.82,397 0.836,398 1.077,400 2.067,401 0.817,402 2.106,403 0.843,404 2.952,405 1.613,406 0.56,407 0.853,409 0.985,410 0.581,411 1.184,412 0.4,413 2.597,414 0.728,415 -0.257,416 -0.345,417 -0.474,418 -0.244,419 1.056,420 -0.143,421 2.423,422 0.608,423 -0.311,424 -0.417,425 -0.695,426 -0.284,427 0.778,428 -0.422,429 2.265,430 0.332,431 -0.611,432 -0.815,433 -1.676,434 -0.575,435 0.604,436 -0.78,437 2.233,438 0.099,439 -0.846,440 -1,441 -2,442 -0.793,443 0.201,444 -1,445 2,447 -1,448 -1.147,449 -2.339,450 -1,451 10.119,452 0.46,453 0.648,454 0.029,455 30.5,456 1.386,457 16,458 0.727,459 14.5,460 0.659,461 15.75,462 0.716,463 23.481,464 0.652,465 22.327,466 1.015,467 6.068,468 0.276,469 4.456,470 0.203,471 0.2,473 0.435,477 1,478 0.637,479 1.112,480 0.675,481 1.02,482 0.609,483 0.886,484 0.676,485 1.006,486 0.636,487 0.882,488 0.594,489 0.776,490 0.966,491 1.226,492 0.838,493 1.006,494 0.764,495 0.898,496 0.939,497 0.96,498 0.938,499 0.9,500 0.847,501 0.906,502 0.991,503 0.923,504 1.157,505 0.974,506 0.818,507 1.063,508 0.76,509 1.248,510 1.115,511 1.369,512 0.714,513 1.341,514 0.719,515 0.799,516 1.13,517 1.076,518 0.759,519 1.179,520 1.007,521 1.021,522 0.799,523 0.944,524 1.114,525 0.861,526 4.5,527 0.012,528 3.111,529 2.167,530 1.847,531 0.889,532 0.566,533 0.386,534 0.204,535 0.066,536 4197,537 14123,538 2.017,539 38.9,541 4,543 2,544 2,546 6,549 1.652,550 1.833,551 2.976,552 0.393,553 1,554 1,556 1,558 62.601,559 1.739,560 3.947,561 4.44,562 4.572,563 4.628,564 4.628,565 2.461,566 4.278,567 4.429,568 3.1,569 716.165,570 7.646,571 7561.51,572 1,573 1,575 1,576 186.117,577 1.544,578 4.36,579 0.188,580 0.004,581 0.089,582 0.057,583 0.051,584 0.031,585 0.021,586 0.02,587 0.016,588 0.009,589 0.486,590 0.5,591 1,592 1.003,593 98.516,594 -0.032,595 -0.064,596 0.029,597 -0.013,598 -0.073,599 0.017,600 0.029,601 -0.019,602 0.184,603 0.102,604 0.021,605 0.162,606 -0.112,607 -0.178,608 0.033,609 -0.048,610 -0.02,611 0.022,612 0.064,613 0.062,614 0.017,615 0.034,616 0.105,617 0.018,618 -0.163,619 0.031,620 -0.251,621 -0.038,622 -0.081,623 -0.132,624 -0.033,625 -0.253,626 -0.263,627 -0.397,628 -0.053,629 -0.396,630 0.156,631 0.096,632 -0.097,633 -0.129,634 0.079,635 -0.17,636 0.113,637 -0.128,638 0.417,639 0.106,640 0.068,641 0.293,642 2.268,643 5.874,644 0.682,645 15.355,646 1.021,647 1.142,648 3.463,649 11.99,650 0.673,651 3.219,652 3.584,653 3.912,654 4.22,655 4.466,656 4.605,657 4.682,658 4.771,659 4.754,660 4.673,661 4.839,662 0.662,663 299.34,664 3.219,665 4.779,666 5.659,667 6.569,668 7.475,669 8.393,670 9.308,671 10.23,672 11.148,673 12.072,674 13.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,698 1,708 1,715 1,716 36,718 17,719 1,720 24,722 38,723 15,724 11,725 3,726 3,727 1,728 3,729 4,732 2,738 1,740 12,741 3,744 1,749 1,751 1,756 1,757 1,758 1,760 14,761 6,762 2,763 7,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,825 1,827 22,828 1,837 1,849 1,850 2.8,853 1,858 12,859 7.193,860 4.861,861 2.122,863 3.244,864 1.466,865 0.989,866 3.532,867 10.205,868 3.526,869 4.201,870 4.904,871 5.578,872 6.152,873 6.574,874 7.012,875 7.454,876 7.739,877 8.024,878 1,879 38,880 8.111,881 3.524,882 8.091,883 14.909,884 12.118,885 2.591,886 57,890 141.253,891 90.987,892 84.908,894 25.145,895 14.96,897 90.987,898 166.398,899 99.868,900 17.65,902 61.326,903 112.061,904 31.217,905 17.288,906 117.711,908 141.253,909 175.895,910 40.105,913 85.587,914 95.772,917 32.518,918 81.719,919 61.658,921 156.213,922 110.053,923 90.987,926 141.253,927 24.865,928 67.898,930 123.236,931 141.253,932 125.013,933 90.987,935 0.59,936 0.363,937 0.201,938 0.111,939 18,940 9,941 0.079,942 3,943 1,944 1.133,945 3.238,946 180.985,947 0.133,948 15,949 96.107,954 14.456,955 5.375,956 2.343,957 1.173,958 123.236,959 5.685,960 12.706,964 0.703,965 1.717,966 32.897,967 357.253,968 33,973 10.735,975 0.474,980 36.767,981 41.117,983 0.336,984 0.764,985 0.859,986 0.884,987 0.895,988 0.895,989 4.771,990 1.077,991 5.68,992 3.648,993 4.263,994 4.887,996 6.567,997 4.185,998 6.021,999 0.836,1000 7.292,1001 2.764,1002 4.007,1003 4.856,1005 7.633,1006 3.883,1007 7.36,1008 0.56,1009 9.006,1010 2.067,1011 5.927,1012 7.224,1014 10.773,1015 5.78,1016 8.743,1017 -0.257,1018 10.777,1019 0.985,1020 6.479,1021 8.043,1023 12.67,1024 6.288,1025 10.16,1026 -0.311,1027 12.584,1028 -0.474,1029 7.912,1030 9.898,1032 15.354,1033 7.696,1034 11.603,1035 -0.611,1036 14.417,1037 -0.695,1038 8.817,1039 11.11,1041 17.595,1042 8.56,1043 13.066,1044 -0.846,1045 16.269,1046 -1.676,1047 10.077,1048 12.767,1050 20.136,1051 9.791,1052 3.338,1053 -1,1054 18.135,1055 -2,1056 11.139,1057 14.161,1059 22.522,1060 10.814,1061 2.858,1062 12.087,1063 20.014,1064 -2.339,1065 12.341,1066 15.743,1068 25.02,1069 11.984,1070 2.542,1071 9.078,1072 21.901,1073 4.732,1074 13.473,1075 17.221,1077 27.467,1078 13.077,1079 2.344,1080 8.342,1081 23.798,1082 3.917,1083 14.661,1084 18.776,1086 29.956,1087 14.23,1088 1.743,1089 7.397,1090 25.701,1091 3.222,1092 15.825,1093 20.292,1095 32.428,1096 15.356,1097 1.542,1098 4.818,1099 27.61,1100 3.121,1101 17.012,1102 21.84,1104 34.916,1105 16.507,1106 1.461,1107 4.244,1108 29.524,1109 2.273,1110 18.192,1111 23.374,1113 37.398,1114 17.651,1115 4232,1116 7878,1117 15.433,1118 24.228,1119 37.319,1120 38.795,1121 39.09,1122 36.741,1123 36.603,1124 49.797,1126 110.861,1127 35.146,1128 5.431,1129 5.384,1130 6.58,1131 5.374,1132 5.338,1133 7.732,1135 19.553,1136 5.218,1137 12.755,1138 1.555,1139 1.616,1140 1.629,1141 1.531,1142 1.525,1143 2.075,1145 4.619,1146 1.464,1147 4.134,1148 4.181,1149 4.118,1150 3.999,1151 8.201,1152 4.021,1153 3.871,1154 3.898,1155 3.835,1156 3.76,1157 7.452,1158 3.776,1159 3.577,1160 3.654,1161 3.445,1162 3.407,1163 5.255,1164 3.4,1165 3.288,1166 3.335,1167 3.223,1168 3.091,1169 4.873,1170 3.119,1171 3.091,1172 3.167,1173 2.985,1174 2.805,1175 4.603,1176 2.843,1177 2.976,1178 3.068,1179 2.865,1180 2.733,1181 4.435,1182 2.734,1183 2.897,1184 3.009,1185 2.807,1186 2.671,1187 4.062,1188 2.707,1189 2.874,1190 2.956,1191 2.499,1192 2.618,1193 3.701,1194 2.57,1195 0.198,1196 0.141,1197 0.293,1198 0.179,1199 0.139,1200 4.76,1201 0.197,1202 3.384,1204 7.039,1205 0.504,1206 4.302,1207 0.134,1208 3.338,1209 4.732,1211 12.087,1212 3.218,1213 1.94,1214 1.921,1215 2.005,1216 2.041,1217 1.155,1218 2.025,1219 1.802,1220 1.755,1221 1.946,1222 1.992,1223 1.12,1224 1.976,1225 1.617,1226 1.554,1227 1.776,1228 1.817,1229 0.841,1230 1.816,1231 1.226,1232 1.188,1233 1.417,1234 1.458,1235 0.469,1236 1.428,1237 0.967,1238 0.894,1239 1.349,1240 1.316,1241 0.339,1242 1.308,1243 0.934,1244 0.804,1245 1.203,1246 1.239,1247 0.141,1248 1.291,1249 0.86,1250 0.804,1251 1.115,1252 1.151,1253 0.061,1254 1.123,1255 0.791,1256 0.725,1257 1.007,1258 1.068,1259 0.018,1260 1.077,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.447,1268 7.081,1269 10.147,1271 3.926,1273 13.874,1275 5.948,1281 0.06,1289 23.839,1290 62.601,1291 142.101,1292 159.853,1293 164.608,1294 166.608,1295 166.608,1296 43.73,1297 6.961,1298 86.69,1299 86.69,1300 17,1301 12.579,1302 4.17,1303 3.322,1304 34.208,1305 62,1306 74,1307 0.278,1308 148.222,1309 247.02,1310 353.422,1311 8101,1312 2.8,1313 15.853,1314 0.721,1315 0.551,1316 14.983,1317 12.117,1318 10.524,1319 0.439,1320 0.282,1321 6.644,1322 10.005,1323 6.449,1324 5.383,1325 10.113,1326 6.764,1327 9.676,1328 0.276,1329 0.149,1330 9.146,1331 5.199,1332 8.311,1333 0.17,1334 0.07,1335 7.868,1336 3.408,1337 7.137,1338 0.107,1339 0.035,1340 6.666,1341 2.328,1342 5.65,1343 0.066,1344 0.018,1345 5.483,1346 1.579,1347 0.415,1348 66.86,1349 0.255,1350 21.024,1351 0.832,1352 118,1353 427.739,1354 132.706,1355 389.721,1356 525.62,1357 362,1358 143,1359 388.354,1360 158.451,1361 387.137,1362 569.14,1363 363,1364 4.824}
{0 CHEMBL1241861,1 1.828,2 8,3 2.597,4 6.742,5 83.587,6 8.815,7 0.64,8 3.723,9 3.844,10 3.411,11 3.225,12 5.046,13 3.256,14 4.217,15 4.383,16 3.813,17 3.594,18 5.524,19 3.627,20 4.432,21 4.61,22 3.951,23 3.706,24 5.801,25 3.751,26 4.555,27 4.755,28 3.999,29 3.71,30 6.237,31 3.74,32 4.433,33 4.638,34 3.714,35 3.644,36 5.738,37 3.628,38 4.333,39 4.516,40 3.709,41 3.58,42 5.672,43 3.569,44 4.458,45 4.711,46 3.577,47 3.465,48 5.949,49 3.41,50 4.272,51 4.562,52 3.214,53 3.088,54 5.616,55 3.052,56 0.167,57 0.724,58 5.102,59 2.91,60 18.377,61 3.196,62 0.362,63 1.128,64 10.945,65 4.782,66 46.15,67 5.607,68 0.516,69 1.396,70 14.284,71 5.461,72 60.229,73 6.13,74 1.014,75 1.492,76 18.567,77 6.171,78 158.258,79 7.254,80 0.635,81 1.2,82 15.607,83 5.287,84 79.004,85 6.411,86 0.45,87 1.202,88 12.159,89 5.188,90 48.649,91 6.297,92 0.796,93 1.167,94 19.094,95 5.763,96 106.812,97 8.075,98 0.704,99 0.924,100 20.412,101 5.966,102 98.327,103 7.597,104 41,105 37,106 0.329,107 0.722,108 0.793,109 0.793,110 0.793,111 0.793,112 3.19,113 0.824,114 -4.82,115 -4.73,116 -4.44,118 41.7,119 2,126 1,138 2,139 3,140 2,142 1,143 1,144 1,150 1,156 1,158 1,159 1,160 1,161 1,167 2,170 2,171 8,172 1,173 1,175 1,178 5,180 1,181 1,182 5,188 3,191 2,192 8,194 3,195 3,197 1,199 2,201 1,204 6,208 2,211 3,213 2,215 3,220 2,223 4,225 2,227 1,228 3,233 1,237 1,239 1,247 2,251 2,254 1,255 1,264 680,265 15.146,266 15.146,267 15.146,268 15.146,269 15.146,270 13.157,271 13.387,272 8.545,273 15.491,274 12.222,275 12.222,276 12.222,277 12.222,278 12.222,279 9.088,280 10.537,281 3.887,282 12.811,283 3.342,284 1.157,285 0.764,286 0.764,287 0.764,288 0.764,289 3.861,292 1,293 1,294 1,295 386,296 2.915,299 45.418,300 122.25,303 86.69,307 1.13,308 41.671,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 52.5,320 184,321 4.764,322 3.437,323 7.041,324 4.307,325 3.343,326 4.734,328 12.095,329 3.224,330 4.385,331 3.323,332 6.435,333 3.961,334 2.998,335 4.092,337 9.832,338 2.877,339 3.831,340 2.741,341 6.112,342 3.51,343 2.553,344 3.231,346 8.633,347 2.44,348 3.718,349 2.643,350 5.727,351 3.32,352 2.356,353 3.138,355 7.478,356 2.268,357 3.232,358 2.592,359 4.879,360 2.787,361 1.879,362 2.481,364 5.225,365 1.678,366 3.04,367 2.373,368 4.82,369 2.684,370 1.743,371 2.273,373 4.819,374 1.637,375 3.001,376 1.819,377 4.533,378 2.488,379 1.535,380 2.129,382 4.275,383 1.457,384 2.598,385 1.494,386 3.88,387 2.077,388 1.115,389 1.591,391 2.8,392 1.06,393 2.386,394 1.054,395 3.554,396 1.896,397 0.902,398 1.195,400 2.153,401 0.884,402 2.11,403 0.876,404 3.326,405 1.697,406 0.718,407 0.968,409 1.534,410 0.693,411 1.267,412 0.818,413 2.653,414 0.786,415 -0.231,416 -0.329,417 -0.383,418 -0.227,419 1.057,420 0.159,421 2.585,422 0.611,423 -0.304,424 -0.405,425 -0.689,426 -0.279,427 1,428 -0.148,429 2.42,430 0.557,431 -0.347,432 -0.445,433 -0.898,434 -0.303,435 0.672,436 -0.526,437 2.254,438 0.195,439 -0.729,440 -0.946,441 -2,442 -0.664,443 0.307,444 -0.794,445 2.115,447 -0.949,448 -1,449 -2.052,450 -0.855,451 10.405,452 0.452,453 0.737,454 0.032,455 31.25,456 1.359,457 16,458 0.696,459 15.25,460 0.663,461 17.151,462 0.746,463 24.995,464 0.694,465 24.267,466 1.055,467 6.287,468 0.273,469 4.648,470 0.202,471 0.222,473 0.471,477 2,478 0.611,479 1.042,480 0.624,481 1.018,482 0.585,483 0.874,484 0.669,485 0.987,486 0.581,487 0.885,488 0.596,489 0.748,490 1.013,491 1.237,492 0.824,493 1.012,494 0.871,495 0.871,496 0.773,497 0.932,498 0.847,499 0.9,500 0.669,501 0.89,502 0.9,503 0.863,504 1.13,505 0.97,506 0.789,507 1.079,508 0.725,509 1.179,510 1.018,511 1.367,512 0.751,513 1.329,514 0.633,515 0.76,516 1.005,517 1.075,518 0.707,519 1.166,520 1.292,521 1.18,522 0.913,523 0.953,524 1.333,525 0.843,526 5,527 0.012,528 3.333,529 2.604,530 2.038,531 0.889,532 0.744,533 0.471,534 0.224,535 0.066,536 4612,537 17286,538 1.991,539 36.1,541 3,543 2,544 2,546 6,549 1.665,550 1.792,551 2.975,552 0.407,553 1,554 1,556 1,558 65.799,559 1.828,560 4.013,561 4.406,562 4.406,563 4.406,564 4.406,565 2.442,566 4.056,567 4.496,568 3.103,569 785.079,570 7.782,571 8552.58,572 1,573 1,575 1,576 186.117,577 1.55,578 4.413,579 0.2,580 0.004,581 0.09,582 0.064,583 0.051,584 0.029,585 0.025,586 0.02,587 0.014,588 0.009,589 0.506,590 0.33,591 1,592 1.009,593 104.428,594 -0.044,595 -0.068,596 0.018,597 -0.013,598 -0.066,599 0.019,601 -0.063,602 0.203,603 0.096,604 0.017,605 0.191,606 -0.154,607 -0.208,608 0.023,609 -0.051,610 -0.078,611 0.038,612 0.227,613 0.086,614 0.1,615 0.036,616 0.301,617 0.028,618 -0.113,619 0.041,620 -0.243,621 -0.036,622 -0.061,623 -0.142,624 0.014,625 -0.219,626 -0.186,627 -0.396,628 -0.061,629 -0.386,630 0.259,631 0.119,632 0.051,633 -0.13,634 0.152,635 -0.139,636 -0.031,637 -0.185,638 0.38,639 0.099,640 -0.027,641 0.323,642 2.627,643 5.895,644 0.652,645 16.106,646 1.036,647 1.152,648 3.587,649 12.863,650 0.671,651 3.258,652 3.638,653 3.97,654 4.29,655 4.511,656 4.673,657 4.762,658 4.868,659 4.852,660 4.787,661 4.892,662 0.673,663 317.33,664 3.258,665 4.828,666 5.714,667 6.632,668 7.54,669 8.465,670 9.381,671 10.309,672 11.228,673 12.157,674 13.9,678 1,682 1,684 3,689 2,690 3,691 3,695 6,696 1,697 16,698 1,708 1,715 2,716 36,718 17,719 1,720 25,722 38,723 15,724 11,725 4,726 2,727 1,728 3,729 4,732 2,738 1,740 12,741 3,744 1,749 1,751 1,756 1,757 1,758 2,760 13,761 7,762 2,763 8,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,825 2,827 23,828 1,837 1,849 2,850 2.8,853 1,858 12.833,859 7.252,860 5.056,861 2.109,863 3.247,864 1.46,865 0.99,866 3.726,867 10.3,868 3.555,869 4.245,870 4.948,871 5.63,872 6.187,873 6.629,874 7.068,875 7.523,876 7.813,877 8.114,878 1,879 41,880 8.558,881 3.838,882 8.312,883 15.33,884 12.492,885 2.812,886 64.667,890 129.482,891 90.632,892 84.908,894 25.145,895 29.92,897 90.632,898 154.627,899 114.828,900 17.65,902 51.85,903 112.061,904 40.338,905 32.248,906 105.94,908 129.482,909 175.54,910 55.065,913 88.776,914 95.772,917 32.518,918 81.364,919 61.658,921 159.402,922 110.053,923 90.632,926 129.482,927 33.986,928 58.422,930 138.196,931 129.482,932 139.973,933 90.632,935 0.594,936 0.368,937 0.208,938 0.109,939 19,940 10,941 0.079,942 3,943 1,944 1.133,945 3.269,946 194.362,947 0.133,948 15,949 96.042,954 15.354,955 5.581,956 2.423,957 0.89,958 138.196,959 3.399,960 12.438,964 -1.948,965 1.603,966 32.897,967 360.087,968 34,973 10.716,975 0.136,980 37.28,981 41.456,983 0.354,984 0.776,985 0.852,986 0.852,987 0.852,988 0.852,989 4.812,990 1.115,991 5.746,992 4.275,993 4.317,994 4.931,996 6.648,997 4.227,998 6.073,999 0.902,1000 7.37,1001 2.8,1002 4.111,1003 4.956,1005 7.732,1006 3.966,1007 7.421,1008 0.718,1009 9.093,1010 2.153,1011 5.999,1012 7.281,1014 10.877,1015 5.834,1016 8.811,1017 -0.231,1018 10.871,1019 1.534,1020 6.581,1021 8.131,1023 12.773,1024 6.368,1025 10.234,1026 -0.304,1027 12.685,1028 -0.383,1029 7.999,1030 9.965,1032 15.461,1033 7.764,1034 11.682,1035 -0.347,1036 14.523,1037 -0.689,1038 8.923,1039 11.193,1041 17.692,1042 8.645,1043 13.15,1044 -0.729,1045 16.379,1046 -0.898,1047 10.178,1048 12.839,1050 20.231,1051 9.871,1052 3.343,1053 -0.949,1054 18.248,1055 -2,1056 11.25,1057 14.239,1059 22.606,1060 10.903,1061 2.998,1062 12.095,1063 20.128,1064 -2.052,1065 12.45,1066 15.814,1068 25.099,1069 12.072,1070 2.553,1071 9.832,1072 22.017,1073 4.734,1074 13.586,1075 17.293,1077 27.536,1078 13.17,1079 2.356,1080 8.633,1081 23.913,1082 4.092,1083 14.772,1084 18.843,1086 30.018,1087 14.322,1088 1.879,1089 7.478,1090 25.816,1091 3.231,1092 15.936,1093 20.357,1095 32.482,1096 15.45,1097 1.743,1098 5.225,1099 27.724,1100 3.138,1101 17.121,1102 21.901,1104 34.964,1105 16.6,1106 1.535,1107 4.819,1108 29.636,1109 2.481,1110 18.3,1111 23.431,1113 37.441,1114 17.742,1115 4670,1116 9177,1117 15.838,1118 24.165,1119 38.928,1120 40.869,1121 41.414,1122 38.414,1123 38.283,1124 51.663,1126 117.688,1127 36.439,1128 5.439,1129 5.437,1130 6.569,1131 5.38,1132 5.343,1133 7.734,1135 19.572,1136 5.224,1137 14.298,1138 1.557,1139 1.635,1140 1.657,1141 1.537,1142 1.531,1143 2.067,1145 4.708,1146 1.458,1147 4.136,1148 4.182,1149 4.121,1150 3.999,1151 8.211,1152 4.022,1153 3.881,1154 3.906,1155 3.861,1156 3.759,1157 8.191,1158 3.78,1159 3.577,1160 3.654,1161 3.445,1162 3.407,1163 7.452,1164 3.4,1165 3.289,1166 3.336,1167 3.224,1168 3.09,1169 5.254,1170 3.12,1171 3.092,1172 3.167,1173 2.987,1174 2.805,1175 4.869,1176 2.843,1177 2.976,1178 3.069,1179 2.913,1180 2.73,1181 4.554,1182 2.753,1183 2.937,1184 3.009,1185 2.863,1186 2.671,1187 4.353,1188 2.708,1189 2.874,1190 2.985,1191 2.521,1192 2.618,1193 4.042,1194 2.57,1195 0.191,1196 0.137,1197 0.282,1198 0.172,1199 0.134,1200 4.764,1201 0.189,1202 3.437,1204 7.041,1205 0.484,1206 4.307,1207 0.129,1208 3.343,1209 4.734,1211 12.095,1212 3.224,1213 1.934,1214 1.918,1215 1.982,1216 2.042,1217 1.154,1218 2.021,1219 1.8,1220 1.754,1221 1.943,1222 1.993,1223 1.112,1224 1.973,1225 1.616,1226 1.553,1227 1.769,1228 1.818,1229 0.833,1230 1.813,1231 1.224,1232 1.188,1233 1.417,1234 1.458,1235 0.469,1236 1.427,1237 0.966,1238 0.893,1239 1.344,1240 1.316,1241 0.323,1242 1.308,1243 0.934,1244 0.804,1245 1.202,1246 1.239,1247 0.072,1248 1.291,1249 0.832,1250 0.787,1251 1.035,1252 1.152,1253 0.061,1254 1.12,1255 0.79,1256 0.725,1257 1.005,1258 1.074,1259 0.018,1260 1.047,1261 3.932,1263 5.293,1264 2.398,1265 6.858,1266 4.844,1267 8.519,1268 7.081,1269 10.23,1271 3.788,1273 27.789,1275 5.892,1281 -0.038,1289 24.222,1290 65.799,1291 144.466,1292 158.608,1293 158.608,1294 158.608,1295 158.608,1296 58.44,1297 7.054,1298 86.69,1299 86.69,1300 17,1301 12.662,1302 4.17,1303 3.322,1304 36.516,1305 66,1306 74,1307 0.28,1308 149.42,1309 253.09,1310 356.346,1311 9002,1312 5.6,1313 16.723,1314 0.727,1315 0.54,1316 14.983,1317 12.417,1318 10.935,1319 0.437,1320 0.275,1321 6.724,1322 10.304,1323 6.55,1324 5.443,1325 10.113,1326 6.869,1327 10.215,1328 0.276,1329 0.144,1330 9.146,1331 5.316,1332 8.681,1333 0.167,1334 0.067,1335 7.868,1336 3.478,1337 7.757,1338 0.108,1339 0.033,1340 6.666,1341 2.391,1342 5.76,1343 0.064,1344 0.018,1345 5.483,1346 1.583,1347 0.416,1348 70.19,1349 0.251,1350 21.766,1351 0.84,1352 124,1353 521.85,1354 142.537,1355 451.774,1356 597.61,1357 418,1358 151,1359 432.687,1360 169.943,1361 424.719,1362 626.41,1363 398,1364 5.149}
{0 CHEMBL1241862,1 1.755,2 8.087,3 2.093,4 4.379,5 89.948,6 8.706,7 0.64,8 3.764,9 3.895,10 3.449,11 3.29,12 5.001,13 3.292,14 4.244,15 4.414,16 3.866,17 3.679,18 5.489,19 3.667,20 4.456,21 4.634,22 3.991,23 3.82,24 5.678,25 3.799,26 4.563,27 4.764,28 4.054,29 3.837,30 5.886,31 3.804,32 4.506,33 4.715,34 3.758,35 3.77,36 5.632,37 3.696,38 4.377,39 4.578,40 3.731,41 3.689,42 5.51,43 3.609,44 4.449,45 4.702,46 3.63,47 3.583,48 5.629,49 3.461,50 4.281,51 4.572,52 3.342,53 3.328,54 5.301,55 3.164,56 0.115,57 0.619,58 6.124,59 2.822,60 13.283,61 3.522,62 0.258,63 0.933,64 12.374,65 4.97,66 33.234,67 6.536,68 0.329,69 1.085,70 17.271,71 5.834,72 32.838,73 7.443,74 0.535,75 1.144,76 21.618,77 6.473,78 59.011,79 8.46,80 0.446,81 1.052,82 21.499,83 6.133,84 48.419,85 8.036,86 0.26,87 0.957,88 15.559,89 5.78,90 27.011,91 7.817,92 0.483,93 0.877,94 21.293,95 6.121,96 58.061,97 8.709,98 0.379,99 0.621,100 24.178,101 6.566,102 40.086,103 9.316,104 41,105 37,106 0.313,107 0.708,108 0.783,109 0.824,110 0.834,111 0.834,112 3.19,113 0.883,114 -4.46,115 -4.39,116 -4.14,118 39.5,119 2,126 1,138 3,139 3,140 1,142 1,143 1,144 1,153 1,156 1,158 2,159 2,160 2,161 1,167 4,170 2,171 8,172 2,173 2,175 2,178 8,180 2,181 1,182 6,186 1,188 6,190 1,191 2,192 10,194 3,195 3,197 4,199 4,201 4,204 8,208 3,211 4,213 3,215 6,220 3,223 4,225 3,227 1,228 5,230 1,231 1,233 3,235 2,237 3,239 1,242 1,243 1,247 4,251 2,254 3,255 3,256 1,259 2,263 1,264 690,265 14.983,266 14.983,267 14.983,268 14.983,269 14.983,270 12.955,271 13.912,272 8.494,273 15.334,274 12.285,275 12.285,276 12.285,277 12.285,278 12.285,279 9.14,280 10.971,281 3.944,282 12.895,283 3.493,284 1.274,285 0.849,286 0.619,287 0.566,288 0.566,289 3.861,290 1,292 1,293 1,294 1,295 390,296 3.162,299 46.358,300 123.5,303 88.247,307 1.229,308 27.079,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 50.333,320 186,321 4.76,322 3.569,323 7.039,324 4.302,325 3.339,326 4.732,327 0.98,328 12.087,329 3.218,330 4.333,331 3.371,332 6.369,333 3.924,334 2.957,335 3.987,337 9.561,338 2.847,339 3.86,340 2.933,341 6.123,342 3.535,343 2.571,344 3.264,346 8.682,347 2.479,348 3.756,349 2.668,350 5.741,351 3.367,352 2.4,353 3.172,355 7.528,356 2.313,357 3.234,358 2.407,359 4.824,360 2.751,361 1.816,362 2.461,364 4.861,365 1.661,366 3.024,367 1.822,368 4.747,369 2.675,370 1.738,371 2.166,373 4.799,374 1.608,375 2.945,376 1.628,377 4.364,378 2.41,379 1.487,380 2.109,382 3.87,383 1.326,384 2.672,385 1.452,386 3.86,387 2.155,388 1.176,389 1.716,391 2.823,392 1.134,393 2.472,394 1.054,395 3.675,396 1.97,397 1,398 1.435,400 2.604,401 0.966,402 2.118,403 0.844,404 3.483,405 1.749,406 0.786,407 1.014,409 2.003,410 0.755,411 1.187,412 0.448,413 2.698,414 0.738,415 -0.17,416 -0.213,417 -0.404,418 -0.125,419 1.056,420 0.061,421 2.425,422 0.6,423 -0.299,424 -0.381,425 -0.697,426 -0.264,427 0.778,428 -0.148,429 2.339,430 0.288,431 -0.609,432 -0.799,433 -1.709,434 -0.52,435 0.609,436 -0.485,437 2.255,438 0.099,439 -0.844,440 -1,441 -2,442 -0.783,443 0.429,444 -0.788,445 2.12,446 0.042,447 -1,448 -1.139,449 -2,450 -1,451 10.948,452 0.476,453 0.775,454 0.034,455 31.25,456 1.359,457 16,458 0.696,459 15.25,460 0.663,461 18.128,462 0.788,463 24.452,464 0.643,465 22.987,466 0.999,467 6.07,468 0.264,469 4.826,470 0.21,471 0.26,473 0.448,478 0.795,479 1.221,480 0.606,481 0.863,482 0.835,483 0.806,484 0.597,485 1.062,486 0.543,487 0.792,488 0.453,489 0.73,490 1.106,491 1.221,492 0.869,493 0.913,494 0.913,495 0.867,496 0.886,497 0.988,498 0.901,499 0.959,500 0.79,501 0.929,502 1.198,503 1.043,504 1.245,505 1.086,506 0.964,507 1.138,508 0.74,509 1.326,510 0.892,511 1.222,512 0.63,513 1.227,514 0.719,515 0.921,516 0.952,517 1.079,518 0.772,519 1.145,520 0.74,521 0.795,522 1.067,523 0.967,524 0.785,525 0.886,526 5,527 0.025,528 3.333,529 2.542,530 1.887,531 0.952,532 0.607,533 0.386,534 0.309,535 0.124,536 4744,537 16046,538 1.991,539 39.5,541 4,543 1,544 4,546 6,549 1.663,550 1.792,551 3.008,552 1.908,553 1,554 1,556 1,558 66.705,559 1.755,560 3.974,561 4.399,562 4.629,563 4.682,564 4.682,565 2.455,566 4.263,567 4.494,568 3.163,569 800.229,570 7.77,571 8757.25,572 1,573 1,575 1,576 199.421,577 1.55,578 4.413,579 0.2,580 0.004,581 0.09,582 0.064,583 0.048,584 0.032,585 0.022,586 0.018,587 0.019,588 0.011,589 0.509,590 0.17,591 1,592 1.009,593 104.985,594 -0.094,595 0.008,596 -0.001,597 0.062,598 -0.184,599 0.059,600 0.162,601 0.06,602 0.181,603 0.159,604 0.193,605 0.195,606 -0.175,607 -0.139,609 0.04,610 -0.077,611 0.047,612 0.103,613 0.059,614 0.051,615 -0.017,616 0.115,617 -0.007,618 -0.277,619 -0.016,620 -0.278,621 -0.128,622 -0.184,623 -0.197,624 -0.039,625 -0.288,626 -0.067,627 -0.251,628 -0.043,629 -0.257,630 0.141,631 0.005,632 0.039,633 -0.107,634 0.023,635 -0.135,636 0.211,637 -0.069,638 0.257,639 0.137,640 0.129,641 0.271,642 2.248,643 4.308,644 0.652,645 16.87,646 1.018,647 1.137,648 3.233,649 10.455,650 0.688,651 3.258,652 3.638,653 3.951,654 4.263,655 4.489,656 4.644,657 4.736,658 4.828,659 4.852,660 4.812,661 5.053,662 0.666,663 330.81,664 3.258,665 4.828,666 5.707,667 6.621,668 7.525,669 8.446,670 9.358,671 10.282,672 11.198,673 12.124,674 15.8,678 1,681 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,703 1,708 1,715 1,716 38,718 17,719 1,720 25,722 40,723 15,724 11,725 3,726 3,727 1,728 3,729 4,730 1,732 2,738 1,740 12,741 3,744 1,749 1,753 1,756 1,757 1,760 15,761 6,762 4,763 8,764 1,769 6,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,824 1,827 23,828 2,837 1,849 1,850 2.6,853 1,858 12.833,859 7.443,860 4.972,861 2.17,863 3.241,864 1.46,865 0.993,866 3.961,867 10.293,868 3.555,869 4.245,870 4.926,871 5.6,872 6.166,873 6.597,874 7.044,875 7.484,876 7.791,877 8.095,878 1,879 40,880 8.431,881 3.626,882 7.969,883 15.616,884 12.692,885 2.469,886 56.778,890 129.482,891 78.647,892 117.805,893 39.149,894 25.145,897 78.647,898 193.776,899 117.805,900 17.65,901 32.897,902 61.326,903 93.57,904 25.597,905 2.328,906 117.711,907 39.149,908 129.482,909 196.452,910 25.145,911 39.149,913 58.856,914 95.772,917 65.415,918 80.803,919 89.383,921 129.482,922 142.95,923 117.796,926 129.482,927 23.949,928 56.474,930 180.322,931 129.482,932 142.95,933 117.796,935 0.599,936 0.359,937 0.198,938 0.106,939 19,940 10,941 0.075,942 3,943 1,944 1.133,945 3.296,946 192.599,947 0.133,948 15,949 102.042,954 15.716,955 5.797,956 2.644,957 1.307,958 141.173,959 6.344,960 12.915,964 2.188,965 1.776,966 65.794,967 390.228,968 34,973 11.308,977 -0.582,980 38.68,981 43.219,983 0.334,984 0.757,985 0.838,986 0.882,987 0.892,988 0.892,989 4.812,990 1.176,991 5.74,992 3.87,993 4.317,994 4.931,995 1.072,996 6.632,997 4.227,998 6.073,999 1,1000 7.358,1001 2.823,1002 4.111,1003 4.945,1005 7.711,1006 3.975,1007 7.42,1008 0.786,1009 9.077,1010 2.604,1011 5.989,1012 7.263,1013 1.045,1014 10.849,1015 5.828,1016 8.807,1017 -0.17,1018 10.853,1019 2.003,1020 6.567,1021 8.1,1023 12.747,1024 6.366,1025 10.226,1026 -0.299,1027 12.665,1028 -0.404,1029 7.983,1030 9.935,1031 1.019,1032 15.428,1033 7.755,1034 11.67,1035 -0.609,1036 14.501,1037 -0.697,1038 8.901,1039 11.153,1041 17.663,1042 8.633,1043 13.134,1044 -0.844,1045 16.356,1046 -1.709,1047 10.154,1048 12.8,1049 0.993,1050 20.198,1051 9.855,1052 3.339,1053 -1,1054 18.224,1055 -2,1056 11.22,1057 14.196,1059 22.576,1060 10.881,1061 2.957,1062 12.087,1063 20.104,1064 -2,1065 12.418,1066 15.772,1067 0.967,1068 25.068,1069 12.047,1070 2.571,1071 9.561,1072 21.992,1073 4.732,1074 13.55,1075 17.249,1077 27.507,1078 13.139,1079 2.4,1080 8.682,1081 23.888,1082 3.987,1083 14.734,1084 18.801,1085 0.942,1086 29.99,1087 14.288,1088 1.816,1089 7.528,1090 25.79,1091 3.264,1092 15.896,1093 20.315,1095 32.456,1096 15.412,1097 1.738,1098 4.861,1099 27.697,1100 3.172,1101 17.079,1102 21.861,1103 0.917,1104 34.939,1105 16.559,1106 1.487,1107 4.799,1108 29.609,1109 2.461,1110 18.256,1111 23.392,1113 37.418,1114 17.699,1115 4791,1116 8932,1117 15.838,1118 26.154,1119 39.147,1120 39.851,1121 41.252,1122 38.718,1123 38.543,1124 52.114,1125 1.96,1126 117.638,1127 36.612,1128 5.443,1129 5.569,1130 6.567,1131 5.375,1132 5.339,1133 7.732,1134 1.96,1135 19.557,1136 5.218,1137 14.441,1138 1.566,1139 1.594,1140 1.65,1141 1.549,1142 1.542,1143 2.085,1144 0.078,1145 4.706,1146 1.464,1147 4.135,1148 4.181,1149 4.138,1150 4.005,1151 7.437,1152 4.024,1153 3.874,1154 3.898,1155 3.961,1156 3.776,1157 5.257,1158 3.787,1159 3.577,1160 3.655,1161 3.445,1162 3.408,1163 4.957,1164 3.4,1165 3.363,1166 3.415,1167 3.344,1168 3.129,1169 4.866,1170 3.167,1171 3.139,1172 3.233,1173 3.302,1174 2.85,1175 4.801,1176 2.89,1177 2.988,1178 3.096,1179 3.001,1180 2.792,1181 4.513,1182 2.767,1183 2.878,1184 3.009,1185 2.862,1186 2.676,1187 4.275,1188 2.714,1189 2.874,1190 2.922,1191 2.543,1192 2.618,1193 4.048,1194 2.57,1195 0.19,1196 0.143,1197 0.282,1198 0.172,1199 0.134,1200 4.76,1201 0.189,1202 3.569,1203 0.039,1204 7.039,1205 0.483,1206 4.302,1207 0.129,1208 3.339,1209 4.732,1210 0.98,1211 12.087,1212 3.218,1213 1.942,1214 1.926,1215 1.995,1216 2.038,1217 1.158,1218 2.023,1219 1.803,1220 1.757,1221 1.945,1222 1.986,1223 1.127,1224 1.975,1225 1.619,1226 1.556,1227 1.774,1228 1.819,1229 0.844,1230 1.817,1231 1.264,1232 1.221,1233 1.417,1234 1.55,1235 0.469,1236 1.514,1237 1.017,1238 0.938,1239 1.405,1240 1.365,1241 0.325,1242 1.337,1243 0.934,1244 0.824,1245 1.225,1246 1.239,1247 0.158,1248 1.308,1249 0.868,1250 0.804,1251 1.128,1252 1.184,1253 0.05,1254 1.168,1255 0.824,1256 0.741,1257 1.038,1258 1.046,1259 0.008,1260 1.06,1261 3.932,1263 5.293,1264 2.398,1265 6.851,1266 4.844,1267 8.502,1268 7.081,1269 10.203,1271 3.995,1272 6.137,1275 11.291,1281 0.098,1289 25.305,1290 66.705,1291 151.015,1292 167.157,1293 175.911,1294 177.911,1295 177.911,1296 41.913,1297 7.052,1298 112.71,1299 112.71,1300 17,1301 12.631,1302 4.17,1303 3.322,1304 36.603,1305 68,1306 70,1307 0.271,1308 162.151,1309 267.16,1310 387.409,1311 9080,1312 2.6,1313 16.723,1314 0.727,1315 0.581,1316 17.223,1317 13.372,1318 10.897,1319 0.436,1320 0.294,1321 6.91,1322 10.17,1323 6.661,1324 5.556,1325 11.185,1326 7.36,1327 10.415,1328 0.281,1329 0.157,1330 10.786,1331 5.811,1332 8.531,1333 0.167,1334 0.075,1335 8.863,1336 3.828,1337 7.481,1338 0.107,1339 0.038,1340 7.909,1341 2.693,1342 5.735,1343 0.065,1344 0.02,1345 5.93,1346 1.726,1347 0.407,1348 71.565,1349 0.251,1350 21.9,1351 0.802,1352 124,1353 385.144,1354 152.197,1355 408.731,1356 551.55,1357 378,1358 150,1359 395.637,1360 174.834,1361 410.124,1362 603.82,1363 385,1364 5.509}
{0 CHEMBL1241863,1 1.597,2 8.75,3 1.849,4 3.417,5 94.079,6 8.01,7 0.593,8 3.824,9 3.954,10 3.458,11 3.359,12 5.009,13 3.364,14 4.322,15 4.492,16 3.861,17 3.756,18 5.494,19 3.749,20 4.544,21 4.736,22 3.928,23 3.883,24 5.691,25 3.864,26 4.619,27 4.841,28 3.881,29 3.89,30 5.752,31 3.844,32 4.539,33 4.755,34 3.722,35 3.823,36 5.615,37 3.759,38 4.452,39 4.651,40 3.649,41 3.743,42 5.583,43 3.676,44 4.524,45 4.787,46 3.44,47 3.66,48 5.521,49 3.547,50 4.385,51 4.683,52 3.252,53 3.437,54 5.343,55 3.302,56 0.078,57 0.672,58 7.196,59 3.069,60 9.284,61 3.933,62 0.215,63 1.053,64 13.484,65 5.266,66 22.278,67 7.096,68 0.262,69 1.251,70 18.01,71 6.155,72 29.045,73 8.32,74 0.377,75 1.301,76 20.749,77 6.945,78 39.755,79 9.638,80 0.264,81 1.179,82 18.773,83 6.433,84 31.68,85 8.866,86 0.226,87 1.101,88 16.437,89 5.968,90 32.267,91 8.103,92 0.311,93 1.088,94 20.486,95 6.398,96 39.591,97 9.396,98 0.325,99 0.865,100 19.875,101 6.503,102 37.436,103 9.812,104 18,105 40,106 0.279,107 0.699,108 0.814,109 0.844,110 0.844,111 0.844,112 3.23,113 0.852,114 -4.36,115 -4.3,116 -4.05,118 42.5,119 2,126 1,132 2,138 3,139 3,140 1,142 1,143 1,144 1,153 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 8,172 1,173 2,175 4,178 8,180 1,181 1,182 6,186 3,188 7,191 2,192 10,194 3,195 3,197 2,199 7,201 1,204 9,208 2,211 4,213 2,215 9,218 1,220 5,223 5,225 4,228 3,231 1,233 1,235 4,237 1,239 1,240 3,243 2,244 1,245 1,246 1,247 2,249 1,251 1,257 2,260 2,264 758,265 16.085,266 16.085,267 16.085,268 16.085,269 16.085,270 13.994,271 17.007,272 9.195,273 16.372,274 13.321,275 13.321,276 13.321,277 13.321,278 13.321,279 9.947,280 18.192,281 4.348,282 13.774,283 3.725,284 1.317,285 0.657,286 0.488,287 0.488,288 0.488,289 3.925,292 1,293 1,294 1,295 460,296 2.739,299 43.524,300 159.84,303 83.676,304 88.462,307 1.375,308 22.141,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 52,320 210,321 4.761,322 3.498,323 7.039,324 4.303,325 3.339,326 4.732,327 1.058,328 12.088,329 3.223,330 4.322,331 3.373,332 6.262,333 3.93,334 2.948,335 3.973,337 9.449,338 2.893,339 3.859,340 2.881,341 6.082,342 3.532,343 2.57,344 3.253,346 8.608,347 2.473,348 3.762,349 2.658,350 5.719,351 3.374,352 2.407,353 3.169,355 7.488,356 2.324,357 3.494,358 2.387,359 4.962,360 3.094,361 2.08,362 2.756,364 5.803,365 2.092,366 3.036,367 1.821,368 4.819,369 2.683,370 1.742,371 2.231,373 4.818,374 1.636,375 3.028,376 1.688,377 4.495,378 2.603,379 1.618,380 2.174,382 4.416,383 1.592,384 2.975,385 1.526,386 4.377,387 2.446,388 1.501,389 2.124,391 4.065,392 1.414,393 2.525,394 1.084,395 3.861,396 2.011,397 1.064,398 1.534,400 2.761,401 1.005,402 2.347,403 0.868,404 3.492,405 1.796,406 0.827,407 1.096,409 2.067,410 0.799,411 2.125,412 0.855,413 3.274,414 1.682,415 0.694,416 1.004,417 1.685,418 0.684,419 1.389,420 0.613,421 2.724,422 0.907,423 -0.108,424 -0.153,425 -0.26,426 -0.108,427 1.058,428 -0.147,429 2.432,430 0.615,431 -0.302,432 -0.393,433 -0.705,434 -0.277,435 0.744,436 -0.416,437 2.384,438 0.368,439 -0.618,440 -0.734,441 -1.82,442 -0.607,443 0.703,444 -0.574,445 2.27,446 0.275,447 -0.715,448 -1,449 -2,450 -0.694,451 11.233,452 0.468,453 0.716,454 0.03,455 34.25,456 1.427,457 18,458 0.75,459 16.25,460 0.677,461 17.446,462 0.727,463 24.767,464 0.619,465 24.561,466 1.023,467 6.62,468 0.276,469 4.922,470 0.205,471 0.154,473 0.436,478 0.8,479 1.224,480 0.725,481 0.961,482 0.743,483 0.844,484 0.618,485 1.095,486 0.658,487 0.911,488 0.496,489 0.809,490 1.121,491 1.167,492 0.922,493 0.955,494 0.907,495 0.907,496 0.904,497 0.895,498 0.956,499 0.913,500 0.78,501 0.931,502 1.079,503 1.07,504 1.124,505 1.06,506 0.821,507 1.083,508 1.031,509 1.265,510 1.198,511 1.264,512 1.01,513 1.261,514 0.92,515 0.992,516 1.176,517 1.071,518 0.82,519 1.135,520 0.46,521 0.758,522 0.77,523 0.896,524 0.474,525 0.89,526 5,527 0.083,528 3.111,529 2.104,530 2.14,531 0.827,532 0.564,533 0.436,534 0.215,535 0.178,536 5894,537 16649,538 2.11,539 40,541 6,543 1,544 3,546 6,549 1.673,550 1.946,551 3.102,552 1.039,553 1,554 1,556 1,558 63.88,559 1.597,560 4.005,561 4.665,562 4.834,563 4.834,564 4.834,565 2.555,566 4.418,567 4.557,568 3.236,569 893.149,570 7.888,571 9993.54,572 1,573 1,575 1,576 212.877,577 1.483,578 4.504,579 0.185,580 0.012,581 0.078,582 0.05,583 0.055,584 0.025,585 0.019,586 0.019,587 0.011,588 0.014,589 0.468,590 0.33,591 1,592 0.813,593 111.361,594 -0.045,595 -0.047,596 0.04,597 0.02,598 -0.13,599 0.041,600 0.198,601 0.006,602 0.192,603 0.068,604 0.143,605 0.115,606 -0.155,607 -0.102,608 -0.021,610 -0.062,611 0.011,612 0.012,613 0.135,614 -0.009,615 0.039,617 0.015,618 -0.211,619 -0.052,620 -0.196,621 -0.089,622 -0.063,623 -0.125,624 -0.163,625 -0.234,626 -0.296,627 -0.293,628 -0.146,629 -0.317,630 -0.122,631 -0.04,632 -0.17,633 -0.111,634 -0.153,635 -0.137,636 0.324,637 0.069,638 0.325,639 0.123,640 0.236,641 0.205,642 1.789,643 4.432,644 0.792,645 17.667,646 1.009,647 1.132,648 3.133,649 9.816,650 0.682,651 3.332,652 3.714,653 4.043,654 4.382,655 4.673,656 4.796,657 4.92,658 5.088,659 5.182,660 5.231,661 5.231,662 0.662,663 320.39,664 3.332,665 4.905,666 5.79,667 6.706,668 7.613,669 8.534,670 9.45,671 10.374,672 11.294,673 12.218,674 15,678 1,681 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,716 40,718 18,719 1,720 27,722 43,723 17,724 11,725 3,726 3,727 3,728 4,729 6,732 2,738 1,740 14,741 3,744 2,749 1,751 2,753 1,756 1,757 1,760 16,761 6,762 3,763 7,769 6,775 0.5,776 1,785 1,788 1,793 1,794 3,797 1,798 1,807 1,811 2,819 2,823 2,827 24,828 1,834 1,837 1,850 2.5,853 1,858 12.333,859 7.883,860 5.111,861 2.391,863 3.675,864 1.484,865 1.028,866 3.358,867 11.261,868 3.638,869 4.314,870 5.003,871 5.682,872 6.291,873 6.716,874 7.179,875 7.67,876 8.025,877 8.375,878 0.833,879 42,880 8.818,881 3.834,882 7.799,883 16.669,884 13.897,885 2.299,886 55.167,890 153.024,891 96.856,892 102.919,894 25.145,897 96.856,898 178.169,899 102.919,900 17.65,901 18.011,902 80.278,903 93.57,904 24.853,905 2.328,906 141.253,908 153.024,909 199.774,910 25.145,913 82.398,914 95.772,917 50.528,918 80.059,919 69.187,921 153.024,922 128.064,923 96.856,926 153.024,927 23.205,928 75.427,929 18.011,930 108.276,931 153.024,932 128.064,933 96.856,935 0.597,936 0.355,937 0.202,938 0.12,939 22,940 10,941 0.047,942 2,943 2,944 1.211,945 3.496,946 211.577,947 0.211,948 19,949 108.039,954 14.851,955 5.427,956 2.395,957 1.462,958 126.287,959 7.209,960 13.158,964 3.756,965 1.847,966 50.908,967 377.944,968 37,973 11.432,975 3.299,977 -0.123,980 40.356,981 45.275,983 0.3,984 0.753,985 0.877,986 0.908,987 0.908,988 0.908,989 4.898,990 1.501,991 5.808,992 4.416,993 4.394,994 5.001,995 1.176,996 6.688,997 4.332,998 6.146,999 1.064,1000 7.41,1001 4.065,1002 4.111,1003 4.945,1005 7.716,1006 4.03,1007 7.484,1008 0.827,1009 9.112,1010 2.761,1011 6.052,1012 7.311,1013 1.255,1014 10.864,1015 5.929,1016 8.861,1017 0.694,1018 10.872,1019 2.067,1020 6.567,1021 8.1,1023 12.736,1024 6.42,1025 10.271,1026 -0.108,1027 12.67,1028 1.685,1029 8.019,1030 9.956,1031 1.338,1032 15.421,1033 7.836,1034 11.707,1035 -0.302,1036 14.494,1037 -0.26,1038 8.899,1039 11.15,1041 17.648,1042 8.684,1043 13.162,1044 -0.618,1045 16.338,1046 -0.705,1047 10.169,1048 12.806,1049 1.422,1050 20.186,1051 9.92,1052 3.339,1053 -0.715,1054 18.199,1055 -1.82,1056 11.216,1057 14.191,1059 22.563,1060 10.933,1061 2.948,1062 12.088,1063 20.072,1064 -2,1065 12.422,1066 15.771,1067 1.51,1068 25.057,1069 12.105,1070 2.57,1071 9.449,1072 21.955,1073 4.732,1074 13.545,1075 17.244,1077 27.497,1078 13.192,1079 2.407,1080 8.608,1081 23.847,1082 3.973,1083 14.732,1084 18.798,1085 1.599,1086 29.982,1087 14.344,1088 2.08,1089 7.488,1090 25.747,1091 3.253,1092 15.891,1093 20.311,1095 32.449,1096 15.466,1097 1.742,1098 5.803,1099 27.653,1100 3.169,1101 17.075,1102 21.857,1103 1.69,1104 34.934,1105 16.615,1106 1.618,1107 4.818,1108 29.565,1109 2.756,1110 18.251,1111 23.389,1113 37.413,1114 17.754,1115 5640,1116 9607,1117 17.918,1118 27.296,1119 42.357,1120 42.951,1121 43.581,1122 41.563,1123 41.583,1124 56.094,1125 2.117,1126 126.496,1127 40.269,1128 5.589,1129 5.498,1130 6.567,1131 5.376,1132 5.339,1133 7.732,1134 2.117,1135 19.555,1136 5.223,1137 12.207,1138 1.569,1139 1.591,1140 1.614,1141 1.539,1142 1.54,1143 2.078,1144 0.078,1145 4.685,1146 1.491,1147 4.141,1148 4.186,1149 4.122,1150 4.017,1151 7.43,1152 4.034,1153 3.933,1154 3.967,1155 3.893,1156 3.812,1157 5.256,1158 3.83,1159 3.579,1160 3.656,1161 3.445,1162 3.418,1163 4.885,1164 3.41,1165 3.495,1166 3.527,1167 3.438,1168 3.352,1169 4.731,1170 3.364,1171 3.167,1172 3.253,1173 3.07,1174 2.951,1175 4.492,1176 2.974,1177 3.018,1178 3.112,1179 2.906,1180 2.794,1181 4.166,1182 2.819,1183 2.979,1184 3.055,1185 2.87,1186 2.679,1187 4.037,1188 2.719,1189 2.874,1190 3.009,1191 2.594,1192 2.618,1193 3.795,1194 2.57,1195 0.176,1196 0.13,1197 0.261,1198 0.159,1199 0.124,1200 4.761,1201 0.175,1202 3.498,1203 0.039,1204 7.039,1205 0.448,1206 4.303,1207 0.119,1208 3.339,1209 4.732,1210 1.058,1211 12.088,1212 3.223,1213 1.982,1214 1.961,1215 2.055,1216 2.071,1217 1.193,1218 2.066,1219 1.817,1220 1.772,1221 1.948,1222 2.015,1223 1.142,1224 1.989,1225 1.64,1226 1.578,1227 1.798,1228 1.842,1229 0.881,1230 1.838,1231 1.45,1232 1.411,1233 1.598,1234 1.621,1235 0.616,1236 1.614,1237 1.104,1238 1.041,1239 1.417,1240 1.372,1241 0.469,1242 1.349,1243 0.94,1244 0.876,1245 1.261,1246 1.239,1247 0.289,1248 1.308,1249 0.934,1250 0.804,1251 1.184,1252 1.225,1253 0.106,1254 1.226,1255 0.82,1256 0.749,1257 1.024,1258 1.152,1259 0.031,1260 1.126,1261 4.007,1263 5.371,1264 2.398,1265 6.934,1266 4.844,1267 8.592,1268 7.081,1269 10.3,1271 4.083,1275 6.088,1278 2.81,1281 0.146,1289 26.477,1290 63.88,1291 160.206,1292 186.612,1293 193.367,1294 193.367,1295 193.367,1296 33.734,1297 7.586,1298 102.48,1299 102.48,1300 23,1301 12.725,1302 4.248,1303 3.459,1304 33.701,1305 74,1306 84,1307 0.227,1308 162.682,1309 271.55,1310 388.704,1311 18888,1313 16.845,1314 0.702,1315 0.555,1316 16.845,1317 13.316,1318 11.542,1319 0.427,1320 0.284,1321 7.556,1322 11.084,1323 7.337,1324 6.115,1325 11.542,1326 7.665,1327 10.968,1328 0.274,1329 0.149,1330 10.968,1331 5.969,1332 9.315,1333 0.166,1334 0.072,1335 9.315,1336 4.004,1337 8.19,1338 0.104,1339 0.036,1340 8.19,1341 2.859,1342 7.068,1343 0.067,1344 0.019,1345 7.068,1346 2.029,1347 0.343,1348 72.379,1349 0.236,1350 22.807,1351 0.664,1352 134,1353 383.961,1354 147.704,1355 378.796,1356 531.49,1357 354,1358 163,1359 413.183,1360 177.289,1361 418.039,1362 616.97,1363 394,1364 4.921}
{0 CHEMBL1241864,1 1.567,2 9.385,3 2.524,4 6.373,5 101.325,6 7.873,7 0.533,8 3.925,9 4.053,10 3.553,11 3.482,12 5.044,13 3.479,14 4.466,15 4.629,16 3.957,17 3.918,18 5.562,19 3.891,20 4.74,21 4.959,22 3.99,23 4.014,24 5.762,25 3.963,26 4.721,27 4.957,28 3.968,29 3.969,30 5.793,31 3.923,32 4.626,33 4.835,34 3.869,35 3.941,36 5.685,37 3.888,38 4.585,39 4.782,40 3.807,41 3.911,42 5.651,43 3.846,44 4.646,45 4.883,46 3.696,47 3.87,48 5.619,49 3.772,50 4.613,51 4.892,52 3.454,53 3.713,54 5.562,55 3.573,56 0.069,57 0.736,58 8.218,59 3.558,60 8.826,61 4.597,62 0.197,63 1.204,64 15.599,65 6.441,66 21.638,67 8.646,68 0.262,69 1.451,70 23.751,71 8.223,72 33.701,73 11.554,74 0.404,75 1.431,76 24.086,77 7.669,78 40.504,79 10.889,80 0.258,81 1.318,82 20.466,83 6.91,84 32.428,85 9.529,86 0.243,87 1.276,88 19.045,89 6.834,90 33.317,91 9.28,92 0.244,93 1.291,94 21.928,95 7.587,96 32.678,97 10.897,98 0.371,99 1.145,100 23.617,101 7.841,102 45.304,103 11.552,104 5,105 44,106 0.267,107 0.67,108 0.789,109 0.847,110 0.847,111 0.847,112 3.306,113 0.883,114 -4.83,115 -4.74,116 -4.45,118 43.2,120 4,126 1,132 2,138 3,139 3,140 1,142 1,143 1,144 1,153 1,156 1,158 1,159 1,160 1,161 1,167 9,170 2,171 8,172 1,173 2,175 4,178 10,180 1,181 1,182 8,186 3,188 7,191 2,192 12,194 3,195 3,197 2,199 7,201 1,204 11,208 2,211 6,213 2,215 9,218 1,220 5,223 7,225 4,228 5,231 1,233 3,235 8,237 3,239 1,240 3,243 2,244 1,245 1,246 1,247 6,249 1,251 1,257 2,260 4,264 968,265 17.947,266 17.947,267 17.947,268 17.947,269 17.947,270 15.856,271 17.007,272 10.416,273 18.217,274 14.841,275 14.841,276 14.841,277 14.841,278 14.841,279 11.481,280 18.192,281 4.963,282 15.283,283 3.893,284 1.535,285 0.835,286 0.5,287 0.5,288 0.5,289 4.019,292 1,293 1,294 1,295 552,296 2.236,299 101.424,300 173.538,303 89.701,304 96.155,307 1.385,308 23.182,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 56,320 244,321 4.764,322 3.498,323 7.051,324 4.312,325 3.349,326 4.733,327 1.058,328 12.147,329 3.23,330 4.323,331 3.386,332 6.297,333 3.936,334 2.953,335 3.974,337 9.538,338 2.898,339 3.904,340 2.9,341 6.157,342 3.654,343 2.685,344 3.271,346 9.008,347 2.6,348 3.783,349 2.75,350 5.758,351 3.4,352 2.424,353 3.181,355 7.674,356 2.367,357 3.495,358 2.387,359 5.08,360 3.094,361 2.083,362 2.757,364 5.806,365 2.092,366 3.238,367 2.037,368 4.961,369 2.947,370 1.991,371 2.365,373 5.687,374 1.898,375 3.035,376 1.688,377 4.495,378 2.603,379 1.618,380 2.218,382 4.417,383 1.592,384 2.99,385 1.531,386 4.377,387 2.449,388 1.506,389 2.173,391 4.078,392 1.415,393 2.638,394 1.407,395 4.234,396 2.306,397 1.342,398 1.684,400 3.529,401 1.29,402 2.451,403 1.074,404 3.664,405 1.981,406 1.039,407 1.43,409 2.572,410 0.976,411 2.341,412 0.856,413 3.278,414 1.717,415 0.727,416 1.068,417 1.783,418 0.718,419 1.856,420 0.724,421 3.246,422 1.642,423 0.66,424 0.78,425 1.659,426 0.647,427 1.618,428 0.618,429 3,430 1.618,431 0.618,432 0.618,433 1.372,434 0.618,435 1.389,436 0.604,437 2.724,438 0.907,439 -0.108,440 -0.153,441 -0.26,442 -0.108,443 1.058,444 -0.145,445 2.463,446 0.617,447 -0.3,448 -0.389,449 -0.703,450 -0.275,451 12.233,452 0.471,453 0.64,454 0.025,455 35.75,456 1.375,457 18,458 0.692,459 17.75,460 0.683,461 20.172,462 0.776,463 26.767,464 0.608,465 25.203,466 0.969,467 6.595,468 0.254,469 6.108,470 0.235,471 0.06,473 0.401,478 0.778,479 1.18,480 0.727,481 0.943,482 0.672,483 0.84,484 0.595,485 1.141,486 0.778,487 1.041,488 0.467,489 0.956,490 0.964,491 1.172,492 0.892,493 1.009,494 0.779,495 0.949,496 0.958,497 0.85,498 0.878,499 0.789,500 0.762,501 0.805,502 1.163,503 1.067,504 1.09,505 0.985,506 0.868,507 1.005,508 1.105,509 1.168,510 1.194,511 1.152,512 1.055,513 1.176,514 0.837,515 1.153,516 1.123,517 1.172,518 0.738,519 1.179,520 0.676,521 0.824,522 1.028,523 1.006,524 0.664,525 1.057,526 4.5,527 0.073,528 3.111,529 1.882,530 1.98,531 0.796,532 0.549,533 0.448,534 0.19,535 0.17,536 7876,537 20057,538 2.216,539 40.9,540 4,541 6,543 1,544 3,546 4,549 1.696,550 2.108,551 3.197,552 0.974,553 1,554 1,558 68.936,559 1.567,560 3.924,561 4.624,562 4.959,563 4.959,564 4.959,565 2.676,566 4.393,567 4.671,568 3.323,569 1079.91,570 8.122,571 12800.1,573 1,575 1,576 240.215,577 1.296,578 4.648,579 0.15,580 0.007,581 0.071,582 0.043,583 0.046,584 0.02,585 0.015,586 0.014,587 0.008,588 0.01,589 0.385,590 0.33,591 0.88,592 0.465,593 124.213,594 -0.029,595 -0.009,596 0.051,597 0.043,598 -0.051,599 0.057,600 0.181,601 -0.043,602 0.064,603 -0.051,604 0.146,605 -0.023,606 -0.049,607 -0.171,608 0.062,609 -0.034,610 0.024,611 0.019,612 0.024,613 0.178,614 0.101,615 0.149,616 0.028,617 0.14,618 -0.235,619 -0.013,620 -0.167,621 -0.032,622 -0.083,623 -0.072,624 -0.205,625 -0.109,626 -0.293,627 -0.191,628 -0.19,629 -0.245,630 -0.078,631 -0.162,632 -0.167,633 -0.2,634 -0.101,635 -0.196,636 0.14,637 0.078,638 0.012,639 -0.019,640 0.075,641 -0.022,642 1.779,643 4.504,644 0.923,645 20.692,646 1.005,647 1.129,648 3.603,649 12.981,650 0.683,651 3.434,652 3.807,653 4.159,654 4.511,655 4.779,656 4.949,657 5.142,658 5.338,659 5.455,660 5.509,661 5.525,662 0.659,663 346.43,664 3.434,665 5.004,666 5.894,667 6.808,668 7.718,669 8.639,670 9.558,671 10.483,672 11.406,673 12.333,674 13.6,678 1,681 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,716 44,718 18,719 1,720 30,722 48,723 19,724 11,725 3,726 3,727 3,728 5,729 7,735 5,738 5,740 14,741 5,744 2,749 1,751 2,753 1,756 1,757 1,760 18,761 6,762 3,763 7,769 6,775 0.6,776 1,785 1,788 1,793 2,794 3,797 1,798 1,807 1,811 2,819 3,827 26,828 1,833 4,834 1,837 1,850 2.3,853 1,858 12.333,859 7.883,860 5.528,861 2.808,863 3.637,864 1.457,865 1.06,866 3.539,867 11.586,868 3.714,869 4.366,870 5.049,871 5.725,872 6.33,873 6.776,874 7.268,875 7.768,876 8.138,877 8.494,878 1,879 44,880 9.605,881 4.271,882 7.699,883 18.521,884 16.087,885 2.199,886 57.167,889 1,890 176.567,891 89.343,892 102.919,894 25.145,897 89.343,898 201.711,899 102.919,901 28.149,902 80.278,903 93.57,904 24.853,905 2.328,906 164.795,908 176.567,909 192.262,910 25.145,913 129.482,914 72.229,917 43.016,918 80.059,919 69.187,921 176.567,922 128.064,923 89.343,926 176.567,927 33.344,928 57.776,929 18.011,930 108.276,931 176.567,932 128.064,933 89.343,935 0.591,936 0.356,937 0.207,938 0.115,939 25,940 10,941 0.042,942 2,943 2,944 1.167,945 3.772,946 242.595,947 0.167,948 24,949 118.211,954 15.534,955 5.924,956 2.529,957 1.587,958 126.287,959 7.357,960 13.531,964 3.91,965 2.021,966 50.908,967 393.973,968 40,973 11.504,975 3.34,977 -0.112,980 44.24,981 49.69,983 0.287,984 0.719,985 0.847,986 0.908,987 0.908,988 0.908,989 4.977,990 1.506,991 5.894,992 4.417,993 4.489,994 5.053,995 1.176,996 6.767,997 4.432,998 6.203,999 1.342,1000 7.485,1001 4.078,1002 4.111,1003 4.945,1005 7.769,1006 4.03,1007 7.532,1008 1.039,1009 9.177,1010 3.529,1011 6.133,1012 7.334,1013 1.255,1014 10.933,1015 6.019,1016 8.902,1017 0.727,1018 10.931,1019 2.572,1020 6.608,1021 8.109,1023 12.802,1024 6.464,1025 10.307,1026 0.66,1027 12.725,1028 1.783,1029 8.089,1030 9.967,1031 1.338,1032 15.49,1033 7.912,1034 11.739,1035 0.618,1036 14.548,1037 1.659,1038 8.951,1039 11.157,1041 17.715,1042 8.74,1043 13.192,1044 -0.108,1045 16.391,1046 1.372,1047 10.231,1048 12.812,1049 1.422,1050 20.254,1051 9.987,1052 3.349,1053 -0.3,1054 18.251,1055 -0.26,1056 11.27,1057 14.196,1059 22.631,1060 10.99,1061 2.953,1062 12.147,1063 20.124,1064 -0.703,1065 12.479,1066 15.775,1067 1.51,1068 25.126,1069 12.164,1070 2.685,1071 9.538,1072 22.007,1073 4.733,1074 13.599,1075 17.248,1077 27.567,1078 13.246,1079 2.424,1080 9.008,1081 23.899,1082 3.974,1083 14.787,1084 18.801,1085 1.599,1086 30.054,1087 14.399,1088 2.083,1089 7.674,1090 25.799,1091 3.271,1092 15.945,1093 20.314,1095 32.523,1096 15.518,1097 1.991,1098 5.806,1099 27.705,1100 3.181,1101 17.13,1102 21.861,1103 1.69,1104 35.011,1105 16.667,1106 1.618,1107 5.687,1108 29.617,1109 2.757,1110 18.306,1111 23.393,1113 37.493,1114 17.805,1115 7236,1116 11701,1117 20.69,1118 30.057,1119 46.318,1120 47.189,1121 46.927,1122 46.012,1123 45.991,1124 60.501,1125 2.117,1126 138.539,1127 44.682,1128 5.666,1129 5.498,1130 6.646,1131 5.387,1132 5.349,1133 7.733,1134 2.117,1135 19.687,1136 5.23,1137 9.171,1138 1.544,1139 1.573,1140 1.564,1141 1.534,1142 1.533,1143 2.017,1144 0.071,1145 4.618,1146 1.489,1147 4.152,1148 4.198,1149 4.13,1150 4.025,1151 7.43,1152 4.043,1153 3.941,1154 3.975,1155 3.896,1156 3.832,1157 5.255,1158 3.844,1159 3.791,1160 3.848,1161 3.667,1162 3.673,1163 4.883,1164 3.666,1165 3.495,1166 3.528,1167 3.439,1168 3.359,1169 4.731,1170 3.37,1171 3.259,1172 3.348,1173 3.189,1174 2.991,1175 4.489,1176 3.028,1177 3.035,1178 3.117,1179 2.929,1180 2.844,1181 4.206,1182 2.858,1183 2.98,1184 3.06,1185 2.886,1186 2.74,1187 4.097,1188 2.767,1189 2.869,1190 2.979,1191 2.654,1192 2.671,1193 3.81,1194 2.635,1195 0.159,1196 0.117,1197 0.235,1198 0.144,1199 0.112,1200 4.764,1201 0.158,1202 3.498,1203 0.035,1204 7.051,1205 0.405,1206 4.312,1207 0.108,1208 3.349,1209 4.733,1210 1.058,1211 12.147,1212 3.23,1213 1.982,1214 1.961,1215 2.055,1216 2.071,1217 1.244,1218 2.066,1219 1.811,1220 1.769,1221 1.896,1222 2.004,1223 1.211,1224 1.972,1225 1.618,1226 1.564,1227 1.86,1228 1.814,1229 1.189,1230 1.803,1231 1.577,1232 1.507,1233 1.774,1234 1.751,1235 0.891,1236 1.793,1237 1.445,1238 1.408,1239 1.595,1240 1.611,1241 0.618,1242 1.607,1243 1.1,1244 1.039,1245 1.257,1246 1.355,1247 0.3,1248 1.336,1249 0.939,1250 0.876,1251 1.183,1252 1.225,1253 0.143,1254 1.226,1255 0.82,1256 0.751,1257 1.025,1258 1.149,1259 0.094,1260 1.123,1261 4.111,1263 5.468,1264 3.045,1265 7.024,1266 5.352,1267 8.675,1268 7.455,1269 10.377,1275 6.187,1277 4.648,1278 2.836,1281 0.359,1289 29.004,1290 68.936,1291 172.666,1292 203.46,1293 218.215,1294 218.215,1295 218.215,1296 35.553,1297 7.95,1298 102.48,1299 102.48,1300 28,1301 12.838,1302 4.248,1303 3.459,1304 33.718,1305 84,1306 98,1307 0.196,1308 174.473,1309 293.79,1310 417.475,1311 29806,1313 17.673,1314 0.68,1315 0.544,1316 17.673,1317 14.144,1318 12.704,1319 0.423,1320 0.294,1321 8.718,1322 12.254,1323 8.592,1324 7.071,1325 12.704,1326 8.827,1327 11.769,1328 0.267,1329 0.155,1330 11.769,1331 6.814,1332 10.464,1333 0.166,1334 0.082,1335 10.464,1336 5.186,1337 9.351,1338 0.104,1339 0.043,1340 9.351,1341 3.903,1342 7.697,1343 0.065,1344 0.021,1345 7.697,1346 2.42,1347 0.297,1348 79.349,1349 0.22,1350 24.509,1351 0.571,1352 148,1353 397.961,1354 161.704,1355 392.317,1356 553.65,1357 368,1358 181,1359 431.183,1360 195.622,1361 435.311,1362 645.85,1363 412,1364 4}
{0 CHEMBL1241943,1 1.665,2 9.885,3 2.706,4 7.322,5 103.47,6 7.934,7 0.552,8 3.972,9 4.104,10 3.588,11 3.487,12 5.07,13 3.473,14 4.513,15 4.696,16 3.974,17 3.915,18 5.547,19 3.87,20 4.806,21 5.034,22 4.077,23 4.051,24 5.82,25 3.972,26 4.844,27 5.103,28 3.921,29 3.991,30 5.809,31 3.891,32 4.737,33 5,34 3.839,35 3.892,36 5.686,37 3.812,38 4.663,39 4.893,40 3.915,41 3.883,42 5.721,43 3.821,44 4.692,45 4.932,46 3.896,47 3.886,48 5.776,49 3.793,50 4.6,51 4.83,52 3.79,53 3.792,54 5.651,55 3.68,56 0.098,57 0.75,58 9.41,59 3.883,60 11.205,61 5.247,62 0.217,63 1.192,64 18.294,65 6.847,66 20.126,67 9.56,68 0.38,69 1.407,70 29.556,71 9.327,72 43.474,73 13.394,74 0.482,75 1.41,76 32.586,77 9.418,78 47.148,79 13.846,80 0.429,81 1.3,82 26.655,83 7.663,84 38.718,85 11.713,86 0.404,87 1.252,88 23.845,89 6.806,90 36.403,91 10.237,92 0.49,93 1.202,94 25.981,95 7.724,96 53.546,97 11.406,98 0.4,99 1.039,100 25.054,101 7.479,102 49.279,103 10.684,104 10,105 41,106 0.284,107 0.668,108 0.811,109 0.897,110 0.897,111 0.897,112 3.305,113 0.949,114 -4.85,115 -4.76,116 -4.47,118 38.3,120 3,121 1,124 3,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 6,172 1,173 1,175 4,178 6,180 1,181 1,182 5,186 5,188 6,191 2,192 8,194 3,195 3,197 2,199 3,201 1,204 8,206 2,208 3,211 2,213 2,215 6,218 2,220 2,223 5,225 2,228 3,231 3,232 1,233 2,234 1,235 5,237 1,240 3,245 4,247 4,249 2,252 1,255 1,256 1,257 4,259 1,260 4,262 1,264 980,265 17.706,266 17.706,267 17.706,268 17.706,269 17.706,270 15.746,271 16.752,272 10.422,273 18.165,274 14.31,275 14.31,276 14.31,277 14.31,278 14.31,279 11.362,280 13.708,281 4.957,282 15.129,283 3.89,284 1.641,285 0.804,286 0.298,287 0.298,288 0.298,289 4.003,290 1,292 1,293 1,294 1,295 560,296 2.55,299 52.327,300 218.001,303 99.939,307 1.518,308 26.127,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 56.333,320 257,321 4.746,322 3.353,323 7.001,324 4.28,325 3.314,326 4.723,327 0.4,328 11.956,329 3.2,330 4.211,331 3.168,332 6.081,333 3.752,334 2.815,335 3.878,337 8.748,338 2.633,339 3.729,340 2.615,341 5.803,342 3.523,343 2.539,344 3.143,346 7.706,347 2.498,348 3.673,349 2.479,350 5.573,351 3.282,352 2.348,353 3.081,355 7.119,356 2.166,357 3.492,358 2.405,359 5.329,360 3.226,361 2.288,362 2.509,364 6.856,365 2.118,366 2.999,367 1.882,368 4.488,369 2.516,370 1.565,371 2.237,373 4.214,374 1.488,375 2.82,376 1.726,377 4.465,378 2.444,379 1.508,380 1.948,382 4.043,383 1.406,384 2.79,385 1.541,386 4.038,387 2.347,388 1.414,389 1.884,391 3.512,392 1.289,393 2.517,394 1.478,395 3.705,396 2.3,397 1.351,398 1.52,400 3.117,401 1.27,402 2.436,403 1.138,404 3.606,405 1.957,406 1.027,407 1.422,409 2.558,410 0.954,411 2,412 1.082,413 3.247,414 1.953,415 1,416 1,417 2.136,418 0.939,419 1.66,420 0.631,421 3.097,422 1.515,423 0.536,424 0.588,425 1.286,426 0.523,427 1.371,428 0.545,429 2.736,430 0.925,431 0.103,432 0.125,433 0.227,434 0.072,435 1.064,436 -0.114,437 2.459,438 0.652,439 -0.265,440 -0.326,441 -0.628,442 -0.242,443 0.784,444 -0.273,445 2.375,446 0.423,447 -0.523,448 -0.578,449 -1.24,450 -0.493,451 12.448,452 0.479,453 0.627,454 0.024,455 32.5,456 1.25,457 15,458 0.577,459 17.5,460 0.673,461 22.725,462 0.874,463 28.352,464 0.603,465 22.85,466 0.879,467 5.986,468 0.23,469 6.645,470 0.256,471 0.116,473 0.353,478 0.9,479 1.299,480 0.665,481 0.95,482 0.93,483 0.89,484 0.752,485 1.144,486 0.712,487 0.966,488 0.544,489 0.942,490 0.791,491 1.176,492 0.802,493 1.029,494 0.642,495 0.969,496 0.847,497 0.973,498 0.916,499 0.968,500 0.727,501 0.958,502 0.897,503 0.978,504 0.683,505 0.778,506 0.674,507 0.83,508 0.984,509 1.101,510 0.813,511 0.928,512 0.974,513 0.962,514 0.82,515 0.973,516 0.84,517 0.938,518 0.854,519 0.988,520 1.027,521 1.078,522 0.963,523 1.113,524 1.228,525 1.121,526 4.5,527 0.095,528 3.111,529 1.854,530 1.673,531 0.747,532 0.617,533 0.534,534 0.228,535 0.117,536 7770,537 21065,538 2.124,539 44.7,540 2,541 9,543 1,544 4,546 5,549 1.695,550 2,551 3.274,552 1.773,553 1,554 1,558 78.259,559 1.665,560 3.914,561 4.751,562 5.257,563 5.257,564 5.257,565 2.763,566 4.393,567 4.668,568 3.418,569 1110.82,570 8.116,571 13577.4,573 1,575 1,576 261.066,577 1.37,578 4.637,579 0.155,580 0.007,581 0.076,582 0.044,583 0.045,584 0.021,585 0.017,586 0.016,587 0.008,588 0.006,589 0.397,591 1,592 0.54,593 125.705,594 -0.079,595 -0.036,596 0.013,597 0.047,598 -0.093,599 0.051,600 0.02,601 0.02,602 0.036,603 0.014,604 0.1,605 0.014,606 0.069,607 -0.164,608 0.088,609 -0.043,610 0.167,611 0.017,612 0.037,613 0.006,614 -0.003,615 -0.022,616 0.064,617 0.013,618 -0.034,619 0.034,620 0.069,621 0.12,622 0.055,623 0.114,624 -0.044,625 -0.013,626 -0.021,627 -0.026,628 -0.072,629 -0.044,630 0.132,631 0.047,632 0.033,633 0.002,634 0.111,635 -0.036,636 0.004,637 -0.108,638 0.002,639 -0.12,640 -0.053,641 -0.137,642 1.657,643 3.947,644 0.808,645 23,646 1.007,647 1.138,648 3.618,649 13.091,650 0.669,651 3.401,652 3.738,653 4.043,654 4.331,655 4.595,656 4.682,657 4.836,658 5.011,659 5.075,660 5.088,661 5.879,662 0.636,663 372.9,664 3.401,665 4.949,666 5.814,667 6.703,668 7.591,669 8.491,670 9.39,671 10.296,672 11.203,673 12.114,674 12.8,676 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 47,718 16,719 1,720 29,722 50,723 18,724 11,725 3,726 3,728 4,729 5,730 1,735 2,736 1,738 3,740 11,741 7,742 1,756 1,757 1,760 21,761 6,762 4,763 8,764 1,769 6,775 0.75,776 1,785 1,788 1,793 1,794 3,797 1,815 1,819 3,824 1,827 26,828 1,832 1,833 6,834 1,837 1,849 1,850 2.1,852 1,858 13,859 8.143,860 5.667,861 2.899,863 3.041,864 1.406,865 0.989,866 4.982,867 10.532,868 3.638,869 4.273,870 4.919,871 5.563,872 6.142,873 6.529,874 6.982,875 7.449,876 7.725,877 7.986,878 0.857,879 42,880 9.603,881 4.157,882 7.716,883 18.489,884 15.622,885 2.216,886 57.611,889 1,890 200.109,891 67.027,892 102.919,893 39.149,894 42.683,897 67.027,898 281.941,899 102.919,901 13.921,902 79.337,903 106.404,904 22.411,905 2.328,906 188.338,907 39.149,908 200.109,909 169.946,910 42.683,911 39.149,913 141.253,914 101.539,917 46.799,918 72.913,919 89.383,921 200.109,922 145.602,923 106.176,926 200.109,927 29.98,928 38.824,929 18.011,930 164.963,931 200.109,932 145.602,933 106.176,935 0.584,936 0.347,937 0.187,938 0.107,939 21,940 9,941 0.08,942 4,943 1,944 1.095,945 3.779,946 226.829,947 0.095,948 21,949 122.211,954 17.527,955 7.39,956 3.527,957 1.418,958 143.825,959 6.503,960 13.244,964 2.079,965 1.892,966 93.591,967 451.886,968 37,980 47.331,981 53.465,983 0.3,984 0.705,985 0.855,986 0.946,987 0.946,988 0.946,989 4.883,990 1.414,991 5.802,992 4.043,993 4.419,994 4.959,995 0.278,996 6.637,997 4.314,998 6.094,999 1.351,1000 7.375,1001 3.512,1002 4.007,1003 4.856,1005 7.594,1006 3.833,1007 7.413,1008 1.027,1009 9.051,1010 3.117,1011 6.028,1012 7.234,1013 0.05,1014 10.74,1015 5.843,1016 8.775,1017 1,1018 10.79,1019 2.558,1020 6.463,1021 8.021,1023 12.586,1024 6.217,1025 10.174,1026 0.536,1027 12.57,1028 2.136,1029 7.951,1030 9.88,1031 0.008,1032 15.265,1033 7.691,1034 11.602,1035 0.103,1036 14.381,1037 1.286,1038 8.781,1039 11.08,1041 17.486,1042 8.473,1043 13.052,1044 -0.265,1045 16.213,1046 0.227,1047 10.063,1048 12.738,1049 0.001,1050 20.021,1051 9.734,1052 3.314,1053 -0.523,1054 18.064,1055 -0.628,1056 11.082,1057 14.128,1059 22.398,1060 10.712,1061 2.815,1062 11.956,1063 19.928,1064 -1.24,1065 12.288,1066 15.711,1068 24.891,1069 11.893,1070 2.539,1071 8.748,1072 21.805,1073 4.723,1074 13.395,1075 17.187,1077 27.33,1078 12.965,1079 2.348,1080 7.706,1081 23.693,1082 3.878,1083 14.58,1084 18.743,1086 29.812,1087 14.12,1088 2.288,1089 7.119,1090 25.588,1091 3.143,1092 15.729,1093 20.258,1095 32.276,1096 15.236,1097 1.565,1098 6.856,1099 27.491,1100 3.081,1101 16.91,1102 21.806,1104 34.755,1105 16.387,1106 1.508,1107 4.214,1108 29.401,1109 2.509,1110 18.08,1111 23.339,1113 37.229,1114 17.524,1115 7388,1116 12383,1117 19.592,1118 31.438,1119 43.717,1120 44.478,1121 45.007,1122 43.681,1123 43.62,1124 56.117,1125 0.8,1126 126.957,1127 41.111,1128 5.746,1129 5.353,1130 6.803,1131 5.353,1132 5.314,1133 7.723,1134 0.8,1135 19.328,1136 5.2,1137 11.213,1138 1.507,1139 1.534,1140 1.552,1141 1.506,1142 1.504,1143 1.935,1144 0.028,1145 4.378,1146 1.418,1147 4.132,1148 4.18,1149 4.129,1150 3.996,1151 6.471,1152 4.017,1153 3.862,1154 3.92,1155 3.946,1156 3.757,1157 5.255,1158 3.759,1159 3.827,1160 3.855,1161 3.718,1162 3.702,1163 4.891,1164 3.7,1165 3.463,1166 3.55,1167 3.374,1168 3.261,1169 4.808,1170 3.26,1171 3.22,1172 3.298,1173 3.311,1174 3.015,1175 4.516,1176 3.036,1177 3.055,1178 3.155,1179 3.033,1180 2.868,1181 4.383,1182 2.863,1183 3.026,1184 3.12,1185 2.877,1186 2.758,1187 4.213,1188 2.76,1189 2.932,1190 3.004,1191 2.812,1192 2.746,1193 3.807,1194 2.748,1195 0.164,1196 0.116,1197 0.241,1198 0.148,1199 0.114,1200 4.746,1201 0.163,1202 3.353,1203 0.014,1204 7.001,1205 0.412,1206 4.28,1207 0.11,1208 3.314,1209 4.723,1210 0.4,1211 11.956,1212 3.2,1213 1.924,1214 1.907,1215 2.079,1216 2.056,1217 1.458,1218 2.062,1219 1.869,1220 1.811,1221 1.977,1222 2.011,1223 1.124,1224 2.005,1225 1.755,1226 1.712,1227 1.84,1228 1.934,1229 1.08,1230 1.917,1231 1.49,1232 1.417,1233 1.71,1234 1.726,1235 0.856,1236 1.722,1237 1.189,1238 1.125,1239 1.437,1240 1.428,1241 0.699,1242 1.431,1243 1.038,1244 0.954,1245 1.356,1246 1.327,1247 0.569,1248 1.353,1249 0.973,1250 0.882,1251 1.202,1252 1.226,1253 0.264,1254 1.224,1255 0.883,1256 0.839,1257 1.15,1258 1.194,1259 0.156,1260 1.192,1261 4.078,1263 5.407,1264 2.398,1265 6.938,1266 4.844,1267 8.561,1268 7.066,1269 10.232,1272 5.928,1275 6.112,1276 9.947,1277 6.4,1278 3.444,1281 0.644,1289 29.885,1290 78.259,1291 183.94,1292 223.291,1293 247.066,1294 247.066,1295 247.066,1296 42.522,1297 7.491,1298 101.88,1299 101.88,1300 23,1301 12.63,1302 4.087,1303 3.17,1304 37.841,1305 91,1306 97,1307 0.207,1308 186.462,1309 309.34,1310 446.728,1311 17222,1312 2.1,1313 18.096,1314 0.696,1315 0.58,1316 18.596,1317 15.077,1318 12.631,1319 0.436,1320 0.316,1321 8.709,1322 11.878,1323 8.543,1324 7.036,1325 12.92,1326 9.176,1327 11.418,1328 0.278,1329 0.173,1330 11.789,1331 7.104,1332 9.938,1333 0.177,1334 0.094,1335 10.367,1336 5.246,1337 8.196,1338 0.109,1339 0.049,1340 8.347,1341 3.641,1342 6.903,1343 0.07,1344 0.027,1345 7.097,1346 2.627,1347 0.317,1348 82.219,1349 0.226,1350 24.832,1351 0.59,1352 140,1353 384.579,1354 168.114,1355 407.525,1356 554.75,1357 380,1358 167,1359 397.961,1360 193.314,1361 411.634,1362 606.63,1363 388,1364 5.431}
{0 CHEMBL1241944,1 1.631,2 8,3 2.038,4 4.152,5 83.995,6 8.176,7 0.667,8 3.711,9 3.836,10 3.347,11 3.231,12 4.995,13 3.242,14 4.176,15 4.348,16 3.726,17 3.605,18 5.361,19 3.606,20 4.397,21 4.583,22 3.834,23 3.731,24 5.64,25 3.729,26 4.505,27 4.722,28 3.819,29 3.742,30 5.821,31 3.717,32 4.417,33 4.63,34 3.613,35 3.674,36 5.582,37 3.623,38 4.331,39 4.525,40 3.562,41 3.609,42 5.526,43 3.553,44 4.432,45 4.693,46 3.319,47 3.503,48 5.645,49 3.387,50 4.229,51 4.537,52 2.933,53 3.149,54 5.31,55 3.006,56 0.099,57 0.596,58 6.227,59 2.712,60 14.594,61 3.335,62 0.182,63 0.911,64 11.418,65 4.509,66 21.941,67 5.977,68 0.244,69 1.084,70 14.96,71 5.129,72 27.545,73 6.855,74 0.417,75 1.151,76 18.138,77 5.771,78 60.742,79 7.987,80 0.342,81 1.043,82 16.185,83 5.067,84 45.859,85 6.945,86 0.228,87 0.962,88 13.955,89 5.116,90 26.565,91 6.943,92 0.445,93 0.916,94 18.992,95 5.817,96 63.59,97 8.499,98 0.31,99 0.641,100 18.403,101 5.608,102 48.63,103 8.342,104 30,105 35,106 0.292,107 0.735,108 0.805,109 0.829,110 0.829,111 0.829,112 3.148,113 0.843,114 -3.81,115 -3.77,116 -3.58,118 41.7,119 2,126 1,138 3,139 3,140 1,142 1,143 1,144 1,153 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 8,172 1,173 1,175 3,178 6,180 1,181 1,182 6,186 2,188 4,191 2,192 9,194 3,195 4,197 2,199 3,201 1,204 7,206 1,208 3,211 3,213 2,215 5,218 1,220 3,223 4,225 3,227 1,228 3,231 2,232 1,233 1,234 1,235 2,237 1,239 1,245 2,247 2,251 2,254 1,255 1,264 614,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.671,271 13.663,272 8.336,273 14.95,274 11.738,275 11.738,276 11.738,277 11.738,278 11.738,279 8.616,280 10.273,281 3.803,282 12.246,283 3.539,284 1.067,285 0.674,286 0.542,287 0.542,288 0.542,289 3.822,292 1,293 1,294 1,295 371,296 2.828,299 43.076,300 115.366,303 82.187,307 1.182,308 25.227,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 48,320 176,321 4.76,322 4.071,323 7.039,324 4.302,325 3.338,326 4.732,327 2.035,328 12.087,329 3.219,330 4.283,331 3.375,332 6.197,333 3.833,334 2.858,335 3.941,337 9.078,338 2.783,339 3.842,340 2.923,341 6.004,342 3.498,343 2.542,344 3.229,346 8.342,347 2.428,348 3.744,349 2.663,350 5.697,351 3.308,352 2.344,353 3.14,355 7.397,356 2.256,357 3.277,358 2.393,359 4.82,360 2.684,361 1.743,362 2.298,364 4.818,365 1.637,366 3.025,367 1.821,368 4.502,369 2.491,370 1.542,371 2.133,373 4.244,374 1.458,375 2.956,376 1.674,377 4.148,378 2.416,379 1.461,380 2.043,382 3.648,383 1.389,384 2.735,385 1.524,386 3.86,387 2.023,388 1.077,389 1.581,391 2.764,392 1.016,393 2.501,394 1.076,395 3.493,396 1.803,397 0.836,398 1.138,400 2.067,401 0.806,402 2.122,403 0.858,404 2.952,405 1.507,406 0.56,407 0.939,409 0.985,410 0.528,411 1.262,412 0.451,413 2.597,414 0.672,415 -0.257,416 -0.353,417 -0.474,418 -0.237,419 1.057,420 -0.15,421 2.423,422 0.602,423 -0.311,424 -0.439,425 -0.695,426 -0.283,427 0.779,428 -0.351,429 2.265,430 0.344,431 -0.611,432 -0.824,433 -1.676,434 -0.58,435 0.61,436 -0.739,437 2.233,438 0.093,439 -0.846,440 -1,441 -2,442 -0.79,443 0.208,444 -0.891,445 2,447 -1,448 -1.15,449 -2.339,450 -1,451 10.233,452 0.465,453 0.648,454 0.029,455 32.5,456 1.477,457 18,458 0.818,459 14.5,460 0.659,461 15.189,462 0.69,463 22.767,464 0.632,465 22.888,466 1.04,467 6.188,468 0.281,469 4.336,470 0.197,471 0.208,473 0.43,478 0.944,479 1.195,480 0.744,481 0.951,482 0.855,483 0.838,484 0.675,485 1.051,486 0.619,487 0.887,488 0.478,489 0.765,490 1.079,491 1.215,492 0.854,493 0.986,494 0.729,495 0.89,496 0.915,497 0.944,498 0.926,499 0.926,500 0.777,501 0.922,502 1.162,503 1.03,504 1.223,505 1.017,506 0.97,507 1.095,508 0.926,509 1.312,510 1.172,511 1.349,512 0.764,513 1.309,514 0.843,515 0.865,516 1.195,517 1.097,518 0.82,519 1.186,520 0.932,521 0.753,522 0.798,523 0.873,524 0.996,525 0.843,526 4.5,527 0.012,528 3.111,529 2.167,530 1.847,531 0.889,532 0.566,533 0.386,534 0.204,535 0.066,536 4197,537 13302,538 2.017,539 38.9,541 4,543 1,544 3,546 6,549 1.652,550 1.833,551 2.976,552 1.114,553 1,554 1,556 1,558 58.701,559 1.631,560 4.103,561 4.496,562 4.628,563 4.628,564 4.628,565 2.461,566 4.278,567 4.429,568 3.1,569 716.165,570 7.646,571 7561.51,572 1,573 1,575 1,576 186.117,577 1.544,578 4.36,579 0.188,580 0.004,581 0.089,582 0.057,583 0.051,584 0.031,585 0.021,586 0.02,587 0.016,588 0.009,589 0.486,590 0.67,591 1,592 1.003,593 98.516,594 -0.096,595 -0.034,596 0.011,597 0.045,598 -0.13,599 0.044,600 0.109,601 0.038,602 0.223,603 0.108,604 0.082,605 0.171,606 -0.129,607 -0.154,608 0.033,609 -0.027,610 0.003,611 0.026,612 0.08,613 0.081,614 0.025,615 0.01,616 0.114,617 0.006,618 -0.234,619 0.008,620 -0.301,621 -0.078,622 -0.147,623 -0.172,624 -0.078,625 -0.288,626 -0.283,627 -0.372,628 -0.069,629 -0.364,630 0.12,631 0.034,632 -0.15,633 -0.128,634 0.057,635 -0.173,636 0.119,637 -0.043,638 0.396,639 0.177,640 0.118,641 0.307,642 1.761,643 3.89,644 0.682,645 15.355,646 1.013,647 1.135,648 2.578,649 6.646,650 0.682,651 3.219,652 3.584,653 3.912,654 4.22,655 4.466,656 4.605,657 4.682,658 4.771,659 4.754,660 4.673,661 4.839,662 0.665,663 294.35,664 3.219,665 4.779,666 5.659,667 6.569,668 7.475,669 8.393,670 9.308,671 10.23,672 11.148,673 12.072,674 16.7,678 1,682 1,683 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,699 1,708 1,713 1,716 36,718 17,719 1,720 24,722 38,723 15,724 11,725 3,726 3,728 3,729 4,732 2,738 1,739 1,740 11,741 3,756 1,757 1,760 14,761 6,762 3,763 7,769 6,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,827 22,828 1,832 1,837 1,842 1,846 1,848 1,850 2.8,852 1,858 12,859 7.2,860 4.861,861 2.109,863 3.331,864 1.479,865 0.959,866 3.438,867 10.293,868 3.555,869 4.216,870 4.926,871 5.6,872 6.166,873 6.597,874 7.044,875 7.484,876 7.791,877 8.095,878 1,879 38,880 8.051,881 3.451,882 7.977,883 14.919,884 12.094,885 2.477,886 54.5,890 129.482,891 87.044,892 115.967,894 42.683,897 87.044,898 172.165,899 115.967,900 17.65,902 61.326,903 123.006,904 53.155,905 2.328,906 117.711,908 129.482,909 203.011,910 42.683,913 58.856,914 113.31,917 63.577,918 89.2,919 50.234,921 129.482,922 158.651,923 87.044,926 129.482,927 15.744,928 56.474,929 16.602,930 156.874,931 129.482,932 158.651,933 87.044,935 0.59,936 0.363,937 0.201,938 0.111,939 18,940 9,941 0.053,942 2,943 1,944 1.133,945 3.238,946 180.985,947 0.133,948 15,949 96.107,954 14.307,955 5.286,956 2.295,957 1.279,958 156.874,959 6.164,960 12.838,964 1.683,965 1.762,966 75.581,967 375.176,968 34,980 36.473,981 40.86,983 0.315,984 0.794,985 0.87,986 0.895,987 0.895,988 0.895,989 4.812,990 1.077,991 5.68,992 3.648,993 4.263,994 4.902,995 2.228,996 6.567,997 4.182,998 6.073,999 0.836,1000 7.292,1001 2.764,1002 4.007,1003 4.856,1005 7.633,1006 3.895,1007 7.415,1008 0.56,1009 9.006,1010 2.067,1011 5.927,1012 7.24,1013 3.563,1014 10.773,1015 5.778,1016 8.797,1017 -0.257,1018 10.777,1019 0.985,1020 6.479,1021 8.05,1023 12.67,1024 6.298,1025 10.211,1026 -0.311,1027 12.584,1028 -0.474,1029 7.912,1030 9.912,1031 4.962,1032 15.354,1033 7.698,1034 11.651,1035 -0.611,1036 14.417,1037 -0.695,1038 8.817,1039 11.12,1041 17.595,1042 8.568,1043 13.111,1044 -0.846,1045 16.269,1046 -1.676,1047 10.077,1048 12.778,1049 6.378,1050 20.136,1051 9.796,1052 3.338,1053 -1,1054 18.135,1055 -2,1056 11.139,1057 14.171,1059 22.522,1060 10.821,1061 2.858,1062 12.087,1063 20.014,1064 -2.339,1065 12.341,1066 15.752,1067 7.797,1068 25.02,1069 11.99,1070 2.542,1071 9.078,1072 21.901,1073 4.732,1074 13.473,1075 17.229,1077 27.467,1078 13.085,1079 2.344,1080 8.342,1081 23.798,1082 3.941,1083 14.661,1084 18.784,1085 9.217,1086 29.956,1087 14.237,1088 1.743,1089 7.397,1090 25.701,1091 3.229,1092 15.825,1093 20.299,1095 32.428,1096 15.364,1097 1.542,1098 4.818,1099 27.61,1100 3.14,1101 17.012,1102 21.847,1103 10.638,1104 34.916,1105 16.515,1106 1.461,1107 4.244,1108 29.524,1109 2.298,1110 18.192,1111 23.38,1113 37.398,1114 17.658,1115 4232,1116 7644,1117 15.433,1118 24.534,1119 38.158,1120 39.784,1121 39.09,1122 36.647,1123 36.603,1124 50.349,1125 4.069,1126 110.861,1127 35.042,1128 5.43,1129 6.071,1130 6.58,1131 5.375,1132 5.338,1133 7.732,1134 4.069,1135 19.553,1136 5.219,1137 12.755,1138 1.59,1139 1.658,1140 1.629,1141 1.527,1142 1.525,1143 2.098,1144 0.17,1145 4.619,1146 1.46,1147 4.133,1148 4.18,1149 4.117,1150 3.999,1151 6.821,1152 4.02,1153 3.862,1154 3.888,1155 3.825,1156 3.76,1157 6.466,1158 3.775,1159 3.577,1160 3.654,1161 3.445,1162 3.407,1163 5.254,1164 3.4,1165 3.271,1166 3.334,1167 3.228,1168 3.099,1169 4.871,1170 3.127,1171 3.075,1172 3.167,1173 2.99,1174 2.814,1175 4.59,1176 2.852,1177 2.973,1178 3.069,1179 2.865,1180 2.746,1181 4.425,1182 2.749,1183 2.93,1184 3.009,1185 2.804,1186 2.672,1187 4.06,1188 2.709,1189 2.874,1190 2.97,1191 2.499,1192 2.618,1193 3.697,1194 2.57,1195 0.198,1196 0.17,1197 0.293,1198 0.179,1199 0.139,1200 4.76,1201 0.197,1202 4.071,1203 0.085,1204 7.039,1205 0.504,1206 4.302,1207 0.134,1208 3.338,1209 4.732,1210 2.035,1211 12.087,1212 3.219,1213 1.938,1214 1.92,1215 2.002,1216 2.039,1217 1.154,1218 2.022,1219 1.801,1220 1.754,1221 1.945,1222 1.987,1223 1.112,1224 1.974,1225 1.617,1226 1.553,1227 1.774,1228 1.814,1229 0.832,1230 1.813,1231 1.219,1232 1.171,1233 1.417,1234 1.433,1235 0.469,1236 1.402,1237 0.96,1238 0.877,1239 1.294,1240 1.282,1241 0.28,1242 1.308,1243 0.934,1244 0.839,1245 1.18,1246 1.239,1247 0.141,1248 1.26,1249 0.883,1250 0.804,1251 1.135,1252 1.148,1253 0.036,1254 1.131,1255 0.79,1256 0.721,1257 0.992,1258 1.122,1260 1.097,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.447,1268 7.081,1269 10.147,1271 3.982,1275 5.983,1276 9.89,1281 0.095,1287 8.903,1288 1.921,1289 23.95,1290 58.701,1291 147.711,1292 161.853,1293 166.608,1294 166.608,1295 166.608,1296 38.438,1297 6.961,1298 113.64,1299 113.64,1300 17,1301 12.579,1302 4.17,1303 3.459,1304 34.208,1305 62,1306 74,1307 0.278,1308 150.891,1309 249.31,1310 359.934,1311 8101,1313 15.853,1314 0.721,1315 0.552,1316 15.853,1317 12.147,1318 10.524,1319 0.439,1320 0.281,1321 6.646,1322 10.089,1323 6.436,1324 5.389,1325 10.524,1326 6.748,1327 9.676,1328 0.276,1329 0.148,1330 9.676,1331 5.188,1332 8.311,1333 0.17,1334 0.069,1335 8.311,1336 3.399,1337 7.137,1338 0.107,1339 0.035,1340 7.137,1341 2.331,1342 5.65,1343 0.066,1344 0.018,1345 5.65,1346 1.576,1347 0.415,1348 66.218,1349 0.255,1350 21.024,1351 0.832,1352 118,1353 361.687,1354 130.234,1355 360.635,1356 496.39,1357 334,1358 143,1359 378.732,1360 156.289,1361 384.946,1362 562.64,1363 361,1364 5.301}
{0 CHEMBL1241945,1 1.752,2 7.286,3 2.364,4 5.589,5 78.474,6 8.209,7 0.696,8 3.694,9 3.82,10 3.326,11 3.178,12 4.955,13 3.198,14 4.172,15 4.345,16 3.726,17 3.549,18 5.408,19 3.565,20 4.392,21 4.581,22 3.827,23 3.651,24 5.766,25 3.665,26 4.469,27 4.693,28 3.751,29 3.66,30 5.702,31 3.643,32 4.37,33 4.587,34 3.595,35 3.611,36 5.536,37 3.569,38 4.304,39 4.495,40 3.569,41 3.546,42 5.576,43 3.503,44 4.409,45 4.676,46 3.303,47 3.401,48 5.689,49 3.294,50 4.189,51 4.506,52 2.85,53 2.967,54 5.403,55 2.821,56 0.131,57 0.635,58 6.202,59 2.778,60 13.804,61 3.37,62 0.238,63 0.978,64 11.571,65 4.542,66 23.873,67 5.897,68 0.479,69 1.143,70 15.674,71 5.053,72 55.247,73 6.63,74 0.509,75 1.165,76 18.326,77 5.641,78 55.723,79 7.539,80 0.404,81 1.067,82 15.716,83 4.979,84 41.248,85 6.914,86 0.331,87 1.029,88 13.618,89 5.013,90 30.203,91 6.761,92 0.58,93 0.955,94 19.202,95 5.477,96 70.874,97 8.112,98 0.503,99 0.666,100 18.798,101 5.502,102 67.114,103 7.824,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.843,114 -4.52,115 -4.44,116 -4.18,118 40,119 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 1,175 2,178 4,180 1,181 1,182 5,186 2,188 3,191 2,192 7,194 3,195 3,197 2,199 3,201 1,204 5,208 2,211 2,213 2,215 4,218 1,220 4,223 4,225 3,231 1,235 2,243 2,244 1,246 1,257 2,264 530,265 13.776,266 13.776,267 13.776,268 13.776,269 13.776,270 11.84,271 12.029,272 7.818,273 14.123,274 11.301,275 11.301,276 11.301,277 11.301,278 11.301,279 8.368,280 8.729,281 3.657,282 11.905,283 3.378,284 1.097,285 0.693,286 0.557,287 0.557,288 0.557,289 3.777,292 1,293 1,294 1,295 323,296 2.646,299 39.793,300 107.231,303 76.128,307 1.061,308 28.965,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47,320 153,321 4.76,322 3.383,323 7.039,324 4.301,325 3.338,326 4.732,328 12.086,329 3.217,330 4.216,331 3.164,332 6.179,333 3.782,334 2.827,335 3.879,337 8.977,338 2.692,339 3.814,340 2.68,341 5.927,342 3.482,343 2.533,344 3.214,346 8.067,347 2.399,348 3.679,349 2.428,350 5.657,351 3.27,352 2.321,353 3.085,355 7.235,356 2.193,357 3.03,358 1.912,359 4.819,360 2.683,361 1.743,362 2.244,364 4.818,365 1.636,366 2.98,367 1.822,368 4.469,369 2.447,370 1.508,371 2.126,373 4.123,374 1.411,375 2.82,376 1.532,377 4.039,378 2.358,379 1.414,380 1.948,382 3.512,383 1.321,384 2.521,385 1.078,386 3.86,387 2.007,388 1.062,389 1.531,391 2.758,392 1.001,393 2.127,394 0.859,395 3.49,396 1.776,397 0.815,398 1.033,400 2.05,401 0.781,402 1.371,403 0.549,404 2.736,405 0.997,406 0.103,407 0.124,409 0.227,410 0.09,411 1.058,412 -0.125,413 2.427,414 0.616,415 -0.294,416 -0.374,417 -0.685,418 -0.267,419 0.781,420 -0.244,421 2.375,422 0.336,423 -0.595,424 -0.77,425 -1.604,426 -0.539,427 0.621,428 -0.741,429 2.256,430 0.119,431 -0.815,432 -1,433 -2,434 -0.755,435 0.227,436 -0.897,437 2.131,439 -1,440 -1.114,441 -2.268,442 -0.995,444 -1,445 1.805,446 -0.12,447 -1.062,448 -1.285,449 -3.043,450 -1,451 9.619,452 0.458,453 0.686,454 0.033,455 29,456 1.381,457 15,458 0.714,459 14,460 0.667,461 15.117,462 0.72,463 22.781,464 0.651,465 20.72,466 0.987,467 5.676,468 0.27,469 4.31,470 0.205,471 0.21,473 0.457,477 1,478 0.778,479 1.115,480 0.718,481 0.996,482 0.792,483 0.871,484 0.655,485 1.063,486 0.599,487 0.947,488 0.557,489 0.793,490 0.943,491 1.18,492 0.857,493 0.977,494 0.765,495 0.896,496 0.966,497 0.93,498 0.959,499 0.875,500 0.912,501 0.899,502 0.86,503 0.964,504 1.101,505 1.021,506 0.678,507 1.083,508 0.751,509 1.24,510 1.11,511 1.392,512 0.784,513 1.358,514 0.754,515 0.809,516 1.14,517 1.124,518 0.875,519 1.211,520 0.953,521 0.953,522 0.817,523 0.936,524 1.113,525 0.884,526 4.5,528 3.111,529 2.042,530 1.807,531 0.827,532 0.566,533 0.386,534 0.148,535 0.016,536 3654,537 12011,538 2.018,539 40,541 4,543 1,544 3,546 6,549 1.64,550 1.826,551 2.878,552 1.156,554 1,556 1,558 61.309,559 1.752,560 4.032,561 4.436,562 4.572,563 4.572,564 4.572,565 2.244,566 4.202,567 4.364,568 2.982,569 626.115,570 7.519,571 6413.99,572 1,573 1,575 1,576 179.525,577 1.545,578 4.289,579 0.196,581 0.092,582 0.057,583 0.055,584 0.03,585 0.022,586 0.023,587 0.015,588 0.005,589 0.493,590 0.5,591 1,592 0.911,593 91.933,594 -0.086,595 -0.056,596 0.01,597 0.034,598 -0.147,599 0.044,600 0.05,601 -0.058,602 0.22,603 0.055,604 0.063,605 0.155,607 -0.137,608 0.034,609 -0.017,610 0.116,611 0.019,612 -0.074,613 0.053,614 -0.023,615 0.059,616 -0.08,617 0.034,618 -0.117,619 0.013,620 -0.217,621 -0.071,622 -0.031,623 -0.141,624 0.015,625 -0.241,626 -0.254,627 -0.409,628 -0.029,629 -0.411,630 0.152,631 0.071,632 -0.111,633 -0.186,634 0.051,635 -0.213,636 0.231,637 -0.086,638 0.405,639 0.089,640 0.193,641 0.248,642 2.379,643 5.584,644 0.714,645 13.56,646 1.022,647 1.146,648 3.287,649 10.808,650 0.664,651 3.178,652 3.555,653 3.871,654 4.174,655 4.443,656 4.564,657 4.625,658 4.71,659 4.644,660 4.511,661 4.558,662 0.653,663 287.33,664 3.178,665 4.745,666 5.624,667 6.535,668 7.441,669 8.36,670 9.275,671 10.198,672 11.117,673 12.041,674 14.3,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 35,718 16,719 1,720 23,722 37,723 14,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,758 1,760 14,761 6,762 3,763 7,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,825 1,827 21,828 1,832 1,837 1,849 1,850 2.9,852 1,858 11.5,859 6.893,860 4.528,861 2.033,863 3.139,864 1.457,865 0.968,866 3.26,867 10.002,868 3.466,869 4.171,870 4.859,871 5.531,872 6.123,873 6.526,874 6.946,875 7.39,876 7.628,877 7.866,878 0.8,879 36,880 7.745,881 3.389,882 8.071,883 14.232,884 11.62,885 2.571,886 54,890 129.482,891 76.377,892 84.908,894 42.683,895 14.96,897 76.377,898 172.165,899 99.868,900 17.65,902 61.326,903 106.404,904 28.031,905 17.288,906 117.711,908 129.482,909 161.285,910 57.643,913 73.816,914 113.31,917 32.518,918 78.533,919 50.234,921 144.442,922 127.591,923 76.377,926 129.482,927 21.68,928 56.474,930 140.775,931 129.482,932 142.551,933 76.377,935 0.599,936 0.36,937 0.193,938 0.114,939 18,940 9,941 0.054,942 2,943 1,944 1.133,945 3.144,946 170.795,947 0.133,948 15,949 90.239,954 13.773,955 4.971,956 2.216,957 1.178,958 140.775,959 5.454,960 12.668,964 0.174,965 1.716,966 75.581,967 348.411,968 31,980 35.767,981 40.117,983 0.342,984 0.786,985 0.865,986 0.891,987 0.891,988 0.891,989 4.718,990 1.062,991 5.652,992 3.512,993 4.234,994 4.856,996 6.538,997 4.135,998 5.979,999 0.815,1000 7.266,1001 2.758,1002 4.007,1003 4.856,1005 7.597,1006 3.858,1007 7.325,1008 0.103,1009 8.98,1010 2.05,1011 5.9,1012 7.201,1014 10.742,1015 5.719,1016 8.712,1017 -0.294,1018 10.751,1019 0.227,1020 6.463,1021 8.029,1023 12.635,1024 6.235,1025 10.132,1026 -0.595,1027 12.558,1028 -0.685,1029 7.886,1030 9.879,1032 15.326,1033 7.631,1034 11.577,1035 -0.815,1036 14.391,1037 -1.604,1038 8.796,1039 11.093,1041 17.569,1042 8.498,1043 13.041,1044 -1,1045 16.242,1046 -2,1047 10.054,1048 12.75,1050 20.115,1051 9.726,1052 3.338,1053 -1.062,1054 18.109,1055 -2.268,1056 11.117,1057 14.146,1059 22.504,1060 10.751,1061 2.827,1062 12.086,1063 19.987,1064 -3.043,1065 12.32,1066 15.729,1068 25.007,1069 11.922,1070 2.533,1071 8.977,1072 21.876,1073 4.732,1074 13.453,1075 17.208,1077 27.456,1078 13.019,1079 2.321,1080 8.067,1081 23.773,1082 3.879,1083 14.641,1084 18.765,1086 29.947,1087 14.175,1088 1.743,1089 7.235,1090 25.677,1091 3.214,1092 15.807,1093 20.281,1095 32.421,1096 15.305,1097 1.508,1098 4.818,1099 27.587,1100 3.085,1101 16.995,1102 21.831,1104 34.91,1105 16.459,1106 1.414,1107 4.123,1108 29.503,1109 2.244,1110 18.176,1111 23.366,1113 37.394,1114 17.605,1115 3681,1116 6793,1117 14.74,1118 23.228,1119 35.678,1120 36.059,1121 37.742,1122 35.34,1123 35.327,1124 47.83,1126 107.705,1127 33.479,1128 5.427,1129 5.383,1130 6.567,1131 5.374,1132 5.338,1133 7.732,1135 19.551,1136 5.217,1137 12.257,1138 1.551,1139 1.568,1140 1.641,1141 1.537,1142 1.536,1143 2.08,1145 4.683,1146 1.456,1147 4.132,1148 4.179,1149 4.116,1150 3.992,1151 8.201,1152 4.016,1153 3.845,1154 3.871,1155 3.808,1156 3.729,1157 6.465,1158 3.745,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 5.254,1164 3.399,1165 3.215,1166 3.291,1167 3.14,1168 2.985,1169 4.87,1170 3.02,1171 3.009,1172 3.115,1173 2.892,1174 2.733,1175 4.573,1176 2.738,1177 2.897,1178 3.009,1179 2.807,1180 2.694,1181 4.395,1182 2.732,1183 2.874,1184 2.956,1185 2.718,1186 2.618,1187 4.05,1188 2.617,1189 2.834,1190 2.883,1191 2.499,1192 2.595,1193 3.686,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.76,1201 0.206,1202 3.383,1204 7.039,1205 0.525,1206 4.301,1207 0.14,1208 3.338,1209 4.732,1211 12.086,1212 3.217,1213 1.922,1214 1.903,1215 1.986,1216 2.038,1217 1.152,1218 2.017,1219 1.793,1220 1.745,1221 1.944,1222 1.982,1223 1.098,1224 1.968,1225 1.608,1226 1.545,1227 1.767,1228 1.81,1229 0.821,1230 1.808,1231 1.141,1232 1.087,1233 1.417,1234 1.411,1235 0.469,1236 1.377,1237 0.934,1238 0.804,1239 1.257,1240 1.239,1241 0.255,1242 1.308,1243 0.879,1244 0.804,1245 1.155,1246 1.238,1247 0.131,1248 1.217,1249 0.856,1250 0.785,1251 1.084,1252 1.081,1253 0.033,1254 1.077,1255 0.761,1256 0.673,1257 0.99,1258 1.068,1260 1.059,1261 3.85,1263 5.209,1264 2.398,1265 6.767,1266 4.844,1267 8.418,1268 7.081,1269 10.117,1271 3.928,1273 13.584,1275 5.928,1276 9.302,1281 0.067,1289 22.839,1290 61.309,1291 141.119,1292 155.26,1293 160.015,1294 160.015,1295 160.015,1296 39.742,1297 6.863,1298 89.85,1299 89.85,1300 17,1301 12.548,1302 4.087,1303 3.17,1304 31.867,1305 56,1306 59,1307 0.289,1308 141.557,1309 232.36,1310 337.159,1311 7124,1312 2.9,1313 15.146,1314 0.721,1315 0.551,1316 14.276,1317 11.578,1318 9.986,1319 0.434,1320 0.281,1321 6.344,1322 9.484,1323 6.163,1324 5.141,1325 9.575,1326 6.463,1327 9.485,1328 0.279,1329 0.147,1330 8.977,1331 5.011,1332 8.038,1333 0.171,1334 0.069,1335 7.459,1336 3.228,1337 6.619,1338 0.103,1339 0.035,1340 6.355,1341 2.212,1342 5.55,1343 0.066,1344 0.018,1345 5.373,1346 1.521,1347 0.427,1348 63.502,1349 0.26,1350 20.069,1351 0.881,1352 114,1353 404.153,1354 129.371,1355 368.887,1356 501.13,1357 342,1358 138,1359 378.657,1360 154.309,1361 375.746,1362 553.84,1363 353,1364 6.202}
{0 CHEMBL1241946,1 1.565,2 7.364,3 2.166,4 4.692,5 86.966,6 7.574,7 0.667,8 3.767,9 3.901,10 3.349,11 3.297,12 4.938,13 3.285,14 4.268,15 4.457,16 3.731,17 3.666,18 5.39,19 3.646,20 4.463,21 4.656,22 3.81,23 3.785,24 5.627,25 3.759,26 4.557,27 4.776,28 3.81,29 3.82,30 5.71,31 3.772,32 4.526,33 4.747,34 3.668,35 3.79,36 5.585,37 3.719,38 4.458,39 4.663,40 3.601,41 3.728,42 5.606,43 3.647,44 4.533,45 4.803,46 3.346,47 3.618,48 5.565,49 3.488,50 4.356,51 4.66,52 3.035,53 3.341,54 5.412,55 3.167,56 0.053,57 0.623,58 7.654,59 3.186,60 8.759,61 4.309,62 0.154,63 0.961,64 14.254,65 5.264,66 19.41,67 7.416,68 0.219,69 1.125,70 17.853,71 5.792,72 31.238,73 8.213,74 0.329,75 1.205,76 20.357,77 6.594,78 40.39,79 9.452,80 0.225,81 1.144,82 19.632,83 6.336,84 30.407,85 9.247,86 0.2,87 1.077,88 17.766,89 6.124,90 34.098,91 8.862,92 0.313,93 1.031,94 21.554,95 6.425,96 41.767,97 9.79,98 0.33,99 0.762,100 19.411,101 6.242,102 52.662,103 9.542,104 30,105 35,106 0.277,107 0.66,108 0.781,109 0.817,110 0.826,111 0.826,112 3.148,113 0.886,114 -4.55,115 -4.47,116 -4.21,118 41,119 3,126 1,138 4,139 3,142 1,143 1,144 1,152 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 9,172 1,173 1,175 1,178 9,180 1,181 1,182 7,188 7,191 2,192 10,194 3,195 3,197 1,199 6,201 1,204 8,208 2,211 4,213 2,214 1,215 9,220 4,223 5,225 4,227 1,228 3,233 1,235 4,237 1,239 2,240 2,242 1,243 1,245 1,247 2,249 1,252 2,260 2,264 614,265 14.483,266 14.483,267 14.483,268 14.483,269 14.483,270 12.508,271 11.915,272 8.328,273 14.699,274 11.818,275 11.818,276 11.818,277 11.818,278 11.818,279 8.751,280 9.342,281 3.889,282 12.167,283 3.72,284 1.56,285 0.879,286 0.673,287 0.622,288 0.622,289 3.822,292 1,293 1,294 1,295 340,296 3.082,299 41.756,300 114.432,303 79.997,307 1.091,308 21.423,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 47.5,320 162,321 4.759,322 3.549,323 7.039,324 4.301,325 3.337,326 4.731,327 1.277,328 12.086,329 3.22,330 4.197,331 3.368,332 6.18,333 3.822,334 2.817,335 3.809,337 9.007,338 2.832,339 3.824,340 2.719,341 5.945,342 3.508,343 2.541,344 3.215,346 8.168,347 2.455,348 3.723,349 2.533,350 5.678,351 3.337,352 2.359,353 3.112,355 7.318,356 2.296,357 3.133,358 1.972,359 4.82,360 2.691,361 1.746,362 2.398,364 4.818,365 1.65,366 3.019,367 1.809,368 4.501,369 2.611,370 1.635,371 2.139,373 4.265,374 1.586,375 2.785,376 1.445,377 3.888,378 2.265,379 1.294,380 1.892,382 2.997,383 1.25,384 2.531,385 1.184,386 3.719,387 2.027,388 1,389 1.476,391 2.629,392 1.023,393 2.456,394 1,395 3.468,396 1.964,397 1,398 1.433,400 2.323,401 0.961,402 2.111,403 0.814,404 3.432,405 1.736,406 0.775,407 1.005,409 1.972,410 0.743,411 1.062,412 0.314,413 2.605,414 0.631,415 -0.286,416 -0.363,417 -0.667,418 -0.261,419 0.864,420 -0.151,421 2.417,422 0.412,423 -0.57,424 -0.779,425 -1.452,426 -0.557,427 0.707,428 -0.552,429 2.252,430 0.23,431 -0.77,432 -1,433 -2,434 -0.757,435 0.562,436 -0.716,437 2,438 0.093,439 -0.88,440 -1.02,441 -2,442 -0.837,443 0.409,444 -0.82,445 2,446 0.064,447 -1,448 -1.162,449 -2.153,450 -1,451 10.333,452 0.47,453 0.686,454 0.031,455 30.25,456 1.375,457 16,458 0.727,459 14.25,460 0.648,461 16.6,462 0.755,463 23.267,464 0.597,465 21.543,466 0.979,467 5.855,468 0.266,469 4.631,470 0.211,471 0.216,473 0.426,478 0.726,479 1.26,480 0.77,481 1.049,482 0.742,483 0.933,484 0.669,485 1.054,486 0.649,487 0.887,488 0.541,489 0.781,490 1.243,491 1.182,492 0.939,493 0.95,494 1.087,495 0.905,496 0.987,497 0.954,498 0.955,499 0.933,500 0.935,501 0.936,502 1.115,503 1.095,504 1.115,505 1.042,506 0.82,507 1.06,508 0.953,509 1.33,510 1.186,511 1.298,512 0.884,513 1.277,514 1.023,515 0.963,516 1.189,517 1.061,518 1.026,519 1.121,520 0.539,521 0.782,522 0.85,523 0.946,524 0.606,525 0.95,526 4.5,528 2.889,529 2.104,530 1.696,531 0.896,532 0.478,533 0.434,534 0.193,535 0.031,536 4149,537 11489,538 2.017,539 43.6,541 5,543 1,544 2,545 3,546 6,549 1.653,550 1.833,551 2.921,552 0.348,553 1,554 1,556 1,558 61.034,559 1.565,560 3.726,561 4.407,562 4.612,563 4.663,564 4.663,565 2.244,566 4.096,567 4.432,568 3.038,569 701.886,570 7.655,571 7486.84,572 1,573 1,575 1,576 206.131,577 1.544,578 4.36,579 0.188,581 0.083,582 0.057,583 0.047,584 0.029,585 0.017,586 0.022,587 0.014,588 0.005,589 0.461,590 0.5,591 1,592 1.003,593 98.298,594 0.01,595 -0.057,596 0.044,597 -0.014,598 -0.118,599 0.013,600 0.153,601 0.047,602 0.247,603 0.116,604 0.112,605 0.181,606 -0.156,607 -0.095,608 -0.011,609 0.013,610 -0.077,611 0.02,612 0.031,613 0.109,614 -0.006,615 0.015,616 -0.025,617 -0.004,618 -0.21,619 -0.047,620 -0.181,621 -0.079,622 -0.072,623 -0.112,624 -0.079,625 -0.276,626 -0.273,627 -0.318,628 -0.04,629 -0.325,630 -0.096,631 -0.015,632 -0.19,633 -0.122,634 -0.14,635 -0.154,636 0.352,637 0.02,638 0.203,639 0.045,640 0.361,641 0.095,642 1.654,643 4.598,644 0.682,645 14.818,646 1.004,647 1.133,648 3.319,649 11.013,650 0.668,651 3.219,652 3.584,653 3.892,654 4.205,655 4.466,656 4.585,657 4.673,658 4.745,659 4.7,660 4.635,661 4.753,662 0.641,663 295.38,664 3.219,665 4.779,666 5.652,667 6.561,668 7.463,669 8.38,670 9.293,671 10.213,672 11.131,673 12.053,674 12.8,678 1,682 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,702 1,708 1,716 39,718 17,719 1,720 24,722 41,723 16,724 11,725 2,726 4,727 1,728 3,729 4,732 3,738 1,740 12,741 4,744 1,749 1,753 1,756 1,757 1,760 17,761 5,762 2,763 6,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 3,827 22,828 1,837 1,850 2.6,853 1,858 12,859 8.05,860 4.778,861 2.35,863 3.267,864 1.469,865 0.983,866 3.572,867 10.226,868 3.526,869 4.201,870 4.882,871 5.558,872 6.145,873 6.548,874 6.996,875 7.418,876 7.676,877 7.966,878 0.8,879 37,880 8.089,881 3.426,882 7.818,883 15.262,884 12.37,885 2.318,886 51,890 176.567,891 93.877,892 84.908,894 25.145,897 93.877,898 201.711,899 84.908,900 26.476,902 70.802,903 93.999,904 22.096,905 2.328,906 164.795,908 176.567,909 178.785,910 25.145,913 105.94,914 95.772,917 41.343,918 87.208,919 50.234,921 176.567,922 110.053,923 93.877,926 176.567,927 20.878,928 74.776,930 108.276,931 176.567,932 110.053,933 93.877,935 0.593,936 0.352,937 0.194,938 0.114,939 18,940 9,941 0.073,942 3,943 1,944 1.133,945 3.233,946 181.061,947 0.133,948 15,949 96.107,954 14.519,955 5.412,956 2.468,957 1.419,958 108.276,959 8.792,960 13.023,964 2.559,965 1.823,966 32.897,967 380.496,968 33,973 11.598,977 0.013,980 39.138,981 44.192,983 0.296,984 0.705,985 0.834,986 0.873,987 0.882,988 0.882,989 4.771,990 1,991 5.673,992 2.997,993 4.263,994 4.887,995 1.45,996 6.553,997 4.209,998 6.021,999 1,1000 7.28,1001 2.629,1002 4.007,1003 4.844,1005 7.609,1006 3.943,1007 7.359,1008 0.775,1009 8.99,1010 2.323,1011 5.916,1012 7.204,1013 1.845,1014 10.752,1015 5.811,1016 8.738,1017 -0.286,1018 10.758,1019 1.972,1020 6.463,1021 8.009,1023 12.649,1024 6.343,1025 10.151,1026 -0.57,1027 12.564,1028 -0.667,1029 7.896,1030 9.868,1031 2.271,1032 15.335,1033 7.739,1034 11.59,1035 -0.77,1036 14.397,1037 -1.452,1038 8.796,1039 11.072,1041 17.579,1042 8.614,1043 13.051,1044 -0.88,1045 16.248,1046 -2,1047 10.057,1048 12.733,1049 2.72,1050 20.121,1051 9.841,1052 3.337,1053 -1,1054 18.115,1055 -2,1056 11.116,1057 14.125,1059 22.511,1060 10.867,1061 2.817,1062 12.086,1063 19.993,1064 -2.153,1065 12.319,1066 15.71,1067 3.184,1068 25.011,1069 12.034,1070 2.541,1071 9.007,1072 21.882,1073 4.731,1074 13.45,1075 17.189,1077 27.46,1078 13.128,1079 2.359,1080 8.168,1081 23.778,1082 3.809,1083 14.638,1084 18.748,1085 3.658,1086 29.95,1087 14.279,1088 1.746,1089 7.318,1090 25.682,1091 3.215,1092 15.803,1093 20.265,1095 32.423,1096 15.404,1097 1.635,1098 4.818,1099 27.592,1100 3.112,1101 16.99,1102 21.816,1103 4.138,1104 34.912,1105 16.554,1106 1.294,1107 4.265,1108 29.508,1109 2.398,1110 18.171,1111 23.352,1113 37.396,1114 17.695,1115 4185,1116 7073,1117 15.433,1118 26.051,1119 37.577,1120 37.857,1121 39.007,1122 37.022,1123 37.01,1124 50.422,1125 2.555,1126 111.166,1127 36.031,1128 5.445,1129 5.549,1130 6.583,1131 5.374,1132 5.337,1133 7.731,1134 2.555,1135 19.553,1136 5.22,1137 12.746,1138 1.566,1139 1.577,1140 1.625,1141 1.543,1142 1.542,1143 2.101,1144 0.106,1145 4.632,1146 1.501,1147 4.135,1148 4.181,1149 4.117,1150 4.003,1151 7.428,1152 4.023,1153 3.873,1154 3.902,1155 3.821,1156 3.77,1157 5.255,1158 3.782,1159 3.577,1160 3.655,1161 3.445,1162 3.408,1163 4.879,1164 3.401,1165 3.421,1166 3.465,1167 3.32,1168 3.242,1169 4.675,1170 3.252,1171 3.18,1172 3.268,1173 3.072,1174 2.959,1175 4.47,1176 2.981,1177 2.999,1178 3.109,1179 2.877,1180 2.694,1181 4.073,1182 2.73,1183 2.874,1184 3.009,1185 2.632,1186 2.638,1187 3.79,1188 2.625,1189 2.79,1190 2.867,1191 2.534,1192 2.618,1193 3.71,1194 2.57,1195 0.198,1196 0.148,1197 0.293,1198 0.179,1199 0.139,1200 4.759,1201 0.197,1202 3.549,1203 0.053,1204 7.039,1205 0.504,1206 4.301,1207 0.134,1208 3.337,1209 4.731,1210 1.277,1211 12.086,1212 3.22,1213 1.952,1214 1.933,1215 2.037,1216 2.044,1217 1.165,1218 2.036,1219 1.806,1220 1.759,1221 1.947,1222 1.997,1223 1.134,1224 1.982,1225 1.622,1226 1.558,1227 1.788,1228 1.823,1229 0.861,1230 1.823,1231 1.386,1232 1.337,1233 1.654,1234 1.603,1235 0.682,1236 1.618,1237 1.127,1238 1.06,1239 1.417,1240 1.391,1241 0.469,1242 1.369,1243 0.934,1244 0.804,1245 1.275,1246 1.239,1247 0.299,1248 1.308,1249 0.88,1250 0.785,1251 1.167,1252 1.216,1253 0.172,1254 1.21,1255 0.799,1256 0.724,1257 1.093,1258 1.063,1259 0.041,1260 1.059,1261 3.892,1263 5.242,1264 2.398,1265 6.79,1266 4.844,1267 8.431,1268 7.081,1269 10.124,1271 5.6,1275 6.034,1281 0.14,1289 24.983,1290 61.034,1291 145.302,1292 171.866,1293 179.866,1294 181.866,1295 181.866,1296 35.468,1297 6.959,1298 86.69,1299 86.69,1300 17,1301 12.561,1302 4.17,1303 3.322,1304 34.138,1305 61,1306 60,1307 0.282,1308 156.616,1309 258.25,1310 373.904,1311 8177,1313 15.853,1314 0.721,1315 0.579,1316 15.853,1317 12.739,1318 10.486,1319 0.437,1320 0.295,1321 6.995,1322 10.086,1323 6.714,1324 5.643,1325 10.486,1326 7.088,1327 9.888,1328 0.283,1329 0.157,1330 9.888,1331 5.481,1332 8.097,1333 0.169,1334 0.074,1335 8.097,1336 3.55,1337 6.902,1338 0.105,1339 0.037,1340 6.902,1341 2.443,1342 5.762,1343 0.067,1344 0.02,1345 5.762,1346 1.686,1347 0.418,1348 65.636,1349 0.255,1350 20.958,1351 0.85,1352 118,1353 341.628,1354 129.54,1355 336.755,1356 467.9,1357 314,1358 142,1359 358.929,1360 154.291,1361 363.968,1362 533.69,1363 342,1364 5.42}
{0 CHEMBL1241947,1 1.739,2 7.286,3 2.917,4 8.506,5 86.907,6 8.372,7 0.652,8 3.702,9 3.826,10 3.423,11 3.28,12 4.888,13 3.241,14 4.203,15 4.384,16 3.845,17 3.677,18 5.302,19 3.617,20 4.342,21 4.519,22 3.919,23 3.751,24 5.473,25 3.693,26 4.485,27 4.695,28 3.885,29 3.788,30 5.643,31 3.707,32 4.391,33 4.594,34 3.757,35 3.695,36 5.486,37 3.61,38 4.29,39 4.469,40 3.665,41 3.667,42 5.454,43 3.552,44 4.393,45 4.638,46 3.25,47 3.538,48 5.433,49 3.369,50 4.182,51 4.481,52 2.793,53 3.138,54 5.318,55 2.964,56 0.067,57 0.601,58 6.743,59 3.158,60 9.027,61 3.803,62 0.197,63 0.946,64 14.165,65 5.551,66 22.196,67 6.778,68 0.221,69 1.084,70 18.367,71 5.975,72 16.2,73 7.189,74 0.333,75 1.18,76 22.207,77 7.17,78 32.469,79 8.882,80 0.318,81 1.05,82 18.614,83 5.644,84 37.587,85 7.278,86 0.199,87 0.987,88 17.165,89 6.223,90 25.19,91 7.374,92 0.324,93 0.953,94 24.673,95 7.222,96 31.998,97 8.777,98 0.37,99 0.653,100 16.686,101 5.092,102 56.47,103 7.403,104 30,105 34,106 0.314,107 0.703,108 0.812,109 0.812,110 0.812,111 0.812,112 3.105,113 0.964,114 -4.39,115 -4.32,116 -4.07,118 38.9,119 3,126 1,138 1,139 2,142 1,143 1,144 1,148 2,150 1,156 1,158 1,159 1,160 1,161 1,167 2,170 2,171 6,172 1,173 1,175 1,178 4,180 1,181 1,182 6,188 3,191 2,192 7,194 3,195 3,199 3,204 6,208 2,211 1,213 2,214 1,215 6,220 3,223 4,225 3,227 1,228 2,233 1,235 2,237 1,239 2,242 1,243 1,247 2,252 2,264 532,265 13.939,266 13.939,267 13.939,268 13.939,269 13.939,270 12.132,271 12.558,272 7.894,273 14.344,274 11.255,275 11.255,276 11.255,277 11.255,278 11.255,279 8.364,280 9.753,281 3.609,282 11.95,283 3.431,284 1.277,285 0.674,286 0.674,287 0.674,288 0.674,289 3.775,292 1,293 1,294 1,295 322,296 2.828,299 88.764,300 50.581,303 76.972,307 1.061,308 20.275,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 45.5,320 153,321 4.765,322 3.386,323 7.041,324 4.3,325 3.345,326 4.736,328 12.097,329 3.193,330 4.306,331 3.136,332 6.262,333 3.847,334 2.913,335 3.999,337 9.371,338 2.716,339 3.807,340 2.706,341 6.004,342 3.478,343 2.526,344 3.207,346 8.28,347 2.402,348 3.603,349 2.581,350 5.623,351 3.193,352 2.247,353 2.974,355 7.127,356 2.112,357 3.024,358 2.232,359 4.819,360 2.681,361 1.741,362 2.171,364 4.817,365 1.633,366 2.935,367 1.816,368 4.408,369 2.428,370 1.461,371 2.093,373 3.918,374 1.404,375 2.776,376 1.457,377 4.157,378 2.293,379 1.368,380 1.83,382 3.552,383 1.245,384 2.467,385 1.221,386 3.853,387 1.958,388 1.019,389 1.451,391 2.715,392 0.95,393 2.134,394 1.006,395 3.481,396 1.717,397 0.781,398 1.007,400 1.989,401 0.724,402 2.055,403 0.81,404 2.727,405 1.353,406 0.317,407 0.532,409 0.48,410 0.314,411 1.059,412 -0.153,413 2.59,414 0.621,415 -0.292,416 -0.372,417 -0.68,418 -0.266,419 0.701,420 -0.27,421 2.416,422 0.343,423 -0.634,424 -0.782,425 -1.438,426 -0.608,427 0.618,428 -0.719,429 2.252,430 0.168,431 -0.767,432 -1,433 -2,434 -0.711,435 0.319,436 -0.879,437 2,439 -1,440 -1.067,441 -2.155,442 -0.934,443 0.002,444 -1,445 1.684,446 -0.065,447 -1,448 -1.231,449 -2.95,450 -1,451 10.167,452 0.484,453 0.648,454 0.031,455 27.75,456 1.321,457 14,458 0.667,459 13.75,460 0.655,461 17.463,462 0.832,463 22.233,464 0.618,465 18.231,466 0.868,467 5.19,468 0.247,469 4.834,470 0.23,471 0.22,473 0.433,478 0.738,479 1.188,480 0.716,481 0.899,482 0.703,483 0.873,484 0.718,485 0.923,486 0.667,487 0.713,488 0.589,489 0.666,490 0.92,491 1.268,492 1.006,493 1.113,494 0.628,495 0.932,496 0.848,497 1.008,498 1.036,499 1.06,500 0.723,501 0.963,502 1.346,503 1.076,504 0.988,505 0.937,506 1.263,507 1.003,508 0.907,509 1.348,510 1.328,511 1.359,512 0.755,513 1.305,514 1.058,515 1.092,516 1.609,517 1.432,518 0.967,519 1.317,520 0.787,521 0.628,522 0.751,523 0.735,524 0.892,525 1.003,526 4.5,528 2.889,529 2.396,530 1.768,531 0.649,532 0.697,533 0.358,534 0.103,535 0.016,536 3619,537 10985,538 2.018,539 41.7,540 3,541 2,543 2,544 2,546 6,549 1.64,550 1.826,551 2.877,552 0.425,553 1,554 1,556 1,558 62.601,559 1.739,560 3.893,561 4.496,562 4.496,563 4.496,564 4.496,565 2.244,566 4.107,567 4.363,568 2.982,569 626.199,570 7.52,571 6421.92,572 1,573 1,574 1,575 1,576 186.117,577 1.545,578 4.289,579 0.196,581 0.085,582 0.068,583 0.052,584 0.023,585 0.027,586 0.021,587 0.01,588 0.005,589 0.488,590 0.33,591 1,592 1.025,593 91.94,594 -0.013,595 -0.03,596 0.059,597 0.047,598 -0.086,599 0.029,600 0.102,601 0.159,602 0.261,603 0.28,604 0.059,605 0.284,606 -0.051,607 -0.148,608 0.022,609 -0.078,610 -0.001,611 -0.004,612 0.085,613 0.045,614 -0.016,615 -0.061,616 0.065,617 -0.018,618 -0.275,619 -0.048,620 -0.07,621 -0.007,622 -0.22,623 -0.084,624 -0.096,625 -0.26,626 -0.283,627 -0.294,628 -0.027,629 -0.354,630 -0.146,631 -0.116,632 -0.439,633 -0.345,634 -0.097,635 -0.315,636 0.232,637 0.164,638 0.039,639 0.05,640 0.248,641 -0.004,642 1.263,643 4.051,644 0.667,645 13.746,646 1.009,647 1.13,648 3.159,649 9.976,650 0.693,651 3.178,652 3.555,653 3.892,654 4.22,655 4.431,656 4.585,657 4.673,658 4.779,659 4.663,660 4.454,661 4.562,662 0.657,663 301.41,664 3.178,665 4.745,666 5.631,667 6.55,668 7.462,669 8.388,670 9.31,671 10.238,672 11.164,673 12.093,674 13.9,678 1,682 1,684 3,689 2,690 2,691 3,694 1,695 5,696 1,697 15,698 1,708 1,716 36,718 16,720 23,722 38,723 14,724 9,727 1,728 3,729 4,732 3,738 1,740 10,741 4,744 1,749 1,751 1,756 1,757 1,760 15,761 5,762 2,763 7,764 1,769 5,775 0.667,776 1,785 1,788 1,793 2,794 1,797 1,819 2,821 1,823 3,827 21,828 1,837 1,845 1,850 2.8,853 1,858 11.5,859 7.55,860 4.611,861 2.141,863 3.023,864 1.441,865 0.988,866 3.496,867 9.884,868 3.481,869 4.167,870 4.879,871 5.567,872 6.076,873 6.54,874 6.978,875 7.429,876 7.623,877 7.802,878 0.8,879 35,880 7.71,881 3.274,882 7.825,883 14.587,884 11.941,885 2.325,886 48.833,890 153.024,891 102.548,892 84.908,894 25.145,896 31.278,897 71.27,898 178.169,899 84.908,900 26.476,902 42.373,903 112.061,904 18.91,905 5.045,906 160.76,908 153.024,909 156.178,910 25.145,911 31.278,913 82.398,914 95.772,917 41.343,918 53.177,919 61.658,920 31.278,921 153.024,922 110.053,923 102.548,926 153.024,927 46.553,928 57.771,930 108.276,931 153.024,932 110.053,933 102.548,935 0.593,936 0.365,937 0.206,938 0.113,939 18,940 9,941 0.079,942 3,943 1,944 1.143,945 3.146,946 171.101,947 0.143,948 14,949 90.239,950 1,954 14.146,955 5.19,956 2.236,957 1.455,958 108.276,959 3.395,960 13.004,963 1.406,964 3.68,965 1.832,966 32.897,967 365.625,968 31.5,973 11.051,975 0.866,980 36.331,981 40.697,983 0.336,984 0.753,985 0.87,986 0.87,987 0.87,988 0.87,989 4.734,990 1.019,991 5.659,992 3.552,993 4.234,994 4.852,996 6.558,997 4.119,998 5.991,999 0.781,1000 7.279,1001 2.715,1002 4.007,1003 4.856,1005 7.633,1006 3.845,1007 7.336,1008 0.317,1009 8.998,1010 1.989,1011 5.911,1012 7.202,1014 10.781,1015 5.689,1016 8.725,1017 -0.292,1018 10.773,1019 0.48,1020 6.494,1021 8.067,1023 12.686,1024 6.224,1025 10.149,1026 -0.634,1027 12.584,1028 -0.68,1029 7.915,1030 9.895,1032 15.373,1033 7.594,1034 11.6,1035 -0.767,1036 14.42,1037 -1.438,1038 8.844,1039 11.143,1041 17.618,1042 8.475,1043 13.07,1044 -1,1045 16.275,1046 -2,1047 10.099,1048 12.781,1050 20.159,1051 9.683,1052 3.345,1053 -1,1054 18.144,1055 -2.155,1056 11.175,1057 14.196,1059 22.546,1060 10.713,1061 2.913,1062 12.097,1063 20.024,1064 -2.95,1065 12.377,1066 15.767,1068 25.044,1069 11.869,1070 2.526,1071 9.371,1072 21.914,1073 4.736,1074 13.516,1075 17.255,1077 27.49,1078 12.963,1079 2.247,1080 8.28,1081 23.811,1082 3.999,1083 14.704,1084 18.804,1086 29.978,1087 14.107,1088 1.741,1089 7.127,1090 25.716,1091 3.207,1092 15.873,1093 20.324,1095 32.449,1096 15.231,1097 1.461,1098 4.817,1099 27.626,1100 2.974,1101 17.06,1102 21.869,1104 34.937,1105 16.375,1106 1.368,1107 3.918,1108 29.542,1109 2.171,1110 18.243,1111 23.404,1113 37.419,1114 17.514,1115 3669,1116 6514,1117 14.74,1118 24.938,1119 36.353,1120 37.328,1121 38.08,1122 35.542,1123 35.436,1124 47.999,1126 108.692,1127 33.387,1128 5.454,1129 5.386,1130 6.569,1131 5.414,1132 5.345,1133 7.736,1135 19.602,1136 5.149,1137 12.297,1138 1.581,1139 1.623,1140 1.656,1141 1.545,1142 1.541,1143 2.087,1145 4.726,1146 1.452,1147 4.132,1148 4.176,1149 4.296,1150 4.048,1151 7.452,1152 4.028,1153 3.852,1154 3.864,1155 4.007,1156 3.801,1157 5.254,1158 3.78,1159 3.576,1160 3.654,1161 3.445,1162 3.407,1163 4.872,1164 3.399,1165 3.232,1166 3.304,1167 3.161,1168 3.015,1169 4.606,1170 3.038,1171 3.136,1172 3.182,1173 3.011,1174 2.912,1175 4.442,1176 2.902,1177 3.014,1178 3.124,1179 2.967,1180 2.733,1181 4.066,1182 2.747,1183 2.887,1184 3.009,1185 2.857,1186 2.656,1187 3.715,1188 2.663,1189 2.874,1190 2.968,1191 2.499,1192 2.618,1193 3.587,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.765,1201 0.206,1202 3.386,1204 7.041,1205 0.526,1206 4.3,1207 0.139,1208 3.345,1209 4.736,1211 12.097,1212 3.193,1213 1.844,1214 1.808,1215 1.95,1216 2.025,1217 1.148,1218 1.997,1219 1.68,1220 1.628,1221 1.844,1222 1.864,1223 0.982,1224 1.863,1225 1.624,1226 1.595,1227 1.779,1228 1.751,1229 0.906,1230 1.77,1231 1.401,1232 1.38,1233 1.417,1234 1.52,1235 0.575,1236 1.536,1237 1.055,1238 0.989,1239 1.395,1240 1.361,1241 0.469,1242 1.348,1243 0.934,1244 0.818,1245 1.318,1246 1.259,1247 0.321,1248 1.308,1249 0.915,1250 0.804,1251 1.194,1252 1.239,1253 0.078,1254 1.261,1255 0.768,1256 0.693,1257 0.992,1258 1.092,1259 0.021,1260 1.08,1261 3.85,1263 5.209,1264 3.045,1265 6.76,1266 5.476,1267 8.402,1268 7.644,1269 10.094,1271 5.974,1275 6.016,1281 0.155,1289 23.643,1290 62.601,1291 140.143,1292 161.853,1293 161.853,1294 161.853,1295 161.853,1296 32.296,1297 6.861,1298 86.69,1299 114.93,1300 16,1301 12.596,1302 4.087,1303 3.248,1304 31.863,1305 56,1306 62,1307 0.29,1308 151.49,1309 244.8,1310 361.395,1311 6983,1313 15.146,1314 0.721,1315 0.61,1316 15.499,1317 12.809,1318 10.024,1319 0.436,1320 0.321,1321 6.549,1322 9.169,1323 6.204,1324 5.209,1325 10.432,1326 7.389,1327 9.334,1328 0.275,1329 0.182,1330 9.976,1331 6.204,1332 8.008,1333 0.167,1334 0.093,1335 8.891,1336 4.473,1337 6.947,1338 0.104,1339 0.048,1340 7.783,1341 3.238,1342 5.38,1343 0.065,1344 0.025,1345 6.105,1346 2.106,1347 0.429,1348 67.077,1349 0.26,1350 20.055,1351 0.886,1352 114,1353 342.489,1354 150.498,1355 355.398,1356 491.74,1357 332,1358 139,1359 356.763,1360 175.176,1361 377.784,1362 557.38,1363 354,1364 4.638}
{0 CHEMBL1241948,1 1.793,2 8.167,3 1.81,4 3.275,5 95.398,6 8.249,7 0.615,8 3.858,9 3.978,10 3.672,11 3.388,12 4.98,13 3.358,14 4.381,15 4.55,16 3.922,17 3.741,18 5.744,19 3.716,20 4.585,21 4.782,22 3.926,23 3.847,24 5.77,25 3.811,26 4.623,27 4.843,28 3.979,29 3.9,30 5.786,31 3.84,32 4.613,33 4.807,34 3.878,35 3.897,36 5.78,37 3.826,38 4.598,39 4.804,40 3.823,41 3.845,42 5.75,43 3.758,44 4.641,45 4.897,46 3.655,47 3.736,48 5.77,49 3.592,50 4.487,51 4.781,52 3.545,53 3.485,54 5.47,55 3.334,56 0.14,57 0.713,58 10.59,59 3.7,60 19.007,61 4.451,62 0.421,63 1.07,64 19.292,65 6.31,66 58.828,67 7.927,68 0.478,69 1.225,70 20.647,71 6.335,72 58.43,73 8.392,74 0.415,75 1.29,76 23.803,77 7.695,78 42.054,79 10.293,80 0.41,81 1.25,82 21.378,83 7.283,84 47.89,85 9.471,86 0.339,87 1.211,88 21.728,89 7.386,90 42.909,91 10.061,92 0.552,93 1.135,94 25.239,95 7.587,96 66.42,97 10.735,98 0.476,99 0.889,100 25.808,101 6.595,102 49.848,103 9.801,104 42,105 39,106 0.312,107 0.674,108 0.795,109 0.828,110 0.828,111 0.828,112 3.23,113 1.064,114 -3.53,115 -3.5,116 -3.34,118 35.7,119 2,123 1,126 1,138 4,139 2,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 4,170 3,171 7,172 1,173 3,175 3,178 6,180 1,181 1,182 5,186 2,188 4,191 2,192 11,194 3,195 3,197 2,199 3,201 1,204 10,206 1,208 3,211 3,213 2,215 7,218 1,220 3,223 4,225 3,227 2,228 4,231 2,232 1,233 1,234 1,235 2,237 1,239 2,245 2,247 2,251 4,254 2,255 2,264 790,265 15.378,266 15.378,267 15.378,268 15.378,269 15.378,270 13.171,271 14.36,272 8.786,273 15.749,274 12.855,275 12.855,276 12.855,277 12.855,278 12.855,279 9.402,280 10.975,281 4.168,282 13.478,283 3.599,284 1.514,285 0.816,286 0.625,287 0.625,288 0.625,289 3.901,292 1,293 1,294 1,295 409,296 3.674,299 47.393,300 130.54,303 90.558,307 1.264,308 29.72,310 1,311 1,312 1,313 1,314 0.8,316 1,317 1,318 0.83,319 53,320 196,321 4.76,322 4.311,323 7.039,324 4.301,325 3.337,326 4.731,328 12.086,329 3.217,330 4.643,331 3.374,332 6.458,333 4.074,334 3.138,335 4.442,337 10.205,338 2.918,339 4.068,340 2.776,341 6.153,342 3.652,343 2.681,344 3.686,346 8.872,347 2.595,348 3.794,349 2.608,350 5.784,351 3.437,352 2.483,353 3.201,355 7.72,356 2.367,357 3.513,358 2.263,359 5.187,360 3.086,361 2.126,362 2.882,364 6.388,365 2.035,366 3.026,367 1.819,368 4.818,369 2.682,370 1.742,371 2.204,373 4.817,374 1.635,375 2.962,376 1.536,377 4.402,378 2.445,379 1.497,380 2.121,382 4.011,383 1.417,384 2.686,385 1.232,386 3.859,387 2.185,388 1.21,389 1.772,391 2.805,392 1.178,393 2.457,394 1,395 3.525,396 1.964,397 1,398 1.438,400 2.527,401 0.962,402 2.112,403 0.816,404 3.446,405 1.738,406 0.778,407 1.007,409 1.979,410 0.745,411 1.199,412 0.732,413 3.091,414 0.86,415 -0.101,416 -0.122,417 -0.29,418 -0.096,419 1.061,420 -0.076,421 2.605,422 0.63,423 -0.286,424 -0.364,425 -0.67,426 -0.261,427 1,428 -0.152,429 2.417,430 0.37,431 -0.603,432 -0.819,433 -1.704,434 -0.585,435 0.811,436 -0.603,437 2.252,438 0.067,439 -0.87,440 -1,441 -2,442 -0.777,443 0.565,444 -0.811,445 2,447 -1,448 -1.148,449 -2.414,450 -0.815,451 11.4,452 0.475,453 0.912,454 0.038,455 33.75,456 1.406,457 18,458 0.75,459 15.75,460 0.656,461 18.478,462 0.77,463 26.4,464 0.629,465 25.207,466 1.05,467 6.281,468 0.262,469 4.979,470 0.207,471 0.225,472 0.073,473 0.342,478 0.617,479 1.42,480 0.822,481 1.277,482 0.781,483 0.959,484 0.588,485 1.179,486 0.959,487 1.101,488 0.466,489 0.865,490 1.376,491 1.075,492 0.87,493 0.745,494 1.246,495 0.882,496 0.712,497 0.959,498 0.834,499 0.896,500 0.517,501 0.872,502 1.15,503 1.09,504 1.034,505 1.006,506 0.985,507 1.131,508 0.882,509 1.268,510 0.962,511 1.162,512 0.821,513 1.225,514 0.796,515 0.925,516 0.954,517 0.984,518 0.815,519 1.165,520 0.696,521 0.86,522 0.744,523 0.869,524 0.771,525 0.841,526 6.5,527 0.037,528 2.667,529 2.479,530 1.896,531 0.959,532 0.72,533 0.374,534 0.414,535 0.194,536 5375,537 17506,538 1.982,539 42.9,541 8,543 1,544 3,546 6,549 1.675,550 1.789,551 3.028,552 1.121,553 1,554 1,556 1,558 75.306,559 1.793,560 3.878,561 4.576,562 4.767,563 4.767,564 4.767,565 2.44,566 4.304,567 4.557,568 3.21,569 885.902,570 7.896,571 10131.1,572 1,573 1,575 1,576 226.477,577 1.75,578 4.469,579 0.25,580 0.004,581 0.068,582 0.065,583 0.047,584 0.027,585 0.023,586 0.016,587 0.022,588 0.013,589 0.536,590 0.33,591 1,592 1.181,593 111.655,594 0.078,595 -0.137,596 0.215,597 -0.083,598 -0.209,599 0.023,600 0.314,601 -0.043,602 0.032,603 -0.038,604 0.355,605 0.099,606 -0.311,607 -0.026,608 -0.088,609 0.101,610 -0.229,611 0.018,612 0.047,613 0.097,614 0.057,615 0.049,616 0.083,617 0.095,618 -0.246,619 -0.026,620 -0.221,621 -0.093,622 -0.136,623 -0.193,624 -0.096,625 -0.242,626 -0.137,627 -0.234,628 -0.071,629 -0.253,630 0.053,631 0.011,632 -0.059,633 -0.095,634 -0.032,635 -0.193,636 0.183,637 -0.03,638 0.318,639 0.098,640 0.039,641 0.191,642 4.277,643 4.438,644 0.625,645 17.833,646 1.015,647 1.139,648 2.298,649 5.281,650 0.67,651 3.296,652 3.689,653 3.912,654 4.263,655 4.5,656 4.635,657 4.727,658 4.828,659 4.812,660 4.82,661 5.264,662 0.641,663 346.46,664 3.296,665 4.875,666 5.727,667 6.65,668 7.531,669 8.459,670 9.353,671 10.282,672 11.185,673 12.113,674 14.3,678 1,679 1,682 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,708 1,716 42,718 18,719 1,720 26,722 44,723 15,724 11,725 2,726 4,728 3,729 4,732 2,738 1,740 11,741 4,744 2,747 1,749 2,756 1,757 1,760 18,761 7,762 3,763 9,764 1,769 6,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,821 1,823 3,827 24,828 1,831 1,834 1,837 1,850 4.8,853 2,858 13.417,859 8.383,860 5.042,861 2.322,863 3.349,864 1.47,865 0.991,866 4.197,867 10.482,868 3.611,869 4.327,870 4.874,871 5.58,872 6.154,873 6.564,874 7.009,875 7.457,876 7.704,877 8.031,878 1,879 38,880 8.991,881 4.007,882 7.99,883 16.542,884 13.608,885 2.49,886 59.75,890 176.567,891 92.487,892 101.313,894 44.313,896 5.807,897 86.68,898 220.879,899 101.313,900 24.841,902 76.61,903 124.438,904 21.667,905 2.328,906 164.795,908 176.567,909 187.992,910 44.313,911 5.807,913 105.94,914 114.94,917 32.518,918 88.836,919 72.447,921 176.567,922 145.626,923 92.487,925 5.807,926 176.567,927 15.315,928 73.141,929 16.405,930 127.444,931 176.567,932 145.626,933 92.487,935 0.6,936 0.322,937 0.186,938 0.108,939 20,940 10,941 0.091,942 4,943 1,944 1.133,945 3.389,946 202.411,947 0.133,948 15,949 106.039,953 1,954 16.681,955 6.039,956 3.377,957 1.302,958 143.849,959 8.38,960 12.953,964 2.143,965 1.777,966 49.302,967 414.679,968 36,971 -3.36,973 22.875,980 42.643,981 47.82,983 0.333,984 0.719,985 0.849,986 0.884,987 0.884,988 0.884,989 4.875,990 1.21,991 5.79,992 4.011,993 4.369,994 5.014,996 6.683,997 4.278,998 6.163,999 1,1000 7.405,1001 2.805,1002 4.29,1003 5.231,1005 7.892,1006 4.133,1007 7.543,1008 0.778,1009 9.126,1010 2.527,1011 6.094,1012 7.426,1014 10.926,1015 5.909,1016 8.961,1017 -0.101,1018 10.904,1019 1.979,1020 6.746,1021 8.399,1023 12.884,1024 6.496,1025 10.409,1026 -0.286,1027 12.718,1028 -0.29,1029 8.132,1030 10.166,1032 15.521,1033 7.852,1034 11.879,1035 -0.603,1036 14.557,1037 -0.67,1038 9.086,1039 11.455,1041 17.776,1042 8.746,1043 13.366,1044 -0.87,1045 16.412,1046 -1.704,1047 10.33,1048 13.071,1050 20.29,1051 9.954,1052 3.337,1053 -1,1054 18.281,1055 -2,1056 11.412,1057 14.496,1059 22.67,1060 10.984,1061 3.138,1062 12.086,1063 20.16,1064 -2.414,1065 12.607,1066 16.057,1068 25.15,1069 12.142,1070 2.681,1071 10.205,1072 22.048,1073 4.731,1074 13.745,1075 17.542,1077 27.584,1078 13.233,1079 2.483,1080 8.872,1081 23.942,1082 4.442,1083 14.927,1084 19.083,1086 30.058,1087 14.376,1088 2.126,1089 7.72,1090 25.843,1091 3.686,1092 16.09,1093 20.596,1095 32.518,1096 15.497,1097 1.742,1098 6.388,1099 27.749,1100 3.201,1101 17.271,1102 22.132,1104 34.993,1105 16.639,1106 1.497,1107 4.817,1108 29.66,1109 2.882,1110 18.446,1111 23.657,1113 37.465,1114 17.775,1115 5424,1116 9939,1117 16.414,1118 28.159,1119 40.347,1120 41.422,1121 41.526,1122 40.052,1123 39.982,1124 54.966,1126 122.816,1127 38.137,1128 5.518,1129 6.311,1130 6.585,1131 5.374,1132 5.337,1133 7.731,1135 19.551,1136 5.217,1137 14.977,1138 1.552,1139 1.593,1140 1.597,1141 1.54,1142 1.538,1143 2.114,1145 4.724,1146 1.467,1147 4.14,1148 4.184,1149 4.716,1150 4.024,1151 7.718,1152 4.025,1153 3.978,1154 3.968,1155 4.11,1156 3.905,1157 6.999,1158 3.822,1159 3.76,1160 3.759,1161 3.755,1162 3.694,1163 5.256,1164 3.644,1165 3.576,1166 3.653,1167 3.445,1168 3.405,1169 4.883,1170 3.398,1171 3.199,1172 3.283,1173 3.109,1174 2.982,1175 4.706,1176 3.007,1177 3.002,1178 3.112,1179 2.881,1180 2.745,1181 4.479,1182 2.737,1183 2.9,1184 3.009,1185 2.756,1186 2.693,1187 4.08,1188 2.729,1189 2.874,1190 2.99,1191 2.623,1192 2.618,1193 3.88,1194 2.591,1195 0.183,1196 0.166,1197 0.271,1198 0.165,1199 0.128,1200 4.76,1201 0.182,1202 4.311,1204 7.039,1205 0.465,1206 4.301,1207 0.124,1208 3.337,1209 4.731,1211 12.086,1212 3.217,1213 1.95,1214 1.933,1215 2.017,1216 2.048,1217 1.164,1218 2.055,1219 1.809,1220 1.776,1221 1.946,1222 2.003,1223 1.134,1224 1.99,1225 1.676,1226 1.687,1227 1.778,1228 1.846,1229 0.953,1230 1.881,1231 1.594,1232 1.539,1233 1.606,1234 1.756,1235 0.826,1236 1.79,1237 1.145,1238 1.082,1239 1.417,1240 1.402,1241 0.469,1242 1.378,1243 0.934,1244 0.829,1245 1.279,1246 1.239,1247 0.309,1248 1.308,1249 0.903,1250 0.804,1251 1.175,1252 1.226,1253 0.238,1254 1.221,1255 0.88,1256 0.783,1257 1.166,1258 1.145,1259 0.044,1260 1.174,1261 3.97,1263 5.342,1264 2.398,1265 6.891,1266 4.844,1267 8.524,1268 7.081,1269 10.205,1271 5.098,1275 6.032,1278 2.459,1281 0.091,1289 26.906,1290 75.306,1291 162.894,1292 192.213,1293 200.213,1294 200.213,1295 200.213,1296 47.369,1297 7.132,1298 115.79,1299 124.17,1300 17,1301 12.621,1302 4.248,1303 3.459,1304 39.005,1305 74,1306 70,1307 0.263,1308 171.873,1309 281.89,1310 411.13,1311 10402,1313 17.483,1314 0.728,1315 0.599,1316 17.733,1317 14.372,1318 11.26,1319 0.433,1320 0.355,1321 7.374,1322 10.018,1323 6.927,1324 5.823,1325 12.187,1326 9.221,1327 11.514,1328 0.295,1329 0.194,1330 12.897,1331 7.548,1332 8.123,1333 0.166,1334 0.083,1335 8.574,1336 4.053,1337 7.414,1338 0.106,1339 0.044,1340 7.939,1341 3.057,1342 5.965,1343 0.067,1344 0.023,1345 6.333,1346 2.009,1347 0.397,1348 80.35,1349 0.247,1350 22.796,1351 0.771,1352 130,1353 410.557,1354 175.663,1355 421.473,1356 572.94,1357 386,1358 153,1359 411.368,1360 206.349,1361 447.966,1362 645.87,1363 416,1364 4}
{0 CHEMBL1241949,1 1.489,2 8.75,3 2.405,4 5.784,5 95.498,6 7.79,7 0.778,8 3.844,9 3.985,10 3.456,11 3.373,12 5.023,13 3.372,14 4.329,15 4.51,16 3.853,17 3.766,18 5.462,19 3.752,20 4.539,21 4.742,22 3.921,23 3.89,24 5.648,25 3.865,26 4.624,27 4.853,28 3.876,29 3.906,30 5.718,31 3.851,32 4.555,33 4.775,34 3.719,35 3.853,36 5.58,37 3.778,38 4.499,39 4.714,40 3.651,41 3.783,42 5.582,43 3.701,44 4.558,45 4.833,46 3.435,47 3.683,48 5.523,49 3.558,50 4.367,51 4.67,52 3.235,53 3.438,54 5.293,55 3.297,56 0.071,57 0.703,58 7.869,59 3.048,60 11.334,61 4.135,62 0.169,63 1.088,64 14.184,65 5.302,66 19.91,67 7.426,68 0.205,69 1.285,70 18.357,71 5.855,72 23.225,73 8.48,74 0.329,75 1.327,76 21.174,77 6.867,78 35.272,79 9.966,80 0.205,81 1.224,82 19.293,83 6.459,84 25.962,85 9.333,86 0.175,87 1.157,88 17.96,89 6.27,90 28.57,91 9.031,92 0.272,93 1.097,94 21.794,95 6.741,96 37.822,97 10.181,98 0.255,99 0.856,100 19.242,101 6.372,102 32.942,103 9.7,104 18,105 40,106 0.258,107 0.643,108 0.763,109 0.821,110 0.838,111 0.838,112 3.23,113 0.855,114 -4.77,115 -4.68,116 -4.4,118 41.5,119 2,126 1,138 5,139 3,142 2,143 2,144 1,156 1,158 2,159 2,160 2,161 1,167 6,170 2,171 10,172 2,173 2,175 2,178 8,180 2,181 1,182 8,186 1,188 7,190 1,191 2,192 9,194 3,195 3,197 3,199 7,201 3,204 7,208 4,211 4,213 4,214 1,215 9,220 5,223 5,225 5,227 1,228 3,233 1,235 4,237 1,239 2,240 2,242 2,243 2,245 2,247 2,249 2,252 2,254 1,255 1,260 2,264 758,265 16.085,266 16.085,267 16.085,268 16.085,269 16.085,270 13.687,271 12.649,272 9.195,273 16.432,274 13.321,275 13.321,276 13.321,277 13.321,278 13.321,279 9.634,280 10,281 4.348,282 13.89,283 3.869,284 1.647,285 0.954,286 0.622,287 0.525,288 0.525,289 3.925,292 1,293 1,294 1,295 460,296 2.739,299 43.524,300 159.84,303 83.676,304 88.462,307 1.375,308 19.084,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 51.5,320 210,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.222,330 4.426,331 2.965,332 6.262,333 3.925,334 2.948,335 4.36,337 9.449,338 2.879,339 3.877,340 2.677,341 6.082,342 3.527,343 2.57,344 3.353,346 8.608,347 2.458,348 3.767,349 2.466,350 5.719,351 3.363,352 2.407,353 3.19,355 7.488,356 2.3,357 3.475,358 2.166,359 4.962,360 3.035,361 2.08,362 2.849,364 5.803,365 1.982,366 3.118,367 1.819,368 4.819,369 2.683,370 1.742,371 2.427,373 4.818,374 1.636,375 3.03,376 1.618,377 4.495,378 2.603,379 1.618,380 2.249,382 4.416,383 1.592,384 2.981,385 1.505,386 4.377,387 2.444,388 1.501,389 2.127,391 4.065,392 1.411,393 2.532,394 1.066,395 3.861,396 2.011,397 1.064,398 1.546,400 2.761,401 1.005,402 2.214,403 0.856,404 3.492,405 1.795,406 0.827,407 1.097,409 2.067,410 0.799,411 2.11,412 0.711,413 3.274,414 1.673,415 0.694,416 0.985,417 1.685,418 0.678,419 1.272,420 -0.003,421 2.724,422 0.846,423 -0.108,424 -0.141,425 -0.26,426 -0.103,427 1.056,428 -0.174,429 2.432,430 0.61,431 -0.302,432 -0.389,433 -0.705,434 -0.275,435 0.882,436 -0.618,437 2.384,438 0.368,439 -0.618,440 -0.927,441 -1.82,442 -0.607,443 0.69,444 -0.661,445 2.27,446 0.233,447 -0.715,448 -0.945,449 -2,450 -0.677,451 11.3,452 0.471,453 0.716,454 0.03,455 35.25,456 1.469,457 19,458 0.792,459 16.25,460 0.677,461 17.212,462 0.717,463 24.7,464 0.602,465 24.795,466 1.033,467 6.728,468 0.28,469 4.814,470 0.201,471 0.159,473 0.434,478 0.992,479 1.212,480 0.769,481 0.937,482 1.246,483 0.838,484 0.697,485 1.077,486 0.653,487 0.895,488 0.51,489 0.789,490 1.215,491 1.168,492 0.918,493 0.931,494 0.883,495 0.886,496 0.987,497 0.916,498 0.963,499 0.922,500 0.926,501 0.936,502 1.197,503 1.11,504 1.157,505 1.108,506 0.945,507 1.123,508 1.052,509 1.245,510 1.182,511 1.283,512 1.129,513 1.259,514 1.08,515 0.961,516 1.13,517 1.049,518 1.254,519 1.089,520 0.464,521 0.765,522 0.754,523 0.9,524 0.511,525 0.878,526 5,527 0.083,528 3.111,529 2.104,530 2.14,531 0.827,532 0.564,533 0.436,534 0.215,535 0.178,536 5894,537 15405,538 2.11,539 41.5,541 6,543 1,544 4,546 6,549 1.673,550 1.946,551 3.102,552 1.819,553 1,554 1,556 1,558 61.034,559 1.489,560 3.711,561 4.403,562 4.735,563 4.833,564 4.833,565 2.555,566 4.418,567 4.557,568 3.236,569 893.149,570 7.888,571 9993.54,572 1,573 1,575 1,576 219.66,577 1.483,578 4.504,579 0.185,580 0.012,581 0.078,582 0.05,583 0.055,584 0.025,585 0.019,586 0.019,587 0.011,588 0.014,589 0.468,590 0.17,591 1,592 0.813,593 111.361,594 -0.066,595 -0.022,596 0.037,597 0.05,598 -0.284,599 0.058,600 0.23,601 0.027,602 0.221,603 0.097,604 0.242,605 0.147,606 -0.164,607 -0.085,608 -0.007,609 0.02,610 -0.04,611 0.03,612 0.048,613 0.113,614 -0.013,615 0.036,616 0.019,617 0.008,618 -0.257,619 -0.085,620 -0.231,621 -0.128,622 -0.118,623 -0.168,624 -0.141,625 -0.224,626 -0.264,627 -0.298,628 -0.142,629 -0.3,630 -0.12,631 -0.052,632 -0.112,633 -0.07,634 -0.225,635 -0.086,636 0.372,637 0.051,638 0.316,639 0.125,640 0.362,641 0.196,642 1.238,643 2.107,644 0.792,645 17.667,646 1.003,647 1.136,648 3.539,649 12.525,650 0.679,651 3.332,652 3.714,653 4.043,654 4.382,655 4.673,656 4.796,657 4.92,658 5.088,659 5.182,660 5.231,661 5.231,662 0.653,663 319.41,664 3.332,665 4.905,666 5.79,667 6.706,668 7.613,669 8.534,670 9.45,671 10.374,672 11.294,673 12.218,674 17.1,678 2,682 1,684 4,689 4,690 6,691 4,695 4,696 1,697 21,708 2,716 41,718 21,719 1,720 27,722 44,723 17,724 14,725 3,726 3,728 4,729 6,732 2,738 1,740 14,741 3,756 1,757 1,760 17,761 6,762 4,763 7,769 7,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 24,828 2,837 1,858 12.333,859 8,860 5.111,861 2.408,863 4.314,864 1.569,865 1.038,866 3.358,867 11.9,868 3.651,869 4.379,870 5.096,871 5.803,872 6.437,873 6.868,874 7.36,875 7.894,876 8.326,877 8.691,878 0.833,879 42,880 8.794,881 3.788,882 7.694,883 16.736,884 13.907,885 2.194,886 52.667,889 1,890 153.024,891 93.254,892 134.591,897 93.254,898 153.024,899 134.591,900 17.65,902 113.176,903 80.506,904 23.628,905 4.656,906 141.253,908 153.024,909 227.844,913 82.398,914 70.627,917 34.662,918 126.163,919 67.02,921 153.024,922 134.591,923 93.254,926 153.024,927 19.604,928 75.427,930 132.814,931 153.024,932 134.591,933 93.254,935 0.597,936 0.355,937 0.202,938 0.12,939 22,940 10,941 0.045,942 2,943 2,944 1.211,945 3.496,946 211.577,947 0.211,948 19,949 108.039,954 14.851,955 5.427,956 2.395,957 3.344,958 132.814,959 11.127,960 17.548,964 2.648,965 1.869,966 65.794,967 380.869,968 37.5,980 41.131,981 46.564,983 0.278,984 0.693,985 0.822,986 0.884,987 0.902,988 0.902,989 4.9,990 1.501,991 5.808,992 4.416,993 4.394,994 5.066,996 6.688,997 4.317,998 6.161,999 1.064,1000 7.41,1001 4.065,1002 4.111,1003 5.047,1005 7.716,1006 4.001,1007 7.507,1008 0.827,1009 9.112,1010 2.761,1011 6.052,1012 7.441,1014 10.864,1015 5.906,1016 8.893,1017 0.694,1018 10.872,1019 2.067,1020 6.567,1021 8.254,1023 12.736,1024 6.39,1025 10.311,1026 -0.108,1027 12.67,1028 1.685,1029 8.019,1030 10.133,1032 15.421,1033 7.81,1034 11.754,1035 -0.302,1036 14.494,1037 -0.26,1038 8.899,1039 11.339,1041 17.648,1042 8.658,1043 13.217,1044 -0.618,1045 16.338,1046 -0.705,1047 10.169,1048 13.009,1050 20.186,1051 9.897,1052 3.339,1053 -0.715,1054 18.199,1055 -1.82,1056 11.216,1057 14.399,1059 22.563,1060 10.911,1061 2.948,1062 12.088,1063 20.072,1064 -2,1065 12.422,1066 15.985,1068 25.057,1069 12.084,1070 2.57,1071 9.449,1072 21.955,1073 4.737,1074 13.545,1075 17.457,1077 27.497,1078 13.173,1079 2.407,1080 8.608,1081 23.847,1082 4.36,1083 14.732,1084 19.011,1086 29.982,1087 14.326,1088 2.08,1089 7.488,1090 25.747,1091 3.353,1092 15.891,1093 20.52,1095 32.449,1096 15.449,1097 1.742,1098 5.803,1099 27.653,1100 3.19,1101 17.075,1102 22.063,1104 34.934,1105 16.599,1106 1.618,1107 4.818,1108 29.565,1109 2.849,1110 18.251,1111 23.588,1113 37.413,1114 17.739,1115 5640,1116 9249,1117 17.918,1118 27.847,1119 42.027,1120 41.47,1121 43.581,1122 41.623,1123 41.583,1124 57.839,1126 126.496,1127 39.925,1128 5.431,1129 5.376,1130 6.567,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.222,1137 12.207,1138 1.557,1139 1.536,1140 1.614,1141 1.542,1142 1.54,1143 2.142,1145 4.685,1146 1.479,1147 4.158,1148 4.2,1149 4.137,1150 4.053,1151 5.262,1152 4.066,1153 3.992,1154 4.033,1155 3.962,1156 3.858,1157 5.181,1158 3.882,1159 3.579,1160 3.656,1161 3.445,1162 3.421,1163 4.879,1164 3.412,1165 3.489,1166 3.544,1167 3.419,1168 3.355,1169 4.739,1170 3.362,1171 3.165,1172 3.256,1173 3.063,1174 2.951,1175 4.499,1176 2.971,1177 3.032,1178 3.11,1179 2.917,1180 2.845,1181 4.165,1182 2.859,1183 2.994,1184 3.105,1185 2.873,1186 2.685,1187 4.024,1188 2.724,1189 2.874,1190 3.009,1191 2.628,1192 2.618,1193 3.912,1194 2.57,1195 0.176,1196 0.125,1197 0.261,1198 0.159,1199 0.124,1200 4.762,1201 0.175,1202 3.376,1204 7.039,1205 0.448,1206 4.303,1207 0.119,1208 3.339,1209 4.737,1211 12.088,1212 3.222,1213 2.046,1214 2.024,1215 2.112,1216 2.128,1217 1.237,1218 2.124,1219 1.825,1220 1.782,1221 1.948,1222 2.02,1223 1.145,1224 1.993,1225 1.649,1226 1.585,1227 1.807,1228 1.849,1229 0.896,1230 1.845,1231 1.459,1232 1.408,1233 1.615,1234 1.633,1235 0.629,1236 1.634,1237 1.101,1238 1.038,1239 1.417,1240 1.379,1241 0.469,1242 1.353,1243 0.993,1244 0.919,1245 1.26,1246 1.243,1247 0.277,1248 1.308,1249 0.934,1250 0.804,1251 1.233,1252 1.239,1253 0.146,1254 1.256,1255 0.858,1256 0.764,1257 1.139,1258 1.205,1259 0.034,1260 1.196,1261 4.007,1263 5.371,1264 2.398,1265 6.934,1266 4.844,1267 8.592,1268 7.081,1269 10.3,1271 4.114,1275 11.851,1281 0.164,1289 26.784,1290 61.034,1291 152.134,1292 180.54,1293 194.15,1294 198.15,1295 198.15,1296 30.695,1297 7.586,1298 108.53,1299 108.53,1300 23,1301 12.725,1302 4.459,1303 3.524,1304 33.701,1305 74,1306 84,1307 0.227,1308 165.48,1309 262.86,1310 395.532,1311 18888,1313 16.845,1314 0.702,1315 0.56,1316 16.845,1317 13.432,1318 11.542,1319 0.427,1320 0.285,1321 7.594,1322 11.115,1323 7.361,1324 6.149,1325 11.542,1326 7.697,1327 10.968,1328 0.274,1329 0.15,1330 10.968,1331 5.988,1332 9.315,1333 0.166,1334 0.071,1335 9.315,1336 3.991,1337 8.19,1338 0.104,1339 0.036,1340 8.19,1341 2.846,1342 7.068,1343 0.067,1344 0.019,1345 7.068,1346 2.021,1347 0.343,1348 72.09,1349 0.236,1350 22.807,1351 0.664,1352 134,1353 356.85,1354 146.572,1355 358.594,1356 511.64,1357 336,1358 163,1359 406.955,1360 176.461,1361 413.775,1362 610.34,1363 390,1364 4.745}
{0 CHEMBL1241950,1 1.507,2 9.44,3 2.262,4 5.118,5 100.579,6 7.777,7 0.75,8 3.895,9 4.043,10 3.501,11 3.394,12 5.087,13 3.398,14 4.374,15 4.561,16 3.882,17 3.787,18 5.489,19 3.778,20 4.582,21 4.789,22 3.97,23 3.919,24 5.694,25 3.896,26 4.669,27 4.897,28 3.929,29 3.942,30 5.772,31 3.894,32 4.618,33 4.841,34 3.781,35 3.903,36 5.638,37 3.83,38 4.565,39 4.784,40 3.717,41 3.836,42 5.65,43 3.757,44 4.621,45 4.895,46 3.485,47 3.738,48 5.594,49 3.612,50 4.436,51 4.746,52 3.284,53 3.488,54 5.319,55 3.344,56 0.111,57 0.747,58 8.457,59 3.103,60 13.7,61 4.305,62 0.208,63 1.137,64 15.076,65 5.284,66 20.346,67 7.576,68 0.244,69 1.334,70 19.384,71 6.097,72 25.297,73 9.068,74 0.369,75 1.379,76 22.126,77 6.819,78 37.682,79 10.139,80 0.237,81 1.289,82 20.694,83 6.749,84 27.173,85 10.006,86 0.205,87 1.22,88 19.362,89 6.561,90 29.972,91 9.689,92 0.311,93 1.134,94 23.163,95 6.954,96 41.987,97 10.741,98 0.285,99 0.875,100 20.881,101 6.693,102 33.094,103 10.393,104 21,105 41,106 0.259,107 0.656,108 0.8,109 0.846,110 0.846,111 0.846,112 3.268,113 0.851,114 -4.83,115 -4.74,116 -4.45,118 39.5,119 2,126 1,138 5,139 3,142 2,143 2,144 1,156 1,158 2,159 2,160 2,161 1,164 1,166 1,167 6,170 2,171 10,172 1,173 2,175 2,178 8,180 1,181 1,182 8,183 1,184 1,186 2,188 7,190 1,191 2,192 9,194 3,195 3,197 4,199 7,201 2,204 7,208 6,211 4,213 4,214 1,215 9,220 7,223 5,225 6,227 1,228 3,233 2,235 4,237 2,239 2,240 2,242 1,243 2,245 2,247 2,249 1,252 2,254 1,255 2,257 1,260 2,262 1,264 848,265 16.955,266 16.955,267 16.955,268 16.955,269 16.955,270 14.609,271 14.23,272 9.698,273 17.347,274 13.749,275 13.749,276 13.749,277 13.749,278 13.749,279 10.057,280 10,281 4.495,282 14.343,283 3.92,284 1.608,285 0.77,286 0.5,287 0.5,288 0.5,289 3.965,292 1,293 1,294 1,295 515,296 2.915,299 46.537,300 170.098,303 89.282,304 94.047,307 1.622,308 18.807,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 54,320 236,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.222,330 4.431,331 2.977,332 6.267,333 3.931,334 2.956,335 4.362,337 9.472,338 2.883,339 3.887,340 2.683,341 6.086,342 3.535,343 2.578,344 3.365,346 8.625,347 2.464,348 3.773,349 2.505,350 5.723,351 3.38,352 2.426,353 3.191,355 7.513,356 2.313,357 3.536,358 2.252,359 5.22,360 3.128,361 2.171,362 2.906,364 6.47,365 2.073,366 3.118,367 1.82,368 4.82,369 2.683,370 1.742,371 2.427,373 4.818,374 1.636,375 3.031,376 1.618,377 4.511,378 2.603,379 1.618,380 2.255,382 4.444,383 1.592,384 2.984,385 1.51,386 4.378,387 2.449,388 1.506,389 2.127,391 4.072,392 1.416,393 2.533,394 1.069,395 3.862,396 2.012,397 1.066,398 1.547,400 2.763,401 1.006,402 2.227,403 0.856,404 3.493,405 1.797,406 0.827,407 1.111,409 2.067,410 0.8,411 2.117,412 0.781,413 3.282,414 1.734,415 0.75,416 1.009,417 1.73,418 0.738,419 1.652,420 0.481,421 2.871,422 1.412,423 0.445,424 0.523,425 0.73,426 0.429,427 1.077,428 -0.141,429 2.642,430 0.686,431 -0.261,432 -0.332,433 -0.594,434 -0.244,435 1.027,436 -0.341,437 2.425,438 0.578,439 -0.363,440 -0.486,441 -0.811,442 -0.345,443 0.882,444 -0.618,445 2.349,446 0.367,447 -0.618,448 -0.927,449 -1.826,450 -0.608,451 11.7,452 0.468,453 0.678,454 0.027,455 35.75,456 1.43,457 19,458 0.76,459 16.75,460 0.67,461 18.86,462 0.754,463 26.1,464 0.607,465 25.402,466 1.016,467 6.869,468 0.275,469 5.211,470 0.208,471 0.154,473 0.419,478 0.973,479 1.165,480 0.781,481 0.924,482 1.197,483 0.837,484 0.801,485 1.064,486 0.695,487 0.873,488 0.633,489 0.784,490 1.076,491 1.165,492 0.862,493 0.942,494 0.736,495 0.878,496 1.04,497 0.946,498 0.988,499 0.934,500 0.983,501 0.949,502 1.139,503 1.136,504 1.136,505 1.134,506 0.937,507 1.134,508 1.013,509 1.264,510 1.159,511 1.302,512 1.061,513 1.263,514 1.056,515 0.984,516 1.152,517 1.096,518 1.355,519 1.133,520 0.432,521 0.764,522 0.715,523 0.893,524 0.482,525 0.859,526 5,527 0.119,528 3.111,529 2.104,530 2.18,531 0.889,532 0.584,533 0.464,534 0.215,535 0.178,536 6649,537 17886,538 2.105,539 41.9,541 6,543 1,544 5,546 6,549 1.683,550 1.948,551 3.187,552 2.647,553 1,554 1,558 64.784,559 1.507,560 3.818,561 4.656,562 4.926,563 4.926,564 4.926,565 2.759,566 4.404,567 4.613,568 3.341,569 1002.27,570 7.996,571 11586.7,573 1,575 1,576 233.329,577 1.473,578 4.565,579 0.179,580 0.012,581 0.076,582 0.048,583 0.053,584 0.025,585 0.018,586 0.019,587 0.011,588 0.012,589 0.453,590 0.17,591 1,592 0.9,593 118.299,594 -0.02,595 0.06,596 0.035,597 0.079,598 -0.23,599 0.069,600 0.136,601 0.064,602 0.183,603 0.132,604 0.127,605 0.16,606 -0.083,607 -0.078,608 0.048,609 0.037,610 0.067,611 0.061,612 -0.016,613 0.101,614 -0.046,615 0.031,616 -0.025,617 -0.006,618 -0.238,619 -0.104,620 -0.214,621 -0.132,622 -0.12,623 -0.163,624 -0.136,625 -0.234,626 -0.244,627 -0.294,628 -0.094,629 -0.288,630 -0.133,631 -0.075,632 -0.147,633 -0.108,634 -0.276,635 -0.126,636 0.367,637 0.029,638 0.352,639 0.139,640 0.34,641 0.226,642 1.243,643 2.119,644 0.76,645 20.077,646 1.005,647 1.141,648 3.603,649 12.979,650 0.671,651 3.367,652 3.738,653 4.078,654 4.407,655 4.7,656 4.836,657 4.963,658 5.13,659 5.236,660 5.298,661 5.544,662 0.647,663 334.43,664 3.367,665 4.934,666 5.82,667 6.732,668 7.641,669 8.56,670 9.476,671 10.398,672 11.318,673 12.242,674 18.6,678 2,679 1,682 1,684 4,689 4,690 6,691 4,695 4,696 1,697 21,708 1,716 43,718 21,719 1,720 28,722 46,723 17,724 14,725 3,726 3,728 4,729 6,732 2,738 1,740 14,741 3,756 1,757 1,760 18,761 7,762 5,763 8,769 8,773 1,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 25,828 2,834 1,837 1,858 12.833,859 8.25,860 5.444,861 2.471,863 4.312,864 1.561,865 1.034,866 3.752,867 11.995,868 3.676,869 4.391,870 5.114,871 5.816,872 6.454,873 6.894,874 7.389,875 7.919,876 8.359,877 8.731,878 1,879 44,880 9.145,881 3.911,882 7.707,883 17.369,884 14.325,885 2.207,886 55.167,890 153.024,891 93.254,892 152.356,897 93.254,898 153.024,899 152.356,900 17.65,902 113.053,903 98.394,904 23.628,905 4.656,906 141.253,908 153.024,909 245.61,913 82.398,914 70.627,917 34.662,918 126.04,919 84.908,921 153.024,922 152.356,923 93.254,926 153.024,927 19.604,928 75.427,929 17.888,930 132.691,931 153.024,932 152.356,933 93.254,935 0.59,936 0.359,937 0.202,938 0.119,939 22,940 10,941 0.065,942 3,943 2,944 1.211,945 3.589,946 222.085,947 0.211,948 19,949 114.096,954 15.756,955 5.954,956 2.579,957 3.331,958 150.58,959 11.187,960 17.672,964 2.749,965 1.868,966 83.56,967 398.634,968 38.5,980 43.232,981 49.062,983 0.278,984 0.704,985 0.858,986 0.908,987 0.908,988 0.908,989 4.922,990 1.506,991 5.832,992 4.444,993 4.419,994 5.078,996 6.711,997 4.341,998 6.176,999 1.066,1000 7.433,1001 4.072,1002 4.111,1003 5.047,1005 7.74,1006 4.001,1007 7.519,1008 0.827,1009 9.134,1010 2.763,1011 6.075,1012 7.449,1014 10.883,1015 5.927,1016 8.905,1017 0.75,1018 10.893,1019 2.067,1020 6.581,1021 8.26,1023 12.753,1024 6.402,1025 10.323,1026 0.445,1027 12.69,1028 1.73,1029 8.039,1030 10.139,1032 15.433,1033 7.827,1034 11.766,1035 -0.261,1036 14.513,1037 0.73,1038 8.914,1039 11.344,1041 17.658,1042 8.67,1043 13.228,1044 -0.363,1045 16.356,1046 -0.594,1047 10.185,1048 13.014,1050 20.193,1051 9.91,1052 3.339,1053 -0.618,1054 18.214,1055 -0.811,1056 11.229,1057 14.403,1059 22.568,1060 10.921,1061 2.956,1062 12.088,1063 20.086,1064 -1.826,1065 12.435,1066 15.988,1068 25.061,1069 12.094,1070 2.578,1071 9.472,1072 21.968,1073 4.737,1074 13.556,1075 17.46,1077 27.5,1078 13.181,1079 2.426,1080 8.625,1081 23.858,1082 4.362,1083 14.742,1084 19.014,1086 29.984,1087 14.334,1088 2.171,1089 7.513,1090 25.757,1091 3.365,1092 15.9,1093 20.522,1095 32.451,1096 15.456,1097 1.742,1098 6.47,1099 27.661,1100 3.191,1101 17.083,1102 22.065,1104 34.935,1105 16.605,1106 1.618,1107 4.818,1108 29.572,1109 2.906,1110 18.259,1111 23.591,1113 37.414,1114 17.745,1115 6390,1116 10611,1117 18.611,1118 28.853,1119 43.099,1120 42.826,1121 44.932,1122 42.881,1123 42.849,1124 59.122,1126 129.587,1127 41.148,1128 5.434,1129 5.376,1130 6.587,1131 5.376,1132 5.339,1133 7.737,1135 19.556,1136 5.222,1137 12.679,1138 1.539,1139 1.529,1140 1.605,1141 1.531,1142 1.53,1143 2.112,1145 4.628,1146 1.47,1147 4.159,1148 4.2,1149 4.138,1150 4.054,1151 5.26,1152 4.066,1153 3.994,1154 4.035,1155 3.964,1156 3.858,1157 5.161,1158 3.883,1159 3.58,1160 3.657,1161 3.445,1162 3.422,1163 4.923,1164 3.414,1165 3.51,1166 3.577,1167 3.443,1168 3.359,1169 4.832,1170 3.368,1171 3.188,1172 3.293,1173 3.085,1174 2.951,1175 4.517,1176 2.973,1177 3.114,1178 3.209,1179 2.979,1180 2.874,1181 4.265,1182 2.896,1183 3.002,1184 3.107,1185 2.883,1186 2.69,1187 4.042,1188 2.731,1189 2.874,1190 3.009,1191 2.742,1192 2.618,1193 3.943,1194 2.619,1195 0.17,1196 0.121,1197 0.251,1198 0.154,1199 0.119,1200 4.762,1201 0.169,1202 3.376,1204 7.039,1205 0.432,1206 4.303,1207 0.115,1208 3.339,1209 4.737,1211 12.088,1212 3.222,1213 2.046,1214 2.024,1215 2.111,1216 2.129,1217 1.24,1218 2.125,1219 1.825,1220 1.782,1221 1.948,1222 2.021,1223 1.145,1224 1.993,1225 1.649,1226 1.586,1227 1.807,1228 1.851,1229 0.899,1230 1.846,1231 1.464,1232 1.411,1233 1.616,1234 1.672,1235 0.645,1236 1.66,1237 1.105,1238 1.039,1239 1.417,1240 1.434,1241 0.469,1242 1.413,1243 1.051,1244 0.959,1245 1.325,1246 1.34,1247 0.279,1248 1.333,1249 0.934,1250 0.804,1251 1.253,1252 1.239,1253 0.185,1254 1.308,1255 0.883,1256 0.78,1257 1.164,1258 1.206,1259 0.035,1260 1.203,1261 4.043,1263 5.398,1264 2.398,1265 6.959,1266 4.844,1267 8.616,1268 7.081,1269 10.322,1271 4.111,1275 11.538,1278 2.553,1281 0.158,1289 27.805,1290 64.784,1291 164.194,1292 200.21,1293 211.82,1294 211.82,1295 211.82,1296 32.654,1297 7.683,1298 120.56,1299 120.56,1300 23,1301 12.748,1302 4.459,1303 3.524,1304 35.82,1305 82,1306 100,1307 0.219,1308 172.274,1309 273.86,1310 412.11,1311 21356,1313 17.552,1314 0.702,1315 0.557,1316 17.552,1317 13.932,1318 12.08,1319 0.431,1320 0.284,1321 7.826,1322 11.569,1323 7.602,1324 6.357,1325 12.08,1326 7.947,1327 11.137,1328 0.272,1329 0.149,1330 11.137,1331 6.093,1332 9.738,1333 0.168,1334 0.071,1335 9.738,1336 4.118,1337 8.423,1338 0.104,1339 0.036,1340 8.423,1341 2.911,1342 7.246,1343 0.066,1344 0.019,1345 7.246,1346 2.065,1347 0.333,1348 75.94,1349 0.232,1350 23.743,1351 0.63,1352 138,1353 375.183,1354 151.627,1355 375.69,1356 534.76,1357 352,1358 168,1359 424.986,1360 182.876,1361 430.882,1362 634.37,1363 406,1364 4.06}
{0 CHEMBL1242024,1 1.572,2 7.238,3 2.645,4 6.995,5 83.298,6 7.457,7 0.696,8 3.751,9 3.885,10 3.315,11 3.251,12 4.926,13 3.244,14 4.24,15 4.431,16 3.704,17 3.631,18 5.35,19 3.612,20 4.437,21 4.63,22 3.787,23 3.763,24 5.558,25 3.735,26 4.572,27 4.802,28 3.79,29 3.807,30 5.676,31 3.751,32 4.534,33 4.758,34 3.618,35 3.766,36 5.562,37 3.691,38 4.464,39 4.683,40 3.575,41 3.701,42 5.564,43 3.615,44 4.532,45 4.804,46 3.202,47 3.584,48 5.56,49 3.437,50 4.38,51 4.705,52 2.623,53 3.261,54 5.275,55 2.981,56 0.073,57 0.608,58 7.907,59 3.079,60 11.318,61 4.213,62 0.154,63 0.936,64 14.125,65 5.064,66 18.744,67 7.279,68 0.196,69 1.104,70 17.501,71 5.607,72 23.229,73 8.23,74 0.313,75 1.198,76 21.094,77 6.696,78 35.322,79 9.972,80 0.286,81 1.13,82 20.29,83 6,84 34.138,85 9.036,86 0.193,87 1.063,88 18.424,89 6.047,90 27.124,91 9.168,92 0.376,93 0.992,94 21.681,95 5.88,96 47.945,97 9.25,98 0.302,99 0.679,100 20.299,101 6.978,102 47.47,103 10.676,104 27,105 34,106 0.281,107 0.695,108 0.803,109 0.825,110 0.825,111 0.825,112 3.105,113 0.884,114 -4.38,115 -4.31,116 -4.06,118 39.5,119 3,126 1,138 3,139 3,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 7,172 1,173 1,175 3,178 8,180 1,181 1,182 5,186 2,188 5,191 2,192 9,194 3,195 3,197 3,199 6,201 1,204 7,208 2,211 2,213 2,215 8,218 1,220 6,223 4,225 5,231 1,235 6,243 2,244 1,246 1,257 2,264 527,265 13.776,266 13.776,267 13.776,268 13.776,269 13.776,270 11.84,271 14.069,272 7.856,273 14.078,274 11.317,275 11.317,276 11.317,277 11.317,278 11.317,279 8.377,280 11.441,281 3.682,282 11.814,283 3.676,284 1.368,285 0.764,286 0.639,287 0.639,288 0.639,289 3.777,292 1,293 1,294 1,295 321,296 2.646,299 39.155,300 106.584,303 75.047,307 1.034,308 19.483,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 45.5,320 152,321 4.77,322 3.394,323 7.065,324 4.319,325 3.352,326 4.739,328 12.18,329 3.242,330 4.229,331 2.964,332 6.341,333 3.823,334 2.845,335 3.894,337 9.491,338 2.778,339 3.799,340 2.64,341 5.923,342 3.458,343 2.505,344 3.203,346 7.977,347 2.383,348 3.574,349 2.41,350 5.196,351 3.153,352 2.204,353 2.96,355 6.277,356 2.085,357 3.143,358 1.934,359 4.824,360 2.719,361 1.765,362 2.406,364 4.868,365 1.682,366 3.019,367 1.798,368 4.742,369 2.662,370 1.717,371 2.14,373 4.792,374 1.618,375 2.799,376 1.389,377 4.065,378 2.31,379 1.345,380 1.93,382 3.36,383 1.294,384 2.519,385 1.07,386 3.837,387 2.006,388 1.054,389 1.527,391 2.729,392 1.001,393 2.135,394 0.863,395 3.488,396 1.789,397 0.824,398 1.044,400 2.06,401 0.793,402 1.285,403 0.197,404 2.765,405 0.937,406 -0.025,407 -0.032,409 -0.062,410 -0.024,411 1.053,412 -0.12,413 2.427,414 0.602,415 -0.31,416 -0.401,417 -0.724,418 -0.282,419 0.797,420 -0.179,421 2.359,422 0.446,423 -0.515,424 -0.621,425 -1.242,426 -0.489,427 0.636,428 -0.753,429 2.256,430 0.131,431 -0.802,432 -1,433 -2,434 -0.746,435 0.227,436 -0.916,437 2.131,439 -1,440 -1.106,441 -2.257,442 -0.996,443 0.042,444 -1,445 1.803,446 -0.117,447 -1.059,448 -1.296,449 -3.036,450 -1,451 9.833,452 0.468,453 0.686,454 0.033,455 28.75,456 1.369,457 15,458 0.714,459 13.75,460 0.655,461 16.176,462 0.77,463 22.567,464 0.594,465 19.83,466 0.944,467 5.514,468 0.263,469 4.472,470 0.213,471 0.227,473 0.447,478 0.955,479 1.263,480 0.817,481 1.029,482 1.102,483 0.923,484 0.668,485 1.071,486 0.635,487 0.888,488 0.511,489 0.773,490 1.126,491 1.243,492 0.933,493 1.01,494 0.933,495 0.947,496 0.83,497 1.008,498 0.902,499 0.975,500 0.752,501 0.95,502 1.318,503 1.078,504 1.232,505 1.019,506 1.116,507 1.087,508 0.826,509 1.364,510 1.122,511 1.304,512 0.663,513 1.258,514 1.234,515 0.869,516 1.423,517 1.081,518 1.372,519 1.227,520 0.288,521 0.837,522 0.881,523 1.159,524 0.488,525 1.137,526 4.5,528 2.889,529 2.292,530 1.727,531 1.073,532 0.491,533 0.329,534 0.127,535 0.016,536 3598,537 9785,538 2.018,539 44.7,540 3,541 4,543 1,544 3,546 6,549 1.641,550 1.826,551 2.84,552 1.109,553 1,554 1,556 1,558 59.721,559 1.572,560 3.88,561 4.484,562 4.609,563 4.609,564 4.609,565 2.244,566 4.011,567 4.364,568 2.951,569 619.664,570 7.525,571 6328.49,572 1,573 1,574 1,575 1,576 199.421,577 1.545,578 4.289,579 0.196,581 0.085,582 0.064,583 0.049,584 0.037,585 0.018,586 0.021,587 0.018,588 0.005,589 0.493,590 0.5,591 1,592 0.911,593 91.633,594 -0.056,595 -0.04,596 0.029,597 0.029,598 -0.209,599 0.036,600 0.153,601 0.052,602 0.265,603 0.134,604 0.164,605 0.202,606 -0.13,607 -0.128,608 -0.015,609 -0.026,610 -0.067,611 -0.006,612 0.086,613 0.045,614 0.047,615 -0.014,616 0.063,617 0.002,618 -0.314,619 -0.013,620 -0.287,621 -0.067,622 -0.236,623 -0.153,624 -0.029,625 -0.311,626 -0.204,627 -0.317,628 0.087,629 -0.292,630 -0.248,631 0.109,632 -0.432,633 -0.175,634 -0.325,635 -0.295,636 0.439,637 -0.127,638 0.153,639 -0.139,640 0.348,641 -0.056,642 1.437,643 3.571,644 0.714,645 13.424,646 1.004,647 1.137,648 3.147,649 9.902,650 0.659,651 3.178,652 3.555,653 3.871,654 4.205,655 4.454,656 4.595,657 4.625,658 4.682,659 4.605,660 4.477,661 4.48,662 0.631,663 283.37,664 3.178,665 4.745,666 5.624,667 6.541,668 7.447,669 8.373,670 9.289,671 10.217,672 11.137,673 12.067,674 13.2,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,716 38,718 16,719 1,720 23,722 40,723 15,724 11,725 3,726 3,728 3,729 4,732 3,738 1,740 11,741 4,756 1,757 1,760 17,761 5,762 3,763 6,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 3,827 21,828 1,832 1,837 1,850 2.6,852 1,858 11.5,859 7.75,860 4.528,861 2.247,863 3.168,864 1.462,865 0.962,866 3.299,867 10.031,868 3.466,869 4.171,870 4.859,871 5.549,872 6.13,873 6.543,874 6.941,875 7.371,876 7.606,877 7.844,878 0.8,879 36,880 7.707,881 3.27,882 7.786,883 14.585,884 11.893,885 2.286,886 48,890 164.795,891 79.267,892 84.908,894 42.683,897 79.267,898 207.479,899 84.908,900 26.476,902 61.326,903 106.404,904 22.096,905 2.328,906 153.024,908 164.795,909 164.175,910 42.683,913 94.169,914 113.31,917 41.343,918 72.598,919 50.234,921 164.795,922 127.591,923 79.267,926 164.795,927 15.744,928 65.3,930 125.815,931 164.795,932 127.591,933 79.267,935 0.597,936 0.356,937 0.202,938 0.116,939 18,940 9,941 0.05,942 2,943 1,944 1.133,945 3.131,946 171.704,947 0.133,948 15,949 90.239,954 13.835,955 5.007,956 2.235,957 1.472,958 125.815,959 6.632,960 13.057,964 3.226,965 1.842,966 75.581,967 371.654,968 31,980 38.138,981 43.192,983 0.299,984 0.739,985 0.854,986 0.878,987 0.878,988 0.878,989 4.718,990 1.054,991 5.652,992 3.36,993 4.234,994 4.856,996 6.544,997 4.154,998 5.979,999 0.824,1000 7.266,1001 2.729,1002 4.007,1003 4.856,1005 7.615,1006 3.895,1007 7.325,1008 -0.025,1009 8.981,1010 2.06,1011 5.9,1012 7.201,1014 10.772,1015 5.753,1016 8.712,1017 -0.31,1018 10.755,1019 -0.062,1020 6.463,1021 8.029,1023 12.685,1024 6.288,1025 10.133,1026 -0.515,1027 12.566,1028 -0.724,1029 7.891,1030 9.881,1032 15.387,1033 7.685,1034 11.578,1035 -0.802,1036 14.405,1037 -1.242,1038 8.807,1039 11.099,1041 17.644,1042 8.572,1043 13.045,1044 -1,1045 16.263,1046 -2,1047 10.07,1048 12.757,1050 20.199,1051 9.804,1052 3.352,1053 -1.059,1054 18.137,1055 -2.257,1056 11.142,1057 14.157,1059 22.597,1060 10.846,1061 2.845,1062 12.18,1063 20.024,1064 -3.036,1065 12.35,1066 15.742,1068 25.106,1069 12.023,1070 2.505,1071 9.491,1072 21.921,1073 4.739,1074 13.491,1075 17.224,1077 27.561,1078 13.132,1079 2.204,1080 7.977,1081 23.826,1082 3.894,1083 14.685,1084 18.782,1086 30.057,1087 14.294,1088 1.765,1089 6.277,1090 25.737,1091 3.203,1092 15.857,1093 20.301,1095 32.536,1096 15.433,1097 1.717,1098 4.868,1099 27.655,1100 2.96,1101 17.051,1102 21.852,1104 35.031,1105 16.593,1106 1.345,1107 4.792,1108 29.577,1109 2.406,1110 18.238,1111 23.389,1113 37.52,1114 17.747,1115 3629,1116 6091,1117 14.74,1118 25.051,1119 35.711,1120 35.285,1121 37.744,1122 35.259,1123 35.223,1124 47.686,1126 107.468,1127 33.751,1128 5.443,1129 5.394,1130 6.592,1131 5.391,1132 5.352,1133 7.739,1135 19.754,1136 5.242,1137 12.17,1138 1.553,1139 1.534,1140 1.641,1141 1.533,1142 1.531,1143 2.073,1145 4.673,1146 1.467,1147 4.136,1148 4.182,1149 4.118,1150 4.003,1151 6.471,1152 4.024,1153 3.858,1154 3.888,1155 3.804,1156 3.753,1157 5.255,1158 3.764,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 4.873,1164 3.399,1165 3.218,1166 3.29,1167 3.131,1168 3.032,1169 4.613,1170 3.034,1171 3.172,1172 3.26,1173 2.981,1174 2.97,1175 4.442,1176 2.979,1177 3.004,1178 3.112,1179 2.88,1180 2.696,1181 4.06,1182 2.734,1183 2.874,1184 3.009,1185 2.712,1186 2.624,1187 3.867,1188 2.636,1189 2.838,1190 2.893,1191 2.499,1192 2.618,1193 3.687,1194 2.57,1195 0.207,1196 0.148,1197 0.307,1198 0.188,1199 0.146,1200 4.77,1201 0.206,1202 3.394,1204 7.065,1205 0.53,1206 4.319,1207 0.141,1208 3.352,1209 4.739,1211 12.18,1212 3.242,1213 1.948,1214 1.928,1215 2.033,1216 2.044,1217 1.181,1218 2.034,1219 1.801,1220 1.753,1221 1.947,1222 1.994,1223 1.14,1224 1.98,1225 1.613,1226 1.548,1227 1.779,1228 1.814,1229 0.848,1230 1.815,1231 1.206,1232 1.135,1233 1.539,1234 1.428,1235 0.589,1236 1.468,1237 1.139,1238 1.075,1239 1.417,1240 1.408,1241 0.469,1242 1.379,1243 0.934,1244 0.804,1245 1.262,1246 1.239,1247 0.261,1248 1.308,1249 0.879,1250 0.789,1251 1.152,1252 1.231,1253 0.087,1254 1.215,1255 0.764,1256 0.687,1257 1.02,1258 1.079,1259 0.032,1260 1.064,1261 3.85,1263 5.209,1264 2.398,1265 6.767,1266 4.844,1267 8.421,1268 7.081,1269 10.127,1271 6.006,1275 6.034,1276 9.571,1281 0.16,1289 23.983,1290 59.721,1291 147.447,1292 170.402,1293 175.157,1294 175.157,1295 175.157,1296 31.344,1297 6.863,1298 89.85,1299 89.85,1300 17,1301 12.571,1302 4.087,1303 3.17,1304 31.823,1305 55,1306 61,1307 0.295,1308 149.951,1309 243.59,1310 357.641,1311 7124,1313 15.146,1314 0.721,1315 0.581,1316 15.146,1317 12.2,1318 9.986,1319 0.434,1320 0.295,1321 6.68,1322 9.59,1323 6.408,1324 5.393,1325 9.986,1326 6.774,1327 9.516,1328 0.28,1329 0.157,1330 9.516,1331 5.344,1332 7.841,1333 0.167,1334 0.074,1335 7.841,1336 3.472,1337 6.919,1338 0.105,1339 0.037,1340 6.919,1341 2.458,1342 5.51,1343 0.065,1344 0.019,1345 5.51,1346 1.625,1347 0.433,1348 62.636,1349 0.26,1350 20.007,1351 0.908,1352 114,1353 318.042,1354 125.54,1355 315.48,1356 442.19,1357 294,1358 138,1359 345.323,1360 150.291,1361 350.56,1362 515.09,1363 329,1364 6.5}
{0 CHEMBL1242025,1 1.54,2 10.12,3 3.683,4 13.567,5 97.175,6 7.891,7 0.786,8 3.862,9 3.983,10 3.486,11 3.425,12 5.041,13 3.421,14 4.332,15 4.487,16 3.828,17 3.795,18 5.465,19 3.775,20 4.495,21 4.66,22 3.869,23 3.879,24 5.584,25 3.839,26 4.611,27 4.819,28 3.786,29 3.828,30 5.692,31 3.768,32 4.56,33 4.801,34 3.635,35 3.77,36 5.53,37 3.688,38 4.426,39 4.641,40 3.64,41 3.726,42 5.454,43 3.661,44 4.41,45 4.618,46 3.573,47 3.732,48 5.453,49 3.639,50 4.458,51 4.713,52 3.366,53 3.643,54 5.358,55 3.512,56 0.062,57 0.656,58 7.69,59 3.41,60 9.52,61 4.253,62 0.174,63 1.004,64 13.819,65 5.768,66 18.003,67 7.292,68 0.103,69 1.141,70 16.514,71 6.973,72 15.806,73 8.998,74 0.352,75 1.22,76 21.201,77 7.637,78 37.545,79 9.873,80 0.311,81 1.132,82 21.292,83 7.242,84 31.371,85 9.937,86 0.224,87 1.014,88 17.529,89 6.485,90 24.653,91 8.763,92 0.27,93 1.01,94 16.547,95 6.464,96 25.783,97 8.882,98 0.174,99 1.003,100 19.349,101 7.227,102 24.522,103 10.179,104 5,105 39,106 0.265,107 0.63,108 0.755,109 0.837,110 0.86,111 0.86,112 3.267,113 0.851,114 -5.11,115 -5.01,116 -4.69,118 45.2,119 1,124 1,138 8,139 4,140 1,143 1,144 1,145 1,148 1,158 1,159 1,160 1,163 1,167 11,170 2,171 6,172 1,173 1,175 3,178 12,180 1,182 6,184 1,186 2,188 9,191 1,192 7,194 2,195 3,196 1,197 2,198 1,199 4,201 1,204 7,206 1,208 3,211 8,213 2,214 1,215 3,220 2,223 12,225 1,227 2,228 3,230 1,231 1,233 2,235 11,237 1,240 3,245 3,247 7,249 1,252 4,257 3,260 3,262 1,264 878,265 17.206,266 17.206,267 17.206,268 17.206,269 17.206,270 14.54,271 11.647,272 10.201,273 17.541,274 13.826,275 13.826,276 13.826,277 13.826,278 13.826,279 9.919,280 12.202,281 4.844,282 14.357,283 3.853,284 1.736,285 1.006,286 0.53,287 0.399,288 0.399,289 3.968,292 1,293 1,294 1,295 559,296 2.449,299 50.613,300 220.595,303 96.47,307 1.565,308 17.074,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 53.5,320 253,321 4.671,322 3.273,323 6.887,324 4.21,325 3.237,326 4.629,327 1.151,328 11.504,329 3.148,330 4.229,331 3.115,332 6.11,333 3.811,334 2.845,335 3.89,337 8.896,338 2.746,339 3.893,340 2.737,341 5.737,342 3.499,343 2.509,344 3.442,346 7.581,347 2.485,348 3.694,349 2.418,350 5.334,351 3.302,352 2.335,353 3.1,355 6.934,356 2.254,357 3.42,358 2.061,359 5.034,360 2.917,361 1.991,362 2.807,364 5.677,365 1.841,366 3.008,367 1.953,368 4.438,369 2.572,370 1.615,371 2.244,373 4.072,374 1.54,375 2.959,376 1.556,377 4.235,378 2.453,379 1.508,380 2.13,382 3.978,383 1.42,384 2.838,385 1.522,386 3.814,387 2.4,388 1.414,389 1.976,391 3.106,392 1.388,393 2.553,394 1.077,395 3.629,396 2.01,397 1.065,398 1.578,400 2.685,401 1.004,402 2.5,403 1,404 3.314,405 2,406 1,407 1.5,409 2.136,410 1,411 2.186,412 0.958,413 3.247,414 1.703,415 0.745,416 1.053,417 1.808,418 0.712,419 1.883,420 0.793,421 3.138,422 1.557,423 0.642,424 0.775,425 1.504,426 0.581,427 1.259,428 0.312,429 2.647,430 0.957,431 -0.013,432 -0.016,433 -0.03,434 -0.012,435 1.041,436 -0.175,437 2.44,438 0.591,439 -0.323,440 -0.416,441 -0.743,442 -0.294,443 0.831,444 -0.289,445 2.365,446 0.44,447 -0.527,448 -0.675,449 -1.292,450 -0.508,451 11.833,452 0.473,453 0.538,454 0.022,455 37.25,456 1.49,457 21,458 0.84,459 16.25,460 0.65,461 16.5,462 0.66,463 25.367,464 0.604,465 25.61,466 1.024,467 7.537,468 0.301,469 4.683,470 0.187,471 0.076,473 0.338,478 0.91,479 1.066,480 0.746,481 0.92,482 1.059,483 0.824,484 1.007,485 0.939,486 0.802,487 0.908,488 0.801,489 0.849,490 1.006,491 1.292,492 0.945,493 1.254,494 0.836,495 1.129,496 1.373,497 0.99,498 1.092,499 1.077,500 1.063,501 1.071,502 1.188,503 0.873,504 1.012,505 0.873,506 0.974,507 0.909,508 1.025,509 0.947,510 0.922,511 0.925,512 1.001,513 0.915,514 0.644,515 0.989,516 1.075,517 1.119,518 0.774,519 1.152,520 0.81,521 1.066,522 1.035,523 1.124,524 0.831,525 1.121,526 4,527 0.069,528 2.889,529 1.438,530 1.388,531 0.642,532 0.467,533 0.408,534 0.168,535 0.135,536 7459,537 19536,538 2.154,539 40.5,540 3,541 10,543 1,544 3,549 1.681,550 2.055,551 3.315,552 0.966,554 1,558 64.67,559 1.54,560 3.657,561 4.386,562 4.862,563 4.993,564 4.993,565 2.725,566 4.484,567 4.616,568 3.459,569 1037.55,570 7.985,571 12487.8,572 1,573 1,575 1,576 226.477,577 1.26,578 4.592,579 0.143,580 0.005,581 0.074,582 0.037,583 0.041,584 0.021,585 0.015,586 0.015,587 0.008,588 0.008,589 0.366,590 0.17,591 1,592 0.477,593 120.249,594 -0.023,595 0.057,596 0.043,597 0.038,598 -0.168,599 0.051,600 0.043,601 0.115,602 0.065,603 0.065,604 0.059,605 0.063,606 0.001,607 -0.288,608 -0.058,609 -0.269,610 0.019,611 -0.191,612 0.001,613 -0.02,614 -0.094,615 -0.116,616 0.046,617 -0.131,618 -0.081,619 0.076,620 0.008,621 0.105,622 -0.004,623 0.079,624 -0.008,625 0.017,626 0.048,627 0.066,628 -0.017,629 0.066,630 0.195,631 -0.006,632 -0.144,633 -0.129,634 0.059,635 -0.175,636 -0.023,637 -0.173,638 -0.022,639 -0.105,640 -0.001,641 -0.074,642 1.263,643 2.507,644 0.84,645 20.854,646 1.003,647 1.124,648 3.882,649 15.071,650 0.692,651 3.367,652 3.689,653 3.989,654 4.263,655 4.477,656 4.522,657 4.644,658 4.796,659 4.828,660 4.852,661 6.006,662 0.666,663 331.41,664 3.367,665 4.905,666 5.765,667 6.645,668 7.522,669 8.41,670 9.295,671 10.188,672 11.078,673 11.974,674 11.9,678 1,682 1,684 3,689 2,690 9,691 3,692 1,695 6,697 22,708 1,714 1,716 42,718 22,719 2,720 28,722 45,723 19,724 17,725 4,726 8,728 4,729 5,732 1,740 17,741 2,756 1,757 1,760 17,761 5,762 3,763 6,769 5,775 0.75,776 1,785 1,788 1,793 1,794 3,797 1,819 3,823 1,827 25,828 1,833 1,835 1,850 2.4,855 1,858 12.167,859 7.85,860 5.472,861 2.347,863 4.142,864 1.556,865 1.036,866 4.081,867 11.594,868 3.689,869 4.347,870 4.996,871 5.623,872 6.167,873 6.459,874 6.899,875 7.374,876 7.658,877 7.985,878 0.857,879 39,880 9.16,881 3.872,882 7.653,883 17.483,884 14.217,885 2.153,886 53.833,889 1,890 164.795,891 122.019,892 99.794,894 11,897 122.019,898 175.795,899 99.794,900 8.825,901 4.592,902 108.707,903 62.005,904 55.37,905 5.085,906 153.024,908 164.795,909 221.814,910 11,913 166.511,914 11,917 38.699,918 131.165,919 50.234,921 164.795,922 110.794,923 122.019,926 164.795,927 28.765,928 93.254,929 16.663,930 94.131,931 164.795,932 110.794,933 122.019,935 0.58,936 0.345,937 0.189,938 0.102,939 20,940 8,941 0.089,942 4,943 1,944 1.095,945 3.771,946 211.177,947 0.095,948 21,949 112.096,954 15.609,955 6.536,956 3.064,957 1.273,958 94.131,959 17.489,960 12.401,961 3.003,964 5.126,966 49.56,967 397.609,968 39,980 42.138,981 47.192,983 0.286,984 0.678,985 0.813,986 0.902,987 0.926,988 0.926,989 4.902,990 1.414,991 5.74,992 3.978,993 4.369,994 5.034,995 1.294,996 6.555,997 4.298,998 6.123,999 1.065,1000 7.298,1001 3.106,1002 3.892,1003 4.808,1005 7.479,1006 3.805,1007 7.436,1008 1,1009 8.96,1010 2.685,1011 5.958,1012 7.312,1013 1.506,1014 10.61,1015 5.83,1016 8.79,1017 0.745,1018 10.687,1019 2.136,1020 6.347,1021 7.975,1023 12.426,1024 6.201,1025 10.179,1026 0.642,1027 12.456,1028 1.808,1029 7.854,1030 9.905,1031 1.731,1032 15.074,1033 7.674,1034 11.594,1035 -0.013,1036 14.256,1037 1.504,1038 8.648,1039 11.001,1041 17.255,1042 8.445,1043 13.03,1044 -0.323,1045 16.079,1046 -0.03,1047 9.931,1048 12.689,1049 1.968,1050 19.753,1051 9.699,1052 3.237,1053 -0.527,1054 17.919,1055 -0.743,1056 10.918,1057 14.004,1059 22.084,1060 10.659,1061 2.845,1062 11.504,1063 19.773,1064 -1.292,1065 12.114,1066 15.59,1067 2.214,1068 24.537,1069 11.827,1070 2.509,1071 8.896,1072 21.638,1073 4.629,1074 13.192,1075 17.013,1077 26.931,1078 12.876,1079 2.335,1080 7.581,1081 23.513,1082 3.89,1083 14.357,1084 18.557,1085 2.468,1086 29.371,1087 14.014,1088 1.991,1089 6.934,1090 25.395,1091 3.442,1092 15.478,1093 20.033,1095 31.792,1096 15.107,1097 1.615,1098 5.677,1099 27.284,1100 3.1,1101 16.636,1102 21.562,1103 2.727,1104 34.23,1105 16.237,1106 1.508,1107 4.072,1108 29.179,1109 2.807,1110 17.778,1111 23.064,1113 36.662,1114 17.351,1115 6997,1116 11480,1117 19.186,1118 29.051,1119 42.24,1120 42.318,1121 42.976,1122 41.808,1123 41.815,1124 58.252,1125 2.302,1126 119.76,1127 40.235,1128 5.501,1129 5.273,1130 6.689,1131 5.282,1132 5.237,1133 7.629,1134 2.302,1135 18.714,1136 5.148,1137 8.789,1138 1.509,1139 1.511,1140 1.535,1141 1.493,1142 1.493,1143 2.08,1144 0.082,1145 4.277,1146 1.437,1147 4.114,1148 4.158,1149 4.092,1150 3.99,1151 5.283,1152 4.008,1153 3.918,1154 3.948,1155 3.855,1156 3.842,1157 4.929,1158 3.839,1159 3.83,1160 3.862,1161 3.772,1162 3.734,1163 4.839,1164 3.745,1165 3.347,1166 3.437,1167 3.277,1168 3.119,1169 4.706,1170 3.138,1171 3.218,1172 3.266,1173 3.086,1174 3.033,1175 4.499,1176 3.033,1177 3.111,1178 3.207,1179 2.962,1180 2.861,1181 4.263,1182 2.881,1183 2.971,1184 3.085,1185 2.817,1186 2.735,1187 3.873,1188 2.715,1189 2.854,1190 2.925,1191 2.689,1192 2.703,1193 3.674,1194 2.706,1195 0.167,1196 0.117,1197 0.246,1198 0.15,1199 0.116,1200 4.671,1201 0.165,1202 3.273,1203 0.041,1204 6.887,1205 0.411,1206 4.21,1207 0.112,1208 3.237,1209 4.629,1210 1.151,1211 11.504,1212 3.148,1213 1.957,1214 1.937,1215 2.053,1216 2.051,1217 1.188,1218 2.05,1219 1.895,1220 1.867,1221 2.013,1222 1.982,1223 1.124,1224 1.992,1225 1.751,1226 1.713,1227 1.814,1228 1.924,1229 0.892,1230 1.899,1231 1.356,1232 1.284,1233 1.563,1234 1.657,1235 0.611,1236 1.617,1237 1.186,1238 1.135,1239 1.455,1240 1.421,1241 0.591,1242 1.436,1243 1.071,1244 0.972,1245 1.325,1246 1.358,1247 0.256,1248 1.376,1249 0.886,1250 0.821,1251 1.181,1252 1.223,1253 0.218,1254 1.216,1255 0.838,1256 0.781,1257 1.151,1258 1.062,1259 0.154,1260 1.107,1261 4.043,1263 5.361,1264 2.398,1265 6.882,1266 4.727,1267 8.496,1268 6.862,1269 10.156,1271 2.02,1275 5.999,1277 0.514,1279 6.007,1289 27.983,1290 64.67,1291 153.583,1292 184.213,1293 204.213,1294 209.722,1295 209.722,1296 30.417,1297 7.452,1298 89.71,1299 89.71,1300 23,1301 12.5,1302 4.524,1303 3.585,1304 35.921,1305 90,1306 92,1307 0.196,1308 172.145,1309 281.61,1310 411.794,1311 17797,1313 17.225,1314 0.689,1315 0.549,1316 17.225,1317 13.73,1318 12.22,1319 0.436,1320 0.284,1321 7.839,1322 11.796,1323 7.63,1324 6.366,1325 12.22,1326 7.945,1327 10.879,1328 0.279,1329 0.149,1330 10.879,1331 5.811,1332 9.48,1333 0.179,1334 0.077,1335 9.48,1336 4.094,1337 7.977,1338 0.114,1339 0.039,1340 7.977,1341 2.734,1342 6.442,1343 0.074,1344 0.021,1345 6.442,1346 1.813,1347 0.305,1348 76.336,1349 0.228,1350 24.222,1351 0.542,1352 134,1353 376.316,1354 145.619,1355 371.765,1356 522.24,1357 350,1358 159,1359 399.68,1360 171.757,1361 408.087,1362 595.59,1363 383,1364 4.914}
{0 CHEMBL1242026,1 1.572,2 7.286,3 2.645,4 6.995,5 83.298,6 7.457,7 0.696,8 3.751,9 3.885,10 3.315,11 3.251,12 4.926,13 3.244,14 4.24,15 4.431,16 3.704,17 3.631,18 5.343,19 3.612,20 4.437,21 4.629,22 3.794,23 3.755,24 5.579,25 3.73,26 4.58,27 4.81,28 3.748,29 3.776,30 5.71,31 3.719,32 4.491,33 4.73,34 3.582,35 3.702,36 5.524,37 3.625,38 4.352,39 4.55,40 3.536,41 3.623,42 5.496,43 3.554,44 4.474,45 4.741,46 3.245,47 3.528,48 5.584,49 3.388,50 4.303,51 4.616,52 2.766,53 3.205,54 5.197,55 3.011,56 0.073,57 0.608,58 7.907,59 3.079,60 11.318,61 4.213,62 0.154,63 0.936,64 14.125,65 5.064,66 17.701,67 7.279,68 0.177,69 1.099,70 17.448,71 5.599,72 21.655,73 8.23,74 0.378,75 1.169,76 21.691,77 6.577,78 45.027,79 9.657,80 0.289,81 1.06,82 19.804,83 5.918,84 33.451,85 9.066,86 0.173,87 0.967,88 16.025,89 5.326,90 22.479,91 7.887,92 0.401,93 0.923,94 20.48,95 5.867,96 57.939,97 9.137,98 0.24,99 0.657,100 18.758,101 5.75,102 35.965,103 8.733,104 27,105 34,106 0.281,107 0.695,108 0.803,109 0.825,110 0.825,111 0.825,112 3.105,113 0.884,114 -4.38,115 -4.31,116 -4.06,118 39.5,119 3,126 1,138 3,139 3,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 7,172 1,173 1,175 3,178 7,180 1,181 1,182 5,186 3,188 6,191 2,192 7,194 3,195 3,197 2,199 4,201 1,204 6,206 1,208 3,211 3,213 2,215 6,218 1,220 3,223 5,225 3,228 3,231 2,232 1,233 1,234 1,235 2,237 1,240 2,245 3,247 2,249 1,260 2,264 530,265 13.776,266 13.776,267 13.776,268 13.776,269 13.776,270 11.84,271 12.584,272 7.818,273 14.07,274 11.301,275 11.301,276 11.301,277 11.301,278 11.301,279 8.368,280 9.346,281 3.657,282 11.79,283 3.676,284 1.368,285 0.764,286 0.639,287 0.639,288 0.639,289 3.777,292 1,293 1,294 1,295 323,296 2.646,299 39.793,300 107.231,303 76.128,307 1.061,308 19.911,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 45.5,320 153,321 4.76,322 3.377,323 7.039,324 4.301,325 3.338,326 4.732,328 12.086,329 3.218,330 4.216,331 3.006,332 6.179,333 3.802,334 2.827,335 3.879,337 8.977,338 2.752,339 3.814,340 2.671,341 5.927,342 3.488,343 2.533,344 3.214,346 8.067,347 2.417,348 3.679,349 2.406,350 5.657,351 3.284,352 2.321,353 3.085,355 7.235,356 2.233,357 3.03,358 1.821,359 4.819,360 2.683,361 1.743,362 2.244,364 4.818,365 1.636,366 2.98,367 1.684,368 4.469,369 2.452,370 1.508,371 2.126,373 4.123,374 1.42,375 2.82,376 1.524,377 4.039,378 2.384,379 1.414,380 1.948,382 3.512,383 1.365,384 2.521,385 1.075,386 3.86,387 2.009,388 1.062,389 1.531,391 2.758,392 1.004,393 2.127,394 0.856,395 3.49,396 1.779,397 0.815,398 1.033,400 2.05,401 0.784,402 1.371,403 0.42,404 2.736,405 1.064,406 0.103,407 0.124,409 0.227,410 0.098,411 1.058,412 -0.15,413 2.427,414 0.618,415 -0.294,416 -0.374,417 -0.685,418 -0.267,419 0.781,420 -0.375,421 2.375,422 0.356,423 -0.595,424 -0.77,425 -1.604,426 -0.56,427 0.621,428 -0.751,429 2.256,430 0.13,431 -0.815,432 -1,433 -2,434 -0.764,435 0.227,436 -0.915,437 2.131,439 -1,440 -1.114,441 -2.268,442 -1,444 -1,445 1.805,446 -0.099,447 -1.062,448 -1.285,449 -3.043,450 -1.026,451 9.833,452 0.468,453 0.686,454 0.033,455 28.75,456 1.369,457 15,458 0.714,459 13.75,460 0.655,461 15.967,462 0.76,463 22.567,464 0.594,465 19.87,466 0.946,467 5.514,468 0.263,469 4.472,470 0.213,471 0.227,473 0.447,478 0.955,479 1.263,480 0.817,481 1.029,482 1.102,483 0.923,484 0.668,485 1.071,486 0.635,487 0.888,488 0.532,489 0.773,490 1.097,491 1.284,492 0.918,493 1.06,494 0.872,495 0.969,496 1.143,497 0.96,498 1.011,499 0.947,500 1.172,501 0.961,502 1.037,503 1.016,504 1.059,505 0.955,506 0.805,507 0.988,508 0.972,509 1.397,510 1.181,511 1.357,512 1.007,513 1.303,514 0.972,515 0.916,516 1.254,517 1.1,518 1.086,519 1.191,520 1.031,521 0.801,522 0.948,523 0.956,524 1.083,525 0.955,526 4.5,528 3.111,529 2.042,530 1.807,531 0.827,532 0.566,533 0.386,534 0.148,535 0.016,536 3654,537 9677,538 2.018,539 44.7,540 3,541 4,543 1,544 3,546 6,549 1.64,550 1.826,551 2.878,552 1.109,553 1,554 1,556 1,558 59.721,559 1.572,560 3.88,561 4.484,562 4.609,563 4.609,564 4.609,565 2.244,566 4.202,567 4.364,568 2.982,569 626.115,570 7.519,571 6413.99,572 1,573 1,574 1,575 1,576 199.421,577 1.545,578 4.289,579 0.196,581 0.092,582 0.057,583 0.055,584 0.03,585 0.022,586 0.023,587 0.015,588 0.005,589 0.493,590 0.5,591 1,592 0.911,593 91.933,594 -0.056,595 -0.04,596 0.029,597 0.029,598 -0.209,599 0.036,600 0.153,601 0.052,602 0.265,603 0.134,604 0.143,605 0.202,606 -0.099,607 -0.169,608 0.001,609 -0.077,610 -0.004,611 -0.028,612 -0.016,613 0.073,614 -0.037,615 -0.001,616 -0.071,617 -0.027,618 -0.112,619 0.013,620 -0.103,621 0.002,622 -0.011,623 -0.035,624 -0.068,625 -0.306,626 -0.274,627 -0.368,628 -0.079,629 -0.353,630 0.04,631 0.033,632 -0.259,633 -0.171,634 -0.003,635 -0.24,636 -0.011,637 -0.055,638 0.11,639 0.022,640 0.068,641 0.076,642 1.435,643 3.922,644 0.714,645 13.56,646 1.004,647 1.137,648 3.147,649 9.902,650 0.659,651 3.178,652 3.555,653 3.871,654 4.174,655 4.443,656 4.564,657 4.625,658 4.71,659 4.644,660 4.511,661 4.558,662 0.631,663 283.37,664 3.178,665 4.745,666 5.624,667 6.535,668 7.441,669 8.36,670 9.275,671 10.198,672 11.117,673 12.041,674 13.2,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,716 38,718 16,719 1,720 23,722 40,723 15,724 11,725 3,726 3,728 3,729 4,732 3,738 1,740 11,741 4,756 1,757 1,760 17,761 5,762 3,763 6,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 3,827 21,828 1,832 1,837 1,850 2.6,852 1,858 11.5,859 7.75,860 4.528,861 2.247,863 3.139,864 1.457,865 0.962,866 3.299,867 10.002,868 3.466,869 4.171,870 4.859,871 5.531,872 6.123,873 6.526,874 6.946,875 7.39,876 7.628,877 7.866,878 0.8,879 36,880 7.715,881 3.281,882 7.786,883 14.585,884 11.893,885 2.286,886 48,890 164.795,891 79.267,892 84.908,894 42.683,897 79.267,898 207.479,899 84.908,900 26.476,902 61.326,903 106.404,904 22.096,905 2.328,906 153.024,908 164.795,909 164.175,910 42.683,913 94.169,914 113.31,917 41.343,918 72.598,919 50.234,921 164.795,922 127.591,923 79.267,926 164.795,927 15.744,928 65.3,930 125.815,931 164.795,932 127.591,933 79.267,935 0.599,936 0.36,937 0.193,938 0.114,939 18,940 9,941 0.05,942 2,943 1,944 1.133,945 3.144,946 170.795,947 0.133,948 15,949 90.239,954 13.835,955 5.007,956 2.235,957 1.419,958 125.815,959 6.891,960 12.967,964 2.92,965 1.819,966 75.581,967 371.654,968 31,980 38.138,981 43.192,983 0.299,984 0.739,985 0.854,986 0.878,987 0.878,988 0.878,989 4.718,990 1.062,991 5.652,992 3.512,993 4.234,994 4.856,996 6.538,997 4.154,998 5.979,999 0.815,1000 7.266,1001 2.758,1002 4.007,1003 4.856,1005 7.597,1006 3.895,1007 7.325,1008 0.103,1009 8.98,1010 2.05,1011 5.9,1012 7.201,1014 10.742,1015 5.751,1016 8.712,1017 -0.294,1018 10.751,1019 0.227,1020 6.463,1021 8.029,1023 12.635,1024 6.281,1025 10.132,1026 -0.595,1027 12.558,1028 -0.685,1029 7.886,1030 9.879,1032 15.326,1033 7.671,1034 11.577,1035 -0.815,1036 14.391,1037 -1.604,1038 8.796,1039 11.093,1041 17.569,1042 8.545,1043 13.041,1044 -1,1045 16.242,1046 -2,1047 10.054,1048 12.75,1050 20.115,1051 9.77,1052 3.338,1053 -1.062,1054 18.109,1055 -2.268,1056 11.117,1057 14.146,1059 22.504,1060 10.797,1061 2.827,1062 12.086,1063 19.987,1064 -3.043,1065 12.32,1066 15.729,1068 25.007,1069 11.965,1070 2.533,1071 8.977,1072 21.876,1073 4.732,1074 13.453,1075 17.208,1077 27.456,1078 13.061,1079 2.321,1080 8.067,1081 23.773,1082 3.879,1083 14.641,1084 18.765,1086 29.947,1087 14.215,1088 1.743,1089 7.235,1090 25.677,1091 3.214,1092 15.807,1093 20.281,1095 32.421,1096 15.343,1097 1.508,1098 4.818,1099 27.587,1100 3.085,1101 16.995,1102 21.831,1104 34.91,1105 16.495,1106 1.414,1107 4.123,1108 29.503,1109 2.244,1110 18.176,1111 23.366,1113 37.394,1114 17.639,1115 3681,1116 6105,1117 14.74,1118 25.051,1119 35.678,1120 35.649,1121 37.742,1122 35.366,1123 35.327,1124 47.83,1126 107.705,1127 33.854,1128 5.427,1129 5.377,1130 6.567,1131 5.374,1132 5.338,1133 7.732,1135 19.551,1136 5.218,1137 12.257,1138 1.551,1139 1.55,1140 1.641,1141 1.538,1142 1.536,1143 2.08,1145 4.683,1146 1.472,1147 4.134,1148 4.18,1149 4.116,1150 3.999,1151 6.469,1152 4.02,1153 3.863,1154 3.892,1155 3.809,1156 3.76,1157 5.254,1158 3.771,1159 3.577,1160 3.654,1161 3.445,1162 3.407,1163 4.873,1164 3.4,1165 3.267,1166 3.343,1167 3.163,1168 3.095,1169 4.616,1170 3.101,1171 3.067,1172 3.175,1173 2.909,1174 2.808,1175 4.453,1176 2.823,1177 2.969,1178 3.074,1179 2.813,1180 2.746,1181 4.08,1182 2.749,1183 2.93,1184 3.009,1185 2.803,1186 2.671,1187 3.82,1188 2.704,1189 2.874,1190 2.97,1191 2.499,1192 2.618,1193 3.652,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.76,1201 0.206,1202 3.377,1204 7.039,1205 0.525,1206 4.301,1207 0.14,1208 3.338,1209 4.732,1211 12.086,1212 3.218,1213 1.944,1214 1.924,1215 2.03,1216 2.042,1217 1.169,1218 2.032,1219 1.804,1220 1.756,1221 1.947,1222 1.994,1223 1.138,1224 1.981,1225 1.62,1226 1.555,1227 1.789,1228 1.82,1229 0.876,1230 1.821,1231 1.266,1232 1.199,1233 1.537,1234 1.476,1235 0.594,1236 1.495,1237 0.999,1238 0.903,1239 1.417,1240 1.33,1241 0.469,1242 1.322,1243 0.934,1244 0.839,1245 1.225,1246 1.239,1247 0.198,1248 1.308,1249 0.883,1250 0.804,1251 1.143,1252 1.174,1253 0.13,1254 1.152,1255 0.809,1256 0.729,1257 1.067,1258 1.13,1259 0.031,1260 1.128,1261 3.85,1263 5.209,1264 2.398,1265 6.767,1266 4.844,1267 8.418,1268 7.081,1269 10.117,1271 5.906,1275 6.009,1276 9.922,1281 0.148,1289 23.983,1290 59.721,1291 147.447,1292 170.402,1293 175.157,1294 175.157,1295 175.157,1296 32.192,1297 6.863,1298 89.85,1299 89.85,1300 17,1301 12.548,1302 4.087,1303 3.17,1304 31.867,1305 56,1306 59,1307 0.289,1308 149.951,1309 243.59,1310 357.641,1311 7124,1313 15.146,1314 0.721,1315 0.581,1316 15.146,1317 12.2,1318 9.986,1319 0.434,1320 0.295,1321 6.68,1322 9.594,1323 6.408,1324 5.393,1325 9.986,1326 6.774,1327 9.485,1328 0.279,1329 0.157,1330 9.485,1331 5.346,1332 8.038,1333 0.171,1334 0.074,1335 8.038,1336 3.49,1337 6.619,1338 0.103,1339 0.036,1340 6.619,1341 2.314,1342 5.55,1343 0.066,1344 0.019,1345 5.55,1346 1.625,1347 0.427,1348 62.636,1349 0.26,1350 20.069,1351 0.881,1352 114,1353 318.042,1354 125.54,1355 315.504,1356 442.21,1357 294,1358 138,1359 345.323,1360 150.623,1361 350.623,1362 515.24,1363 329,1364 6.604}
{0 CHEMBL1242027,1 1.805,2 7.957,3 2.821,4 7.956,5 83.459,6 8.404,7 0.64,8 3.775,9 3.898,10 3.428,11 3.233,12 5.042,13 3.265,14 4.282,15 4.458,16 3.824,17 3.59,18 5.532,19 3.628,20 4.452,21 4.628,22 3.963,23 3.706,24 5.817,25 3.751,26 4.564,27 4.765,28 3.975,29 3.752,30 5.953,31 3.769,32 4.549,33 4.76,34 3.851,35 3.712,36 5.978,37 3.704,38 4.453,39 4.651,40 3.78,41 3.613,42 5.893,43 3.603,44 4.479,45 4.725,46 3.535,47 3.462,48 5.865,49 3.418,50 4.326,51 4.616,52 3.074,53 3.125,54 5.568,55 3.041,56 0.162,57 0.733,58 6.308,59 3.126,60 11.693,61 3.657,62 0.41,63 1.126,64 13.576,65 5.011,66 34.346,67 6.158,68 0.608,69 1.362,70 16.013,71 5.425,72 48.862,73 6.478,74 0.752,75 1.452,76 19.074,77 6.323,78 69.946,79 7.84,80 0.819,81 1.528,82 19.32,83 6.169,84 97.47,85 7.714,86 0.668,87 1.31,88 16.8,89 5.833,90 74.159,91 7.372,92 0.753,93 1.159,94 20.091,95 5.806,96 86.957,97 7.655,98 0.819,99 0.834,100 21.345,101 5.839,102 96.919,103 7.256,104 41,105 37,106 0.323,107 0.704,108 0.806,109 0.825,110 0.825,111 0.825,112 3.19,113 0.835,114 -4.89,115 -4.8,116 -4.5,118 39.5,119 2,123 1,126 1,138 2,139 2,140 3,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 1,170 2,171 8,172 1,173 1,175 1,178 3,180 1,181 1,182 5,188 2,191 2,192 7,194 3,195 3,197 1,199 3,201 1,204 3,208 1,211 2,213 1,214 1,215 5,220 3,223 2,225 3,227 1,235 2,239 2,242 1,243 1,252 2,264 683,265 15.146,266 15.146,267 15.146,268 15.146,269 15.146,270 13.21,271 15.813,272 8.553,273 15.683,274 12.222,275 12.222,276 12.222,277 12.222,278 12.222,279 9.19,280 13.295,281 3.905,282 13.034,283 3.443,284 1.315,285 0.744,286 0.639,287 0.639,288 0.639,289 3.861,292 1,293 1,294 1,295 384,296 2.915,299 44.779,300 121.602,303 85.609,307 1.183,308 38.058,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52.5,320 183,321 4.774,322 3.451,323 7.067,324 4.322,325 3.358,326 4.741,327 0.86,328 12.192,329 3.236,330 4.341,331 3.26,332 6.399,333 3.903,334 2.956,335 4.043,337 9.746,338 2.791,339 3.831,340 2.889,341 6.017,342 3.494,343 2.549,344 3.231,346 8.374,347 2.405,348 3.75,349 2.635,350 5.819,351 3.35,352 2.413,353 3.162,355 7.679,356 2.248,357 3.247,358 2.26,359 4.993,360 2.78,361 1.861,362 2.542,364 5.351,365 1.694,366 3.022,367 2.01,368 4.812,369 2.675,370 1.738,371 2.16,373 4.814,374 1.623,375 2.941,376 1.806,377 4.423,378 2.459,379 1.536,380 2.106,382 4.198,383 1.41,384 2.574,385 1.335,386 3.898,387 2.069,388 1.154,389 1.604,391 2.848,392 1.051,393 2.16,394 0.986,395 3.575,396 1.837,397 0.882,398 1.085,400 2.2,401 0.837,402 1.834,403 0.865,404 3.296,405 1.486,406 0.599,407 0.719,409 1.295,410 0.525,411 1.262,412 0.773,413 2.652,414 0.923,415 0.074,416 0.084,417 0.127,418 0.061,419 1.058,420 -0.032,421 2.588,422 0.618,423 -0.293,424 -0.374,425 -0.684,426 -0.266,427 0.781,428 -0.152,429 2.421,430 0.341,431 -0.608,432 -0.8,433 -1.708,434 -0.566,435 0.591,436 -0.373,437 2.254,438 0.104,439 -0.802,440 -0.93,441 -1.847,442 -0.665,443 0.298,444 -0.772,445 2.116,447 -0.885,448 -1,449 -2,450 -0.791,451 10.405,452 0.452,453 0.737,454 0.032,455 30.5,456 1.326,457 15,458 0.652,459 15.5,460 0.674,461 18.043,462 0.784,463 25.595,464 0.674,465 23.492,466 1.021,467 6.14,468 0.267,469 4.795,470 0.208,471 0.238,473 0.471,477 2,478 0.677,479 1.113,480 0.659,481 1.126,482 0.624,483 0.941,484 0.815,485 0.974,486 0.597,487 0.829,488 0.598,489 0.683,490 1.015,491 1.227,492 0.822,493 0.97,494 0.935,495 0.844,496 0.867,497 1.042,498 0.873,499 0.972,500 0.928,501 0.932,502 0.958,503 1.058,504 1.07,505 1.063,506 1.007,507 1.083,508 0.909,509 1.175,510 1.051,511 1.282,512 1.092,513 1.247,514 1.033,515 1.013,516 1.176,517 1.142,518 1.163,519 1.191,520 1.448,521 1.04,522 1.201,523 0.896,524 1.687,525 0.956,526 5,527 0.012,528 3.333,529 2.479,530 2.118,531 1.136,532 0.669,533 0.414,534 0.204,535 0.066,536 4564,537 15735,538 1.991,539 39.5,541 6,543 1,544 2,546 6,549 1.666,550 1.792,551 2.967,552 0.407,553 1,554 1,556 1,558 68.605,559 1.805,560 3.933,561 4.504,562 4.609,563 4.609,564 4.609,565 2.455,566 4.263,567 4.495,568 3.088,569 781.141,570 7.786,571 8478.51,572 1,573 1,574 1,575 1,576 199.421,577 1.55,578 4.413,579 0.2,580 0.004,581 0.09,582 0.06,583 0.053,584 0.033,585 0.022,586 0.019,587 0.016,588 0.009,589 0.506,590 0.33,591 1,592 1.009,593 104.205,594 -0.051,595 -0.111,596 0.033,597 -0.074,598 -0.086,599 -0.007,600 -0.038,601 -0.061,602 0.244,603 0.163,604 0.035,605 0.269,606 -0.07,607 -0.16,608 0.042,609 0.007,610 -0.028,611 0.062,612 0.06,613 -0.011,614 0.033,615 -0.016,616 0.01,617 -0.009,618 0.026,619 0.047,620 -0.142,621 -0.086,622 0.075,623 -0.146,624 0.088,625 -0.064,626 -0.136,627 -0.282,628 0.02,629 -0.303,630 0.007,631 -0.021,632 -0.149,633 -0.197,634 -0.029,635 -0.223,636 -0.086,637 0.022,638 0.013,639 0.105,640 -0.174,641 0.1,642 2.355,643 6.395,644 0.652,645 15.883,646 1.031,647 1.155,648 3.664,649 13.425,650 0.656,651 3.258,652 3.638,653 3.97,654 4.29,655 4.554,656 4.691,657 4.771,658 4.836,659 4.82,660 4.762,661 4.839,662 0.651,663 319.35,664 3.258,665 4.828,666 5.714,667 6.632,668 7.544,669 8.469,670 9.39,671 10.318,672 11.243,673 12.173,674 13.2,678 1,682 1,684 3,689 2,690 3,691 3,695 6,696 1,697 16,708 1,714 1,715 2,716 38,718 16,719 1,720 25,722 40,723 15,724 11,725 4,726 2,728 3,729 4,732 2,738 1,740 11,741 4,756 1,757 1,758 2,760 15,761 7,762 2,763 8,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 3,825 2,827 23,828 1,835 1,837 1,849 2,850 2.6,855 1,858 12.833,859 7.919,860 5.056,861 2.178,863 3.182,864 1.451,865 0.98,866 3.903,867 10.236,868 3.526,869 4.23,870 4.926,871 5.606,872 6.199,873 6.615,874 7.036,875 7.468,876 7.744,877 8.027,878 1,879 41,880 8.546,881 3.762,882 8.159,883 15.486,884 12.469,885 2.659,886 61.167,890 153.024,891 92.149,892 84.908,894 11,895 29.92,897 92.149,898 164.024,899 114.828,900 28.533,902 51.85,903 63.72,904 53.396,905 32.248,906 141.253,908 153.024,909 177.056,910 40.92,913 112.318,914 81.626,917 32.518,918 94.305,919 50.234,921 182.945,922 95.908,923 92.149,926 153.024,927 36.044,928 57.881,930 124.051,931 153.024,932 125.828,933 92.149,935 0.594,936 0.367,937 0.206,938 0.118,939 19,940 10,941 0.075,942 3,943 1,944 1.133,945 3.261,946 195.015,947 0.133,948 15,949 102.042,954 15.629,955 5.744,956 2.511,957 0.864,958 124.051,959 3.324,960 12.452,964 -1.191,965 1.601,966 32.897,967 371.001,968 33,980 39.163,981 43.872,983 0.344,984 0.749,985 0.858,986 0.878,987 0.878,988 0.878,989 4.787,990 1.154,991 5.746,992 4.198,993 4.317,994 4.916,995 0.908,996 6.648,997 4.199,998 6.05,999 0.882,1000 7.37,1001 2.848,1002 4.111,1003 4.956,1005 7.732,1006 3.943,1007 7.402,1008 0.599,1009 9.093,1010 2.2,1011 5.999,1012 7.269,1013 0.739,1014 10.881,1015 5.791,1016 8.796,1017 0.074,1018 10.871,1019 1.295,1020 6.581,1021 8.125,1023 12.781,1024 6.328,1025 10.222,1026 -0.293,1027 12.685,1028 0.127,1029 7.999,1030 9.954,1031 0.593,1032 15.476,1033 7.715,1034 11.671,1035 -0.608,1036 14.523,1037 -0.684,1038 8.923,1039 11.183,1041 17.716,1042 8.598,1043 13.14,1044 -0.802,1045 16.379,1046 -1.708,1047 10.179,1048 12.829,1049 0.469,1050 20.265,1051 9.823,1052 3.358,1053 -0.885,1054 18.25,1055 -1.847,1056 11.253,1057 14.23,1059 22.65,1060 10.858,1061 2.956,1062 12.192,1063 20.131,1064 -2,1065 12.455,1066 15.807,1067 0.366,1068 25.154,1069 12.03,1070 2.549,1071 9.746,1072 22.022,1073 4.741,1074 13.594,1075 17.287,1077 27.601,1078 13.133,1079 2.413,1080 8.374,1081 23.92,1082 4.043,1083 14.784,1084 18.84,1085 0.283,1086 30.094,1087 14.29,1088 1.861,1089 7.679,1090 25.826,1091 3.231,1092 15.953,1093 20.355,1095 32.569,1096 15.424,1097 1.738,1098 5.351,1099 27.737,1100 3.162,1101 17.143,1102 21.902,1103 0.217,1104 35.062,1105 16.58,1106 1.536,1107 4.814,1108 29.653,1109 2.542,1110 18.327,1111 23.435,1113 37.549,1114 17.73,1115 4626,1116 8722,1117 15.838,1118 24.926,1119 38.548,1120 39.661,1121 41.398,1122 38.194,1123 38.239,1124 50.953,1125 1.72,1126 117.648,1127 35.766,1128 5.458,1129 5.451,1130 6.595,1131 5.395,1132 5.358,1133 7.741,1134 1.72,1135 19.772,1136 5.236,1137 14.244,1138 1.542,1139 1.586,1140 1.656,1141 1.528,1142 1.53,1143 2.038,1144 0.069,1145 4.706,1146 1.431,1147 4.135,1148 4.181,1149 4.122,1150 3.992,1151 8.206,1152 4.018,1153 3.862,1154 3.885,1155 3.838,1156 3.732,1157 8.196,1158 3.753,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 5.253,1164 3.399,1165 3.292,1166 3.353,1167 3.191,1168 3.038,1169 4.869,1170 3.068,1171 3.139,1172 3.234,1173 2.986,1174 2.86,1175 4.721,1176 2.874,1177 2.993,1178 3.102,1179 2.913,1180 2.73,1181 4.513,1182 2.754,1183 2.94,1184 3.009,1185 2.864,1186 2.682,1187 4.202,1188 2.719,1189 2.874,1190 2.987,1191 2.543,1192 2.618,1193 4.012,1194 2.57,1195 0.191,1196 0.138,1197 0.283,1198 0.173,1199 0.134,1200 4.774,1201 0.19,1202 3.451,1203 0.034,1204 7.067,1205 0.488,1206 4.322,1207 0.129,1208 3.358,1209 4.741,1210 0.86,1211 12.192,1212 3.236,1213 1.918,1214 1.901,1215 1.966,1216 2.039,1217 1.151,1218 2.015,1219 1.792,1220 1.746,1221 1.938,1222 1.987,1223 1.095,1224 1.966,1225 1.609,1226 1.547,1227 1.766,1228 1.815,1229 0.825,1230 1.81,1231 1.227,1232 1.167,1233 1.564,1234 1.526,1235 0.571,1236 1.535,1237 1.073,1238 0.988,1239 1.417,1240 1.377,1241 0.469,1242 1.354,1243 0.934,1244 0.804,1245 1.243,1246 1.239,1247 0.253,1248 1.308,1249 0.859,1250 0.789,1251 1.134,1252 1.199,1253 0.084,1254 1.184,1255 0.828,1256 0.76,1257 1.022,1258 1.074,1259 0.03,1260 1.056,1261 3.932,1263 5.293,1264 2.398,1265 6.858,1266 4.844,1267 8.519,1268 7.081,1269 10.231,1271 5.075,1273 28.389,1275 5.907,1279 4.781,1281 -0.035,1289 24.749,1290 68.605,1291 149.447,1292 171.157,1293 175.157,1294 175.157,1295 175.157,1296 53.983,1297 7.054,1298 78.85,1299 78.85,1300 17,1301 12.676,1302 4.087,1303 3.17,1304 36.478,1305 65,1306 76,1307 0.284,1308 152.348,1309 255.73,1310 363.488,1311 9002,1312 5.3,1313 16.723,1314 0.727,1315 0.558,1316 14.983,1317 12.84,1318 10.935,1319 0.437,1320 0.278,1321 6.786,1322 10.235,1323 6.573,1324 5.488,1325 10.113,1326 6.957,1327 10.215,1328 0.276,1329 0.144,1330 9.146,1331 5.311,1332 8.722,1333 0.168,1334 0.067,1335 7.868,1336 3.504,1337 7.499,1338 0.104,1339 0.033,1340 6.666,1341 2.41,1342 6.166,1343 0.066,1344 0.017,1345 5.483,1346 1.618,1347 0.421,1348 70.599,1349 0.251,1350 21.728,1351 0.859,1352 124,1353 513.85,1354 143.976,1355 440.919,1356 589.82,1357 410,1358 151,1359 434.505,1360 171.797,1361 425.749,1362 628.79,1363 398,1364 5.754}
{0 CHEMBL1242028,1 1.843,2 7.273,3 2.57,4 6.603,5 78.69,6 8.723,7 0.667,8 3.707,9 3.828,10 3.379,11 3.175,12 5.024,13 3.214,14 4.188,15 4.354,16 3.796,17 3.546,18 5.508,19 3.587,20 4.417,21 4.596,22 3.922,23 3.646,24 5.884,25 3.697,26 4.5,27 4.71,28 3.9,29 3.654,30 5.961,31 3.68,32 4.406,33 4.608,34 3.777,35 3.606,36 5.859,37 3.608,38 4.334,39 4.514,40 3.743,41 3.541,42 5.83,43 3.54,44 4.445,45 4.697,46 3.468,47 3.393,48 5.876,49 3.347,50 4.239,51 4.537,52 2.9,53 2.959,54 5.602,55 2.862,56 0.194,57 0.706,58 5.402,59 2.805,60 22.528,61 3.093,62 0.349,63 1.096,64 10.744,65 4.586,66 38.493,67 5.499,68 0.654,69 1.304,70 14.861,71 5.124,72 79.63,73 5.925,74 0.812,75 1.321,76 17.974,77 5.704,78 106.239,79 6.95,80 0.733,81 1.342,82 15.209,83 5.055,84 92.928,85 6.284,86 0.555,87 1.194,88 12.624,89 5.036,90 64.377,91 6.357,92 0.801,93 1.095,94 19.356,95 5.571,96 101.596,97 7.245,98 0.85,99 0.731,100 20.612,101 5.592,102 122.303,103 6.977,104 38,105 36,106 0.336,107 0.745,108 0.812,109 0.832,110 0.832,111 0.832,112 3.149,113 0.821,114 -4.64,115 -4.56,116 -4.29,118 40,119 2,126 1,138 2,139 2,140 3,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 1,170 2,171 7,172 1,173 1,175 2,178 3,180 1,181 1,182 4,186 1,188 2,191 2,192 6,194 3,195 3,197 2,199 3,201 1,204 3,208 1,211 2,213 1,215 4,218 1,220 4,223 2,225 3,231 1,235 2,243 2,244 1,246 1,257 2,264 598,265 14.276,266 14.276,267 14.276,268 14.276,269 14.276,270 12.287,271 13.656,272 8.032,273 14.674,274 11.785,275 11.785,276 11.785,277 11.785,278 11.785,279 8.763,280 10.269,281 3.754,282 12.49,283 3.286,284 1.04,285 0.672,286 0.557,287 0.557,288 0.557,289 3.818,292 1,293 1,294 1,295 336,296 2.739,299 41.497,300 113.468,303 79.55,307 1.025,308 40.256,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 50.5,320 160,321 4.774,322 3.442,323 7.067,324 4.321,325 3.357,326 4.741,328 12.191,329 3.235,330 4.327,331 3.227,332 6.385,333 3.888,334 2.937,335 4.031,337 9.673,338 2.782,339 3.819,340 2.859,341 5.974,342 3.483,343 2.535,344 3.221,346 8.165,347 2.399,348 3.731,349 2.634,350 5.74,351 3.321,352 2.384,353 3.145,355 7.422,356 2.222,357 3.247,358 2.183,359 4.992,360 2.78,361 1.86,362 2.541,364 5.349,365 1.694,366 3.022,367 1.837,368 4.812,369 2.675,370 1.737,371 2.152,373 4.814,374 1.623,375 2.911,376 1.77,377 4.35,378 2.411,379 1.471,380 2.081,382 4.009,383 1.375,384 2.554,385 1.312,386 3.884,387 2.041,388 1.112,389 1.576,391 2.817,392 1.029,393 2.146,394 0.972,395 3.535,396 1.814,397 0.854,398 1.063,400 2.149,401 0.815,402 1.62,403 0.781,404 3.104,405 1.241,406 0.373,407 0.445,409 0.918,410 0.316,411 1.058,412 0.096,413 2.649,414 0.618,415 -0.293,416 -0.373,417 -0.684,418 -0.266,419 0.854,420 -0.125,421 2.443,422 0.422,423 -0.495,424 -0.612,425 -1.239,426 -0.436,427 0.661,428 -0.261,429 2.315,430 0.212,431 -0.678,432 -0.831,433 -1.809,434 -0.589,435 0.39,436 -0.76,437 2.242,438 0.019,439 -0.878,440 -1,441 -2,442 -0.788,443 0.111,444 -0.94,445 1.891,447 -1,448 -1.144,449 -2.414,450 -1,451 9.905,452 0.45,453 0.775,454 0.035,455 29.75,456 1.352,457 15,458 0.682,459 14.75,460 0.67,461 16.546,462 0.752,463 24.295,464 0.694,465 22.642,466 1.029,467 5.895,468 0.268,469 4.501,470 0.205,471 0.233,473 0.495,477 2,478 0.714,479 1.045,480 0.663,481 0.995,482 0.705,483 0.856,484 0.654,485 1.036,486 0.544,487 0.95,488 0.569,489 0.764,490 0.996,491 1.205,492 0.839,493 0.983,494 0.868,495 0.866,496 0.892,497 0.959,498 0.891,499 0.878,500 0.873,501 0.875,502 0.785,503 0.94,504 1.006,505 1.023,506 0.706,507 1.063,508 0.67,509 1.13,510 0.972,511 1.388,512 0.74,513 1.342,514 1.018,515 0.958,516 1.215,517 1.128,518 1.088,519 1.215,520 1.443,521 1.036,522 1.229,523 0.926,524 1.584,525 0.994,526 5,528 3.333,529 2.354,530 1.998,531 1.073,532 0.669,533 0.414,534 0.148,535 0.016,536 4005,537 14762,538 1.991,539 37.1,541 3,543 1,544 3,546 6,549 1.655,550 1.784,551 2.873,552 1.159,554 1,556 1,558 64.507,559 1.843,560 4.089,561 4.458,562 4.572,563 4.572,564 4.572,565 2.231,566 4.096,567 4.433,568 2.974,569 687.098,570 7.664,571 7265.67,572 1,573 1,575 1,576 179.525,577 1.539,578 4.344,579 0.208,581 0.093,582 0.06,583 0.054,584 0.034,585 0.022,586 0.021,587 0.015,588 0.005,589 0.512,590 0.33,591 1,592 0.917,593 97.628,594 -0.091,595 -0.064,596 -0.002,597 0.032,598 -0.123,599 0.047,600 0.013,601 -0.096,602 0.235,603 0.049,604 0.045,605 0.184,606 -0.08,607 -0.182,608 0.024,609 -0.022,610 0.014,611 0.037,612 0.034,613 0.031,614 0.04,615 0.057,616 0.025,617 0.052,618 0.066,619 0.076,620 -0.124,621 -0.069,622 0.107,623 -0.136,624 0.157,625 -0.118,626 -0.129,627 -0.403,628 0.086,629 -0.408,630 -0.002,631 -0.012,632 -0.153,633 -0.187,634 -0.046,635 -0.218,636 -0.066,637 -0.004,638 0.077,639 0.106,640 -0.107,641 0.137,642 2.612,643 6.129,644 0.682,645 13.983,646 1.037,647 1.156,648 3.415,649 11.66,650 0.662,651 3.219,652 3.611,653 3.932,654 4.248,655 4.522,656 4.654,657 4.71,658 4.779,659 4.718,660 4.615,661 4.584,662 0.663,663 305.32,664 3.219,665 4.796,666 5.68,667 6.6,668 7.512,669 8.438,670 9.358,671 10.287,672 11.212,673 12.142,674 14.3,678 1,682 1,684 3,689 2,690 3,691 3,695 6,696 1,697 16,708 1,713 1,715 2,716 35,718 16,719 1,720 24,722 37,723 14,724 11,725 4,726 2,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,758 2,760 13,761 7,762 3,763 8,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,825 2,827 22,828 1,832 1,837 1,849 2,850 2.9,852 1,858 12.333,859 6.952,860 4.722,861 2.02,863 3.18,864 1.457,865 0.968,866 3.454,867 10.143,868 3.497,869 4.216,870 4.904,871 5.583,872 6.18,873 6.592,874 7,875 7.438,876 7.689,877 7.951,878 0.8,879 39,880 8.19,881 3.701,882 8.303,883 14.653,884 11.993,885 2.803,886 61.667,890 117.711,891 76.022,892 84.908,894 42.683,895 29.92,897 76.022,898 160.394,899 114.828,900 17.65,902 51.85,903 106.404,904 37.152,905 32.248,906 105.94,908 117.711,909 160.93,910 72.604,913 77.005,914 113.31,917 32.518,918 78.178,919 50.234,921 147.631,922 127.591,923 76.022,926 117.711,927 30.801,928 46.998,930 155.735,931 117.711,932 157.511,933 76.022,935 0.603,936 0.364,937 0.199,938 0.118,939 19,940 10,941 0.054,942 2,943 1,944 1.133,945 3.172,946 184.377,947 0.133,948 15,949 96.107,954 14.668,955 5.181,956 2.312,957 0.783,958 155.735,959 2.865,960 12.304,964 -2.367,965 1.562,966 75.581,967 351.244,968 32,980 36.28,981 40.456,983 0.359,984 0.797,985 0.869,986 0.891,987 0.891,988 0.891,989 4.762,990 1.112,991 5.72,992 4.009,993 4.29,994 4.902,996 6.621,997 4.179,998 6.033,999 0.854,1000 7.345,1001 2.817,1002 4.111,1003 4.956,1005 7.7,1006 3.943,1007 7.388,1008 0.373,1009 9.069,1010 2.149,1011 5.974,1012 7.259,1014 10.852,1015 5.776,1016 8.783,1017 -0.293,1018 10.848,1019 0.918,1020 6.567,1021 8.118,1023 12.749,1024 6.319,1025 10.209,1026 -0.495,1027 12.662,1028 -0.684,1029 7.976,1030 9.946,1032 15.45,1033 7.702,1034 11.658,1035 -0.678,1036 14.499,1037 -1.239,1038 8.904,1039 11.176,1041 17.691,1042 8.587,1043 13.127,1044 -0.878,1045 16.355,1046 -1.809,1047 10.158,1048 12.822,1050 20.244,1051 9.812,1052 3.357,1053 -1,1054 18.225,1055 -2,1056 11.233,1057 14.224,1059 22.632,1060 10.848,1061 2.937,1062 12.191,1063 20.107,1064 -2.414,1065 12.435,1066 15.801,1068 25.139,1069 12.02,1070 2.535,1071 9.673,1072 21.998,1073 4.741,1074 13.575,1075 17.281,1077 27.589,1078 13.123,1079 2.384,1080 8.165,1081 23.898,1082 4.031,1083 14.765,1084 18.834,1086 30.084,1087 14.281,1088 1.86,1089 7.422,1090 25.804,1091 3.221,1092 15.935,1093 20.35,1095 32.56,1096 15.416,1097 1.737,1098 5.349,1099 27.716,1100 3.145,1101 17.126,1102 21.897,1104 35.054,1105 16.573,1106 1.471,1107 4.814,1108 29.633,1109 2.541,1110 18.311,1111 23.431,1113 37.542,1114 17.723,1115 4057,1116 7921,1117 15.145,1118 23.165,1119 37.636,1120 38.136,1121 39.687,1122 37.284,1123 37.241,1124 49.996,1126 115.015,1127 34.981,1128 5.451,1129 5.442,1130 6.595,1131 5.394,1132 5.357,1133 7.741,1135 19.769,1136 5.235,1137 13.733,1138 1.568,1139 1.589,1140 1.654,1141 1.553,1142 1.552,1143 2.083,1145 4.792,1146 1.458,1147 4.134,1148 4.18,1149 4.121,1150 3.992,1151 8.206,1152 4.017,1153 3.854,1154 3.879,1155 3.831,1156 3.728,1157 8.196,1158 3.749,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 6.464,1164 3.399,1165 3.216,1166 3.291,1167 3.146,1168 2.985,1169 5.252,1170 3.021,1171 3.012,1172 3.116,1173 2.944,1174 2.73,1175 4.864,1176 2.756,1177 2.942,1178 3.009,1179 2.875,1180 2.694,1181 4.531,1182 2.734,1183 2.874,1184 2.99,1185 2.722,1186 2.618,1187 4.279,1188 2.621,1189 2.838,1190 2.887,1191 2.499,1192 2.594,1193 4.034,1194 2.57,1195 0.199,1196 0.143,1197 0.294,1198 0.18,1199 0.14,1200 4.774,1201 0.198,1202 3.442,1204 7.067,1205 0.508,1206 4.321,1207 0.135,1208 3.357,1209 4.741,1211 12.191,1212 3.235,1213 1.916,1214 1.899,1215 1.964,1216 2.038,1217 1.151,1218 2.014,1219 1.79,1220 1.744,1221 1.936,1222 1.983,1223 1.087,1224 1.963,1225 1.607,1226 1.545,1227 1.761,1228 1.81,1229 0.815,1230 1.806,1231 1.141,1232 1.087,1233 1.417,1234 1.411,1235 0.469,1236 1.377,1237 0.934,1238 0.804,1239 1.257,1240 1.239,1241 0.253,1242 1.308,1243 0.879,1244 0.794,1245 1.153,1246 1.238,1247 0.084,1248 1.216,1249 0.829,1250 0.778,1251 1.023,1252 1.082,1253 0.03,1254 1.065,1255 0.76,1256 0.672,1257 0.988,1258 1.073,1260 1.04,1261 3.892,1263 5.263,1264 2.398,1265 6.83,1266 4.844,1267 8.491,1268 7.081,1269 10.204,1271 3.755,1273 27.726,1275 5.856,1276 9.243,1281 -0.06,1289 23.222,1290 64.507,1291 143.119,1292 156.015,1293 160.015,1294 160.015,1295 160.015,1296 54.71,1297 6.962,1298 89.85,1299 89.85,1300 17,1301 12.645,1302 4.087,1303 3.17,1304 34.079,1305 59,1306 60,1307 0.293,1308 142.755,1309 238.43,1310 340.083,1311 8013,1312 5.7,1313 16.016,1314 0.728,1315 0.54,1316 14.276,1317 11.879,1318 10.397,1319 0.433,1320 0.274,1321 6.424,1322 9.783,1323 6.264,1324 5.2,1325 9.575,1326 6.569,1327 10.024,1328 0.278,1329 0.142,1330 8.977,1331 5.128,1332 8.433,1333 0.169,1334 0.066,1335 7.459,1336 3.299,1337 7.079,1338 0.103,1339 0.033,1340 6.355,1341 2.262,1342 5.904,1343 0.065,1344 0.017,1345 5.373,1346 1.543,1347 0.431,1348 66.833,1349 0.257,1350 20.798,1351 0.901,1352 120,1353 498.265,1354 139.202,1355 430.94,1356 573.12,1357 398,1358 146,1359 422.99,1360 165.801,1361 413.327,1362 611.1,1363 388,1364 5.569}
{0 CHEMBL1242029,1 1.572,2 7.286,3 2.41,4 5.807,5 83.026,6 7.457,7 0.696,8 3.752,9 3.884,10 3.326,11 3.238,12 4.902,13 3.235,14 4.253,15 4.443,16 3.684,17 3.597,18 5.329,19 3.586,20 4.402,21 4.598,22 3.758,23 3.716,24 5.478,25 3.693,26 4.512,27 4.736,28 3.76,29 3.763,30 5.602,31 3.714,32 4.494,33 4.72,34 3.615,35 3.74,36 5.497,37 3.664,38 4.421,39 4.629,40 3.546,41 3.67,42 5.49,43 3.587,44 4.503,45 4.779,46 3.245,47 3.541,48 5.5,49 3.395,50 4.303,51 4.616,52 2.766,53 3.205,54 5.082,55 3.011,56 0.054,57 0.603,58 7.854,59 3.07,60 9.191,61 4.213,62 0.213,63 0.913,64 14.719,65 4.929,66 20.579,67 6.964,68 0.199,69 1.061,70 17.035,71 5.284,72 18.922,73 7.822,74 0.309,75 1.143,76 19.706,77 6.177,78 31.444,79 9.159,80 0.275,81 1.087,82 19.406,83 6.008,84 26.481,85 9.068,86 0.181,87 1.016,88 17.415,89 5.861,90 23.387,91 8.7,92 0.412,93 0.938,94 21.344,95 6.1,96 46.549,97 9.543,98 0.24,99 0.657,100 18.758,101 5.75,102 27.38,103 8.733,104 21,105 33,106 0.281,107 0.662,108 0.788,109 0.825,110 0.825,111 0.825,112 3.105,113 0.88,114 -4.38,115 -4.31,116 -4.06,118 39.5,119 2,123 1,126 1,138 4,139 2,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 9,172 1,173 1,175 1,178 6,180 1,181 1,182 7,188 4,191 2,192 8,194 3,195 3,197 1,199 3,201 1,203 1,204 7,208 2,211 3,213 2,214 1,215 5,220 3,223 4,225 3,227 2,228 2,230 1,231 1,233 1,235 2,237 1,240 2,247 2,264 538,265 14.146,266 14.146,267 14.146,268 14.146,269 14.146,270 12.315,271 13.8,272 8.188,273 14.586,274 11.277,275 11.277,276 11.277,277 11.277,278 11.277,279 8.41,280 12.151,281 3.764,282 11.885,283 3.676,284 1.548,285 0.849,286 0.639,287 0.639,288 0.639,289 3.781,292 1,293 1,294 1,295 323,296 2.739,299 39.203,300 107.011,303 75.153,307 1.061,308 16.049,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 45.5,320 153,321 4.759,322 3.375,323 7.039,324 4.3,325 3.336,326 4.731,327 0.86,328 12.085,329 3.215,330 4.094,331 2.894,332 6.158,333 3.687,334 2.72,335 3.71,337 8.894,338 2.626,339 3.797,340 2.659,341 5.793,342 3.449,343 2.498,344 3.202,346 7.753,347 2.372,348 3.551,349 2.395,350 5.257,351 3.145,352 2.207,353 2.913,355 6.515,356 2.063,357 3.028,358 1.823,359 4.818,360 2.683,361 1.742,362 2.222,364 4.817,365 1.635,366 2.977,367 1.602,368 4.408,369 2.465,370 1.525,371 2.126,373 4.02,374 1.429,375 2.695,376 1.27,377 3.859,378 2.193,379 1.225,380 1.784,382 2.807,383 1.183,384 2.457,385 1,386 3.521,387 1.964,388 1,389 1.438,391 2.528,392 0.962,393 2.112,394 0.935,395 3.446,396 1.739,397 0.779,398 1.008,400 1.979,401 0.746,402 1.583,403 0.811,404 2.717,405 1.293,406 0.427,407 0.48,409 0.621,410 0.366,411 1.062,412 -0.151,413 2.582,414 0.631,415 -0.286,416 -0.363,417 -0.667,418 -0.261,419 0.834,420 -0.38,421 2.416,422 0.392,423 -0.577,424 -0.782,425 -1.358,426 -0.557,427 0.606,428 -0.624,429 2.252,430 0.158,431 -0.786,432 -1,433 -2,434 -0.728,435 0.556,436 -0.814,437 2,438 0.063,439 -0.881,440 -1.02,441 -2.003,442 -0.828,443 0.157,444 -1,445 1.672,447 -1,448 -1.162,449 -2.467,450 -1,451 9.833,452 0.468,453 0.559,454 0.027,455 29,456 1.381,457 15,458 0.714,459 14,460 0.667,461 15.288,462 0.728,463 22.567,464 0.594,465 19.867,466 0.946,467 5.702,468 0.272,469 4.412,470 0.21,471 0.193,473 0.397,478 0.894,479 1.345,480 0.786,481 1.13,482 1.083,483 0.967,484 1.082,485 1.023,486 0.727,487 0.821,488 0.749,489 0.743,490 1.161,491 1.229,492 0.903,493 0.961,494 0.888,495 0.896,496 0.895,497 0.988,498 0.932,499 0.958,500 0.937,501 0.946,502 1.045,503 1.073,504 1.118,505 1.033,506 0.965,507 1.067,508 0.91,509 1.373,510 1.178,511 1.369,512 1.15,513 1.319,514 0.939,515 0.885,516 1.212,517 1.062,518 1.378,519 1.15,520 1.031,521 0.801,522 0.948,523 0.956,524 0.766,525 0.955,526 4,528 2.444,529 1.979,530 1.656,531 0.778,532 0.478,533 0.299,534 0.123,535 0.016,536 3674,537 9693,538 2.045,539 44.7,541 8,543 1,544 2,546 6,549 1.641,550 1.881,551 2.883,552 0.378,553 1,554 1,556 1,558 59.721,559 1.572,560 3.7,561 4.399,562 4.609,563 4.609,564 4.609,565 2.244,566 4.107,567 4.363,568 2.983,569 626.432,570 7.521,571 6445.86,572 1,573 1,575 1,576 199.421,577 1.51,578 4.305,579 0.174,581 0.074,582 0.057,583 0.049,584 0.027,585 0.018,586 0.018,587 0.012,588 0.005,589 0.434,590 0.5,591 1,592 0.988,593 92.018,594 0.006,595 -0.124,596 0.061,597 -0.074,598 -0.165,599 -0.009,600 0.035,601 0.071,602 0.21,603 0.178,604 0.141,605 0.207,606 -0.13,607 -0.117,608 0.025,609 0.012,610 -0.009,611 0.038,612 0.06,613 0.089,614 0.014,615 -0.004,616 0.07,617 -0.007,618 -0.134,619 -0.015,620 -0.181,621 -0.065,622 -0.084,623 -0.115,624 -0.049,625 -0.31,626 -0.266,627 -0.374,628 -0.114,629 -0.356,630 0.055,631 0.045,632 -0.209,633 -0.133,634 -0.159,635 -0.193,636 -0.011,637 -0.055,638 0.11,639 0.022,640 0.13,641 0.076,642 1.232,643 2.043,644 0.714,645 13.732,646 1.004,647 1.137,648 3.147,649 9.902,650 0.659,651 3.178,652 3.526,653 3.85,654 4.174,655 4.431,656 4.543,657 4.615,658 4.673,659 4.595,660 4.511,661 4.573,662 0.631,663 283.37,664 3.178,665 4.727,666 5.602,667 6.509,668 7.412,669 8.329,670 9.242,671 10.163,672 11.081,673 12.005,674 13.2,678 1,682 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,708 1,714 1,716 38,718 16,719 1,720 23,722 40,723 15,724 11,725 2,726 4,728 3,729 4,732 2,738 1,740 11,741 4,756 1,757 1,760 17,761 5,762 2,763 6,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 3,827 21,828 1,835 1,837 1,850 2.6,855 1,858 11.167,859 7.8,860 4.667,861 2.204,863 3.149,864 1.459,865 0.979,866 3.516,867 10.011,868 3.466,869 4.139,870 4.835,871 5.522,872 6.105,873 6.498,874 6.929,875 7.349,876 7.57,877 7.836,878 0.8,879 35,880 7.693,881 3.2,882 7.683,883 14.644,884 11.721,885 2.183,886 45.833,890 176.567,891 92.859,892 84.908,894 11,897 92.859,898 187.566,899 84.908,900 28.533,902 70.802,903 63.72,904 35.154,905 2.328,906 164.795,908 176.567,909 177.767,910 11,913 105.94,914 81.626,917 32.518,918 95.015,919 50.234,921 176.567,922 95.908,923 92.859,926 176.567,927 17.802,928 76.834,930 94.131,931 176.567,932 95.908,933 92.859,935 0.583,936 0.355,937 0.202,938 0.118,939 17,940 8,941 0.075,942 3,943 1,944 1.133,945 3.178,946 169.479,947 0.133,948 15,949 90.239,954 13.835,955 5.337,956 2.339,957 1.523,958 94.131,959 9.188,960 13.095,964 2.913,965 1.863,966 32.897,967 365.333,968 31,980 38.138,981 43.192,983 0.299,984 0.705,985 0.838,986 0.878,987 0.878,988 0.878,989 4.7,990 1,991 5.609,992 2.807,993 4.205,994 4.824,995 0.908,996 6.485,997 4.111,998 5.94,999 0.779,1000 7.209,1001 2.528,1002 3.892,1003 4.745,1005 7.532,1006 3.765,1007 7.274,1008 0.427,1009 8.912,1010 1.979,1011 5.849,1012 7.149,1013 0.739,1014 10.685,1015 5.677,1016 8.651,1017 -0.286,1018 10.676,1019 0.621,1020 6.365,1021 7.939,1023 12.59,1024 6.16,1025 10.065,1026 -0.577,1027 12.48,1028 -0.667,1029 7.82,1030 9.819,1031 0.593,1032 15.285,1033 7.58,1034 11.505,1035 -0.786,1036 14.312,1037 -1.358,1038 8.71,1039 11.02,1041 17.54,1042 8.435,1043 12.967,1044 -0.881,1045 16.165,1046 -2,1047 9.983,1048 12.692,1049 0.469,1050 20.09,1051 9.675,1052 3.336,1053 -1,1054 18.034,1055 -2.003,1056 11.042,1057 14.087,1059 22.487,1060 10.699,1061 2.72,1062 12.085,1063 19.917,1064 -2.467,1065 12.253,1066 15.679,1067 0.366,1068 24.992,1069 11.877,1070 2.498,1071 8.894,1072 21.81,1073 4.731,1074 13.388,1075 17.161,1077 27.446,1078 12.976,1079 2.207,1080 7.753,1081 23.712,1082 3.71,1083 14.583,1084 18.724,1085 0.283,1086 29.939,1087 14.136,1088 1.742,1089 6.515,1090 25.621,1091 3.202,1092 15.752,1093 20.245,1095 32.415,1096 15.269,1097 1.525,1098 4.817,1099 27.537,1100 2.913,1101 16.945,1102 21.8,1103 0.217,1104 34.905,1105 16.427,1106 1.225,1107 4.02,1108 29.458,1109 2.222,1110 18.131,1111 23.338,1113 37.39,1114 17.576,1115 3696,1116 6120,1117 15.027,1118 25.051,1119 35.147,1120 35.341,1121 36.944,1122 34.879,1123 34.92,1124 47.223,1125 1.72,1126 104.039,1127 33.197,1128 5.437,1129 5.375,1130 6.628,1131 5.372,1132 5.336,1133 7.731,1134 1.72,1135 19.548,1136 5.215,1137 11.017,1138 1.528,1139 1.537,1140 1.606,1141 1.516,1142 1.518,1143 2.053,1144 0.075,1145 4.523,1146 1.443,1147 4.132,1148 4.179,1149 4.114,1150 3.993,1151 5.257,1152 4.015,1153 3.841,1154 3.869,1155 3.784,1156 3.733,1157 4.907,1158 3.744,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 4.805,1164 3.399,1165 3.275,1166 3.34,1167 3.153,1168 3.02,1169 4.513,1170 3.046,1171 3.166,1172 3.254,1173 3.009,1174 2.922,1175 4.338,1176 2.931,1177 2.999,1178 3.109,1179 2.875,1180 2.694,1181 4.064,1182 2.73,1183 2.874,1184 3.009,1185 2.632,1186 2.638,1187 3.711,1188 2.625,1189 2.788,1190 2.863,1191 2.533,1192 2.618,1193 3.542,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.759,1201 0.206,1202 3.375,1203 0.037,1204 7.039,1205 0.525,1206 4.3,1207 0.14,1208 3.336,1209 4.731,1210 0.86,1211 12.085,1212 3.215,1213 1.929,1214 1.909,1215 2.011,1216 2.038,1217 1.154,1218 2.023,1219 1.796,1220 1.748,1221 1.946,1222 1.985,1223 1.114,1224 1.974,1225 1.612,1226 1.547,1227 1.777,1228 1.813,1229 0.837,1230 1.813,1231 1.216,1232 1.152,1233 1.571,1234 1.521,1235 0.574,1236 1.536,1237 1.118,1238 1.045,1239 1.417,1240 1.389,1241 0.469,1242 1.369,1243 0.934,1244 0.804,1245 1.274,1246 1.239,1247 0.298,1248 1.308,1249 0.88,1250 0.785,1251 1.167,1252 1.216,1253 0.146,1254 1.21,1255 0.79,1256 0.721,1257 1.068,1258 1.063,1259 0.04,1260 1.058,1261 3.85,1263 5.187,1264 2.398,1265 6.732,1266 4.844,1267 8.374,1268 7.081,1269 10.067,1271 5.752,1275 6.043,1279 5.276,1281 0.182,1289 23.983,1290 59.721,1291 140.592,1292 167.157,1293 175.157,1294 175.157,1295 175.157,1296 27.079,1297 6.862,1298 78.85,1299 78.85,1300 17,1301 12.512,1302 4.087,1303 3.17,1304 31.842,1305 56,1306 63,1307 0.288,1308 149.951,1309 243.59,1310 357.641,1311 7210,1313 14.983,1314 0.713,1315 0.583,1316 14.983,1317 12.239,1318 10.113,1319 0.44,1320 0.293,1321 6.626,1322 9.632,1323 6.37,1324 5.369,1325 10.113,1326 6.746,1327 9.158,1328 0.278,1329 0.154,1330 9.158,1331 5.076,1332 7.8,1333 0.17,1334 0.073,1335 7.8,1336 3.35,1337 6.733,1338 0.105,1339 0.036,1340 6.733,1341 2.328,1342 5.588,1343 0.067,1344 0.019,1345 5.588,1346 1.596,1347 0.425,1348 63.938,1349 0.258,1350 20.1,1351 0.877,1352 112,1353 325.628,1354 124.315,1355 316.829,1356 445.82,1357 298,1358 135,1359 345.838,1360 148.288,1361 350.603,1362 514.11,1363 328,1364 6.202}
{0 CHEMBL1242030,1 1.793,2 8.958,3 1.81,4 3.275,5 95.398,6 8.249,7 0.615,8 3.858,9 3.978,10 3.672,11 3.388,12 4.98,13 3.358,14 4.381,15 4.55,16 3.922,17 3.741,18 5.744,19 3.716,20 4.585,21 4.782,22 3.926,23 3.847,24 5.772,25 3.811,26 4.622,27 4.843,28 3.961,29 3.897,30 5.788,31 3.832,32 4.608,33 4.809,34 3.795,35 3.866,36 5.772,37 3.791,38 4.549,39 4.764,40 3.634,41 3.768,42 5.678,43 3.666,44 4.538,45 4.819,46 3.39,47 3.617,48 5.491,49 3.451,50 4.335,51 4.637,52 3.344,53 3.359,54 5.329,55 3.171,56 0.14,57 0.713,58 10.59,59 3.7,60 19.007,61 4.451,62 0.421,63 1.07,64 19.292,65 6.31,66 58.827,67 7.927,68 0.478,69 1.225,70 20.647,71 6.335,72 58.462,73 8.392,74 0.419,75 1.285,76 23.768,77 7.705,78 41.776,79 10.288,80 0.403,81 1.212,82 22.26,83 7.315,84 49.205,85 9.616,86 0.346,87 1.116,88 19.432,89 7.012,90 46.261,91 9.706,92 0.404,93 1.005,94 23.297,95 6.822,96 49.747,97 10.139,98 0.394,99 0.754,100 21.8,101 6.695,102 44.817,103 9.563,104 42,105 39,106 0.312,107 0.674,108 0.779,109 0.795,110 0.795,111 0.795,112 3.229,113 1.064,114 -3.53,115 -3.5,116 -3.34,118 35.7,119 2,123 1,126 1,138 4,139 2,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 4,170 3,171 7,172 1,173 3,175 3,178 6,180 1,181 1,182 5,186 2,188 4,191 2,192 12,194 3,195 3,197 2,199 4,201 1,204 10,208 2,211 2,213 2,215 8,218 1,220 5,223 4,225 4,231 1,235 4,239 2,240 2,243 2,244 1,246 1,251 2,257 2,264 800,265 15.378,266 15.378,267 15.378,268 15.378,269 15.378,270 13.171,271 14.36,272 8.745,273 15.749,274 12.838,275 12.838,276 12.838,277 12.838,278 12.838,279 9.396,280 10.975,281 4.141,282 13.462,283 3.599,284 1.514,285 0.911,286 0.816,287 0.816,288 0.816,289 3.901,292 1,293 1,294 1,295 451,296 3.674,299 50.939,300 134.038,303 96.483,307 1.469,308 29.187,310 1,311 1,312 1,313 1,314 0.8,316 1,317 1,318 0.83,319 53,320 215,321 4.758,322 4.311,323 7.038,324 4.298,325 3.335,326 4.73,328 12.08,329 3.214,330 4.643,331 3.373,332 6.455,333 4.073,334 3.138,335 4.441,337 10.195,338 2.916,339 4.045,340 2.751,341 6.146,342 3.635,343 2.664,344 3.657,346 8.812,347 2.583,348 3.795,349 2.602,350 5.762,351 3.434,352 2.478,353 3.202,355 7.619,356 2.365,357 3.578,358 2.336,359 5.207,360 3.153,361 2.191,362 2.964,364 6.531,365 2.102,366 3.03,367 1.821,368 4.819,369 2.683,370 1.742,371 2.237,373 4.818,374 1.636,375 2.979,376 1.539,377 4.454,378 2.453,379 1.511,380 2.125,382 4.132,383 1.418,384 2.525,385 1.088,386 3.861,387 2.011,388 1.066,389 1.535,391 2.764,392 1.005,393 2.5,394 1,395 3.492,396 2,397 1,398 1.5,400 2.275,401 1,402 2.128,403 0.871,404 3.414,405 1.78,406 0.817,407 1.034,409 2.058,410 0.785,411 1.328,412 0.734,413 3.128,414 0.988,415 0.031,416 0.038,417 0.084,418 0.029,419 1.057,420 0.055,421 2.588,422 0.616,423 -0.297,424 -0.38,425 -0.698,426 -0.271,427 1,428 -0.171,429 2.415,430 0.284,431 -0.685,432 -0.879,433 -2,434 -0.653,435 0.711,436 -0.683,437 2.252,438 0.062,439 -0.881,440 -1,441 -2.025,442 -0.777,443 0.534,444 -0.824,445 2,447 -1,448 -1.142,449 -2.454,450 -0.84,451 11.4,452 0.475,453 0.912,454 0.038,455 33.75,456 1.406,457 18,458 0.75,459 15.75,460 0.656,461 18.246,462 0.76,463 26.4,464 0.629,465 24.922,466 1.038,467 6.281,468 0.262,469 4.979,470 0.207,471 0.225,472 0.073,473 0.342,478 0.617,479 1.42,480 0.822,481 1.277,482 0.781,483 0.959,484 0.588,485 1.179,486 0.959,487 1.101,488 0.467,489 0.865,490 1.376,491 1.075,492 0.87,493 0.745,494 1.241,495 0.882,496 0.725,497 0.946,498 0.863,499 0.911,500 0.528,501 0.903,502 1.155,503 1.102,504 1.08,505 1.046,506 0.966,507 1.144,508 0.916,509 1.201,510 0.916,511 1.071,512 0.887,513 1.277,514 0.717,515 0.903,516 0.901,517 0.929,518 0.635,519 1.12,520 0.302,521 0.762,522 0.617,523 0.863,524 0.422,525 0.87,526 6.5,527 0.161,528 2.889,529 2.354,530 1.976,531 0.973,532 0.549,533 0.395,534 0.244,535 0.3,536 5675,537 18658,538 1.982,539 42.9,541 8,543 1,544 3,546 6,549 1.671,550 1.789,551 3.103,552 1.121,553 1,554 1,556 1,558 75.306,559 1.793,560 3.878,561 4.481,562 4.576,563 4.576,564 4.576,565 2.527,566 4.054,567 4.553,568 3.33,569 919.02,570 7.869,571 10607.1,572 1,573 1,575 1,576 226.477,577 1.75,578 4.469,579 0.25,580 0.011,581 0.074,582 0.062,583 0.051,584 0.029,585 0.02,586 0.022,587 0.015,588 0.019,589 0.553,590 0.33,591 1,592 1.181,593 112.786,594 0.078,595 -0.137,596 0.215,597 -0.083,598 -0.209,599 0.023,600 0.314,601 -0.043,602 0.032,603 -0.038,604 0.354,605 0.099,606 -0.311,607 -0.026,608 -0.088,609 0.101,610 -0.224,611 0.018,612 0.034,613 0.11,614 0.027,615 0.033,616 0.072,617 0.063,618 -0.261,619 -0.064,620 -0.256,621 -0.129,622 -0.111,623 -0.193,624 -0.134,625 -0.217,626 -0.196,627 -0.221,628 -0.12,629 -0.311,630 -0.046,631 -0.001,632 -0.041,633 -0.062,634 -0.099,635 -0.12,636 0.438,637 0.027,638 0.41,639 0.119,640 0.246,641 0.21,642 4.23,643 4.293,644 0.625,645 20.444,646 1.015,647 1.139,648 2.298,649 5.281,650 0.67,651 3.296,652 3.689,653 3.912,654 4.248,655 4.489,656 4.605,657 4.71,658 4.82,659 4.804,660 4.868,661 5.626,662 0.641,663 346.46,664 3.296,665 4.875,666 5.727,667 6.648,668 7.528,669 8.452,670 9.346,671 10.271,672 11.173,673 12.098,674 14.3,678 1,679 1,682 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,708 1,716 42,718 18,719 1,720 26,722 44,723 15,724 11,725 2,726 4,728 3,729 4,732 2,738 1,740 11,741 4,744 2,747 1,749 2,756 1,757 1,760 18,761 7,762 3,763 9,764 1,769 6,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,821 1,823 3,827 24,828 1,831 1,834 1,837 1,850 4.8,853 2,858 13.417,859 8.383,860 5.042,861 2.322,863 3.309,864 1.464,865 0.991,866 4.197,867 10.441,868 3.611,869 4.327,870 4.874,871 5.572,872 6.149,873 6.548,874 6.999,875 7.458,876 7.709,877 8.055,878 0.833,879 38,880 8.978,881 3.99,882 7.99,883 16.542,884 13.608,885 2.49,886 59.75,890 176.567,891 92.487,892 101.313,894 44.313,896 5.807,897 86.68,898 220.879,899 101.313,900 24.841,902 76.61,903 124.438,904 21.667,905 2.328,906 164.795,908 176.567,909 187.992,910 44.313,911 5.807,913 105.94,914 114.94,917 32.518,918 88.836,919 72.447,921 176.567,922 145.626,923 92.487,925 5.807,926 176.567,927 15.315,928 73.141,929 16.405,930 127.444,931 176.567,932 145.626,933 92.487,935 0.602,936 0.323,937 0.183,938 0.106,939 20,940 10,941 0.091,942 4,943 1,944 1.133,945 3.432,946 199.87,947 0.133,948 15,949 102.039,953 1,954 16.681,955 6.039,956 3.377,957 1.362,958 143.849,959 8.34,960 12.967,964 2.32,965 1.797,966 49.302,967 414.679,968 36,971 -3.313,973 22.587,980 42.643,981 47.82,983 0.333,984 0.719,985 0.831,986 0.849,987 0.849,988 0.849,989 4.875,990 1.066,991 5.79,992 4.132,993 4.369,994 5.014,996 6.681,997 4.278,998 6.163,999 1,1000 7.405,1001 2.764,1002 4.29,1003 5.231,1005 7.892,1006 4.133,1007 7.543,1008 0.817,1009 9.125,1010 2.275,1011 6.094,1012 7.426,1014 10.918,1015 5.909,1016 8.961,1017 0.031,1018 10.903,1019 2.058,1020 6.746,1021 8.399,1023 12.879,1024 6.496,1025 10.409,1026 -0.297,1027 12.717,1028 0.084,1029 8.131,1030 10.165,1032 15.512,1033 7.85,1034 11.879,1035 -0.685,1036 14.554,1037 -0.698,1038 9.083,1039 11.453,1041 17.769,1042 8.742,1043 13.364,1044 -0.881,1045 16.409,1046 -2,1047 10.325,1048 13.068,1050 20.281,1051 9.949,1052 3.335,1053 -1,1054 18.277,1055 -2.025,1056 11.406,1057 14.493,1059 22.663,1060 10.977,1061 3.138,1062 12.08,1063 20.156,1064 -2.454,1065 12.601,1066 16.053,1068 25.142,1069 12.133,1070 2.664,1071 10.195,1072 22.043,1073 4.73,1074 13.738,1075 17.538,1077 27.577,1078 13.222,1079 2.478,1080 8.812,1081 23.937,1082 4.441,1083 14.919,1084 19.079,1086 30.05,1087 14.365,1088 2.191,1089 7.619,1090 25.838,1091 3.657,1092 16.081,1093 20.591,1095 32.51,1096 15.484,1097 1.742,1098 6.531,1099 27.744,1100 3.202,1101 17.262,1102 22.128,1104 34.985,1105 16.625,1106 1.511,1107 4.818,1108 29.655,1109 2.964,1110 18.436,1111 23.653,1113 37.457,1114 17.76,1115 5704,1116 10491,1117 16.414,1118 28.159,1119 40.27,1120 41.34,1121 41.554,1122 40.035,1123 39.949,1124 54.93,1126 122.737,1127 38.106,1128 5.511,1129 6.311,1130 6.566,1131 5.371,1132 5.335,1133 7.73,1135 19.531,1136 5.214,1137 15.177,1138 1.549,1139 1.59,1140 1.598,1141 1.54,1142 1.536,1143 2.113,1145 4.721,1146 1.466,1147 4.139,1148 4.183,1149 4.716,1150 4.022,1151 7.718,1152 4.023,1153 3.981,1154 3.97,1155 4.111,1156 3.909,1157 6.999,1158 3.825,1159 3.759,1160 3.757,1161 3.755,1162 3.692,1163 5.256,1164 3.642,1165 3.576,1166 3.653,1167 3.445,1168 3.405,1169 4.883,1170 3.398,1171 3.197,1172 3.281,1173 3.113,1174 2.979,1175 4.706,1176 3.005,1177 3.003,1178 3.113,1179 2.883,1180 2.735,1181 4.479,1182 2.734,1183 2.874,1184 3.009,1185 2.687,1186 2.695,1187 4.084,1188 2.715,1189 2.854,1190 2.93,1191 2.682,1192 2.618,1193 3.831,1194 2.614,1195 0.183,1196 0.166,1197 0.271,1198 0.165,1199 0.128,1200 4.758,1201 0.182,1202 4.311,1204 7.038,1205 0.465,1206 4.298,1207 0.124,1208 3.335,1209 4.73,1211 12.08,1212 3.214,1213 1.949,1214 1.932,1215 2.017,1216 2.047,1217 1.162,1218 2.055,1219 1.81,1220 1.778,1221 1.946,1222 2.003,1223 1.134,1224 1.99,1225 1.679,1226 1.687,1227 1.777,1228 1.85,1229 0.957,1230 1.884,1231 1.589,1232 1.537,1233 1.605,1234 1.752,1235 0.823,1236 1.787,1237 1.139,1238 1.076,1239 1.417,1240 1.4,1241 0.469,1242 1.375,1243 0.934,1244 0.821,1245 1.272,1246 1.239,1247 0.314,1248 1.308,1249 0.886,1250 0.804,1251 1.181,1252 1.231,1253 0.218,1254 1.227,1255 0.885,1256 0.786,1257 1.165,1258 1.095,1259 0.069,1260 1.107,1261 3.97,1263 5.342,1264 2.398,1265 6.891,1266 4.844,1267 8.522,1268 7.081,1269 10.201,1271 5.123,1275 6.025,1278 2.429,1281 0.113,1289 26.906,1290 75.306,1291 162.894,1292 188.213,1293 192.213,1294 192.213,1295 192.213,1296 46.66,1297 7.132,1298 115.79,1299 124.17,1300 17,1301 12.608,1302 4.248,1303 3.459,1304 39.234,1305 79,1306 78,1307 0.248,1308 171.873,1309 281.89,1310 411.13,1311 10402,1313 17.483,1314 0.728,1315 0.599,1316 17.733,1317 14.372,1318 11.26,1319 0.433,1320 0.355,1321 7.374,1322 10.018,1323 6.928,1324 5.821,1325 12.187,1326 9.221,1327 11.502,1328 0.295,1329 0.193,1330 12.885,1331 7.544,1332 8.191,1333 0.167,1334 0.083,1335 8.642,1336 4.075,1337 7.327,1338 0.106,1339 0.044,1340 7.863,1341 3.032,1342 5.978,1343 0.068,1344 0.023,1345 6.343,1346 1.991,1347 0.38,1348 80.35,1349 0.247,1350 23.07,1351 0.705,1352 130,1353 410.557,1354 175.663,1355 421.408,1356 572.92,1357 386,1358 153,1359 411.368,1360 206.349,1361 447.831,1362 645.61,1363 416,1364 4}
{0 CHEMBL1242031,1 1.829,2 7.435,3 1.254,4 1.573,5 89.905,6 8.524,7 0.64,8 3.795,9 3.913,10 3.637,11 3.335,12 4.954,13 3.31,14 4.304,15 4.462,16 3.918,17 3.705,18 5.759,19 3.682,20 4.503,21 4.683,22 3.947,23 3.823,24 5.752,25 3.79,26 4.6,27 4.809,28 3.945,29 3.842,30 5.845,31 3.796,32 4.536,33 4.74,34 3.826,35 3.8,36 5.698,37 3.738,38 4.482,39 4.673,40 3.809,41 3.751,42 5.751,43 3.67,44 4.556,45 4.806,46 3.701,47 3.652,48 5.687,49 3.53,50 4.408,51 4.686,52 3.488,53 3.406,54 5.749,55 3.229,56 0.152,57 0.674,58 9.508,59 3.395,60 23.726,61 3.878,62 0.411,63 1.008,64 15.731,65 5.769,66 72.8,67 7.048,68 0.386,69 1.174,70 19.527,71 6.561,72 42,73 8.058,74 0.517,75 1.234,76 21.677,77 6.987,78 62.413,79 8.966,80 0.398,81 1.16,82 19.961,83 6.401,84 45.766,85 8.466,86 0.409,87 1.106,88 17.604,89 6.293,90 52.416,91 8.269,92 0.518,93 1.054,94 23.771,95 6.622,96 53.902,97 9.399,98 0.619,99 0.798,100 25.785,101 7.368,102 94.956,103 9.65,104 41,105 38,106 0.322,107 0.691,108 0.789,109 0.826,110 0.826,111 0.826,112 3.19,113 1.014,114 -3.27,115 -3.26,116 -3.13,118 35.9,119 2,126 1,138 4,139 2,140 1,142 1,143 1,144 1,156 1,158 2,159 2,160 2,161 1,167 4,170 3,171 7,172 3,173 3,175 1,178 6,180 1,181 1,182 9,186 2,188 4,190 2,191 2,192 11,194 3,195 3,197 3,199 3,201 3,204 8,208 3,211 3,213 3,214 2,215 7,217 1,218 1,220 4,223 4,225 4,227 2,228 2,230 1,231 1,233 1,235 2,237 1,239 4,242 4,243 4,244 1,246 2,247 2,250 1,252 4,257 2,262 2,264 684,265 14.748,266 14.748,267 14.748,268 14.748,269 14.748,270 12.616,271 12.398,272 8.326,273 15.165,274 12.324,275 12.324,276 12.324,277 12.324,278 12.324,279 8.972,280 8.856,281 3.903,282 13.002,283 3.457,284 1.366,285 0.808,286 0.603,287 0.603,288 0.603,289 3.86,293 1,294 1,295 357,296 3.536,299 44.309,300 121.852,303 84.842,307 1.112,308 32.208,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 51,320 171,321 4.819,322 4.662,323 7.124,324 4.316,325 3.364,326 4.744,328 12.105,329 3.22,330 4.74,331 3.37,332 7.03,333 4.212,334 3.286,335 4.649,337 11.669,338 2.997,339 3.97,340 2.71,341 6.145,342 3.584,343 2.618,344 3.526,346 8.807,347 2.528,348 3.783,349 2.509,350 5.758,351 3.401,352 2.442,353 3.196,355 7.601,356 2.338,357 3.303,358 1.857,359 4.826,360 2.784,361 1.812,362 2.657,364 5.109,365 1.758,366 3.022,367 1.777,368 4.748,369 2.675,370 1.734,371 2.149,373 4.813,374 1.628,375 2.867,376 1.412,377 4.304,378 2.328,379 1.375,380 2.025,382 3.7,383 1.306,384 2.626,385 1.186,386 3.855,387 2.114,388 1.126,389 1.674,391 2.755,392 1.11,393 2.457,394 1,395 3.515,396 1.964,397 1,398 1.437,400 2.491,401 0.962,402 2.111,403 0.814,404 3.446,405 1.736,406 0.777,407 1.006,409 1.976,410 0.744,411 1.062,412 0.132,413 2.751,414 0.631,415 -0.286,416 -0.363,417 -0.667,418 -0.261,419 1,420 -0.151,421 2.589,422 0.404,423 -0.567,424 -0.777,425 -1.465,426 -0.547,427 0.862,428 -0.603,429 2.416,430 0.191,431 -0.765,432 -1,433 -2,434 -0.712,435 0.691,436 -0.812,437 2.252,438 0.064,439 -0.88,440 -1.02,441 -2.192,442 -0.827,443 0.561,444 -1,445 2,447 -1,448 -1.16,449 -2.512,450 -1,451 10.9,452 0.474,453 0.885,454 0.038,455 32.5,456 1.413,457 17.5,458 0.761,459 15,460 0.652,461 17.367,462 0.755,463 25.1,464 0.644,465 24.337,466 1.058,467 6.052,468 0.263,469 4.735,470 0.206,471 0.226,472 0.076,473 0.358,478 0.645,479 1.311,480 0.822,481 1.214,482 0.86,483 0.893,484 0.553,485 1.062,486 0.79,487 0.946,488 0.422,489 0.809,490 1.103,491 1.208,492 0.94,493 0.977,494 0.906,495 0.932,496 1.011,497 0.931,498 0.855,499 0.829,500 0.935,501 0.906,502 1.032,503 1.13,504 0.961,505 0.992,506 0.792,507 1.072,508 0.846,509 1.244,510 0.957,511 1.122,512 0.803,513 1.256,514 0.807,515 1.015,516 0.941,517 1.053,518 0.883,519 1.136,520 0.461,521 0.698,522 0.993,523 1.021,524 0.588,525 0.939,526 6,528 3.333,529 2.354,530 1.833,531 1.07,532 0.571,533 0.6,534 0.28,535 0.047,536 4628,537 15619,538 1.981,539 41,541 5,543 1,544 4,546 6,549 1.665,550 1.781,551 2.932,552 1.951,553 1,554 1,556 1,558 71.318,559 1.829,560 3.92,561 4.477,562 4.683,563 4.683,564 4.683,565 2.235,566 4.143,567 4.498,568 3.072,569 777.326,570 7.784,571 8570.56,572 1,573 1,576 206.131,577 1.762,578 4.403,579 0.24,581 0.088,582 0.06,583 0.048,584 0.032,585 0.019,586 0.026,587 0.016,588 0.005,589 0.535,590 0.33,591 1,592 1.009,593 104.497,594 0.043,595 -0.038,596 0.205,597 -0.032,598 -0.253,599 0.064,600 0.319,601 0.061,602 0.109,603 0.07,604 0.398,605 0.139,606 -0.189,607 -0.139,608 -0.069,609 -0.02,610 -0.063,611 0.006,612 -0.085,613 0.093,614 -0.024,615 0.048,616 -0.083,617 0.022,618 -0.211,619 -0.096,620 -0.142,621 -0.093,622 -0.081,623 -0.128,624 -0.024,625 -0.199,626 -0.141,627 -0.21,628 -0.029,629 -0.314,630 0.048,631 -0.082,632 0.025,633 -0.121,634 -0.097,635 -0.148,636 0.527,637 0.133,638 0.238,639 0.067,640 0.433,641 0.133,642 4.72,643 4.563,644 0.652,645 15.577,646 1.019,647 1.139,648 2.042,649 4.169,650 0.677,651 3.258,652 3.664,653 3.932,654 4.234,655 4.5,656 4.625,657 4.727,658 4.812,659 4.796,660 4.745,661 4.89,662 0.651,663 332.43,664 3.258,665 4.844,666 5.714,667 6.637,668 7.536,669 8.462,670 9.372,671 10.299,672 11.214,673 12.141,674 15.4,678 2,682 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,708 1,716 39,718 18,719 1,720 25,722 41,723 14,724 11,725 2,726 4,728 3,729 4,732 2,738 1,740 11,741 3,744 2,747 1,749 2,756 1,757 1,760 16,761 7,762 4,763 9,764 1,769 6,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,821 1,823 2,827 23,828 2,831 1,837 1,850 5.1,853 2,858 12.917,859 7.467,860 4.833,861 2.148,863 3.354,864 1.476,865 1.005,866 3.743,867 10.403,868 3.584,869 4.314,870 4.926,871 5.592,872 6.182,873 6.595,874 7.059,875 7.483,876 7.772,877 8.08,878 0.8,879 39,880 8.692,881 4.003,882 8.076,883 15.703,884 13.05,885 2.576,886 59.25,890 141.253,891 84.091,892 116.199,894 44.313,896 5.807,897 78.283,898 185.566,899 116.199,900 17.65,902 107.901,903 108.033,904 20.461,905 2.328,906 129.482,908 141.253,909 194.483,910 44.313,911 5.807,913 70.627,914 114.94,917 32.518,918 111.731,919 56.042,921 141.253,922 160.512,923 84.091,925 5.807,926 141.253,927 14.109,928 65.951,930 158.736,931 141.253,932 160.512,933 84.091,935 0.607,936 0.347,937 0.185,938 0.109,939 20,940 10,941 0.073,942 3,943 1,944 1.133,945 3.265,946 194.063,947 0.133,948 15,949 100.042,953 1,954 15.716,955 5.477,956 2.756,957 1.191,958 158.736,959 7.625,960 12.796,964 1.412,965 1.728,966 64.189,967 385.856,968 35,971 -3.803,973 23.126,980 39.76,981 44.405,983 0.346,984 0.742,985 0.847,986 0.886,987 0.886,988 0.886,989 4.852,990 1.126,991 5.784,992 3.7,993 4.344,994 5.001,996 6.706,997 4.242,998 6.148,999 1,1000 7.426,1001 2.755,1002 4.29,1003 5.231,1005 7.989,1006 4.114,1007 7.537,1008 0.777,1009 9.179,1010 2.491,1011 6.098,1012 7.441,1014 11.048,1015 5.877,1016 8.969,1017 -0.286,1018 10.995,1019 1.976,1020 6.804,1021 8.454,1023 13.088,1024 6.499,1025 10.433,1026 -0.567,1027 12.849,1028 -0.667,1029 8.197,1030 10.232,1032 15.746,1033 7.848,1034 11.922,1035 -0.765,1036 14.729,1037 -1.465,1038 9.2,1039 11.561,1041 18.059,1042 8.772,1043 13.429,1044 -0.88,1045 16.626,1046 -2,1047 10.458,1048 13.189,1050 20.593,1051 9.981,1052 3.364,1053 -1,1054 18.536,1055 -2.192,1056 11.579,1057 14.647,1059 23.008,1060 11.03,1061 3.286,1062 12.105,1063 20.455,1064 -2.512,1065 12.794,1066 16.222,1068 25.503,1069 12.192,1070 2.618,1071 11.669,1072 22.381,1073 4.744,1074 13.962,1075 17.733,1077 27.957,1078 13.296,1079 2.442,1080 8.807,1081 24.313,1082 4.649,1083 15.164,1084 19.289,1086 30.44,1087 14.444,1088 1.812,1089 7.601,1090 26.25,1091 3.526,1092 16.351,1093 20.821,1095 32.909,1096 15.572,1097 1.734,1098 5.109,1099 28.19,1100 3.196,1101 17.551,1102 22.372,1104 35.39,1105 16.718,1106 1.375,1107 4.813,1108 30.133,1109 2.657,1110 18.747,1111 23.913,1113 37.865,1114 17.859,1115 4682,1116 8756,1117 15.72,1118 26.398,1119 39.394,1120 39.594,1121 40.704,1122 39.108,1123 39.065,1124 54.128,1126 122.053,1127 37.178,1128 5.511,1129 6.662,1130 6.665,1131 5.389,1132 5.364,1133 7.744,1135 19.598,1136 5.22,1137 14.315,1138 1.576,1139 1.584,1140 1.628,1141 1.564,1142 1.563,1143 2.165,1145 4.882,1146 1.487,1147 4.153,1148 4.188,1149 4.729,1150 4.084,1151 7.726,1152 4.048,1153 3.998,1154 3.986,1155 4.101,1156 3.897,1157 6.999,1158 3.866,1159 3.613,1160 3.657,1161 3.66,1162 3.522,1163 5.255,1164 3.458,1165 3.571,1166 3.603,1167 3.445,1168 3.401,1169 4.882,1170 3.393,1171 3.184,1172 3.271,1173 3.089,1174 2.963,1175 4.821,1176 2.985,1177 2.999,1178 3.108,1179 2.877,1180 2.694,1181 4.651,1182 2.73,1183 2.874,1184 3.009,1185 2.633,1186 2.618,1187 4.465,1188 2.613,1189 2.777,1190 2.854,1191 2.512,1192 2.616,1193 4.071,1194 2.57,1195 0.193,1196 0.186,1197 0.285,1198 0.173,1199 0.135,1200 4.819,1201 0.19,1202 4.662,1204 7.124,1205 0.484,1206 4.316,1207 0.129,1208 3.364,1209 4.744,1211 12.105,1212 3.22,1213 1.981,1214 1.983,1215 2.008,1216 2.051,1217 1.191,1218 2.072,1219 1.814,1220 1.777,1221 1.946,1222 2.005,1223 1.142,1224 1.99,1225 1.634,1226 1.587,1227 1.775,1228 1.831,1229 0.871,1230 1.839,1231 1.443,1232 1.45,1233 1.417,1234 1.631,1235 0.514,1236 1.667,1237 1.121,1238 1.059,1239 1.297,1240 1.389,1241 0.469,1242 1.366,1243 0.934,1244 0.804,1245 1.257,1246 1.239,1247 0.287,1248 1.308,1249 0.88,1250 0.784,1251 1.167,1252 1.215,1253 0.046,1254 1.208,1255 0.763,1256 0.679,1257 1.025,1258 1.063,1259 0.002,1260 1.057,1261 3.932,1263 5.313,1264 2.398,1265 6.882,1266 4.844,1267 8.537,1268 7.081,1269 10.237,1271 3.935,1275 11.181,1281 0.057,1289 25.379,1290 71.318,1291 152.87,1292 174.621,1293 182.621,1294 182.621,1295 182.621,1296 45.334,1297 7.049,1298 129.78,1299 138.16,1300 17,1301 12.647,1302 4.248,1303 3.459,1304 36.503,1305 66,1306 57,1307 0.278,1308 162.28,1309 264.59,1310 387.724,1311 9146,1313 16.776,1314 0.729,1315 0.585,1316 17.026,1317 13.449,1318 10.787,1319 0.431,1320 0.338,1321 6.928,1322 9.557,1323 6.58,1324 5.507,1325 11.681,1326 8.453,1327 10.946,1328 0.288,1329 0.184,1330 12.334,1331 6.979,1332 8.338,1333 0.167,1334 0.087,1335 9.082,1336 4.354,1337 7.044,1338 0.104,1339 0.043,1340 7.564,1341 2.937,1342 5.905,1343 0.066,1344 0.023,1345 6.388,1346 2.058,1347 0.415,1348 77.056,1349 0.252,1350 21.766,1351 0.835,1352 126,1353 401.536,1354 173.977,1355 414.388,1356 563.5,1357 378,1358 151,1359 402.621,1360 205.573,1361 442.477,1362 643.71,1363 412,1364 4.745}
{0 CHEMBL1242032,1 1.829,2 8.174,3 1.254,4 1.573,5 89.905,6 8.524,7 0.64,8 3.795,9 3.913,10 3.637,11 3.335,12 4.954,13 3.31,14 4.304,15 4.462,16 3.918,17 3.705,18 5.758,19 3.682,20 4.503,21 4.683,22 3.947,23 3.823,24 5.753,25 3.79,26 4.6,27 4.809,28 3.898,29 3.825,30 5.866,31 3.781,32 4.531,33 4.753,34 3.667,35 3.749,36 5.641,37 3.675,38 4.383,39 4.591,40 3.626,41 3.671,42 5.491,43 3.575,44 4.468,45 4.727,46 3.496,47 3.582,48 5.616,49 3.431,50 4.317,51 4.612,52 3.423,53 3.31,54 5.317,55 3.141,56 0.152,57 0.674,58 9.508,59 3.395,60 23.726,61 3.878,62 0.411,63 1.008,64 15.731,65 5.769,66 72.763,67 7.048,68 0.386,69 1.174,70 19.527,71 6.561,72 42.149,73 8.058,74 0.516,75 1.223,76 22.125,77 6.969,78 59.751,79 8.971,80 0.446,81 1.106,82 19.086,83 6.153,84 55.873,85 8.401,86 0.253,87 1.011,88 15.794,89 5.886,90 28.842,91 8.13,92 0.474,93 0.958,94 21.091,95 6.404,96 59.183,97 8.954,98 0.415,99 0.726,100 22.91,101 6.355,102 44.373,103 9.182,104 41,105 38,106 0.322,107 0.691,108 0.771,109 0.789,110 0.789,111 0.789,112 3.189,113 1.014,114 -3.27,115 -3.26,116 -3.13,118 35.9,119 2,126 1,138 4,139 2,140 1,142 1,143 1,144 1,156 1,158 2,159 2,160 2,161 1,167 4,170 3,171 7,172 3,173 3,175 1,178 6,180 1,181 1,182 9,186 2,188 4,190 2,191 2,192 12,194 3,195 3,197 3,199 4,201 3,204 8,208 3,211 2,213 3,215 6,220 4,223 4,225 4,227 2,228 2,230 1,231 1,233 1,235 4,237 1,239 2,242 1,243 1,251 4,254 4,255 4,256 1,259 2,263 1,264 696,265 14.748,266 14.748,267 14.748,268 14.748,269 14.748,270 12.616,271 12.398,272 8.28,273 15.165,274 12.307,275 12.307,276 12.307,277 12.307,278 12.307,279 8.966,280 8.856,281 3.866,282 12.989,283 3.457,284 1.366,285 0.911,286 0.808,287 0.808,288 0.808,289 3.86,293 1,294 1,295 394,296 3.536,299 47.297,300 124.751,303 89.803,307 1.312,308 31.332,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 51,320 188,321 4.807,322 4.661,323 7.112,324 4.305,325 3.348,326 4.736,328 12.082,329 3.215,330 4.749,331 3.371,332 7.036,333 4.219,334 3.297,335 4.653,337 11.655,338 2.995,339 3.975,340 2.712,341 6.144,342 3.594,343 2.626,344 3.533,346 8.799,347 2.539,348 3.783,349 2.513,350 5.754,351 3.404,352 2.445,353 3.196,355 7.577,356 2.34,357 3.318,358 1.859,359 4.823,360 2.792,361 1.818,362 2.674,364 5.102,365 1.768,366 3.022,367 1.783,368 4.728,369 2.676,370 1.735,371 2.156,373 4.815,374 1.629,375 2.901,376 1.441,377 4.377,378 2.356,379 1.404,380 2.068,382 3.876,383 1.331,384 2.5,385 1.06,386 3.858,387 2,388 1.034,389 1.5,391 2.74,392 1,393 2.498,394 1,395 3.488,396 1.987,397 1,398 1.493,400 2.275,401 0.982,402 2.12,403 0.851,404 3.414,405 1.758,406 0.798,407 1.021,409 2.026,410 0.764,411 1.071,412 0.245,413 2.843,414 0.656,415 -0.27,416 -0.342,417 -0.637,418 -0.249,419 1,420 -0.163,421 2.481,422 0.516,423 -0.431,424 -0.578,425 -1.086,426 -0.404,427 0.986,428 -0.698,429 2.391,430 0.101,431 -0.83,432 -1,433 -2,434 -0.767,435 0.617,436 -0.846,437 2.249,439 -1,440 -1.126,441 -2.316,442 -1,443 0.5,444 -1,445 2,447 -1,448 -1.211,449 -3,450 -1,451 10.9,452 0.474,453 0.885,454 0.038,455 32.5,456 1.413,457 17.5,458 0.761,459 15,460 0.652,461 17.155,462 0.746,463 25.1,464 0.644,465 24.049,466 1.046,467 6.052,468 0.263,469 4.735,470 0.206,471 0.226,472 0.076,473 0.358,478 0.645,479 1.311,480 0.822,481 1.214,482 0.86,483 0.893,484 0.553,485 1.062,486 0.79,487 0.946,488 0.423,489 0.809,490 1.103,491 1.208,492 0.94,493 0.977,494 0.904,495 0.932,496 1.019,497 0.976,498 0.927,499 0.91,500 0.912,501 0.968,502 1.098,503 0.981,504 0.901,505 0.815,506 0.869,507 1.055,508 0.67,509 1.308,510 0.885,511 1.151,512 0.499,513 1.285,514 0.738,515 0.899,516 0.971,517 0.981,518 0.706,519 1.175,520 0.455,521 0.873,522 0.636,523 0.955,524 0.729,525 0.854,526 6,527 0.037,528 3.556,529 2.354,530 1.736,531 1.07,532 0.51,533 0.376,534 0.419,535 0.194,536 4868,537 16675,538 1.981,539 41,541 5,543 1,544 4,546 6,549 1.661,550 1.781,551 2.999,552 1.951,553 1,554 1,556 1,558 71.318,559 1.829,560 3.92,561 4.375,562 4.477,563 4.477,564 4.477,565 2.442,566 3.882,567 4.494,568 3.203,569 810.363,570 7.759,571 8945.7,572 1,573 1,576 206.131,577 1.762,578 4.403,579 0.24,580 0.004,581 0.094,582 0.06,583 0.047,584 0.037,585 0.02,586 0.02,587 0.026,588 0.013,589 0.56,590 0.33,591 1,592 1.009,593 105.505,594 0.043,595 -0.038,596 0.205,597 -0.032,598 -0.253,599 0.064,600 0.319,601 0.061,602 0.109,603 0.07,604 0.397,605 0.139,606 -0.189,607 -0.139,608 -0.069,609 -0.02,610 -0.061,611 0.006,612 -0.093,613 0.047,614 -0.098,615 -0.034,616 -0.061,617 -0.041,618 -0.267,619 0.005,620 -0.178,621 -0.01,622 -0.154,623 -0.12,624 -0.069,625 -0.285,626 -0.126,627 -0.253,628 -0.022,629 -0.303,630 0.035,631 0.028,632 -0.053,633 -0.073,634 -0.024,635 -0.179,636 0.39,637 -0.11,638 0.496,639 0.083,640 0.107,641 0.262,642 4.652,643 4.359,644 0.652,645 17.512,646 1.019,647 1.139,648 2.042,649 4.169,650 0.677,651 3.258,652 3.664,653 3.932,654 4.22,655 4.466,656 4.625,657 4.71,658 4.771,659 4.852,660 4.836,661 5.204,662 0.651,663 332.43,664 3.258,665 4.844,666 5.714,667 6.635,668 7.531,669 8.455,670 9.361,671 10.286,672 11.198,673 12.123,674 15.4,678 2,682 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,708 1,716 39,718 18,719 1,720 25,722 41,723 14,724 11,725 2,726 4,728 3,729 4,732 2,738 1,740 11,741 3,744 2,747 1,749 2,756 1,757 1,760 16,761 7,762 4,763 9,764 1,769 6,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,821 1,823 2,827 23,828 2,831 1,837 1,850 5.1,853 2,858 12.917,859 7.467,860 4.833,861 2.148,863 3.317,864 1.47,865 1.005,866 3.743,867 10.366,868 3.584,869 4.314,870 4.926,871 5.583,872 6.159,873 6.595,874 7.05,875 7.461,876 7.819,877 8.143,878 1,879 39,880 8.668,881 3.972,882 8.076,883 15.703,884 13.05,885 2.576,886 59.25,890 141.253,891 84.091,892 116.199,894 44.313,896 5.807,897 78.283,898 185.566,899 116.199,900 17.65,902 107.901,903 108.033,904 20.461,905 2.328,906 129.482,908 141.253,909 194.483,910 44.313,911 5.807,913 70.627,914 114.94,917 32.518,918 111.731,919 56.042,921 141.253,922 160.512,923 84.091,925 5.807,926 141.253,927 14.109,928 65.951,930 158.736,931 141.253,932 160.512,933 84.091,935 0.608,936 0.348,937 0.181,938 0.102,939 20,940 10,941 0.073,942 3,943 1,944 1.133,945 3.305,946 191.678,947 0.133,948 15,949 96.042,953 1,954 15.716,955 5.477,956 2.756,957 1.28,958 158.736,959 7.541,960 12.845,964 1.682,965 1.76,966 64.189,967 385.856,968 35,971 -3.736,973 22.717,980 39.76,981 44.405,983 0.346,984 0.742,985 0.828,986 0.847,987 0.847,988 0.847,989 4.852,990 1.034,991 5.784,992 3.876,993 4.344,994 5.001,996 6.703,997 4.242,998 6.148,999 1,1000 7.426,1001 2.74,1002 4.29,1003 5.231,1005 7.989,1006 4.114,1007 7.537,1008 0.798,1009 9.178,1010 2.275,1011 6.098,1012 7.441,1014 11.04,1015 5.877,1016 8.969,1017 -0.27,1018 10.994,1019 2.026,1020 6.804,1021 8.454,1023 13.083,1024 6.499,1025 10.433,1026 -0.431,1027 12.847,1028 -0.637,1029 8.195,1030 10.231,1032 15.735,1033 7.846,1034 11.922,1035 -0.83,1036 14.726,1037 -1.086,1038 9.197,1039 11.559,1041 18.049,1042 8.769,1043 13.428,1044 -1,1045 16.623,1046 -2,1047 10.454,1048 13.186,1050 20.58,1051 9.976,1052 3.348,1053 -1,1054 18.532,1055 -2.316,1056 11.573,1057 14.643,1059 22.994,1060 11.024,1061 3.297,1062 12.082,1063 20.451,1064 -3,1065 12.786,1066 16.218,1068 25.487,1069 12.184,1070 2.626,1071 11.655,1072 22.377,1073 4.736,1074 13.952,1075 17.727,1077 27.939,1078 13.286,1079 2.445,1080 8.799,1081 24.308,1082 4.653,1083 15.153,1084 19.283,1086 30.42,1087 14.432,1088 1.818,1089 7.577,1090 26.244,1091 3.533,1092 16.338,1093 20.814,1095 32.888,1096 15.558,1097 1.735,1098 5.102,1099 28.183,1100 3.196,1101 17.536,1102 22.364,1104 35.366,1105 16.703,1106 1.404,1107 4.815,1108 30.126,1109 2.674,1110 18.73,1111 23.904,1113 37.841,1114 17.842,1115 4906,1116 9234,1117 15.72,1118 26.398,1119 39.348,1120 39.693,1121 40.67,1122 39.06,1123 39.011,1124 54.061,1126 121.896,1127 37.129,1128 5.495,1129 6.661,1130 6.64,1131 5.377,1132 5.348,1133 7.736,1135 19.539,1136 5.215,1137 14.536,1138 1.574,1139 1.588,1140 1.627,1141 1.562,1142 1.56,1143 2.162,1145 4.876,1146 1.485,1147 4.15,1148 4.187,1149 4.728,1150 4.08,1151 7.726,1152 4.044,1153 4.003,1154 3.99,1155 4.104,1156 3.905,1157 6.999,1158 3.872,1159 3.612,1160 3.658,1161 3.659,1162 3.52,1163 5.256,1164 3.46,1165 3.57,1166 3.601,1167 3.445,1168 3.399,1169 4.883,1170 3.391,1171 3.163,1172 3.253,1173 3.071,1174 2.915,1175 4.822,1176 2.942,1177 2.99,1178 3.099,1179 2.871,1180 2.735,1181 4.648,1182 2.718,1183 2.874,1184 3.009,1185 2.687,1186 2.68,1187 4.46,1188 2.715,1189 2.854,1190 2.925,1191 2.502,1192 2.618,1193 4.065,1194 2.57,1195 0.192,1196 0.186,1197 0.284,1198 0.172,1199 0.134,1200 4.807,1201 0.189,1202 4.661,1204 7.112,1205 0.483,1206 4.305,1207 0.129,1208 3.348,1209 4.736,1211 12.082,1212 3.215,1213 1.979,1214 1.981,1215 2.008,1216 2.05,1217 1.188,1218 2.072,1219 1.816,1220 1.78,1221 1.946,1222 2.005,1223 1.142,1224 1.99,1225 1.64,1226 1.596,1227 1.774,1228 1.835,1229 0.879,1230 1.843,1231 1.442,1232 1.443,1233 1.417,1234 1.631,1235 0.517,1236 1.664,1237 1.065,1238 0.999,1239 1.306,1240 1.374,1241 0.469,1242 1.348,1243 0.934,1244 0.821,1245 1.213,1246 1.239,1247 0.218,1248 1.308,1249 0.886,1250 0.804,1251 1.181,1252 1.189,1253 0.141,1254 1.174,1255 0.837,1256 0.751,1257 1.1,1258 1.062,1259 0.03,1260 1.107,1261 3.932,1263 5.313,1264 2.398,1265 6.882,1266 4.844,1267 8.535,1268 7.081,1269 10.232,1271 3.969,1275 11.103,1281 0.087,1289 25.379,1290 71.318,1291 152.87,1292 170.621,1293 174.621,1294 174.621,1295 174.621,1296 44.308,1297 7.049,1298 129.78,1299 138.16,1300 17,1301 12.631,1302 4.248,1303 3.459,1304 36.7,1305 70,1306 66,1307 0.263,1308 162.28,1309 264.59,1310 387.724,1311 9146,1313 16.776,1314 0.729,1315 0.585,1316 17.026,1317 13.449,1318 10.787,1319 0.431,1320 0.338,1321 6.928,1322 9.557,1323 6.58,1324 5.506,1325 11.681,1326 8.453,1327 10.935,1328 0.288,1329 0.184,1330 12.322,1331 6.975,1332 8.395,1333 0.168,1334 0.088,1335 9.152,1336 4.393,1337 7.054,1338 0.105,1339 0.043,1340 7.571,1341 2.875,1342 5.659,1343 0.066,1344 0.022,1345 6.016,1346 1.933,1347 0.398,1348 77.056,1349 0.252,1350 22.015,1351 0.767,1352 126,1353 401.536,1354 173.977,1355 414.323,1356 563.48,1357 378,1358 151,1359 402.621,1360 205.573,1361 442.341,1362 643.43,1363 412,1364 4.824}
{0 CHEMBL1242033,1 1.596,2 10.452,3 3.307,4 10.938,5 118.994,6 7.492,7 0.618,8 4.131,9 4.263,10 3.701,11 3.62,12 5.277,13 3.617,14 4.656,15 4.841,16 4.122,17 4.007,18 5.809,19 3.996,20 4.886,21 5.071,22 4.163,23 4.165,24 5.98,25 4.135,26 5.021,27 5.271,28 4.211,29 4.199,30 6.115,31 4.147,32 4.932,33 5.132,34 4.092,35 4.142,36 6.101,37 4.105,38 4.867,39 5.068,40 4.101,41 4.138,42 6.015,43 4.084,44 4.928,45 5.153,46 4.012,47 4.161,48 5.971,49 4.074,50 4.965,51 5.228,52 3.944,53 4.098,54 5.963,55 3.979,56 0.078,57 0.888,58 11.437,59 4.569,60 12.384,61 6.252,62 0.41,63 1.366,64 21.823,65 7.6,66 41.359,67 10.883,68 0.443,69 1.65,70 28.109,71 8.812,72 42.568,73 12.412,74 0.489,75 1.779,76 34.427,77 10.626,78 55.499,79 16.001,80 0.561,81 1.629,82 30.475,83 8.62,84 73.807,85 12.184,86 0.424,87 1.578,88 27.713,89 9.519,90 52.612,91 13.554,92 0.363,93 1.651,94 29.949,95 10.121,96 48.639,97 14.834,98 0.504,99 1.587,100 33.1,101 11.421,102 57.183,103 16.981,104 57,105 51,106 0.26,107 0.624,108 0.727,109 0.792,110 0.792,111 0.792,112 3.472,113 0.884,114 -4.35,115 -4.28,116 -4.04,118 39.3,119 5,126 1,128 1,138 4,139 3,140 1,141 1,142 2,143 1,144 1,154 1,156 1,158 1,159 1,160 1,161 1,167 4,170 3,171 13,172 1,173 3,175 3,178 10,180 1,181 1,182 7,186 1,188 5,191 2,192 16,194 3,195 4,197 6,199 6,201 1,204 8,208 3,211 3,213 2,214 3,215 12,218 1,220 5,223 11,225 4,227 1,228 3,231 1,235 7,239 4,240 7,242 1,243 3,244 1,245 1,246 1,247 6,249 1,251 2,252 2,257 2,260 5,264 1536,265 20.102,266 20.102,267 20.102,268 20.102,269 20.102,270 17.581,271 20.48,272 11.459,273 20.605,274 16.803,275 16.803,276 16.803,277 16.803,278 16.803,279 12.864,280 24.571,281 5.427,282 17.607,283 4.212,284 1.976,285 1.346,286 0.943,287 0.943,288 0.943,289 4.161,293 1,294 1,295 689,296 4.301,299 61.142,300 228.335,303 116.893,304 128.123,307 1.663,308 30.952,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 67.5,320 324,321 4.765,322 3.767,323 7.04,324 4.307,325 3.342,326 4.74,327 2.186,328 12.091,329 3.228,330 4.515,331 3.378,332 6.544,333 4.083,334 3.141,335 4.45,336 0.366,337 10.366,338 2.991,339 4.156,340 3.202,341 6.441,342 4.018,343 3.045,344 3.344,346 10.131,347 2.918,348 3.878,349 3.033,350 6.127,351 3.543,352 2.582,353 3.213,355 8.727,356 2.478,357 3.765,358 2.681,359 5.737,360 3.38,361 2.42,362 3.18,364 7.534,365 2.318,366 3.587,367 2.451,368 5.298,369 3.196,370 2.236,371 2.903,373 6.618,374 2.13,375 3.282,376 2.098,377 4.82,378 2.817,379 1.837,380 2.47,382 5.173,383 1.784,384 3.081,385 1.822,386 4.763,387 2.685,388 1.743,389 2.37,391 4.819,392 1.637,393 3.017,394 1.581,395 4.5,396 2.525,397 1.581,398 2.142,400 4.277,401 1.489,402 2.871,403 1.384,404 4.079,405 2.343,406 1.379,407 2.048,409 3.418,410 1.327,411 2.536,412 1.091,413 3.858,414 2.018,415 1.066,416 1.551,417 2.756,418 1.011,419 2.358,420 1.019,421 3.496,422 1.89,423 0.917,424 1.291,425 2.236,426 0.889,427 2.12,428 0.846,429 3.41,430 1.752,431 0.792,432 1.019,433 2.006,434 0.758,435 1.382,436 0.769,437 3.07,438 0.989,439 0.052,440 0.064,441 0.141,442 0.048,443 1.061,444 0.312,445 2.723,446 0.634,447 -0.282,448 -0.353,449 -0.669,450 -0.257,451 14.467,452 0.467,453 1.121,454 0.036,455 41.25,456 1.331,457 20.5,458 0.661,459 20.75,460 0.669,461 28.682,462 0.925,463 33.533,464 0.599,465 33.432,466 1.078,467 7.752,468 0.25,469 6.885,470 0.222,471 0.224,472 0.035,473 0.373,478 0.828,479 1.382,480 0.784,481 1.138,482 0.807,483 0.976,484 0.617,485 1.075,486 0.621,487 0.887,488 0.425,489 0.772,490 1.495,491 1.227,492 1.106,493 1.018,494 1.002,495 1.011,496 0.781,497 0.924,498 0.741,499 0.859,500 0.781,501 0.794,502 1.809,503 1.025,504 1.288,505 0.946,506 2.137,507 1.015,508 0.966,509 1.126,510 0.986,511 1.102,512 1.027,513 1.061,514 0.887,515 1.127,516 1.089,517 1.165,518 0.991,519 1.157,520 0.472,521 0.974,522 0.84,523 1.084,524 0.535,525 1.044,526 8,527 0.207,528 3.778,529 2.979,530 2.3,531 1.285,532 0.872,533 0.824,534 0.482,535 0.384,536 11615,537 30691,538 2.02,539 44.6,541 5,543 2,544 3,546 15,549 1.741,550 1.833,551 3.361,552 0.908,554 1,558 89.356,559 1.596,560 3.832,561 4.462,562 4.865,563 4.865,564 4.865,565 2.75,566 4.607,567 4.926,568 3.563,569 1656.88,570 8.63,571 22948.5,573 1,575 1,576 325.212,577 1.705,578 4.848,579 0.235,580 0.009,581 0.074,582 0.057,583 0.043,584 0.027,585 0.018,586 0.019,587 0.012,588 0.012,589 0.508,590 0.17,591 1,592 1.379,593 158.88,594 -0.026,595 -0.138,596 0.053,597 -0.059,598 -0.139,599 0.001,600 0.34,601 0.039,602 0.301,603 0.138,604 0.296,605 0.202,606 -0.277,607 -0.133,608 -0.158,609 -0.026,610 -0.175,611 -0.072,612 0.11,613 0.08,614 0.24,615 0.11,616 0.154,617 0.185,618 -0.425,619 0.047,620 -0.305,621 0.004,622 -0.367,623 -0.105,624 0.02,625 -0.065,626 -0.05,627 -0.082,628 0.024,629 -0.082,630 -0.081,631 -0.083,632 -0.156,633 -0.156,634 -0.157,635 -0.166,636 0.275,637 -0.042,638 0.134,639 -0.07,640 0.186,641 -0.015,642 2.197,643 5.322,644 0.613,645 29.182,646 1.006,647 1.136,648 3.117,649 9.715,650 0.657,651 3.555,652 3.951,653 4.205,654 4.554,655 4.804,656 4.97,657 5.124,658 5.308,659 5.438,660 5.525,661 6.536,662 0.631,663 419.54,664 3.555,665 5.142,666 6.004,667 6.927,668 7.813,669 8.74,670 9.638,671 10.566,672 11.472,673 12.401,674 12.5,678 1,681 1,682 1,684 4,689 4,690 6,691 4,695 4,696 1,697 21,708 1,712 1,716 56,718 22,719 1,720 34,722 59,723 22,724 14,725 3,726 3,728 4,729 6,732 5,738 1,740 15,741 7,742 1,744 1,749 1,753 1,757 1,760 25,761 8,762 3,763 9,769 7,775 0.5,776 2,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 5,827 31,828 1,834 1,835 1,837 1,839 1,850 3.6,853 1,855 1,858 16.917,859 11.75,860 6.514,861 3.321,863 4.417,864 1.543,865 0.97,866 5.378,867 12.55,868 3.839,869 4.53,870 5.18,871 5.887,872 6.497,873 6.95,874 7.457,875 7.994,876 8.442,877 8.823,878 0.857,879 52,880 11.43,881 4.883,882 7.777,883 21.571,884 17.595,885 2.277,886 70.583,888 1,889 1,890 258.964,891 126.492,892 119.704,894 36.145,897 126.492,898 295.109,899 119.704,900 44.126,901 18.011,902 70.802,903 117.422,904 46.432,905 9.09,906 235.422,908 258.964,909 246.196,910 36.145,913 82.398,914 212.711,917 88.196,918 90.981,919 67.02,921 258.964,922 155.849,923 126.492,926 258.964,927 26.795,928 101.474,929 18.011,930 136.062,931 258.964,932 155.849,933 126.492,935 0.6,936 0.33,937 0.19,938 0.104,939 26,940 13,941 0.085,942 5,943 2,944 1.211,945 3.985,946 294.577,947 0.211,948 19,949 144.825,954 21.165,955 7.877,956 4.223,957 2.861,958 154.072,959 10.543,960 17.705,964 2.456,965 1.829,966 50.908,967 541.305,968 45.5,973 12.322,977 -0.53,980 56.32,981 63.644,983 0.275,984 0.66,985 0.768,986 0.838,987 0.838,988 0.838,989 5.113,990 1.743,991 6.057,992 5.173,993 4.635,994 5.218,995 2.255,996 6.948,997 4.547,998 6.38,999 1.581,1000 7.67,1001 4.819,1002 4.511,1003 5.255,1004 1.784,1005 8.115,1006 4.392,1007 7.732,1008 1.379,1009 9.386,1010 4.277,1011 6.347,1012 7.552,1013 3.49,1014 11.168,1015 6.176,1016 9.119,1017 1.066,1018 11.159,1019 3.418,1020 6.967,1021 8.384,1022 3.59,1023 13.096,1024 6.761,1025 10.536,1026 0.917,1027 12.968,1028 2.756,1029 8.367,1030 10.222,1031 4.905,1032 15.734,1033 8.117,1034 11.976,1035 0.792,1036 14.801,1037 2.236,1038 9.301,1039 11.436,1040 5.289,1041 17.966,1042 9.014,1043 13.433,1044 0.052,1045 16.652,1046 2.006,1047 10.547,1048 13.09,1049 6.387,1050 20.472,1051 10.221,1052 3.342,1053 -0.282,1054 18.515,1055 0.141,1056 11.617,1057 14.484,1058 6.93,1059 22.832,1060 11.252,1061 3.141,1062 12.091,1063 20.388,1064 -0.669,1065 12.81,1066 16.064,1067 7.902,1068 25.3,1069 12.407,1070 3.045,1071 10.366,1072 22.27,1073 4.74,1074 13.938,1075 17.54,1076 8.539,1077 27.718,1078 13.497,1079 2.582,1080 10.131,1081 24.159,1082 4.45,1083 15.115,1084 19.092,1085 9.436,1086 30.178,1087 14.637,1088 2.42,1089 8.727,1090 26.053,1091 3.344,1092 16.269,1093 20.604,1094 10.13,1095 32.624,1096 15.755,1097 2.236,1098 7.534,1099 27.953,1100 3.213,1101 17.444,1102 22.147,1103 10.981,1104 35.089,1105 16.893,1106 1.837,1107 6.618,1108 29.857,1109 3.18,1110 18.611,1111 23.674,1112 11.71,1113 37.55,1114 18.024,1115 11348,1116 18627,1117 21.789,1118 36.801,1119 53.151,1120 53.821,1121 54.363,1122 52.244,1123 52.268,1124 69.574,1125 5.105,1126 160.591,1127 50.014,1128 5.648,1129 5.767,1130 6.576,1131 5.38,1132 5.342,1133 7.74,1134 3.889,1135 19.562,1136 5.228,1137 19.546,1138 1.563,1139 1.583,1140 1.599,1141 1.537,1142 1.537,1143 2.046,1144 0.15,1145 4.723,1146 1.471,1147 4.162,1148 4.203,1149 4.142,1150 4.057,1151 7.435,1152 4.071,1153 3.999,1154 4.039,1155 3.972,1156 3.86,1157 5.258,1158 3.886,1159 3.738,1160 3.779,1161 3.631,1162 3.562,1163 4.991,1164 3.564,1165 3.578,1166 3.656,1167 3.445,1168 3.42,1169 4.85,1170 3.41,1171 3.49,1172 3.538,1173 3.41,1174 3.358,1175 4.564,1176 3.364,1177 3.286,1178 3.332,1179 3.215,1180 3.006,1181 4.526,1182 3.054,1183 3.143,1184 3.227,1185 3.036,1186 2.897,1187 4.308,1188 2.933,1189 2.995,1190 3.098,1191 2.88,1192 2.753,1193 4.084,1194 2.774,1195 0.14,1196 0.111,1197 0.207,1198 0.127,1199 0.098,1200 4.765,1201 0.139,1202 3.767,1203 0.064,1204 7.04,1205 0.356,1206 4.307,1207 0.095,1208 3.342,1209 4.74,1210 2.186,1211 12.091,1212 3.228,1213 2.048,1214 2.026,1215 2.108,1216 2.132,1217 1.249,1218 2.126,1219 1.826,1220 1.782,1221 1.949,1222 2.021,1223 1.145,1224 1.993,1225 1.697,1226 1.647,1227 1.945,1228 1.902,1229 1.118,1230 1.912,1231 1.648,1232 1.585,1233 1.806,1234 1.846,1235 0.902,1236 1.844,1237 1.46,1238 1.412,1239 1.612,1240 1.63,1241 0.65,1242 1.628,1243 1.15,1244 1.104,1245 1.417,1246 1.461,1247 0.469,1248 1.41,1249 1.049,1250 0.994,1251 1.417,1252 1.353,1253 0.469,1254 1.33,1255 0.934,1256 0.835,1257 1.417,1258 1.239,1259 0.469,1260 1.308,1261 4.234,1263 5.609,1264 2.398,1265 7.165,1266 4.844,1267 8.808,1268 7.081,1269 10.501,1271 9.511,1275 6.185,1278 2.816,1279 5.389,1281 0.095,1283 -0.599,1289 35.321,1290 89.356,1291 214.583,1292 249.854,1293 272.418,1294 272.418,1295 272.418,1296 56.423,1297 8.133,1298 120.84,1299 120.84,1300 23,1301 12.908,1302 4.524,1303 3.644,1304 49.217,1305 122,1306 116,1307 0.201,1308 218.507,1309 364.3,1310 524.917,1311 38807,1313 22.336,1314 0.721,1315 0.586,1316 22.336,1317 18.171,1318 14.637,1319 0.43,1320 0.295,1321 9.863,1322 13.979,1323 9.431,1324 7.94,1325 14.637,1326 10.017,1327 14.751,1328 0.289,1329 0.168,1330 14.751,1331 8.562,1332 10.909,1333 0.165,1334 0.071,1335 10.909,1336 4.658,1337 10.062,1338 0.107,1339 0.036,1340 10.062,1341 3.374,1342 7.961,1343 0.066,1344 0.019,1345 7.961,1346 2.255,1347 0.31,1348 92.165,1349 0.214,1350 28.586,1351 0.568,1352 170,1353 495.342,1354 190.628,1355 482.201,1356 672.18,1357 450,1358 202,1359 521.92,1360 221.443,1361 526.673,1362 772.52,1363 493,1364 4.77}
{0 CHEMBL1242034,1 1.489,2 8.083,3 1.866,4 3.481,5 95.185,6 7.79,7 0.778,8 3.844,9 3.985,10 3.456,11 3.373,12 5.026,13 3.372,14 4.329,15 4.51,16 3.849,17 3.768,18 5.442,19 3.755,20 4.538,21 4.737,22 3.942,23 3.901,24 5.655,25 3.878,26 4.646,27 4.873,28 3.907,29 3.926,30 5.77,31 3.873,32 4.596,33 4.825,34 3.725,35 3.869,36 5.604,37 3.79,38 4.499,39 4.714,40 3.681,41 3.785,42 5.597,43 3.707,44 4.568,45 4.836,46 3.513,47 3.698,48 5.573,49 3.59,50 4.423,51 4.723,52 3.342,53 3.486,54 5.416,55 3.357,56 0.071,57 0.703,58 7.869,59 3.048,60 11.674,61 4.135,62 0.155,63 1.086,64 14.192,65 5.237,66 17.798,67 7.357,68 0.187,69 1.294,70 18.153,71 5.936,72 21.397,73 8.57,74 0.351,75 1.365,76 21.52,77 6.973,78 38.968,79 10.095,80 0.232,81 1.256,82 20.515,83 6.67,84 28.167,85 9.719,86 0.184,87 1.164,88 17.962,89 6.33,90 29.069,91 9.113,92 0.299,93 1.133,94 21.7,95 6.504,96 38.142,97 9.83,98 0.304,99 0.923,100 20.175,101 6.569,102 39.003,103 9.992,104 18,105 40,106 0.258,107 0.667,108 0.787,109 0.838,110 0.838,111 0.838,112 3.23,113 0.855,114 -3.96,115 -3.91,116 -3.71,118 41.5,119 2,126 1,138 4,139 3,140 1,141 1,142 2,143 1,144 1,156 1,158 2,159 2,160 2,161 1,167 4,170 2,171 10,172 1,173 1,175 3,178 7,180 3,181 1,182 7,186 1,188 5,190 1,191 2,192 9,194 4,195 4,197 3,199 6,201 3,204 6,208 3,211 3,213 3,214 1,215 8,217 1,218 1,220 5,223 5,225 5,227 1,228 1,230 1,231 1,235 4,239 2,240 2,242 3,243 3,244 1,245 1,246 2,249 1,250 1,252 2,257 2,260 2,262 2,264 746,265 16.137,266 16.137,267 16.137,268 16.137,269 16.137,270 13.719,271 12.649,272 9.22,273 16.478,274 13.305,275 13.305,276 13.305,277 13.305,278 13.305,279 9.613,280 10,281 4.322,282 13.856,283 3.869,284 1.51,285 0.817,286 0.525,287 0.525,288 0.525,289 3.925,292 1,293 1,294 1,295 424,296 2.739,299 42.808,300 158.248,303 82.459,304 87.827,307 1.174,308 19.693,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 51.5,320 194,321 4.764,322 3.377,323 7.04,324 4.306,325 3.341,326 4.74,328 12.091,329 3.227,330 4.496,331 3.058,332 6.487,333 4.008,334 3.028,335 4.44,337 10.093,338 2.964,339 3.87,340 2.681,341 6.122,342 3.532,343 2.573,344 3.328,346 8.697,347 2.467,348 3.758,349 2.446,350 5.731,351 3.357,352 2.396,353 3.184,355 7.501,356 2.3,357 3.423,358 2.052,359 5.036,360 2.955,361 1.989,362 2.819,364 5.698,365 1.918,366 3.081,367 1.821,368 4.82,369 2.685,370 1.744,371 2.37,373 4.819,374 1.637,375 3.017,376 1.581,377 4.5,378 2.525,379 1.581,380 2.142,382 4.276,383 1.489,384 2.871,385 1.382,386 4.042,387 2.344,388 1.38,389 2.05,391 3.394,392 1.327,393 2.535,394 1.071,395 3.857,396 2.017,397 1.066,398 1.551,400 2.754,401 1.011,402 2.349,403 0.943,404 3.494,405 1.882,406 0.909,407 1.284,409 2.17,410 0.883,411 2.119,412 0.829,413 3.359,414 1.748,415 0.788,416 1.018,417 1.976,418 0.755,419 1.273,420 -0.003,421 2.72,422 0.85,423 -0.105,424 -0.138,425 -0.25,426 -0.1,427 1.058,428 -0.17,429 2.431,430 0.614,431 -0.299,432 -0.385,433 -0.696,434 -0.273,435 0.935,436 -0.516,437 2.379,438 0.433,439 -0.533,440 -0.757,441 -1.325,442 -0.513,443 0.678,444 -0.733,445 2.27,446 0.207,447 -0.762,448 -1,449 -2,450 -0.729,451 11.3,452 0.471,453 0.699,454 0.029,455 35.25,456 1.469,457 19,458 0.792,459 16.25,460 0.677,461 17.344,462 0.723,463 24.7,464 0.602,465 24.977,466 1.041,467 6.743,468 0.281,469 4.816,470 0.201,471 0.159,473 0.434,478 0.992,479 1.212,480 0.769,481 0.937,482 1.231,483 0.838,484 0.778,485 1.1,486 0.663,487 0.879,488 0.593,489 0.775,490 1.153,491 1.213,492 0.883,493 0.958,494 0.85,495 0.892,496 0.974,497 0.928,498 0.979,499 0.95,500 0.965,501 0.963,502 1.23,503 1.069,504 1.161,505 1.07,506 0.994,507 1.098,508 0.961,509 1.239,510 1.126,511 1.275,512 1.017,513 1.235,514 1.143,515 0.979,516 1.138,517 1.037,518 1.396,519 1.078,520 0.449,521 0.765,522 0.761,523 0.912,524 0.412,525 0.891,526 4.5,527 0.025,528 3.333,529 2.229,530 2.02,531 0.917,532 0.485,533 0.515,534 0.25,535 0.098,536 5754,537 14981,538 2.11,539 41.5,541 5,543 2,544 4,546 6,549 1.675,550 1.946,551 3.024,552 1.819,553 1,554 1,556 1,558 61.034,559 1.489,560 3.847,561 4.54,562 4.833,563 4.833,564 4.833,565 2.418,566 4.502,567 4.56,568 3.149,569 869.246,570 7.901,571 9773.04,572 1,573 1,575 1,576 219.66,577 1.483,578 4.504,579 0.167,580 0.008,581 0.083,582 0.052,583 0.05,584 0.028,585 0.016,586 0.021,587 0.012,588 0.008,589 0.444,590 0.33,591 1,592 0.813,593 110.828,594 -0.066,595 -0.022,596 0.037,597 0.05,598 -0.268,599 0.058,600 0.147,601 0.003,602 0.211,603 0.113,604 0.155,605 0.161,606 -0.128,607 -0.127,608 0.021,610 0.004,611 0.028,612 0.084,613 0.11,614 -0.032,615 0.001,616 0.042,617 -0.028,618 -0.267,619 -0.057,620 -0.219,621 -0.096,622 -0.153,623 -0.141,624 -0.047,625 -0.219,626 -0.206,627 -0.29,628 -0.03,629 -0.276,630 -0.108,631 -0.042,632 -0.124,633 -0.081,634 -0.275,635 -0.101,636 0.457,637 0.073,638 0.308,639 0.091,640 0.526,641 0.161,642 1.249,643 2.109,644 0.792,645 16.743,646 1.003,647 1.136,648 2.727,649 7.437,650 0.679,651 3.332,652 3.714,653 4.06,654 4.394,655 4.673,656 4.804,657 4.927,658 5.094,659 5.198,660 5.215,661 5.064,662 0.653,663 319.41,664 3.332,665 4.905,666 5.796,667 6.713,668 7.625,669 8.548,670 9.467,671 10.393,672 11.315,673 12.242,674 17.1,678 2,682 1,684 4,689 4,690 6,691 4,695 4,696 1,697 21,708 2,716 41,718 21,719 1,720 27,722 44,723 17,724 14,725 3,726 3,728 4,729 6,732 2,738 1,740 14,741 3,756 1,757 1,760 17,761 6,762 4,763 7,769 7,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 24,828 2,837 1,858 12.333,859 8,860 5.139,861 2.404,863 4.327,864 1.57,865 1.038,866 3.358,867 11.913,868 3.651,869 4.379,870 5.11,871 5.813,872 6.435,873 6.87,874 7.365,875 7.893,876 8.332,877 8.681,878 1,879 43,880 8.798,881 3.795,882 7.694,883 16.736,884 13.92,885 2.194,886 52.667,890 153.024,891 93.254,892 134.591,897 93.254,898 153.024,899 134.591,900 17.65,902 103.699,903 92.277,904 35.432,905 2.328,906 129.482,908 153.024,909 227.844,913 82.398,914 70.627,917 43.709,918 117.116,919 67.02,921 153.024,922 134.591,923 93.254,926 153.024,927 20.032,928 74.998,930 132.814,931 153.024,932 134.591,933 93.254,935 0.596,936 0.363,937 0.206,938 0.118,939 22,940 10,941 0.045,942 2,943 2,944 1.211,945 3.47,946 213.151,947 0.211,948 19,949 108.039,954 14.851,955 5.427,956 2.308,957 3.216,958 132.814,959 10.83,960 17.548,964 2.759,965 1.861,966 65.794,967 380.869,968 37.5,980 41.131,981 46.564,983 0.278,984 0.718,985 0.847,986 0.902,987 0.902,988 0.902,989 4.9,990 1.38,991 5.814,992 4.276,993 4.394,994 5.066,996 6.706,997 4.319,998 6.161,999 1.066,1000 7.425,1001 3.394,1002 4.111,1003 5.047,1005 7.763,1006 4.011,1007 7.509,1008 0.909,1009 9.137,1010 2.754,1011 6.061,1012 7.449,1014 10.919,1015 5.923,1016 8.899,1017 0.788,1018 10.909,1019 2.17,1020 6.594,1021 8.28,1023 12.812,1024 6.432,1025 10.324,1026 -0.105,1027 12.718,1028 1.976,1029 8.048,1030 10.159,1032 15.499,1033 7.852,1034 11.773,1035 -0.299,1036 14.553,1037 -0.25,1038 8.945,1039 11.382,1041 17.732,1042 8.722,1043 13.243,1044 -0.533,1045 16.407,1046 -0.696,1047 10.217,1048 13.052,1050 20.266,1051 9.961,1052 3.341,1053 -0.762,1054 18.275,1055 -1.325,1056 11.275,1057 14.454,1059 22.641,1060 10.989,1061 3.028,1062 12.091,1063 20.155,1064 -2,1065 12.482,1066 16.041,1068 25.13,1069 12.164,1070 2.573,1071 10.093,1072 22.043,1073 4.74,1074 13.611,1075 17.52,1077 27.564,1078 13.261,1079 2.396,1080 8.697,1081 23.939,1082 4.44,1083 14.799,1084 19.076,1086 30.043,1087 14.416,1088 1.989,1089 7.501,1090 25.842,1091 3.328,1092 15.959,1093 20.589,1095 32.504,1096 15.543,1097 1.744,1098 5.698,1099 27.749,1100 3.184,1101 17.144,1102 22.134,1104 34.983,1105 16.694,1106 1.581,1107 4.819,1108 29.662,1109 2.819,1110 18.32,1111 23.662,1113 37.457,1114 17.835,1115 5511,1116 9022,1117 17.918,1118 27.847,1119 42.012,1120 41.503,1121 43.791,1122 41.614,1123 41.588,1124 57.854,1126 126.937,1127 39.957,1128 5.434,1129 5.377,1130 6.585,1131 5.379,1132 5.341,1133 7.74,1135 19.56,1136 5.227,1137 12.013,1138 1.556,1139 1.537,1140 1.622,1141 1.541,1142 1.54,1143 2.143,1145 4.701,1146 1.48,1147 4.159,1148 4.201,1149 4.139,1150 4.055,1151 5.262,1152 4.068,1153 3.994,1154 4.035,1155 3.965,1156 3.859,1157 5.154,1158 3.884,1159 3.579,1160 3.656,1161 3.445,1162 3.42,1163 4.873,1164 3.41,1165 3.472,1166 3.524,1167 3.398,1168 3.35,1169 4.763,1170 3.356,1171 3.17,1172 3.259,1173 3.07,1174 2.959,1175 4.521,1176 2.981,1177 3.052,1178 3.153,1179 2.942,1180 2.823,1181 4.297,1182 2.841,1183 2.978,1184 3.084,1185 2.859,1186 2.68,1187 4.042,1188 2.717,1189 2.874,1190 3.009,1191 2.532,1192 2.618,1193 3.731,1194 2.57,1195 0.176,1196 0.125,1197 0.261,1198 0.159,1199 0.124,1200 4.764,1201 0.176,1202 3.377,1204 7.04,1205 0.448,1206 4.306,1207 0.12,1208 3.341,1209 4.74,1211 12.091,1212 3.227,1213 2.046,1214 2.024,1215 2.109,1216 2.129,1217 1.239,1218 2.125,1219 1.825,1220 1.782,1221 1.948,1222 2.02,1223 1.145,1224 1.993,1225 1.649,1226 1.585,1227 1.807,1228 1.848,1229 0.896,1230 1.845,1231 1.454,1232 1.404,1233 1.614,1234 1.614,1235 0.63,1236 1.621,1237 1.109,1238 1.045,1239 1.417,1240 1.38,1241 0.469,1242 1.358,1243 0.974,1244 0.896,1245 1.272,1246 1.292,1247 0.275,1248 1.308,1249 0.934,1250 0.804,1251 1.213,1252 1.239,1253 0.166,1254 1.281,1255 0.834,1256 0.75,1257 1.113,1258 1.171,1259 0.034,1260 1.16,1261 4.007,1263 5.371,1264 2.398,1265 6.94,1266 4.844,1267 8.606,1268 7.081,1269 10.321,1271 4.105,1275 12.193,1281 0.155,1289 26.784,1290 61.034,1291 157.743,1292 186.15,1293 198.15,1294 198.15,1295 198.15,1296 31.871,1297 7.586,1298 108.53,1299 108.53,1300 23,1301 12.747,1302 4.459,1303 3.524,1304 33.621,1305 72,1306 66,1307 0.233,1308 165.48,1309 262.86,1310 395.532,1311 18886,1313 16.845,1314 0.702,1315 0.56,1316 16.845,1317 13.432,1318 11.559,1319 0.428,1320 0.285,1321 7.588,1322 11.129,1323 7.356,1324 6.144,1325 11.559,1326 7.693,1327 10.862,1328 0.272,1329 0.149,1330 10.862,1331 5.977,1332 9.453,1333 0.166,1334 0.071,1335 9.453,1336 4.056,1337 8.303,1338 0.104,1339 0.036,1340 8.303,1341 2.872,1342 6.997,1343 0.066,1344 0.019,1345 6.997,1346 2.008,1347 0.35,1348 72.237,1349 0.236,1350 22.675,1351 0.692,1352 134,1353 356.85,1354 146.184,1355 358.395,1356 511.24,1357 336,1358 164,1359 405.603,1360 177.461,1361 412.736,1362 609.46,1363 389,1364 4.854}
{0 CHEMBL1242109,1 1.545,2 7.773,3 3.169,4 10.04,5 87.823,6 7.254,7 0.667,8 3.817,9 3.953,10 3.356,11 3.317,12 4.964,13 3.302,14 4.319,15 4.514,16 3.737,17 3.699,18 5.382,19 3.668,20 4.531,21 4.737,22 3.845,23 3.829,24 5.621,25 3.793,26 4.669,27 4.899,28 3.812,29 3.864,30 5.773,31 3.8,32 4.639,33 4.898,34 3.675,35 3.813,36 5.625,37 3.727,38 4.463,39 4.663,40 3.634,41 3.745,42 5.569,43 3.672,44 4.569,45 4.822,46 3.416,47 3.682,48 5.671,49 3.549,50 4.49,51 4.793,52 2.952,53 3.434,54 5.394,55 3.24,56 0.065,57 0.646,58 8.841,59 3.41,60 11.163,61 4.762,62 0.144,63 0.998,64 15.748,65 5.64,66 17.467,67 8.217,68 0.164,69 1.182,70 19.979,71 6.359,72 23.454,73 9.592,74 0.376,75 1.279,76 23.993,77 7.153,78 44.91,79 10.737,80 0.318,81 1.194,82 23.803,83 6.907,84 38.151,85 10.899,86 0.183,87 1.085,88 18.433,89 5.975,90 23.726,91 9.01,92 0.362,93 1.052,94 22.123,95 6.73,96 55.487,97 10.417,98 0.268,99 0.831,100 21.893,101 6.615,102 42.491,103 10.149,104 28,105 35,106 0.272,107 0.679,108 0.82,109 0.866,110 0.866,111 0.866,112 3.149,113 0.914,114 -4.63,115 -4.55,116 -4.28,118 39,119 3,120 1,126 1,138 3,139 3,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 7,172 1,173 1,175 3,178 7,180 1,181 1,182 6,186 3,188 7,191 2,192 8,194 3,195 3,197 2,199 4,201 1,204 7,206 1,208 3,211 4,213 2,215 6,218 1,220 3,223 6,225 3,228 4,231 2,232 1,233 2,234 1,235 4,237 2,240 2,245 3,247 3,249 1,257 1,260 3,264 608,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.71,271 12.584,272 8.322,273 14.932,274 11.722,275 11.722,276 11.722,277 11.722,278 11.722,279 8.795,280 9.346,281 3.816,282 12.207,283 3.813,284 1.507,285 0.708,286 0.445,287 0.445,288 0.445,289 3.821,292 1,293 1,294 1,295 359,296 2.828,299 42.576,300 113.692,303 81.322,307 1.087,308 20.624,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 47.5,320 171,321 4.761,322 3.382,323 7.044,324 4.305,325 3.341,326 4.732,328 12.109,329 3.221,330 4.217,331 3.009,332 6.209,333 3.807,334 2.832,335 3.88,337 9.083,338 2.756,339 3.836,340 2.708,341 5.947,342 3.532,343 2.573,344 3.225,346 8.175,347 2.465,348 3.679,349 2.407,350 5.667,351 3.286,352 2.322,353 3.085,355 7.27,356 2.237,357 3.089,358 1.888,359 4.927,360 2.77,361 1.824,362 2.253,364 5.132,365 1.721,366 2.992,367 1.684,368 4.469,369 2.453,370 1.509,371 2.188,373 4.128,374 1.42,375 2.82,376 1.525,377 4.047,378 2.384,379 1.414,380 1.948,382 3.513,383 1.365,384 2.542,385 1.103,386 4.023,387 2.053,388 1.095,389 1.559,391 2.94,392 1.046,393 2.26,394 0.993,395 3.595,396 1.886,397 0.936,398 1.196,400 2.287,401 0.887,402 1.372,403 0.424,404 2.736,405 1.162,406 0.172,407 0.181,409 0.257,410 0.17,411 1.228,412 0.194,413 2.576,414 1.06,415 0.098,416 0.118,417 0.198,418 0.094,419 1.039,420 -0.164,421 2.387,422 0.612,423 -0.302,424 -0.383,425 -0.695,426 -0.275,427 0.78,428 -0.376,429 2.373,430 0.355,431 -0.595,432 -0.77,433 -1.604,434 -0.56,435 0.609,436 -0.758,437 2.205,438 0.127,439 -0.82,440 -1.105,441 -2.254,442 -0.772,443 0.22,444 -0.92,445 2,446 -0.092,447 -1.059,448 -1.255,449 -2.822,450 -1.025,451 10.333,452 0.47,453 0.648,454 0.029,455 29.25,456 1.33,457 15,458 0.682,459 14.25,460 0.648,461 17.779,462 0.808,463 23.867,464 0.582,465 20.397,466 0.927,467 5.501,468 0.25,469 5.023,470 0.228,471 0.216,473 0.426,478 0.947,479 1.277,480 0.842,481 1.058,482 1.085,483 0.956,484 0.659,485 1.095,486 0.679,487 0.935,488 0.535,489 0.826,490 1.032,491 1.269,492 0.86,493 1.03,494 0.817,495 0.93,496 1.19,497 1.012,498 1.055,499 0.985,500 1.16,501 1,502 1.015,503 0.939,504 0.97,505 0.847,506 0.772,507 0.88,508 1.037,509 1.342,510 1.205,511 1.299,512 1.046,513 1.269,514 0.916,515 1.05,516 1.234,517 1.191,518 1.003,519 1.241,520 1.138,521 0.847,522 1.105,523 1.018,524 1.242,525 1.056,526 4.5,528 3.333,529 2.042,530 1.807,531 0.907,532 0.627,533 0.414,534 0.185,535 0.051,536 4133,537 10478,538 2.017,539 46.3,540 6,541 4,543 1,544 3,546 5,549 1.654,550 1.833,551 2.953,552 1.069,553 1,554 1,556 1,558 63.339,559 1.545,560 3.851,561 4.65,562 4.912,563 4.912,564 4.912,565 2.392,566 4.459,567 4.43,568 3.047,569 703.914,570 7.655,571 7464.11,572 1,573 1,575 1,576 219.66,577 1.544,578 4.36,579 0.188,581 0.095,582 0.054,583 0.052,584 0.029,585 0.022,586 0.02,587 0.015,588 0.01,589 0.484,590 0.5,591 1,592 1.094,593 98.203,594 -0.041,595 -0.038,596 0.032,597 0.024,598 -0.178,599 0.032,600 0.161,601 0.033,602 0.237,603 0.101,604 0.141,605 0.165,606 -0.043,607 -0.17,608 0.083,609 -0.035,610 0.049,611 0.032,612 -0.031,613 0.045,614 -0.076,615 -0.04,616 -0.072,617 -0.068,618 -0.081,619 0.068,620 0.007,621 0.102,622 0.017,623 0.079,624 -0.102,625 -0.221,626 -0.282,627 -0.304,628 -0.116,629 -0.313,630 0.061,631 -0.06,632 -0.263,633 -0.236,634 0.048,635 -0.283,636 -0.111,637 -0.029,638 -0.084,639 -0.065,640 -0.086,641 -0.067,642 1.431,643 3.968,644 0.682,645 15.364,646 1.001,647 1.137,648 3.396,649 11.533,650 0.654,651 3.219,652 3.584,653 3.912,654 4.205,655 4.477,656 4.615,657 4.71,658 4.787,659 4.736,660 4.615,661 4.739,662 0.622,663 297.4,664 3.219,665 4.779,666 5.659,667 6.567,668 7.474,669 8.391,670 9.308,671 10.23,672 11.151,673 12.075,674 12.2,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,716 41,718 16,719 1,720 24,722 43,723 16,724 11,725 3,726 3,728 3,729 4,732 3,738 2,740 11,741 5,756 1,757 1,760 19,761 5,762 3,763 6,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 3,827 22,828 1,832 1,833 1,837 1,850 2.4,852 1,858 12,859 8.25,860 4.861,861 2.58,863 3.124,864 1.45,865 0.958,866 3.75,867 10.069,868 3.497,869 4.186,870 4.874,871 5.543,872 6.137,873 6.548,874 6.983,875 7.424,876 7.67,877 7.911,878 1,879 38,880 8.096,881 3.427,882 7.75,883 15.402,884 12.565,885 2.25,886 49.5,889 1,890 188.338,891 81.802,892 84.908,894 42.683,897 81.802,898 231.021,899 84.908,900 26.476,901 2.535,902 61.326,903 106.404,904 22.096,905 2.328,906 176.567,908 188.338,909 166.709,910 42.683,913 129.482,914 101.539,917 43.877,918 72.598,919 50.234,921 188.338,922 127.591,923 81.802,926 188.338,927 18.279,928 65.3,930 125.815,931 188.338,932 127.591,933 81.802,935 0.592,936 0.365,937 0.193,938 0.113,939 18,940 9,941 0.07,942 3,943 1,944 1.133,945 3.229,946 181.498,947 0.133,948 15,949 98.107,954 14.793,955 5.577,956 2.452,957 1.447,958 125.815,959 6.933,960 13.112,964 2.952,965 1.875,966 75.581,967 397.73,968 32,980 41.022,981 46.607,983 0.288,984 0.719,985 0.868,986 0.917,987 0.917,988 0.917,989 4.745,990 1.095,991 5.68,992 3.513,993 4.263,994 4.871,996 6.564,997 4.185,998 5.996,999 0.936,1000 7.292,1001 2.94,1002 4.007,1003 4.856,1005 7.621,1006 3.895,1007 7.34,1008 0.172,1009 9.005,1010 2.287,1011 5.927,1012 7.208,1014 10.768,1015 5.781,1016 8.726,1017 0.098,1018 10.775,1019 0.257,1020 6.479,1021 8.032,1023 12.66,1024 6.298,1025 10.144,1026 -0.302,1027 12.582,1028 0.198,1029 7.909,1030 9.882,1032 15.353,1033 7.696,1034 11.588,1035 -0.595,1036 14.414,1037 -0.695,1038 8.815,1039 11.096,1041 17.594,1042 8.565,1043 13.051,1044 -0.82,1045 16.265,1046 -1.604,1047 10.074,1048 12.752,1050 20.141,1051 9.792,1052 3.341,1053 -1.059,1054 18.131,1055 -2.254,1056 11.137,1057 14.148,1059 22.53,1060 10.817,1061 2.832,1062 12.109,1063 20.009,1064 -2.822,1065 12.34,1066 15.73,1068 25.033,1069 11.985,1070 2.573,1071 9.083,1072 21.898,1073 4.732,1074 13.472,1075 17.209,1077 27.483,1078 13.08,1079 2.322,1080 8.175,1081 23.794,1082 3.88,1083 14.661,1084 18.766,1086 29.975,1087 14.233,1088 1.824,1089 7.27,1090 25.698,1091 3.225,1092 15.826,1093 20.283,1095 32.449,1096 15.361,1097 1.509,1098 5.132,1099 27.609,1100 3.085,1101 17.014,1102 21.832,1104 34.94,1105 16.512,1106 1.414,1107 4.128,1108 29.525,1109 2.253,1110 18.196,1111 23.367,1113 37.425,1114 17.657,1115 4172,1116 6771,1117 15.433,1118 26.813,1119 36.468,1120 36.49,1121 39.356,1122 36.312,1123 36.236,1124 48.731,1126 110.184,1127 34.767,1128 5.486,1129 5.382,1130 6.587,1131 5.378,1132 5.341,1133 7.732,1135 19.605,1136 5.221,1137 12.74,1138 1.519,1139 1.52,1140 1.64,1141 1.513,1142 1.51,1143 2.03,1145 4.591,1146 1.449,1147 4.136,1148 4.182,1149 4.118,1150 4.001,1151 6.469,1152 4.022,1153 3.864,1154 3.893,1155 3.81,1156 3.763,1157 5.254,1158 3.773,1159 3.635,1160 3.707,1161 3.497,1162 3.487,1163 4.871,1164 3.476,1165 3.293,1166 3.378,1167 3.195,1168 3.098,1169 4.616,1170 3.108,1171 3.168,1172 3.263,1173 2.98,1174 2.96,1175 4.45,1176 2.944,1177 3.034,1178 3.149,1179 2.815,1180 2.79,1181 4.119,1182 2.786,1183 2.969,1184 3.074,1185 2.806,1186 2.746,1187 3.844,1188 2.749,1189 2.93,1190 2.97,1191 2.775,1192 2.669,1193 3.712,1194 2.7,1195 0.198,1196 0.141,1197 0.293,1198 0.179,1199 0.139,1200 4.761,1201 0.197,1202 3.382,1204 7.044,1205 0.505,1206 4.305,1207 0.134,1208 3.341,1209 4.732,1211 12.109,1212 3.221,1213 1.944,1214 1.924,1215 2.03,1216 2.044,1217 1.247,1218 2.033,1219 1.815,1220 1.765,1221 1.983,1222 2.001,1223 1.161,1224 1.994,1225 1.663,1226 1.605,1227 1.805,1228 1.846,1229 0.894,1230 1.848,1231 1.301,1232 1.23,1233 1.605,1234 1.542,1235 0.703,1236 1.557,1237 1.189,1238 1.09,1239 1.533,1240 1.426,1241 0.59,1242 1.472,1243 0.992,1244 0.894,1245 1.238,1246 1.32,1247 0.249,1248 1.321,1249 0.883,1250 0.839,1251 1.143,1252 1.176,1253 0.169,1254 1.158,1255 0.813,1256 0.733,1257 1.094,1258 1.133,1259 0.099,1260 1.13,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.445,1268 7.081,1269 10.143,1271 6.035,1275 6.05,1276 9.968,1277 0.93,1281 0.199,1289 25.509,1290 63.339,1291 157.885,1292 190.64,1293 201.395,1294 201.395,1295 201.395,1296 35.45,1297 6.945,1298 89.85,1299 89.85,1300 17,1301 12.581,1302 4.087,1303 3.17,1304 34.119,1305 61,1306 64,1307 0.284,1308 159.544,1309 260.89,1310 381.047,1311 7880,1313 15.853,1314 0.721,1315 0.587,1316 15.853,1317 12.907,1318 10.524,1319 0.439,1320 0.305,1321 7.218,1322 10.137,1323 6.946,1324 5.849,1325 10.524,1326 7.312,1327 9.626,1328 0.275,1329 0.157,1330 9.626,1331 5.509,1332 8.556,1333 0.175,1334 0.082,1335 8.556,1336 4.009,1337 6.809,1338 0.103,1339 0.037,1340 6.809,1341 2.434,1342 5.709,1343 0.066,1344 0.02,1345 5.709,1346 1.706,1347 0.42,1348 65.864,1349 0.255,1350 20.956,1351 0.861,1352 118,1353 322.042,1354 129.54,1355 319.405,1356 448.47,1357 298,1358 143,1359 350.323,1360 155.79,1361 355.294,1362 523.18,1363 334,1364 5.991}
{0 CHEMBL1242110,1 1.752,2 6.571,3 2.364,4 5.589,5 78.474,6 8.209,7 0.696,8 3.694,9 3.82,10 3.326,11 3.178,12 4.956,13 3.198,14 4.172,15 4.345,16 3.726,17 3.549,18 5.396,19 3.565,20 4.393,21 4.58,22 3.856,23 3.65,24 5.777,25 3.672,26 4.481,27 4.701,28 3.819,29 3.659,30 5.8,31 3.662,32 4.387,33 4.588,34 3.678,35 3.618,36 5.624,37 3.598,38 4.344,39 4.534,40 3.659,41 3.559,42 5.744,43 3.53,44 4.435,45 4.693,46 3.299,47 3.412,48 5.741,49 3.32,50 4.221,51 4.534,52 2.473,53 2.982,54 5.325,55 2.799,56 0.131,57 0.635,58 6.202,59 2.778,60 13.852,61 3.37,62 0.238,63 0.978,64 11.571,65 4.542,66 24.847,67 5.897,68 0.459,69 1.171,70 15.59,71 5.056,72 51.643,73 6.646,74 0.573,75 1.235,76 18.635,77 5.657,78 63.68,79 7.363,80 0.456,81 1.123,82 15.695,83 4.991,84 43.694,85 6.603,86 0.443,87 1.09,88 14.477,89 5.063,90 51.692,91 6.892,92 0.593,93 0.979,94 19.718,95 5.679,96 74.472,97 7.699,98 0.584,99 0.61,100 19.668,101 5.333,102 83.255,103 7.068,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.106,113 0.844,114 -4.52,115 -4.44,116 -4.18,118 40,119 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 1,175 2,178 4,180 1,181 1,182 4,186 2,188 2,191 2,192 6,194 3,195 3,197 2,199 3,201 1,204 4,206 1,208 2,211 3,213 1,215 5,218 1,220 3,223 2,225 3,228 2,231 2,232 1,233 1,234 1,235 2,237 1,245 2,247 2,264 520,265 13.828,266 13.828,267 13.828,268 13.828,269 13.828,270 11.864,271 12.029,272 7.866,273 14.164,274 11.291,275 11.291,276 11.291,277 11.291,278 11.291,279 8.349,280 8.729,281 3.653,282 11.881,283 3.378,284 1.097,285 0.693,286 0.557,287 0.557,288 0.557,289 3.777,292 1,293 1,294 1,295 290,296 2.646,299 38.354,300 105.827,303 73.731,307 0.966,308 30.334,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47,320 138,321 4.774,322 3.444,323 7.074,324 4.322,325 3.358,326 4.741,328 12.208,329 3.236,330 4.301,331 3.196,332 6.465,333 3.87,334 2.92,335 3.982,337 9.848,338 2.767,339 3.801,340 2.653,341 5.984,342 3.463,343 2.513,344 3.204,346 8.126,347 2.384,348 3.532,349 2.301,350 5.463,351 3.114,352 2.167,353 2.903,355 6.62,356 2.044,357 3.025,358 1.866,359 4.819,360 2.682,361 1.741,362 2.197,364 4.817,365 1.634,366 2.955,367 1.804,368 4.52,369 2.435,370 1.497,371 2.118,373 4.087,374 1.402,375 2.865,376 1.52,377 3.906,378 2.382,379 1.414,380 2.026,382 3.176,383 1.354,384 2.528,385 1.153,386 3.825,387 2.016,388 1.078,389 1.54,391 2.773,392 1.007,393 2.132,394 0.903,395 3.498,396 1.788,397 0.829,398 1.041,400 2.079,401 0.791,402 1.346,403 0.62,404 2.779,405 0.986,406 0.122,407 0.143,409 0.275,410 0.103,411 1.062,412 -0.141,413 2.427,414 0.632,415 -0.287,416 -0.365,417 -0.667,418 -0.262,419 0.927,420 -0.256,421 2.359,422 0.486,423 -0.468,424 -0.625,425 -1.14,426 -0.443,427 0.606,428 -0.739,429 2.256,430 0.098,431 -0.831,432 -1,433 -2,434 -0.766,435 0.171,436 -0.881,437 2.131,439 -1,440 -1.129,441 -2.31,442 -1,444 -1,445 1.803,446 -0.203,447 -1.149,448 -1.39,449 -3.199,450 -1.054,451 9.619,452 0.458,453 0.669,454 0.032,455 29,456 1.381,457 15,458 0.714,459 14,460 0.667,461 15.279,462 0.728,463 22.781,464 0.651,465 20.933,466 0.997,467 5.692,468 0.271,469 4.311,470 0.205,471 0.21,473 0.457,477 1,478 0.778,479 1.115,480 0.718,481 0.996,482 0.79,483 0.871,484 0.655,485 1.063,486 0.599,487 0.947,488 0.576,489 0.793,490 0.914,491 1.232,492 0.786,493 0.983,494 0.735,495 0.863,496 1.079,497 0.988,498 0.935,499 0.871,500 1.077,501 0.859,502 1.021,503 1.073,504 1.121,505 1.056,506 0.943,507 1.088,508 0.743,509 1.156,510 1.051,511 1.35,512 0.794,513 1.304,514 1.167,515 1.046,516 1.319,517 1.146,518 1.221,519 1.241,520 1.618,521 0.8,522 1.348,523 0.872,524 1.795,525 1.018,526 4,528 3.111,529 2.292,530 1.727,531 0.962,532 0.581,533 0.255,534 0.061,536 3534,537 11339,538 2.018,539 40,541 4,543 1,544 3,546 6,549 1.642,550 1.826,551 2.773,552 1.156,554 1,556 1,558 61.309,559 1.752,560 4.032,561 4.436,562 4.572,563 4.572,564 4.572,565 2.124,566 4.107,567 4.367,568 2.876,569 603.892,570 7.534,571 6230.5,572 1,573 1,575 1,576 179.525,577 1.545,578 4.289,579 0.174,581 0.092,582 0.062,583 0.049,584 0.032,585 0.021,586 0.015,587 0.01,589 0.455,590 0.5,591 1,592 0.911,593 91.31,594 -0.086,595 -0.056,596 0.01,597 0.034,598 -0.146,599 0.044,600 0.05,601 -0.058,602 0.22,603 0.055,604 0.043,605 0.155,606 0.03,607 -0.19,608 0.106,609 -0.024,610 0.148,611 0.053,612 -0.027,613 0.101,614 0.024,615 0.069,616 -0.042,617 0.059,618 -0.111,619 -0.033,620 -0.229,621 -0.107,622 -0.096,623 -0.174,624 0.159,625 -0.109,626 -0.168,627 -0.373,628 0.12,629 -0.373,630 -0.074,631 -0.065,632 -0.272,633 -0.202,634 -0.059,635 -0.267,636 -0.248,637 0.136,638 -0.122,639 0.133,640 -0.263,641 0.066,642 2.406,643 6.176,644 0.714,645 12.916,646 1.022,647 1.146,648 3.287,649 10.808,650 0.664,651 3.178,652 3.555,653 3.892,654 4.205,655 4.454,656 4.585,657 4.654,658 4.673,659 4.564,660 4.489,661 4.379,662 0.653,663 287.33,664 3.178,665 4.745,666 5.631,667 6.547,668 7.459,669 8.383,670 9.304,671 10.232,672 11.156,673 12.085,674 14.3,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 35,718 16,719 1,720 23,722 37,723 14,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,758 1,760 14,761 6,762 3,763 7,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,825 1,827 21,828 1,832 1,837 1,849 1,850 2.9,852 1,858 11.5,859 6.893,860 4.556,861 2.04,863 3.177,864 1.463,865 0.968,866 3.26,867 10.039,868 3.466,869 4.171,870 4.87,871 5.549,872 6.13,873 6.535,874 6.958,875 7.363,876 7.581,877 7.858,878 1,879 37,880 7.767,881 3.422,882 8.071,883 14.232,884 11.624,885 2.571,886 54,890 129.482,891 76.377,892 84.908,894 42.683,895 14.96,897 76.377,898 172.165,899 99.868,900 17.65,902 61.326,903 106.404,904 28.031,905 17.288,906 117.711,908 129.482,909 161.285,910 57.643,913 73.816,914 113.31,917 32.518,918 78.533,919 50.234,921 144.442,922 127.591,923 76.377,926 129.482,927 21.68,928 56.474,930 140.775,931 129.482,932 142.551,933 76.377,935 0.597,936 0.366,937 0.202,938 0.115,939 18,940 9,941 0.054,942 2,943 1,944 1.133,945 3.112,946 172.689,947 0.133,948 15,949 90.239,954 13.773,955 4.971,956 2.12,957 1.019,958 140.775,959 5.711,960 12.537,964 -0.457,965 1.659,966 75.581,967 348.411,968 31,980 35.767,981 40.117,983 0.342,984 0.786,985 0.865,986 0.891,987 0.891,988 0.891,989 4.718,990 1.078,991 5.659,992 3.176,993 4.234,994 4.856,996 6.561,997 4.135,998 5.979,999 0.829,1000 7.283,1001 2.773,1002 4.007,1003 4.856,1005 7.656,1006 3.858,1007 7.328,1008 0.122,1009 9.009,1010 2.079,1011 5.911,1012 7.207,1014 10.82,1015 5.728,1016 8.72,1017 -0.287,1018 10.794,1019 0.275,1020 6.494,1021 8.05,1023 12.743,1024 6.262,1025 10.146,1026 -0.468,1027 12.616,1028 -0.667,1029 7.922,1030 9.9,1032 15.449,1033 7.662,1034 11.598,1035 -0.831,1036 14.464,1037 -1.14,1038 8.854,1039 11.129,1041 17.704,1042 8.549,1043 13.07,1044 -1,1045 16.329,1046 -2,1047 10.117,1048 12.786,1050 20.261,1051 9.782,1052 3.358,1053 -1.149,1054 18.209,1055 -2.31,1056 11.198,1057 14.19,1059 22.654,1060 10.822,1061 2.92,1062 12.208,1063 20.099,1064 -3.199,1065 12.406,1066 15.773,1068 25.164,1069 11.999,1070 2.513,1071 9.848,1072 21.999,1073 4.741,1074 13.551,1075 17.256,1077 27.615,1078 13.106,1079 2.167,1080 8.126,1081 23.905,1082 3.982,1083 14.745,1084 18.812,1086 30.111,1087 14.267,1088 1.741,1089 6.62,1090 25.818,1091 3.204,1092 15.919,1093 20.331,1095 32.588,1096 15.404,1097 1.497,1098 4.817,1099 27.735,1100 2.903,1101 17.112,1102 21.88,1104 35.083,1105 16.563,1106 1.414,1107 4.087,1108 29.657,1109 2.197,1110 18.299,1111 23.415,1113 37.571,1114 17.715,1115 3570,1116 6516,1117 14.74,1118 23.228,1119 35.566,1120 36.164,1121 37.888,1122 35.246,1123 35.281,1124 47.79,1126 108.02,1127 33.446,1128 5.447,1129 5.444,1130 6.602,1131 5.395,1132 5.358,1133 7.741,1135 19.866,1136 5.236,1137 12.051,1138 1.546,1139 1.572,1140 1.647,1141 1.532,1142 1.534,1143 2.078,1145 4.697,1146 1.454,1147 4.133,1148 4.18,1149 4.118,1150 3.992,1151 8.201,1152 4.016,1153 3.843,1154 3.871,1155 3.805,1156 3.729,1157 6.465,1158 3.744,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 5.253,1164 3.399,1165 3.206,1166 3.287,1167 3.117,1168 2.984,1169 4.867,1170 3.013,1171 3.004,1172 3.113,1173 2.884,1174 2.743,1175 4.571,1176 2.764,1177 2.954,1178 3.009,1179 2.869,1180 2.693,1181 4.43,1182 2.732,1183 2.874,1184 2.991,1185 2.692,1186 2.618,1187 4.068,1188 2.598,1189 2.789,1190 2.852,1191 2.499,1192 2.586,1193 3.699,1194 2.57,1195 0.208,1196 0.15,1197 0.308,1198 0.188,1199 0.146,1200 4.774,1201 0.206,1202 3.444,1204 7.074,1205 0.531,1206 4.322,1207 0.141,1208 3.358,1209 4.741,1211 12.208,1212 3.236,1213 1.921,1214 1.902,1215 1.985,1216 2.038,1217 1.151,1218 2.017,1219 1.793,1220 1.746,1221 1.944,1222 1.982,1223 1.096,1224 1.968,1225 1.61,1226 1.546,1227 1.772,1228 1.809,1229 0.827,1230 1.809,1231 1.147,1232 1.087,1233 1.417,1234 1.407,1235 0.469,1236 1.379,1237 0.934,1238 0.826,1239 1.272,1240 1.239,1241 0.288,1242 1.308,1243 0.879,1244 0.804,1245 1.158,1246 1.23,1247 0.051,1248 1.216,1249 0.856,1250 0.78,1251 1.056,1252 1.137,1253 0.033,1254 1.11,1255 0.761,1256 0.668,1257 0.99,1258 1.064,1260 1.052,1261 3.85,1263 5.209,1264 2.398,1265 6.774,1266 4.844,1267 8.435,1268 7.081,1269 10.146,1271 3.876,1273 14.176,1275 5.907,1276 9.547,1281 0.024,1289 22.839,1290 61.309,1291 141.119,1292 155.26,1293 160.015,1294 160.015,1295 160.015,1296 41.891,1297 6.863,1298 89.85,1299 89.85,1300 17,1301 12.589,1302 4.087,1303 3.17,1304 31.769,1305 54,1306 48,1307 0.301,1308 141.557,1309 232.36,1310 337.159,1311 7124,1312 2.9,1313 15.146,1314 0.721,1315 0.551,1316 14.276,1317 11.578,1318 10.003,1319 0.435,1320 0.281,1321 6.35,1322 9.507,1323 6.171,1324 5.15,1325 9.575,1326 6.469,1327 9.388,1328 0.276,1329 0.147,1330 8.989,1331 4.983,1332 8.113,1333 0.169,1334 0.068,1335 7.376,1336 3.241,1337 6.822,1338 0.103,1339 0.034,1340 6.511,1341 2.247,1342 5.522,1343 0.065,1344 0.018,1345 5.35,1346 1.512,1347 0.439,1348 63.603,1349 0.26,1350 19.916,1351 0.936,1352 114,1353 404.153,1354 129.371,1355 368.776,1356 501.75,1357 342,1358 139,1359 379.657,1360 155.891,1361 376.686,1362 557.48,1363 354,1364 6.247}
{0 CHEMBL1242111,1 1.706,2 7.174,3 3.04,4 9.242,5 85.72,6 8.035,7 0.615,8 3.809,9 3.932,10 3.434,11 3.324,12 4.993,13 3.333,14 4.337,15 4.503,16 3.836,17 3.745,18 5.471,19 3.734,20 4.617,21 4.837,22 3.922,23 3.813,24 5.842,25 3.791,26 4.597,27 4.832,28 3.911,29 3.757,30 5.84,31 3.756,32 4.488,33 4.682,34 3.831,35 3.761,36 5.693,37 3.748,38 4.492,39 4.68,40 3.815,41 3.757,42 5.803,43 3.724,44 4.567,45 4.798,46 3.588,47 3.673,48 5.798,49 3.594,50 4.485,51 4.771,52 3.014,53 3.386,54 5.552,55 3.237,56 0.117,57 0.705,58 7.216,59 3.292,60 14.965,61 4.037,62 0.212,63 1.138,64 13.598,65 5.774,66 23.759,67 7.467,68 0.475,69 1.352,70 21.474,71 7.034,72 63.728,73 9.791,74 0.6,75 1.367,76 22.085,77 6.33,78 64.556,79 8.566,80 0.45,81 1.275,82 17.455,83 5.498,84 42.818,85 7.287,86 0.466,87 1.284,88 17.143,89 5.978,90 57.843,91 8.093,92 0.521,93 1.219,94 21.068,95 6.956,96 74.24,97 9.231,98 0.568,99 0.953,100 22.975,101 6.75,102 84.052,103 8.915,104 10,105 38,106 0.302,107 0.694,108 0.779,109 0.837,110 0.837,111 0.837,112 3.191,113 0.88,114 -5.02,115 -4.92,116 -4.61,118 41,120 4,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 7,172 1,173 1,175 2,178 6,180 1,181 1,182 6,186 2,188 2,191 2,192 8,194 3,195 3,197 2,199 3,201 1,204 6,206 1,208 2,211 5,213 1,215 5,218 1,220 3,223 4,225 3,228 4,231 2,232 1,233 3,234 1,235 4,237 3,245 2,247 4,257 2,260 2,264 660,265 15.69,266 15.69,267 15.69,268 15.69,269 15.69,270 13.726,271 12.029,272 9.086,273 16.009,274 12.811,275 12.811,276 12.811,277 12.811,278 12.811,279 9.883,280 8.729,281 4.268,282 13.39,283 3.58,284 1.366,285 0.891,286 0.564,287 0.564,288 0.564,289 3.884,292 1,293 1,294 1,295 362,296 2.121,299 90.311,300 115.103,303 79.756,307 1.066,308 31.835,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51,320 165,321 4.778,322 3.45,323 7.083,324 4.33,325 3.367,326 4.742,328 12.257,329 3.243,330 4.305,331 3.21,332 6.488,333 3.889,334 2.936,335 3.983,337 9.978,338 2.79,339 3.866,340 2.759,341 6.099,342 3.6,343 2.637,344 3.233,346 8.651,347 2.538,348 3.532,349 2.301,350 5.476,351 3.114,352 2.168,353 2.903,355 6.653,356 2.044,357 3.238,358 2.037,359 5.076,360 2.944,361 1.99,362 2.365,364 5.688,365 1.894,366 2.966,367 1.846,368 4.521,369 2.438,370 1.502,371 2.176,373 4.099,374 1.404,375 2.865,376 1.524,377 4.236,378 2.382,379 1.414,380 2.026,382 3.529,383 1.355,384 2.638,385 1.411,386 3.871,387 2.306,388 1.343,389 1.684,391 3.176,392 1.289,393 2.453,394 1.152,395 3.666,396 1.988,397 1.059,398 1.438,400 2.597,401 0.979,402 1.858,403 0.758,404 3.25,405 1.667,406 0.69,407 0.788,409 1.756,410 0.672,411 1.618,412 0.618,413 3,414 1.618,415 0.618,416 0.618,417 1.372,418 0.618,419 1.346,420 0.601,421 2.779,422 0.986,423 0.122,424 0.143,425 0.275,426 0.103,427 1.061,428 -0.14,429 2.462,430 0.634,431 -0.285,432 -0.362,433 -0.665,434 -0.261,435 0.927,436 -0.255,437 2.359,438 0.488,439 -0.467,440 -0.623,441 -1.14,442 -0.442,443 0.613,444 -0.721,445 2.333,446 0.126,447 -0.804,448 -1.042,449 -2.218,450 -0.743,451 10.619,452 0.462,453 0.593,454 0.026,455 30.5,456 1.326,457 15,458 0.652,459 15.5,460 0.674,461 17.947,462 0.78,463 24.781,464 0.635,465 21.535,466 0.936,467 5.667,468 0.246,469 5.498,470 0.239,471 0.096,473 0.414,477 1,478 0.752,479 1.075,480 0.719,481 0.971,482 0.727,483 0.863,484 0.613,485 1.087,486 0.731,487 1.086,488 0.529,489 0.969,490 0.768,491 1.182,492 0.772,493 1.035,494 0.614,495 0.926,496 1.094,497 0.931,498 0.85,499 0.734,500 1.035,501 0.72,502 1.073,503 1.066,504 1.082,505 0.968,506 0.963,507 0.995,508 0.785,509 1.064,510 1.061,511 1.21,512 0.805,513 1.201,514 1.081,515 1.17,516 1.243,517 1.245,518 1.166,519 1.276,520 1.489,521 0.917,522 1.365,523 1.014,524 1.643,525 1.133,526 3.5,528 3.111,529 2.069,530 1.567,531 0.931,532 0.567,533 0.311,534 0.117,535 0.031,536 5004,537 14079,538 2.141,539 41,540 4,541 4,543 1,544 3,546 4,549 1.667,550 2,551 2.887,552 1.075,553 1,554 1,556 1,558 66.521,559 1.706,560 3.919,561 4.394,562 4.721,563 4.721,564 4.721,565 2.272,566 3.556,567 4.497,568 3.002,569 759.596,570 7.795,571 8309.7,572 1,573 1,574 1,575 1,576 206.131,577 1.422,578 4.454,579 0.135,581 0.082,582 0.053,583 0.04,584 0.026,585 0.017,586 0.012,587 0.01,588 0.008,589 0.382,590 0.33,591 1,592 0.58,593 103.738,594 -0.068,595 -0.013,596 0.023,597 0.062,598 -0.078,599 0.063,600 0.05,601 -0.078,602 0.077,603 -0.069,604 0.055,605 -0.011,606 0.106,607 -0.233,608 0.175,609 -0.067,610 0.199,611 0.045,612 -0.007,613 0.137,614 0.145,615 0.185,616 -0.003,617 0.199,618 -0.125,619 0.008,620 -0.191,621 -0.034,622 -0.101,623 -0.101,624 0.115,625 -0.004,626 -0.18,627 -0.242,628 0.089,629 -0.279,630 -0.037,631 -0.142,632 -0.26,633 -0.271,634 -0.049,635 -0.31,636 -0.243,637 0.046,638 -0.244,639 -0.033,640 -0.266,641 -0.109,642 2.381,643 6.353,644 0.87,645 15.622,646 1.017,647 1.142,648 3.786,649 14.337,650 0.666,651 3.296,652 3.664,653 4.025,654 4.357,655 4.585,656 4.771,657 4.934,658 5.043,659 5.05,660 4.99,661 4.702,662 0.65,663 313.37,664 3.296,665 4.86,666 5.753,667 6.666,668 7.58,669 8.504,670 9.428,671 10.357,672 11.284,673 12.216,674 12.8,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 39,718 16,719 1,720 26,722 42,723 16,724 11,725 3,726 3,728 4,729 5,735 5,738 5,740 11,741 5,756 1,757 1,758 1,760 16,761 6,762 3,763 7,769 5,775 0.75,776 1,785 1,788 1,793 2,794 2,797 1,819 3,825 1,827 23,828 1,832 1,833 4,837 1,849 1,850 2.6,852 1,858 11.5,859 6.893,860 4.972,861 2.456,863 3.114,864 1.428,865 1.004,866 3.421,867 10.388,868 3.555,869 4.23,870 4.923,871 5.598,872 6.176,873 6.607,874 7.068,875 7.498,876 7.76,877 8.039,878 0.8,879 39,880 8.557,881 3.862,882 7.935,883 16.084,884 13.814,885 2.435,886 56,890 153.024,891 68.865,892 84.908,894 42.683,895 14.96,897 68.865,898 195.708,899 99.868,901 10.138,902 61.326,903 106.404,904 28.031,905 17.288,906 141.253,908 153.024,909 153.773,910 57.643,913 120.9,914 89.768,917 25.005,918 78.533,919 50.234,921 167.984,922 127.591,923 68.865,926 153.024,927 31.818,928 38.824,930 140.775,931 153.024,932 142.551,933 68.865,935 0.59,936 0.366,937 0.207,938 0.109,939 21,940 9,941 0.048,942 2,943 1,944 1.1,945 3.402,946 202.231,947 0.1,948 20,949 100.042,954 14.401,955 5.463,956 2.252,957 1.144,958 140.775,959 5.846,960 12.911,964 -0.293,965 1.833,966 75.581,967 364.441,968 34,980 39.651,981 44.532,983 0.323,984 0.742,985 0.831,986 0.893,987 0.893,988 0.893,989 4.812,990 1.343,991 5.759,992 3.529,993 4.344,994 4.916,996 6.65,997 4.256,998 6.045,999 1.059,1000 7.367,1001 3.176,1002 4.007,1003 4.856,1005 7.711,1006 3.858,1007 7.383,1008 0.69,1009 9.081,1010 2.597,1011 6.004,1012 7.234,1014 10.892,1015 5.836,1016 8.766,1017 0.618,1018 10.858,1019 1.756,1020 6.538,1021 8.06,1023 12.808,1024 6.314,1025 10.187,1026 0.122,1027 12.675,1028 1.372,1029 7.998,1030 9.912,1032 15.515,1033 7.752,1034 11.634,1035 -0.285,1036 14.519,1037 0.275,1038 8.908,1039 11.136,1041 17.768,1042 8.613,1043 13.102,1044 -0.467,1045 16.383,1046 -0.665,1047 10.182,1048 12.792,1050 20.324,1051 9.858,1052 3.367,1053 -0.804,1054 18.261,1055 -1.14,1056 11.253,1057 14.195,1059 22.716,1060 10.885,1061 2.936,1062 12.257,1063 20.15,1064 -2.218,1065 12.464,1066 15.777,1068 25.226,1069 12.064,1070 2.637,1071 9.978,1072 22.048,1073 4.742,1074 13.605,1075 17.259,1077 27.677,1078 13.165,1079 2.168,1080 8.651,1081 23.954,1082 3.983,1083 14.8,1084 18.816,1086 30.175,1087 14.325,1088 1.99,1089 6.653,1090 25.866,1091 3.233,1092 15.971,1093 20.334,1095 32.653,1096 15.459,1097 1.502,1098 5.688,1099 27.783,1100 2.903,1101 17.165,1102 21.884,1104 35.15,1105 16.617,1106 1.414,1107 4.099,1108 29.705,1109 2.365,1110 18.352,1111 23.419,1113 37.64,1114 17.767,1115 4786,1116 8178,1117 17.512,1118 25.989,1119 39.54,1120 40.411,1121 41.225,1122 39.724,1123 39.689,1124 52.197,1126 120.063,1127 37.859,1128 5.68,1129 5.45,1130 6.678,1131 5.405,1132 5.367,1133 7.742,1135 19.945,1136 5.243,1137 9.909,1138 1.521,1139 1.554,1140 1.586,1141 1.528,1142 1.527,1143 2.008,1145 4.618,1146 1.456,1147 4.145,1148 4.193,1149 4.127,1150 4.003,1151 8.201,1152 4.027,1153 3.865,1154 3.898,1155 3.812,1156 3.765,1157 6.465,1158 3.767,1159 3.774,1160 3.825,1161 3.661,1162 3.65,1163 5.252,1164 3.649,1165 3.284,1166 3.374,1167 3.219,1168 3.016,1169 4.865,1170 3.055,1171 3.035,1172 3.122,1173 2.944,1174 2.82,1175 4.571,1176 2.839,1177 2.954,1178 2.991,1179 2.87,1180 2.743,1181 4.428,1182 2.764,1183 2.869,1184 2.979,1185 2.724,1186 2.671,1187 4.169,1188 2.635,1189 2.86,1190 2.952,1191 2.583,1192 2.601,1193 3.713,1194 2.619,1195 0.184,1196 0.133,1197 0.272,1198 0.167,1199 0.129,1200 4.778,1201 0.182,1202 3.45,1204 7.083,1205 0.471,1206 4.33,1207 0.125,1208 3.367,1209 4.742,1211 12.257,1212 3.243,1213 1.921,1214 1.902,1215 1.984,1216 2.034,1217 1.243,1218 2.013,1219 1.786,1220 1.742,1221 1.89,1222 1.972,1223 1.211,1224 1.949,1225 1.586,1226 1.529,1227 1.86,1228 1.779,1229 1.103,1230 1.793,1231 1.577,1232 1.507,1233 1.75,1234 1.751,1235 0.837,1236 1.775,1237 1.141,1238 1.085,1239 1.267,1240 1.386,1241 0.305,1242 1.363,1243 0.879,1244 0.826,1245 1.158,1246 1.23,1247 0.1,1248 1.216,1249 0.856,1250 0.782,1251 1.056,1252 1.137,1253 0.094,1254 1.109,1255 0.761,1256 0.67,1257 0.995,1258 1.06,1259 0.044,1260 1.049,1261 3.97,1263 5.323,1264 3.045,1265 6.878,1266 5.352,1267 8.531,1268 7.455,1269 10.236,1273 14.353,1275 6.005,1276 9.649,1277 4.316,1281 0.237,1289 25.366,1290 66.521,1291 152.846,1292 171.376,1293 184.131,1294 184.131,1295 184.131,1296 42.71,1297 7.274,1298 89.85,1299 89.85,1300 22,1301 12.718,1302 4.087,1303 3.17,1304 31.467,1305 64,1306 56,1307 0.248,1308 153.348,1309 254.6,1310 365.93,1311 12138,1312 2.6,1313 15.974,1314 0.695,1315 0.539,1316 15.104,1317 12.407,1318 11.165,1319 0.429,1320 0.293,1321 7.512,1322 10.678,1323 7.426,1324 6.106,1325 10.737,1326 7.631,1327 10.188,1328 0.268,1329 0.153,1330 9.789,1331 5.828,1332 9.262,1333 0.168,1334 0.08,1335 8.525,1336 4.422,1337 7.983,1338 0.104,1339 0.043,1340 7.672,1341 3.29,1342 6.151,1343 0.063,1344 0.02,1345 5.979,1346 1.902,1347 0.366,1348 70.574,1349 0.239,1350 21.71,1351 0.762,1352 128,1353 418.153,1354 143.371,1355 382.297,1356 523.91,1357 356,1358 157,1359 397.657,1360 174.224,1361 393.958,1362 586.36,1363 372,1364 5.991}
{0 CHEMBL1242112,1 1.652,2 7.364,3 2.142,4 4.589,5 84.72,6 7.676,7 0.667,8 3.789,9 3.914,10 3.373,11 3.248,12 4.993,13 3.26,14 4.277,15 4.457,16 3.747,17 3.611,18 5.409,19 3.618,20 4.444,21 4.623,22 3.857,23 3.739,24 5.647,25 3.739,26 4.571,27 4.782,28 3.827,29 3.792,30 5.724,31 3.759,32 4.55,33 4.766,34 3.661,35 3.768,36 5.604,37 3.701,38 4.473,39 4.682,40 3.624,41 3.694,42 5.593,43 3.622,44 4.539,45 4.802,46 3.395,47 3.564,48 5.607,49 3.451,50 4.365,51 4.655,52 3.081,53 3.253,54 5.394,55 3.114,56 0.104,57 0.611,58 7.888,59 3.119,60 12.244,61 4.107,62 0.264,63 0.923,64 14.66,65 4.966,66 23.352,67 6.859,68 0.359,69 1.079,70 17.254,71 5.365,72 30.481,73 7.714,74 0.427,75 1.167,76 20.664,77 6.38,78 41.231,79 9.143,80 0.397,81 1.111,82 20.339,83 6.233,84 38.002,85 9.154,86 0.29,87 1.035,88 18.2,89 6.127,90 30.401,91 9.073,92 0.517,93 0.946,94 21.954,95 6.078,96 50.255,97 9.473,98 0.435,99 0.675,100 20.056,101 5.811,102 48.816,103 8.866,104 30,105 35,106 0.294,107 0.695,108 0.809,109 0.831,110 0.831,111 0.831,112 3.148,113 0.861,114 -3.89,115 -3.84,116 -3.65,118 38.5,119 2,123 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 8,172 1,173 1,175 2,178 4,180 1,181 1,182 7,184 1,186 2,188 3,191 2,192 8,194 3,195 3,197 2,199 3,201 1,203 1,204 6,208 2,211 2,213 2,214 1,215 4,218 1,220 4,223 4,225 3,227 2,230 1,231 2,235 2,240 2,243 2,244 1,246 1,257 2,264 610,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.762,271 14.563,272 8.34,273 15.113,274 11.738,275 11.738,276 11.738,277 11.738,278 11.738,279 8.794,280 12.292,281 3.808,282 12.411,283 3.633,284 1.384,285 0.744,286 0.622,287 0.622,288 0.622,289 3.822,292 1,293 1,294 1,295 340,296 2.828,299 42.346,300 114.652,303 80.972,307 1.091,308 22.883,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 48.5,320 162,321 4.76,322 3.38,323 7.039,324 4.302,325 3.338,326 4.732,327 0.86,328 12.087,329 3.218,330 4.239,331 3.114,332 6.203,333 3.816,334 2.861,335 3.899,337 9.116,338 2.728,339 3.818,340 2.679,341 6.004,342 3.491,343 2.54,344 3.216,346 8.33,347 2.409,348 3.69,349 2.427,350 5.688,351 3.287,352 2.336,353 3.096,355 7.355,356 2.216,357 3.031,358 1.982,359 4.819,360 2.683,361 1.743,362 2.249,364 4.818,365 1.636,366 2.984,367 1.822,368 4.469,369 2.474,370 1.539,371 2.127,373 4.123,374 1.433,375 2.881,376 1.535,377 4.202,378 2.439,379 1.503,380 2.018,382 3.827,383 1.4,384 2.521,385 1.079,386 3.861,387 2.007,388 1.062,389 1.531,391 2.759,392 1.001,393 2.127,394 0.941,395 3.491,396 1.777,397 0.815,398 1.033,400 2.05,401 0.782,402 1.718,403 0.856,404 2.879,405 1.407,406 0.525,407 0.608,409 0.884,410 0.459,411 1.125,412 0.282,413 2.693,414 0.78,415 -0.132,416 -0.157,417 -0.255,418 -0.119,419 1.047,420 -0.161,421 2.425,422 0.599,423 -0.309,424 -0.396,425 -0.707,426 -0.28,427 0.648,428 -0.539,429 2.257,430 0.178,431 -0.759,432 -1,433 -2,434 -0.705,435 0.577,436 -0.745,437 2.199,438 0.103,439 -0.849,440 -1.002,441 -2.058,442 -0.798,443 0.215,444 -0.897,445 2,447 -1,448 -1.141,449 -2.325,450 -0.995,451 10.167,452 0.462,453 0.648,454 0.029,455 30.25,456 1.375,457 15.5,458 0.705,459 14.75,460 0.67,461 16.359,462 0.744,463 24.033,464 0.616,465 21.808,466 0.991,467 5.957,468 0.271,469 4.567,470 0.208,471 0.22,473 0.433,478 0.961,479 1.334,480 0.787,481 1.105,482 1.083,483 0.941,484 0.961,485 1.049,486 0.679,487 0.839,488 0.654,489 0.727,490 0.991,491 1.26,492 0.863,493 0.995,494 0.812,495 0.905,496 0.997,497 0.997,498 0.974,499 0.969,500 0.961,501 0.964,502 1.055,503 1.079,504 1.164,505 1.048,506 1.009,507 1.104,508 0.71,509 1.35,510 1.07,511 1.341,512 0.752,513 1.28,514 0.826,515 0.901,516 1.142,517 1.069,518 1.065,519 1.136,520 0.816,521 0.829,522 0.854,523 0.982,524 0.58,525 0.95,526 4.5,528 3.111,529 2.167,530 1.847,531 0.889,532 0.566,533 0.458,534 0.209,535 0.031,536 4137,537 12090,538 2.017,539 43.6,541 7,543 1,544 3,546 6,549 1.653,550 1.833,551 2.92,552 1.114,553 1,554 1,556 1,558 64.431,559 1.652,560 3.901,561 4.541,562 4.663,563 4.663,564 4.663,565 2.244,566 4.096,567 4.431,568 3.037,569 701.588,570 7.655,571 7470.94,572 1,573 1,575 1,576 206.131,577 1.544,578 4.36,579 0.188,581 0.089,582 0.057,583 0.051,584 0.03,585 0.02,586 0.023,587 0.015,588 0.005,589 0.478,590 0.67,591 1,592 1.003,593 98.25,594 -0.08,595 -0.102,596 0.034,597 -0.031,598 -0.202,599 0.014,600 -0.001,601 0.065,602 0.228,603 0.178,604 0.08,605 0.231,606 -0.004,607 -0.131,608 0.043,609 -0.007,610 0.077,611 0.028,612 -0.047,613 0.079,614 -0.039,615 -0.006,616 -0.042,617 -0.024,618 -0.18,619 -0.02,620 -0.239,621 -0.069,622 -0.158,623 -0.146,624 0.044,625 -0.291,626 -0.168,627 -0.332,628 0.014,629 -0.298,630 0.093,631 0.042,632 -0.143,633 -0.141,634 -0.105,635 -0.172,636 0.226,637 -0.067,638 0.22,639 -0.015,640 0.387,641 0.081,642 1.594,643 3.743,644 0.682,645 14.818,646 1.012,647 1.139,648 2.656,649 7.052,650 0.654,651 3.219,652 3.584,653 3.912,654 4.22,655 4.477,656 4.605,657 4.682,658 4.787,659 4.745,660 4.635,661 4.745,662 0.633,663 299.37,664 3.219,665 4.779,666 5.659,667 6.569,668 7.476,669 8.394,670 9.31,671 10.232,672 11.151,673 12.075,674 12.8,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,714 1,716 39,718 16,719 1,720 24,722 41,723 15,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 4,756 1,757 1,760 17,761 6,762 3,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,823 3,827 22,828 1,832 1,835 1,837 1,850 5.1,852 1,855 1,858 12,859 7.917,860 4.861,861 2.205,863 3.155,864 1.453,865 0.95,866 3.726,867 10.117,868 3.497,869 4.186,870 4.882,871 5.555,872 6.142,873 6.55,874 6.98,875 7.429,876 7.679,877 7.931,878 0.8,879 38,880 8.067,881 3.407,882 7.841,883 15.12,884 12.138,885 2.341,886 51.5,890 164.795,891 83.383,892 84.908,894 53.683,897 83.383,898 218.479,899 84.908,900 28.533,902 61.326,903 106.404,904 35.154,905 2.328,906 153.024,908 164.795,909 168.291,910 53.683,913 94.169,914 124.31,917 32.518,918 85.539,919 50.234,921 164.795,922 138.591,923 83.383,926 164.795,927 17.802,928 67.357,930 136.814,931 164.795,932 138.591,933 83.383,935 0.59,936 0.363,937 0.201,938 0.114,939 18,940 9,941 0.073,942 3,943 1,944 1.133,945 3.227,946 181.529,947 0.133,948 15,949 96.107,954 14.755,955 5.555,956 2.44,957 1.383,958 136.814,959 6.471,960 12.979,964 2.267,965 1.808,966 75.581,967 386.769,968 32,980 39.465,981 44.402,983 0.313,984 0.738,985 0.859,986 0.882,987 0.882,988 0.882,989 4.745,990 1.062,991 5.68,992 3.827,993 4.263,994 4.871,995 0.908,996 6.567,997 4.162,998 5.996,999 0.815,1000 7.292,1001 2.759,1002 4.007,1003 4.856,1005 7.633,1006 3.871,1007 7.34,1008 0.525,1009 9.006,1010 2.05,1011 5.927,1012 7.211,1013 0.739,1014 10.774,1015 5.745,1016 8.726,1017 -0.132,1018 10.777,1019 0.884,1020 6.479,1021 8.036,1023 12.671,1024 6.26,1025 10.146,1026 -0.309,1027 12.584,1028 -0.255,1029 7.912,1030 9.887,1031 0.593,1032 15.356,1033 7.657,1034 11.591,1035 -0.759,1036 14.417,1037 -0.707,1038 8.817,1039 11.101,1041 17.597,1042 8.525,1043 13.055,1044 -0.849,1045 16.269,1046 -2,1047 10.077,1048 12.758,1049 0.469,1050 20.138,1051 9.753,1052 3.338,1053 -1,1054 18.136,1055 -2.058,1056 11.14,1057 14.153,1059 22.524,1060 10.778,1061 2.861,1062 12.087,1063 20.014,1064 -2.325,1065 12.342,1066 15.735,1067 0.366,1068 25.022,1069 11.948,1070 2.54,1071 9.116,1072 21.902,1073 4.732,1074 13.474,1075 17.214,1077 27.469,1078 13.044,1079 2.336,1080 8.33,1081 23.798,1082 3.899,1083 14.662,1084 18.77,1085 0.283,1086 29.958,1087 14.198,1088 1.743,1089 7.355,1090 25.701,1091 3.216,1092 15.826,1093 20.287,1095 32.429,1096 15.327,1097 1.539,1098 4.818,1099 27.611,1100 3.096,1101 17.013,1102 21.835,1103 0.217,1104 34.917,1105 16.48,1106 1.503,1107 4.123,1108 29.525,1109 2.249,1110 18.194,1111 23.37,1113 37.4,1114 17.625,1115 4176,1116 7252,1117 15.433,1118 25.506,1119 36.872,1120 37.096,1121 39.052,1122 36.531,1123 36.523,1124 49.016,1125 1.72,1126 110.7,1127 34.561,1128 5.44,1129 5.38,1130 6.567,1131 5.375,1132 5.338,1133 7.732,1134 1.72,1135 19.553,1136 5.218,1137 12.753,1138 1.536,1139 1.546,1140 1.627,1141 1.522,1142 1.522,1143 2.042,1144 0.072,1145 4.612,1146 1.44,1147 4.133,1148 4.179,1149 4.116,1150 3.993,1151 6.47,1152 4.016,1153 3.849,1154 3.869,1155 3.805,1156 3.731,1157 5.255,1158 3.747,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 4.881,1164 3.399,1165 3.277,1166 3.341,1167 3.164,1168 3.021,1169 4.741,1170 3.051,1171 3.175,1172 3.257,1173 3.017,1174 2.923,1175 4.512,1176 2.934,1177 3.006,1178 3.111,1179 2.885,1180 2.696,1181 4.304,1182 2.735,1183 2.874,1184 3.009,1185 2.719,1186 2.638,1187 4.045,1188 2.633,1189 2.834,1190 2.887,1191 2.564,1192 2.618,1193 3.686,1194 2.575,1195 0.198,1196 0.141,1197 0.293,1198 0.179,1199 0.139,1200 4.76,1201 0.197,1202 3.38,1203 0.036,1204 7.039,1205 0.504,1206 4.302,1207 0.134,1208 3.338,1209 4.732,1210 0.86,1211 12.087,1212 3.218,1213 1.924,1214 1.907,1215 1.991,1216 2.039,1217 1.153,1218 2.019,1219 1.794,1220 1.748,1221 1.944,1222 1.986,1223 1.108,1224 1.971,1225 1.61,1226 1.547,1227 1.77,1228 1.814,1229 0.829,1230 1.811,1231 1.215,1232 1.153,1233 1.571,1234 1.521,1235 0.574,1236 1.536,1237 1.115,1238 1.048,1239 1.417,1240 1.396,1241 0.469,1242 1.369,1243 0.934,1244 0.804,1245 1.256,1246 1.239,1247 0.255,1248 1.308,1249 0.879,1250 0.789,1251 1.155,1252 1.233,1253 0.141,1254 1.214,1255 0.79,1256 0.722,1257 1.06,1258 1.08,1259 0.034,1260 1.062,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.447,1268 7.081,1269 10.147,1271 5.541,1275 6.023,1276 9.743,1279 5.157,1281 0.129,1289 24.697,1290 64.431,1291 152.157,1292 177.111,1293 181.866,1294 181.866,1295 181.866,1296 34.685,1297 6.961,1298 99.08,1299 99.08,1300 17,1301 12.582,1302 4.087,1303 3.17,1304 34.146,1305 61,1306 62,1307 0.282,1308 153.948,1309 252.38,1310 367.392,1311 8101,1313 15.853,1314 0.721,1315 0.573,1316 15.853,1317 12.608,1318 10.524,1319 0.439,1320 0.287,1321 6.751,1322 9.98,1323 6.505,1324 5.467,1325 10.524,1326 6.886,1327 9.676,1328 0.276,1329 0.149,1330 9.676,1331 5.231,1332 8.326,1333 0.17,1334 0.071,1335 8.326,1336 3.46,1337 7.05,1338 0.105,1339 0.036,1340 7.05,1341 2.382,1342 5.768,1343 0.066,1344 0.019,1345 5.768,1346 1.623,1347 0.419,1348 66.98,1349 0.255,1350 20.946,1351 0.853,1352 118,1353 365.778,1354 132.418,1355 353.071,1356 490.11,1357 330,1358 143,1359 375.869,1360 158.724,1361 379.696,1362 557.83,1363 355,1364 5.863}
{0 CHEMBL1242113,1 1.683,2 7.905,3 1.765,4 3.115,5 80.302,6 7.926,7 0.696,8 3.722,9 3.844,10 3.332,11 3.177,12 4.949,13 3.2,14 4.195,15 4.369,16 3.69,17 3.532,18 5.36,19 3.549,20 4.332,21 4.503,22 3.796,23 3.639,24 5.565,25 3.653,26 4.412,27 4.591,28 3.748,29 3.678,30 5.637,31 3.661,32 4.449,33 4.665,34 3.541,35 3.639,36 5.557,37 3.572,38 4.364,39 4.601,40 3.444,41 3.502,42 5.465,43 3.431,44 4.282,45 4.536,46 3.232,47 3.304,48 5.448,49 3.209,50 4.081,51 4.354,52 2.862,53 2.966,54 5.167,55 2.86,56 0.116,57 0.573,58 6.913,59 2.795,60 11.931,61 3.552,62 0.283,63 0.855,64 12.979,65 4.416,66 21.697,67 5.889,68 0.359,69 0.97,70 14.799,71 4.767,72 29.706,73 6.581,74 0.383,75 1.034,76 15.998,77 5.354,78 32.799,79 7.157,80 0.392,81 0.988,82 18.008,83 5.603,84 40.556,85 8.053,86 0.357,87 0.874,88 17.116,89 5.175,90 32.532,91 7.789,92 0.428,93 0.717,94 16.805,95 4.901,96 48.031,97 7.431,98 0.431,99 0.501,100 15.134,101 4.101,102 43.916,103 6.06,104 21,105 33,106 0.305,107 0.721,108 0.844,109 0.868,110 0.868,111 0.868,112 3.105,113 0.847,114 -3.63,115 -3.6,116 -3.43,118 38.9,119 1,123 1,124 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 1,175 2,178 3,180 1,181 1,182 6,184 1,186 2,188 3,191 2,192 7,194 3,195 3,197 2,199 2,201 1,204 5,206 1,208 3,211 1,213 2,214 1,215 4,218 1,220 2,223 2,225 2,227 1,231 2,232 1,234 1,235 1,239 2,242 1,243 1,245 1,252 1,264 538,265 14.309,266 14.309,267 14.309,268 14.309,269 14.309,270 12.401,271 12.981,272 8.174,273 14.797,274 11.192,275 11.192,276 11.192,277 11.192,278 11.192,279 8.211,280 9.792,281 3.65,282 11.859,283 3.487,284 1.188,285 0.507,286 0.375,287 0.375,288 0.375,289 3.781,292 1,293 1,294 1,295 352,296 2.449,299 40.531,300 109.414,303 77.407,307 1.166,308 22.455,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 46.5,320 166,321 4.745,322 3.347,323 7.001,324 4.279,325 3.313,326 4.723,327 0.86,328 11.951,329 3.201,330 4.233,331 3.104,332 6.13,333 3.801,334 2.847,335 3.895,337 8.925,338 2.712,339 3.728,340 2.5,341 5.87,342 3.337,343 2.387,344 3.145,346 7.956,347 2.258,348 3.674,349 2.42,350 5.574,351 3.244,352 2.305,353 3.093,355 7.055,356 2.16,357 3.01,358 1.933,359 4.506,360 2.473,361 1.546,362 2.251,364 4.273,365 1.429,366 2.847,367 1.562,368 4.462,369 2.41,370 1.468,371 1.978,373 3.975,374 1.377,375 2.777,376 1.511,377 4.147,378 2.359,379 1.414,380 1.876,382 3.646,383 1.331,384 2.485,385 1.144,386 3.67,387 1.982,388 1.052,389 1.479,391 2.556,392 0.975,393 1.771,394 0.927,395 2.953,396 1.468,397 0.581,398 0.672,400 1.004,401 0.51,402 1.513,403 0.394,404 2.771,405 1.312,406 0.341,407 0.388,409 0.516,410 0.33,411 1.046,412 0.199,413 2.597,414 0.648,415 -0.26,416 -0.31,417 -0.475,418 -0.232,419 0.966,420 -0.17,421 2.394,422 0.585,423 -0.32,424 -0.4,425 -0.693,426 -0.288,427 0.772,428 -0.44,429 2.259,430 0.342,431 -0.611,432 -0.801,433 -1.675,434 -0.578,435 0.567,436 -0.781,437 2.133,438 0.085,439 -0.853,440 -1.127,441 -2.089,442 -0.796,443 0.182,444 -0.961,445 1.901,446 -0.169,447 -1.126,448 -1.405,449 -3.151,450 -1.069,451 9.667,452 0.46,453 0.521,454 0.025,455 29.75,456 1.417,457 15.5,458 0.738,459 14.25,460 0.679,461 13.983,462 0.666,463 22.733,464 0.631,465 20.975,466 0.999,467 5.977,468 0.285,469 4.174,470 0.199,471 0.179,473 0.403,478 0.973,479 1.323,480 0.762,481 1.079,482 1.073,483 0.906,484 1.007,485 1,486 0.702,487 0.806,488 0.687,489 0.709,490 0.968,491 1.222,492 0.789,493 0.943,494 0.842,495 0.835,496 1.054,497 1.096,498 1.082,499 1.116,500 1.004,501 1.108,502 1.027,503 1.142,504 1.188,505 1.13,506 1.155,507 1.176,508 0.767,509 1.106,510 1.023,511 1.124,512 0.934,513 1.113,514 0.721,515 0.95,516 1.018,517 1.121,518 0.885,519 1.127,520 1.098,521 0.694,522 1.007,523 0.896,524 1.369,525 0.943,526 4,527 0.012,528 2.889,529 2.042,530 1.642,531 0.695,532 0.485,533 0.339,534 0.158,535 0.046,536 3774,537 11429,538 2.045,539 41.7,541 8,543 1,544 3,546 3,549 1.638,550 1.881,551 2.967,552 1.156,553 1,554 1,556 1,558 60.601,559 1.683,560 3.982,561 4.663,562 4.795,563 4.795,564 4.795,565 2.453,566 3.975,567 4.362,568 3.074,569 645.599,570 7.505,571 6589.71,572 1,573 1,575 1,576 186.117,577 1.51,578 4.305,579 0.174,580 0.006,581 0.088,582 0.057,583 0.05,584 0.027,585 0.021,586 0.02,587 0.014,588 0.008,589 0.464,590 0.67,591 1,592 0.988,593 92.519,594 -0.099,595 -0.107,596 0.029,597 -0.03,598 -0.204,599 0.017,600 -0.043,601 0.109,602 0.188,603 0.194,604 0.041,605 0.229,606 0.009,607 -0.114,608 0.1,609 0.044,610 0.073,611 0.09,612 -0.093,613 0.021,614 -0.197,615 -0.15,616 -0.068,617 -0.198,618 -0.163,619 -0.12,620 -0.26,621 -0.154,622 -0.145,623 -0.215,624 0.035,625 -0.121,626 -0.067,627 -0.158,628 -0.038,629 -0.131,630 0.222,631 -0.052,633 -0.166,634 0.175,635 -0.131,636 0.136,637 0.074,638 0.107,639 0.053,640 0.014,641 0.07,642 1.621,643 3.936,644 0.714,645 14.363,646 1.016,647 1.139,648 2.399,649 5.757,650 0.66,651 3.178,652 3.526,653 3.871,654 4.174,655 4.407,656 4.511,657 4.595,658 4.682,659 4.663,660 4.543,661 4.735,662 0.644,663 285.34,664 3.178,665 4.727,666 5.609,667 6.515,668 7.419,669 8.333,670 9.244,671 10.161,672 11.077,673 11.996,674 13.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,714 1,716 36,718 16,719 1,720 23,722 38,723 14,724 11,725 3,726 3,728 3,729 4,732 1,740 11,741 3,756 1,757 1,760 15,761 6,762 3,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,823 2,827 21,828 1,832 1,833 1,835 1,850 5.6,852 1,855 1,858 11.167,859 7.083,860 4.75,861 2.072,863 3.162,864 1.46,865 0.965,866 3.492,867 10.037,868 3.466,869 4.155,870 4.859,871 5.528,872 6.103,873 6.493,874 6.927,875 7.368,876 7.629,877 7.871,878 1,879 36,880 7.693,881 3.248,882 7.865,883 14.363,884 11.455,885 2.365,886 49.667,890 141.253,891 76.663,892 84.908,894 53.683,897 76.663,898 194.936,899 84.908,900 19.708,901 2.106,902 61.326,903 106.404,904 35.154,905 2.328,906 129.482,908 141.253,909 161.571,910 53.683,913 105.94,914 88.997,917 25.798,918 85.539,919 50.234,921 141.253,922 138.591,923 76.663,926 141.253,927 19.908,928 58.532,930 136.814,931 141.253,932 138.591,933 76.663,935 0.581,936 0.369,937 0.208,938 0.112,939 17,940 8,941 0.079,942 3,943 1,944 1.133,945 3.192,946 168.664,947 0.133,948 15,949 92.239,954 13.798,955 5.314,956 2.224,957 1.36,958 136.814,959 6.502,960 12.778,964 2.187,965 1.754,966 75.581,967 356.508,968 31,980 36.582,981 40.986,983 0.326,984 0.77,985 0.902,986 0.927,987 0.927,988 0.927,989 4.7,990 1.052,991 5.617,992 3.646,993 4.205,994 4.84,995 0.908,996 6.497,997 4.101,998 5.948,999 0.581,1000 7.222,1001 2.556,1002 3.892,1003 4.808,1005 7.548,1006 3.751,1007 7.292,1008 0.341,1009 8.928,1010 1.004,1011 5.861,1012 7.19,1013 0.739,1014 10.688,1015 5.678,1016 8.679,1017 -0.26,1018 10.694,1019 0.516,1020 6.382,1021 8.009,1023 12.578,1024 6.164,1025 10.099,1026 -0.32,1027 12.496,1028 -0.475,1029 7.835,1030 9.869,1031 0.593,1032 15.256,1033 7.584,1034 11.545,1035 -0.611,1036 14.325,1037 -0.693,1038 8.726,1039 11.08,1041 17.491,1042 8.44,1043 13.01,1044 -0.853,1045 16.173,1046 -1.675,1047 9.992,1048 12.739,1049 0.469,1050 20.025,1051 9.677,1052 3.313,1053 -1.126,1054 18.036,1055 -2.089,1056 11.047,1057 14.133,1059 22.405,1060 10.697,1061 2.847,1062 11.951,1063 19.911,1064 -3.151,1065 12.249,1066 15.715,1067 0.366,1068 24.895,1069 11.87,1070 2.387,1071 8.925,1072 21.796,1073 4.723,1074 13.376,1075 17.192,1077 27.334,1078 12.963,1079 2.305,1080 7.956,1081 23.689,1082 3.895,1083 14.56,1084 18.747,1085 0.283,1086 29.813,1087 14.117,1088 1.546,1089 7.055,1090 25.589,1091 3.145,1092 15.719,1093 20.262,1095 32.276,1096 15.243,1097 1.468,1098 4.273,1099 27.496,1100 3.093,1101 16.901,1102 21.809,1103 0.217,1104 34.754,1105 16.394,1106 1.414,1107 3.975,1108 29.408,1109 2.251,1110 18.075,1111 23.341,1113 37.226,1114 17.535,1115 3789,1116 6698,1117 15.027,1118 23.745,1119 34.612,1120 34.85,1121 36.975,1122 34.547,1123 34.508,1124 47.001,1125 1.72,1126 103.713,1127 32.567,1128 5.419,1129 5.347,1130 6.542,1131 5.351,1132 5.313,1133 7.723,1134 1.72,1135 19.315,1136 5.201,1137 11.115,1138 1.505,1139 1.515,1140 1.608,1141 1.502,1142 1.5,1143 2.044,1144 0.075,1145 4.509,1146 1.416,1147 4.127,1148 4.173,1149 4.11,1150 3.988,1151 6.47,1152 4.011,1153 3.846,1154 3.867,1155 3.803,1156 3.726,1157 5.255,1158 3.743,1159 3.49,1160 3.579,1161 3.367,1162 3.276,1163 4.878,1164 3.275,1165 3.281,1166 3.341,1167 3.149,1168 3.035,1169 4.749,1170 3.06,1171 3.117,1172 3.212,1173 2.933,1174 2.854,1175 4.515,1176 2.861,1177 2.993,1178 3.102,1179 2.855,1180 2.746,1181 4.278,1182 2.749,1183 2.93,1184 2.97,1185 2.803,1186 2.679,1187 3.921,1188 2.713,1189 2.707,1190 2.783,1191 2.541,1192 2.525,1193 3.683,1194 2.523,1195 0.206,1196 0.146,1197 0.304,1198 0.186,1199 0.144,1200 4.745,1201 0.205,1202 3.347,1203 0.037,1204 7.001,1205 0.52,1206 4.279,1207 0.139,1208 3.313,1209 4.723,1210 0.86,1211 11.951,1212 3.201,1213 1.924,1214 1.907,1215 1.99,1216 2.034,1217 1.124,1218 2.016,1219 1.777,1220 1.734,1221 1.892,1222 1.974,1223 1.048,1224 1.951,1225 1.533,1226 1.458,1227 1.749,1228 1.773,1229 0.814,1230 1.769,1231 1.22,1232 1.157,1233 1.568,1234 1.518,1235 0.573,1236 1.534,1237 1.065,1238 0.982,1239 1.263,1240 1.361,1241 0.289,1242 1.35,1243 0.883,1244 0.839,1245 1.149,1246 1.21,1247 0.166,1248 1.192,1249 0.86,1250 0.767,1251 1.113,1252 1.135,1253 0.107,1254 1.13,1255 0.77,1256 0.664,1257 1.072,1258 1.067,1260 1.076,1261 3.85,1263 5.187,1264 2.398,1265 6.739,1266 4.844,1267 8.388,1268 7.066,1269 10.087,1271 3.474,1275 5.965,1276 9.936,1277 0.662,1279 5.048,1289 23.171,1290 60.601,1291 143.362,1292 167.853,1293 172.608,1294 172.608,1295 172.608,1296 31.002,1297 6.875,1298 99.08,1299 99.08,1300 17,1301 12.506,1302 4.087,1303 3.17,1304 31.971,1305 58,1306 68,1307 0.278,1308 144.355,1309 235.08,1310 343.987,1311 7354,1313 14.983,1314 0.713,1315 0.559,1316 14.983,1317 11.738,1318 10.151,1319 0.441,1320 0.282,1321 6.359,1322 9.601,1323 6.186,1324 5.166,1325 10.151,1326 6.497,1327 8.936,1328 0.271,1329 0.137,1330 8.936,1331 4.509,1332 8.065,1333 0.172,1334 0.07,1335 8.065,1336 3.31,1337 6.925,1338 0.108,1339 0.036,1340 6.925,1341 2.29,1342 5.458,1343 0.067,1344 0.019,1345 5.458,1346 1.5,1347 0.416,1348 64.781,1349 0.258,1350 20.217,1351 0.83,1352 112,1353 359.778,1354 126.085,1355 346.102,1356 480.01,1357 324,1358 136,1359 366.517,1360 151.391,1361 369.283,1362 543.11,1363 346,1364 5.599}
{0 CHEMBL1242114,1 1.652,2 8,3 2.142,4 4.589,5 84.72,6 7.676,7 0.667,8 3.789,9 3.914,10 3.373,11 3.248,12 4.993,13 3.26,14 4.277,15 4.457,16 3.747,17 3.611,18 5.409,19 3.618,20 4.444,21 4.623,22 3.857,23 3.739,24 5.644,25 3.739,26 4.571,27 4.782,28 3.827,29 3.792,30 5.733,31 3.759,32 4.55,33 4.766,34 3.639,35 3.759,36 5.64,37 3.688,38 4.47,39 4.694,40 3.586,41 3.66,42 5.573,43 3.586,44 4.473,45 4.726,46 3.353,47 3.513,48 5.615,49 3.401,50 4.327,51 4.623,52 3.011,53 3.202,54 5.329,55 3.061,56 0.104,57 0.611,58 7.888,59 3.119,60 12.244,61 4.107,62 0.264,63 0.923,64 14.66,65 4.966,66 23.352,67 6.859,68 0.359,69 1.079,70 17.254,71 5.365,72 30.096,73 7.714,74 0.427,75 1.167,76 20.664,77 6.38,78 39.87,79 9.143,80 0.394,81 1.106,82 20.301,83 6.227,84 43.089,85 9.154,86 0.315,87 1.006,88 18.734,89 6.046,90 30.315,91 9.078,92 0.471,93 0.89,94 20.222,95 5.805,96 57.076,97 8.926,98 0.449,99 0.635,100 19.59,101 5.549,102 47.924,103 8.458,104 30,105 35,106 0.294,107 0.695,108 0.809,109 0.831,110 0.831,111 0.831,112 3.148,113 0.861,114 -3.89,115 -3.84,116 -3.65,118 38.5,119 2,123 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 8,172 1,173 1,175 2,178 4,180 1,181 1,182 7,184 1,186 2,188 3,191 2,192 8,194 3,195 3,197 2,199 3,201 1,204 5,206 1,208 3,211 2,213 2,214 1,215 5,218 1,220 3,223 4,225 3,227 1,231 2,232 1,234 1,235 2,239 2,242 1,243 1,245 2,252 2,264 614,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.762,271 14.563,272 8.336,273 15.113,274 11.738,275 11.738,276 11.738,277 11.738,278 11.738,279 8.794,280 12.292,281 3.803,282 12.411,283 3.633,284 1.384,285 0.744,286 0.622,287 0.622,288 0.622,289 3.822,292 1,293 1,294 1,295 371,296 2.828,299 43.076,300 115.366,303 82.187,307 1.182,308 23.053,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 48.5,320 176,321 4.76,322 3.379,323 7.039,324 4.302,325 3.338,326 4.732,327 0.86,328 12.087,329 3.218,330 4.238,331 3.112,332 6.197,333 3.813,334 2.858,335 3.897,337 9.078,338 2.726,339 3.819,340 2.683,341 6.004,342 3.493,343 2.542,344 3.217,346 8.342,347 2.41,348 3.697,349 2.447,350 5.697,351 3.295,352 2.344,353 3.102,355 7.397,356 2.222,357 3.033,358 1.938,359 4.82,360 2.684,361 1.743,362 2.256,364 4.818,365 1.636,366 2.989,367 1.818,368 4.502,369 2.471,370 1.542,371 2.127,373 4.244,374 1.428,375 2.847,376 1.532,377 4.148,378 2.408,379 1.461,380 1.978,382 3.648,383 1.377,384 2.532,385 1.145,386 3.86,387 2.018,388 1.077,389 1.545,391 2.764,392 1.01,393 2.134,394 0.975,395 3.493,396 1.795,397 0.836,398 1.046,400 2.067,401 0.798,402 1.762,403 0.818,404 2.952,405 1.444,406 0.56,407 0.654,409 0.985,410 0.491,411 1.062,412 0.199,413 2.597,414 0.652,415 -0.257,416 -0.308,417 -0.474,418 -0.23,419 0.966,420 -0.15,421 2.423,422 0.591,423 -0.311,424 -0.389,425 -0.695,426 -0.279,427 0.773,428 -0.438,429 2.265,430 0.342,431 -0.611,432 -0.8,433 -1.676,434 -0.578,435 0.587,436 -0.768,437 2.233,438 0.089,439 -0.846,440 -1,441 -2,442 -0.785,443 0.189,444 -0.959,445 2,447 -1,448 -1.139,449 -2.339,450 -1,451 10.167,452 0.462,453 0.648,454 0.029,455 30.25,456 1.375,457 15.5,458 0.705,459 14.75,460 0.67,461 16.292,462 0.741,463 24.033,464 0.616,465 21.785,466 0.99,467 5.957,468 0.271,469 4.567,470 0.208,471 0.22,473 0.433,478 0.961,479 1.334,480 0.787,481 1.105,482 1.083,483 0.941,484 0.961,485 1.049,486 0.679,487 0.839,488 0.654,489 0.727,490 0.991,491 1.26,492 0.863,493 0.995,494 0.821,495 0.905,496 0.997,497 0.997,498 0.974,499 0.969,500 0.932,501 0.964,502 1.058,503 1.115,504 1.201,505 1.099,506 1.167,507 1.155,508 0.715,509 1.237,510 1.018,511 1.227,512 0.857,513 1.18,514 0.805,515 0.975,516 1.16,517 1.159,518 1.032,519 1.206,520 0.868,521 0.694,522 0.86,523 0.885,524 1.07,525 0.885,526 4.5,527 0.012,528 3.111,529 2.167,530 1.847,531 0.889,532 0.566,533 0.386,534 0.204,535 0.066,536 4197,537 12186,538 2.017,539 43.6,541 7,543 1,544 3,546 6,549 1.652,550 1.833,551 2.976,552 1.114,553 1,554 1,556 1,558 64.431,559 1.652,560 3.901,561 4.541,562 4.663,563 4.663,564 4.663,565 2.461,566 4.278,567 4.429,568 3.1,569 716.165,570 7.646,571 7561.51,572 1,573 1,575 1,576 206.131,577 1.544,578 4.36,579 0.188,580 0.004,581 0.089,582 0.057,583 0.051,584 0.031,585 0.021,586 0.02,587 0.016,588 0.009,589 0.486,590 0.67,591 1,592 1.003,593 98.516,594 -0.08,595 -0.102,596 0.034,597 -0.031,598 -0.202,599 0.014,600 -0.001,601 0.065,602 0.228,603 0.178,604 0.08,605 0.231,606 -0.004,607 -0.131,608 0.043,609 -0.007,610 0.067,611 0.028,612 -0.047,613 0.079,614 -0.039,615 -0.006,616 -0.013,617 -0.024,618 -0.184,619 -0.058,620 -0.277,621 -0.121,622 -0.164,623 -0.199,624 0.053,625 -0.209,626 -0.093,627 -0.231,628 0.004,629 -0.195,630 0.119,631 -0.025,632 -0.171,633 -0.218,634 0.03,635 -0.24,636 0.208,637 0.057,638 0.226,639 0.072,640 0.132,641 0.142,642 1.623,643 3.988,644 0.682,645 15.355,646 1.012,647 1.139,648 2.656,649 7.052,650 0.654,651 3.219,652 3.584,653 3.912,654 4.22,655 4.466,656 4.605,657 4.682,658 4.771,659 4.754,660 4.673,661 4.839,662 0.633,663 299.37,664 3.219,665 4.779,666 5.659,667 6.569,668 7.475,669 8.393,670 9.308,671 10.23,672 11.148,673 12.072,674 12.8,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,714 1,716 39,718 16,719 1,720 24,722 41,723 15,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 4,756 1,757 1,760 17,761 6,762 3,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,823 3,827 22,828 1,832 1,835 1,837 1,850 5.1,852 1,855 1,858 12,859 7.917,860 4.861,861 2.205,863 3.147,864 1.452,865 0.95,866 3.726,867 10.109,868 3.497,869 4.186,870 4.882,871 5.555,872 6.137,873 6.55,874 6.98,875 7.422,876 7.685,877 7.948,878 1,879 38,880 8.07,881 3.412,882 7.841,883 15.12,884 12.138,885 2.341,886 51.5,890 164.795,891 83.383,892 84.908,894 53.683,897 83.383,898 218.479,899 84.908,900 28.533,902 61.326,903 106.404,904 35.154,905 2.328,906 153.024,908 164.795,909 168.291,910 53.683,913 94.169,914 124.31,917 32.518,918 85.539,919 50.234,921 164.795,922 138.591,923 83.383,926 164.795,927 17.802,928 67.357,930 136.814,931 164.795,932 138.591,933 83.383,935 0.59,936 0.363,937 0.201,938 0.111,939 18,940 9,941 0.073,942 3,943 1,944 1.133,945 3.238,946 180.985,947 0.133,948 15,949 96.107,954 14.755,955 5.555,956 2.44,957 1.355,958 136.814,959 6.521,960 12.935,964 2.175,965 1.796,966 75.581,967 386.769,968 32,980 39.465,981 44.402,983 0.313,984 0.738,985 0.859,986 0.882,987 0.882,988 0.882,989 4.745,990 1.077,991 5.68,992 3.648,993 4.263,994 4.871,995 0.908,996 6.567,997 4.162,998 5.996,999 0.836,1000 7.292,1001 2.764,1002 4.007,1003 4.856,1005 7.633,1006 3.871,1007 7.34,1008 0.56,1009 9.006,1010 2.067,1011 5.927,1012 7.211,1013 0.739,1014 10.773,1015 5.745,1016 8.726,1017 -0.257,1018 10.777,1019 0.985,1020 6.479,1021 8.036,1023 12.67,1024 6.26,1025 10.146,1026 -0.311,1027 12.584,1028 -0.474,1029 7.912,1030 9.887,1031 0.593,1032 15.354,1033 7.657,1034 11.591,1035 -0.611,1036 14.417,1037 -0.695,1038 8.817,1039 11.101,1041 17.595,1042 8.525,1043 13.055,1044 -0.846,1045 16.269,1046 -1.676,1047 10.077,1048 12.758,1049 0.469,1050 20.136,1051 9.752,1052 3.338,1053 -1,1054 18.135,1055 -2,1056 11.139,1057 14.153,1059 22.522,1060 10.777,1061 2.858,1062 12.087,1063 20.014,1064 -2.339,1065 12.341,1066 15.735,1067 0.366,1068 25.02,1069 11.947,1070 2.542,1071 9.078,1072 21.901,1073 4.732,1074 13.473,1075 17.214,1077 27.467,1078 13.043,1079 2.344,1080 8.342,1081 23.798,1082 3.897,1083 14.661,1084 18.77,1085 0.283,1086 29.956,1087 14.197,1088 1.743,1089 7.397,1090 25.701,1091 3.217,1092 15.825,1093 20.286,1095 32.428,1096 15.326,1097 1.542,1098 4.818,1099 27.61,1100 3.102,1101 17.012,1102 21.835,1103 0.217,1104 34.916,1105 16.479,1106 1.461,1107 4.244,1108 29.524,1109 2.256,1110 18.192,1111 23.369,1113 37.398,1114 17.624,1115 4232,1116 7326,1117 15.433,1118 25.506,1119 36.952,1120 36.994,1121 39.09,1122 36.612,1123 36.603,1124 49.11,1125 1.72,1126 110.861,1127 34.633,1128 5.438,1129 5.379,1130 6.58,1131 5.374,1132 5.338,1133 7.732,1134 1.72,1135 19.553,1136 5.218,1137 12.755,1138 1.54,1139 1.541,1140 1.629,1141 1.525,1142 1.525,1143 2.046,1144 0.072,1145 4.619,1146 1.443,1147 4.133,1148 4.179,1149 4.116,1150 3.992,1151 6.47,1152 4.016,1153 3.849,1154 3.87,1155 3.805,1156 3.731,1157 5.255,1158 3.747,1159 3.577,1160 3.654,1161 3.445,1162 3.406,1163 4.879,1164 3.399,1165 3.289,1166 3.351,1167 3.179,1168 3.039,1169 4.749,1170 3.068,1171 3.139,1172 3.233,1173 2.97,1174 2.861,1175 4.518,1176 2.873,1177 2.995,1178 3.102,1179 2.868,1180 2.746,1181 4.292,1182 2.75,1183 2.93,1184 3.009,1185 2.804,1186 2.683,1187 4.038,1188 2.719,1189 2.874,1190 2.97,1191 2.543,1192 2.618,1193 3.686,1194 2.57,1195 0.198,1196 0.141,1197 0.293,1198 0.179,1199 0.139,1200 4.76,1201 0.197,1202 3.379,1203 0.036,1204 7.039,1205 0.504,1206 4.302,1207 0.134,1208 3.338,1209 4.732,1210 0.86,1211 12.087,1212 3.218,1213 1.924,1214 1.907,1215 1.991,1216 2.038,1217 1.153,1218 2.019,1219 1.794,1220 1.748,1221 1.944,1222 1.986,1223 1.107,1224 1.971,1225 1.61,1226 1.548,1227 1.771,1228 1.815,1229 0.83,1230 1.812,1231 1.228,1232 1.168,1233 1.569,1234 1.525,1235 0.573,1236 1.537,1237 1.075,1238 0.992,1239 1.417,1240 1.379,1241 0.469,1242 1.356,1243 0.934,1244 0.839,1245 1.245,1246 1.239,1247 0.255,1248 1.308,1249 0.883,1250 0.804,1251 1.149,1252 1.21,1253 0.139,1254 1.19,1255 0.856,1256 0.764,1257 1.107,1258 1.133,1259 0.034,1260 1.13,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.447,1268 7.081,1269 10.147,1271 5.531,1275 6.01,1276 9.988,1279 5.065,1281 0.123,1289 24.697,1290 64.431,1291 152.157,1292 177.111,1293 181.866,1294 181.866,1295 181.866,1296 35.032,1297 6.961,1298 99.08,1299 99.08,1300 17,1301 12.579,1302 4.087,1303 3.17,1304 34.208,1305 62,1306 74,1307 0.278,1308 153.948,1309 252.38,1310 367.392,1311 8101,1313 15.853,1314 0.721,1315 0.573,1316 15.853,1317 12.608,1318 10.524,1319 0.439,1320 0.287,1321 6.751,1322 9.98,1323 6.505,1324 5.467,1325 10.524,1326 6.886,1327 9.676,1328 0.276,1329 0.149,1330 9.676,1331 5.231,1332 8.311,1333 0.17,1334 0.071,1335 8.311,1336 3.46,1337 7.137,1338 0.107,1339 0.036,1340 7.137,1341 2.395,1342 5.65,1343 0.066,1344 0.018,1345 5.65,1346 1.589,1347 0.415,1348 66.98,1349 0.255,1350 21.024,1351 0.832,1352 118,1353 365.778,1354 132.418,1355 353.071,1356 490.11,1357 330,1358 143,1359 375.869,1360 158.724,1361 379.696,1362 557.82,1363 355,1364 6.133}
{0 CHEMBL1242115,1 1.71,2 9.667,3 2.699,4 7.284,5 107.761,6 8.294,7 0.533,8 3.953,9 4.081,10 3.655,11 3.51,12 5.104,13 3.483,14 4.466,15 4.641,16 4.05,17 3.892,18 5.595,19 3.849,20 4.636,21 4.837,22 4.006,23 3.948,24 5.761,25 3.903,26 4.679,27 4.888,28 4.072,29 3.953,30 5.895,31 3.921,32 4.662,33 4.863,34 3.99,35 3.981,36 5.777,37 3.922,38 4.66,39 4.843,40 3.948,41 3.987,42 5.851,43 3.906,44 4.725,45 4.966,46 3.78,47 3.927,48 5.761,49 3.797,50 4.638,51 4.926,52 3.63,53 3.721,54 5.677,55 3.566,56 0.085,57 0.785,58 8.627,59 3.857,60 10.002,61 4.74,62 0.298,63 1.24,64 19.491,65 6.662,66 25.576,67 8.531,68 0.291,69 1.364,70 23.278,71 7.607,72 29.777,73 9.748,74 0.496,75 1.392,76 22.809,77 7.206,78 50.294,79 9.46,80 0.292,81 1.362,82 21.182,83 7.568,84 33.903,85 9.92,86 0.379,87 1.368,88 22.417,89 8.058,90 52.033,91 9.935,92 0.378,93 1.353,94 25.752,95 8.824,96 42.746,97 11.926,98 0.499,99 1.122,100 28.175,101 9.084,102 63.231,103 12.826,104 18,105 43,106 0.291,107 0.686,108 0.815,109 0.845,110 0.852,111 0.852,112 3.341,113 0.961,114 -4.66,115 -4.58,116 -4.31,118 39.1,119 2,124 2,126 1,138 4,139 3,142 1,143 1,144 1,153 1,154 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 9,172 1,173 3,175 3,178 8,180 1,181 1,182 7,186 2,188 5,191 3,192 12,194 3,195 3,197 3,199 5,201 1,204 10,208 3,211 5,213 2,214 1,215 10,218 1,220 5,223 6,225 4,227 1,228 3,231 1,233 1,235 5,237 1,239 3,240 2,242 1,243 3,244 1,246 1,247 3,251 1,252 3,257 2,264 1088,265 18.206,266 18.206,267 18.206,268 18.206,269 18.206,270 16,271 15.932,272 10.643,273 18.798,274 14.811,275 14.811,276 14.811,277 14.811,278 14.811,279 11.337,280 12.494,281 5.031,282 15.757,283 3.813,284 1.487,285 0.728,286 0.555,287 0.511,288 0.511,289 4.033,292 1,293 1,294 1,295 568,296 3.317,299 129.671,300 150.129,303 104.596,307 1.556,308 26.933,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 58.5,320 261,321 4.759,322 4.517,323 7.039,324 4.301,325 3.337,326 4.731,327 3.655,328 12.087,329 3.22,330 4.233,331 3.551,332 6.199,333 3.863,334 2.876,335 3.824,336 1.055,337 9.132,338 2.843,339 3.911,340 3.369,341 6.031,342 3.541,343 2.599,344 3.257,345 0.624,346 8.477,347 2.469,348 3.797,349 2.811,350 5.721,351 3.402,352 2.481,353 3.186,355 7.521,356 2.314,357 3.681,358 2.716,359 5.327,360 3.241,361 2.316,362 3.001,364 6.836,365 2.065,366 3.139,367 2.532,368 4.82,369 2.692,370 1.747,371 2.398,373 4.819,374 1.648,375 3.019,376 1.972,377 4.529,378 2.621,379 1.66,380 2.14,382 4.385,383 1.585,384 2.795,385 1.809,386 4.037,387 2.3,388 1.352,389 1.904,391 3.347,392 1.276,393 2.562,394 1.663,395 3.843,396 2.15,397 1.195,398 1.547,400 2.762,401 1.135,402 2.456,403 1.445,404 3.512,405 1.965,406 1,407 1.437,409 2.529,410 0.962,411 2.208,412 1.185,413 3.446,414 1.908,415 0.923,416 1.133,417 2.182,418 0.893,419 2.111,420 1,421 3.312,422 1.735,423 0.775,424 1.005,425 1.971,426 0.742,427 1.76,428 0.814,429 3,430 1.416,431 0.618,432 0.664,433 1.372,434 0.486,435 1.062,436 0.784,437 2.617,438 0.632,439 -0.285,440 -0.363,441 -0.667,442 -0.261,443 0.93,444 0.008,445 2.514,446 0.555,447 -0.401,448 -0.475,449 -1.036,450 -0.376,451 12.967,452 0.48,453 0.716,454 0.027,455 35.75,456 1.324,457 17.5,458 0.648,459 18.25,460 0.676,461 22.762,462 0.843,463 28.433,464 0.618,465 26.265,466 0.973,467 6.617,468 0.245,469 6.425,470 0.238,471 0.134,473 0.378,478 0.811,479 1.259,480 0.721,481 0.922,482 0.739,483 0.871,484 0.648,485 1.112,486 0.874,487 1.036,488 0.552,489 0.861,490 1.117,491 1.207,492 0.977,493 1.026,494 0.9,495 0.94,496 1.152,497 0.871,498 0.767,499 0.76,500 1.166,501 0.831,502 1.203,503 1.061,504 0.851,505 0.889,506 1.081,507 0.983,508 1.306,509 1.15,510 1.171,511 1.127,512 1.504,513 1.2,514 0.902,515 1.02,516 1.016,517 1.057,518 0.988,519 1.184,520 0.404,521 0.709,522 0.711,523 0.855,524 0.547,525 0.882,526 5,527 0.116,528 3.111,529 2.326,530 1.891,531 0.979,532 0.508,533 0.49,534 0.228,535 0.171,536 8480,537 24079,538 2.097,539 41.3,541 9,543 1,544 3,546 6,549 1.704,550 1.952,551 3.261,552 1.018,553 1,554 1,558 78.663,559 1.71,560 4.036,561 4.795,562 4.969,563 5.012,564 5.012,565 2.685,566 4.385,567 4.726,568 3.438,569 1206.62,570 8.224,571 15132.1,573 1,575 1,576 254.084,577 1.447,578 4.681,579 0.167,580 0.007,581 0.072,582 0.054,583 0.043,584 0.024,585 0.013,586 0.016,587 0.009,588 0.009,589 0.414,590 0.17,591 1,592 0.76,593 132.165,594 -0.046,595 -0.082,596 0.057,597 0.034,598 -0.103,599 0.031,600 0.213,602 0.106,603 -0.004,604 0.119,605 0.084,606 -0.131,607 -0.164,608 -0.068,609 -0.083,610 -0.011,611 -0.006,612 0.021,613 0.165,614 0.04,615 0.076,616 0.022,617 0.06,618 -0.212,619 -0.045,620 -0.067,621 -0.017,622 -0.083,623 -0.055,624 -0.215,625 -0.112,626 -0.285,627 -0.173,628 -0.196,629 -0.272,630 -0.048,631 -0.073,632 -0.133,633 -0.138,634 -0.136,635 -0.2,636 0.468,637 0.11,638 0.283,639 0.117,640 0.362,641 0.187,642 1.859,643 5.548,644 0.741,645 23.196,646 1.009,647 1.133,648 3.434,649 11.794,650 0.689,651 3.434,652 3.784,653 4.094,654 4.407,655 4.615,656 4.745,657 4.86,658 4.963,659 4.997,660 5.05,661 6,662 0.657,663 381.51,664 3.434,665 4.99,666 5.861,667 6.76,668 7.654,669 8.562,670 9.465,671 10.377,672 11.286,673 12.201,674 15.2,678 1,681 1,682 1,683 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,704 1,708 1,716 46,718 18,719 1,720 30,722 49,723 18,724 11,725 2,726 4,727 1,728 4,729 5,732 2,738 1,740 13,741 5,744 2,749 1,752 1,753 2,757 1,760 19,761 7,762 3,763 9,764 1,769 7,775 0.75,776 1,785 1,788 1,793 2,794 2,797 1,819 3,820 1,821 1,823 2,827 27,828 1,833 2,834 1,836 1,837 1,850 2.2,853 1,858 13.833,859 8.917,860 5.861,861 2.75,863 3.462,864 1.457,865 1.005,866 4.853,867 11.042,868 3.714,869 4.353,870 5.003,871 5.657,872 6.204,873 6.608,874 7.063,875 7.496,876 7.787,877 8.114,878 1,879 43,880 9.963,881 4.284,882 7.759,883 18.911,884 15.562,885 2.259,886 61,889 1,890 188.338,891 120.541,892 119.704,894 25.145,896 32.22,897 88.321,898 213.483,899 119.704,900 17.65,901 21.016,902 70.802,903 93.57,904 38.882,905 3.021,906 208.786,908 188.338,909 208.025,910 25.145,911 32.22,913 117.711,914 95.772,917 70.319,918 87.472,919 50.234,920 32.22,921 188.338,922 144.849,923 120.541,926 188.338,927 56.367,928 65.951,929 18.011,930 125.062,931 188.338,932 144.849,933 120.541,935 0.587,936 0.35,937 0.197,938 0.106,939 22,940 10,941 0.082,942 4,943 1,944 1.1,945 3.805,946 240.804,947 0.1,948 20,949 126.382,950 1,954 17.959,955 7.296,956 3.427,957 1.374,958 143.072,959 8.728,960 13.153,964 2.354,965 1.819,966 50.908,967 453.727,968 40,973 12.548,976 4.256,977 0.472,980 46.418,981 52.109,983 0.31,984 0.731,985 0.868,986 0.9,987 0.907,988 0.907,989 4.963,990 1.352,991 5.861,992 4.385,993 4.466,994 5.04,995 3.393,996 6.715,997 4.362,998 6.19,999 1.195,1000 7.446,1001 3.347,1002 4.111,1003 4.934,1004 1.998,1005 7.708,1006 3.994,1007 7.517,1008 1,1009 9.135,1010 2.762,1011 6.094,1012 7.31,1013 5.797,1014 10.857,1015 5.912,1016 8.885,1017 0.923,1018 10.885,1019 2.529,1020 6.581,1021 8.08,1022 4.966,1023 12.718,1024 6.388,1025 10.288,1026 0.775,1027 12.675,1028 2.182,1029 8.037,1030 9.932,1031 8.334,1032 15.398,1033 7.799,1034 11.717,1035 0.618,1036 14.494,1037 1.971,1038 8.901,1039 11.115,1040 7.845,1041 17.622,1042 8.647,1043 13.166,1044 -0.285,1045 16.334,1046 1.372,1047 10.165,1048 12.769,1049 10.885,1050 20.158,1051 9.876,1052 3.337,1053 -0.401,1054 18.19,1055 -0.667,1056 11.202,1057 14.15,1058 10.642,1059 22.537,1060 10.89,1061 2.876,1062 12.087,1063 20.06,1064 -1.036,1065 12.401,1066 15.73,1067 13.438,1068 25.032,1069 12.057,1070 2.599,1071 9.132,1072 21.94,1073 4.731,1074 13.518,1075 17.203,1076 13.39,1077 27.475,1078 13.145,1079 2.481,1080 8.477,1081 23.83,1082 3.824,1083 14.701,1084 18.758,1085 15.994,1086 29.962,1087 14.295,1088 2.316,1089 7.521,1090 25.728,1091 3.257,1092 15.856,1093 20.274,1094 16.105,1095 32.432,1096 15.418,1097 1.747,1098 6.836,1099 27.633,1100 3.186,1101 17.038,1102 21.823,1103 18.553,1104 34.919,1105 16.566,1106 1.66,1107 4.819,1108 29.544,1109 3.001,1110 18.213,1111 23.357,1112 18.797,1113 37.401,1114 17.706,1115 8086,1116 13789,1117 19.997,1118 31.711,1119 46.201,1120 49.879,1121 47.098,1122 45.66,1123 45.757,1124 60.455,1125 10.668,1126 134.844,1127 43.276,1128 5.68,1129 6.517,1130 6.654,1131 5.397,1132 5.337,1133 7.731,1134 7.134,1135 19.556,1136 5.22,1137 13.091,1138 1.54,1139 1.663,1140 1.57,1141 1.522,1142 1.525,1143 2.015,1144 0.356,1145 4.495,1146 1.443,1147 4.136,1148 4.182,1149 4.121,1150 4.003,1151 7.429,1152 4.023,1153 3.88,1154 3.912,1155 4.002,1156 3.769,1157 5.256,1158 3.78,1159 3.713,1160 3.762,1161 3.801,1162 3.635,1163 4.88,1164 3.576,1165 3.576,1166 3.654,1167 3.445,1168 3.407,1169 4.696,1170 3.399,1171 3.31,1172 3.355,1173 3.27,1174 3.098,1175 4.64,1176 3.128,1177 3.169,1178 3.252,1179 3.067,1180 2.939,1181 4.469,1182 2.963,1183 2.998,1184 3.108,1185 2.876,1186 2.694,1187 4.072,1188 2.73,1189 2.874,1190 3.009,1191 2.646,1192 2.621,1193 3.741,1194 2.619,1195 0.159,1196 0.151,1197 0.235,1198 0.143,1199 0.111,1200 4.759,1201 0.158,1202 4.517,1203 0.122,1204 7.039,1205 0.403,1206 4.301,1207 0.107,1208 3.337,1209 4.731,1210 3.655,1211 12.087,1212 3.22,1213 1.948,1214 1.928,1215 2.026,1216 2.043,1217 1.16,1218 2.032,1219 1.804,1220 1.756,1221 1.946,1222 1.996,1223 1.13,1224 1.98,1225 1.619,1226 1.555,1227 1.78,1228 1.822,1229 1.006,1230 1.82,1231 1.438,1232 1.364,1233 1.692,1234 1.681,1235 0.848,1236 1.682,1237 1.34,1238 1.309,1239 1.417,1240 1.537,1241 0.469,1242 1.545,1243 1.14,1244 1.083,1245 1.4,1246 1.392,1247 0.463,1248 1.37,1249 0.962,1250 0.934,1251 1.271,1252 1.239,1253 0.304,1254 1.308,1255 0.934,1256 0.804,1257 1.167,1258 1.22,1259 0.229,1260 1.213,1261 4.111,1263 5.451,1264 3.045,1265 6.98,1266 5.352,1267 8.6,1268 7.445,1269 10.273,1271 4.052,1275 6.112,1277 1.631,1278 2.845,1280 1.546,1281 0.111,1289 30.213,1290 78.663,1291 185.666,1292 220.574,1293 228.574,1294 230.574,1295 230.574,1296 43.514,1297 7.581,1298 111.08,1299 136.38,1300 22,1301 12.714,1302 4.248,1303 3.459,1304 40.075,1305 96,1306 97,1307 0.205,1308 190.2,1309 318.36,1310 455.847,1311 19772,1313 18.966,1314 0.702,1315 0.586,1316 19.319,1317 15.825,1318 13.042,1319 0.435,1320 0.32,1321 8.58,1322 12.048,1323 8.25,1324 6.849,1325 13.496,1326 9.606,1327 12.007,1328 0.279,1329 0.174,1330 12.617,1331 7.498,1332 10.139,1333 0.172,1334 0.086,1335 10.755,1336 5.103,1337 8.778,1338 0.108,1339 0.045,1340 9.401,1341 3.669,1342 6.815,1343 0.068,1344 0.022,1345 7.119,1346 2.158,1347 0.315,1348 86.374,1349 0.224,1350 25.579,1351 0.58,1352 146,1353 430.467,1354 184.876,1355 441.337,1356 612.43,1357 414,1358 175,1359 451.353,1360 208.268,1361 467.253,1362 690.55,1363 440,1364 5.536}
{0 CHEMBL1242117,1 1.703,2 7.909,3 1.258,4 1.582,5 82.702,6 8.888,7 0.64,8 3.67,9 3.775,10 3.389,11 3.205,12 4.94,13 3.241,14 4.139,15 4.277,16 3.78,17 3.589,18 5.398,19 3.624,20 4.296,21 4.431,22 3.853,23 3.691,24 5.587,25 3.718,26 4.354,27 4.515,28 3.767,29 3.662,30 5.678,31 3.655,32 4.277,33 4.476,34 3.535,35 3.556,36 5.431,37 3.515,38 4.215,39 4.431,40 3.417,41 3.409,42 5.433,43 3.37,44 4.113,45 4.355,46 3.322,47 3.23,48 5.226,49 3.197,50 3.829,51 4.018,52 3.188,53 2.928,54 5.336,55 2.934,56 0.116,57 0.55,58 4.503,59 2.468,60 8.456,61 2.548,62 0.266,63 0.852,64 9.048,65 4.031,66 17.593,67 4.316,68 0.305,69 0.963,70 10.538,71 4.752,72 26.002,73 4.898,74 0.481,75 1.005,76 12.132,77 5.086,78 42.974,79 5.488,80 0.295,81 0.913,82 12.373,83 4.899,84 23.776,85 5.912,86 0.388,87 0.832,88 12.673,89 4.321,90 39.582,91 5.29,92 0.339,93 0.689,94 13.813,95 4.638,96 28.538,97 6.358,98 0.38,99 0.504,100 8.904,101 3.11,102 39.413,103 4.013,104 10,105 37,106 0.308,107 0.743,108 0.85,109 0.876,110 0.876,111 0.876,112 3.149,113 0.792,114 -3.46,115 -3.44,116 -3.29,118 45.5,123 1,132 1,134 1,138 3,139 3,140 1,142 1,143 1,144 1,152 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 10,172 1,173 1,175 1,178 6,180 1,181 1,182 6,188 5,191 3,192 9,194 3,195 3,197 1,199 4,201 1,204 7,208 2,211 1,213 2,214 2,215 7,220 2,223 1,225 2,227 2,228 1,239 4,240 2,242 2,243 2,245 1,249 1,264 554,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.748,271 13.007,272 8.533,273 15.267,274 12.321,275 12.321,276 12.321,277 12.321,278 12.321,279 8.923,280 12.623,281 4.01,282 12.847,283 3.341,284 0.94,285 0.349,286 0.205,287 0.205,288 0.205,289 3.846,293 1,294 1,295 386,296 2.121,299 37.719,300 141.454,303 72.898,304 78.824,307 1.116,308 24.857,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 48.5,320 174,321 4.741,322 3.564,323 6.988,324 4.277,325 3.308,326 4.719,327 0.86,328 11.879,329 3.208,330 4.392,331 3.318,332 6.481,333 4.007,334 3.02,335 4.04,337 10.071,338 2.981,339 3.815,340 2.836,341 5.913,342 3.421,343 2.444,344 3.242,346 8.106,347 2.39,348 3.649,349 2.488,350 5.504,351 3.194,352 2.261,353 3.086,355 6.779,356 2.107,357 3.395,358 2.373,359 5.036,360 2.978,361 1.988,362 2.656,364 5.698,365 1.946,366 3.035,367 1.82,368 4.501,369 2.508,370 1.581,371 2.25,373 4.292,374 1.457,375 2.9,376 1.492,377 4.327,378 2.337,379 1.389,380 1.956,382 3.667,383 1.312,384 2.712,385 1.392,386 4.039,387 2.243,388 1.296,389 1.799,391 3.393,392 1.223,393 2.479,394 1.292,395 3.631,396 1.98,397 1.03,398 1.453,400 2.504,401 0.973,402 2.399,403 1.043,404 3.361,405 1.84,406 0.869,407 1.25,409 2.081,410 0.836,411 1.419,412 0.561,413 2.72,414 0.893,415 -0.104,416 -0.15,417 -0.249,418 -0.102,419 1.093,420 -0.075,421 2.444,422 0.668,423 -0.247,424 -0.315,425 -0.58,426 -0.226,427 0.803,428 -0.215,429 2.381,430 0.426,431 -0.53,432 -0.65,433 -1.309,434 -0.501,435 0.727,436 -0.497,437 2.277,438 0.288,439 -0.628,440 -0.813,441 -1.516,442 -0.573,443 0.669,444 -0.615,445 2.27,446 0.226,447 -0.789,448 -1.086,449 -2.387,450 -0.794,451 10.167,452 0.462,453 0.61,454 0.028,455 33.25,456 1.511,457 18,458 0.818,459 15.25,460 0.693,461 13.207,462 0.6,463 22.233,464 0.674,465 23.535,466 1.07,467 6.697,468 0.304,469 3.951,470 0.18,471 0.121,473 0.433,478 0.806,479 1.166,480 0.631,481 0.948,482 0.73,483 0.781,484 0.913,485 0.891,486 0.654,487 0.766,488 0.628,489 0.663,490 1.145,491 1.174,492 0.88,493 1.02,494 0.985,495 0.914,496 0.953,497 0.953,498 1.111,499 1.054,500 1.065,501 1.113,502 0.865,503 1.175,504 1.127,505 1.164,506 0.802,507 1.185,508 0.932,509 1.007,510 1.187,511 1.026,512 1.048,513 1.117,514 0.707,515 0.956,516 0.725,517 0.945,518 0.853,519 0.861,520 0.672,521 0.966,522 0.842,523 1.103,524 0.734,525 1.053,526 4,528 3.111,529 2.104,530 1.69,531 0.639,532 0.364,533 0.484,534 0.11,535 0.069,536 4712,537 14901,538 2.148,539 33.3,541 7,542 1,543 1,544 2,549 1.649,550 2,551 2.977,552 0.393,554 1,556 1,558 56.198,559 1.703,560 4.104,561 4.696,562 4.84,563 4.84,564 4.84,565 2.368,566 4.096,567 4.436,568 3.082,569 712.003,570 7.639,571 7494.05,572 1,573 1,576 166.465,577 1.437,578 4.388,579 0.16,581 0.084,582 0.054,583 0.05,584 0.024,585 0.016,586 0.023,587 0.006,588 0.01,589 0.427,590 0.67,591 1,592 0.595,593 98.439,594 -0.069,595 -0.059,596 0.039,597 -0.025,598 -0.138,599 0.024,600 -0.05,601 0.181,602 0.133,603 0.167,604 0.022,605 0.193,606 -0.19,607 -0.142,608 -0.071,609 -0.079,610 -0.09,611 -0.051,612 0.033,613 0.075,614 -0.234,615 -0.124,616 -0.034,617 -0.228,618 -0.14,619 -0.19,620 -0.186,621 -0.197,622 -0.044,623 -0.195,624 -0.063,625 -0.018,626 -0.178,627 -0.081,628 -0.125,629 -0.13,630 0.212,631 -0.094,632 0.439,633 0.09,634 0.069,635 0.276,636 0.61,637 -0.057,638 0.249,639 -0.13,640 0.631,641 -0.063,642 1.771,643 4.963,644 0.864,645 13.926,646 1.025,647 1.126,648 2.234,649 4.992,650 0.704,651 3.258,652 3.638,653 3.989,654 4.317,655 4.575,656 4.644,657 4.787,658 4.963,659 5.056,660 5.024,661 4.815,662 0.701,663 293.31,664 3.258,665 4.828,666 5.72,667 6.635,668 7.544,669 8.462,670 9.377,671 10.296,672 11.213,673 12.134,674 15.2,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,702 1,708 1,714 1,716 33,718 18,719 1,720 25,722 36,723 15,724 11,725 3,726 3,727 3,728 4,729 6,740 14,741 1,744 2,749 1,751 2,753 1,756 1,757 1,760 11,761 6,762 2,763 7,769 5,775 0.5,776 2,785 1,788 1,793 1,794 3,797 1,798 1,811 1,819 2,823 1,827 22,828 1,835 1,850 6.1,853 1,855 1,858 11,859 6.467,860 4.694,861 1.809,863 3.687,864 1.496,865 1.048,866 2.743,867 11.115,868 3.584,869 4.273,870 4.976,871 5.645,872 6.224,873 6.614,874 7.09,875 7.577,876 7.928,877 8.241,878 1,879 39,880 8.069,881 3.55,882 7.902,883 14.998,884 12.425,885 2.402,886 52.833,890 105.94,891 92.575,892 84.908,894 36.145,897 92.575,898 142.085,899 84.908,900 8.396,901 11.534,902 70.802,903 93.999,904 38.339,905 14.099,906 82.398,908 105.94,909 177.483,910 36.145,913 105.94,914 36.145,917 14.867,918 102.905,919 59.71,921 105.94,922 121.053,923 92.575,926 105.94,927 26.121,928 68.231,930 119.276,931 105.94,932 121.053,933 92.575,935 0.596,936 0.368,937 0.209,938 0.116,939 21,940 9,941 0.028,942 1,943 2,944 1.211,945 3.351,946 188.78,947 0.211,948 19,949 98.107,954 12.984,955 4.648,956 1.924,957 1.312,958 119.276,959 6.722,960 12.675,964 2.78,965 1.639,966 32.897,967 319.568,968 35,973 11.963,975 2.77,977 -0.104,980 33.814,981 37.156,983 0.338,984 0.814,985 0.931,986 0.959,987 0.959,988 0.959,989 4.836,990 1.296,991 5.733,992 3.667,993 4.317,994 4.959,995 0.908,996 6.619,997 4.246,998 6.089,999 1.03,1000 7.339,1001 3.393,1002 4.007,1003 4.902,1005 7.656,1006 3.931,1007 7.431,1008 0.869,1009 9.046,1010 2.504,1011 5.979,1012 7.288,1013 0.739,1014 10.812,1015 5.856,1016 8.814,1017 -0.104,1018 10.812,1019 2.081,1020 6.494,1021 8.087,1023 12.694,1024 6.368,1025 10.23,1026 -0.247,1027 12.617,1028 -0.249,1029 7.958,1030 9.947,1031 0.593,1032 15.375,1033 7.793,1034 11.671,1035 -0.53,1036 14.447,1037 -0.58,1038 8.846,1039 11.149,1041 17.597,1042 8.669,1043 13.133,1044 -0.628,1045 16.297,1046 -1.309,1047 10.12,1048 12.803,1049 0.469,1050 20.122,1051 9.91,1052 3.308,1053 -0.789,1054 18.162,1055 -1.516,1056 11.172,1057 14.191,1059 22.484,1060 10.942,1061 3.02,1062 11.879,1063 20.038,1064 -2.387,1065 12.377,1066 15.768,1067 0.366,1068 24.96,1069 12.117,1070 2.444,1071 10.071,1072 21.924,1073 4.719,1074 13.5,1075 17.239,1077 27.379,1078 13.214,1079 2.261,1080 8.106,1081 23.817,1082 4.04,1083 14.683,1084 18.789,1085 0.283,1086 29.842,1087 14.368,1088 1.988,1089 6.779,1090 25.716,1091 3.242,1092 15.837,1093 20.299,1095 32.286,1096 15.494,1097 1.581,1098 5.698,1099 27.62,1100 3.086,1101 17.015,1102 21.841,1103 0.217,1104 34.748,1105 16.641,1106 1.389,1107 4.292,1108 29.529,1109 2.656,1110 18.183,1111 23.368,1113 37.204,1114 17.78,1115 4459,1116 8045,1117 16.819,1118 23.222,1119 39.071,1120 40.028,1121 40.362,1122 38.37,1123 38.373,1124 52.904,1125 1.72,1126 116.94,1127 36.867,1128 5.548,1129 5.564,1130 6.532,1131 5.359,1132 5.308,1133 7.719,1134 1.72,1135 19.218,1136 5.208,1137 9.703,1138 1.563,1139 1.601,1140 1.614,1141 1.535,1142 1.535,1143 2.116,1144 0.069,1145 4.678,1146 1.475,1147 4.13,1148 4.174,1149 4.113,1150 4.004,1151 7.428,1152 4.023,1153 3.918,1154 3.935,1155 3.886,1156 3.788,1157 5.258,1158 3.811,1159 3.48,1160 3.518,1161 3.415,1162 3.354,1163 4.909,1164 3.363,1165 3.379,1166 3.468,1167 3.284,1168 3.09,1169 4.827,1170 3.124,1171 3.041,1172 3.11,1173 2.956,1174 2.873,1175 4.529,1176 2.881,1177 2.952,1178 3.041,1179 2.863,1180 2.762,1181 4.328,1182 2.77,1183 2.895,1184 2.959,1185 2.692,1186 2.587,1187 3.786,1188 2.606,1189 2.605,1190 2.66,1191 2.468,1192 2.46,1193 3.647,1194 2.456,1195 0.19,1196 0.143,1197 0.28,1198 0.171,1199 0.132,1200 4.741,1201 0.189,1202 3.564,1203 0.034,1204 6.988,1205 0.475,1206 4.277,1207 0.128,1208 3.308,1209 4.719,1210 0.86,1211 11.879,1212 3.208,1213 1.964,1214 1.952,1215 2.028,1216 2.057,1217 1.162,1218 2.046,1219 1.79,1220 1.752,1221 1.854,1222 1.988,1223 0.93,1224 1.952,1225 1.504,1226 1.463,1227 1.668,1228 1.747,1229 0.699,1230 1.72,1231 1.352,1232 1.277,1233 1.572,1234 1.565,1235 0.575,1236 1.569,1237 0.998,1238 0.942,1239 1.196,1240 1.247,1241 0.218,1242 1.243,1243 0.886,1244 0.842,1245 1.158,1246 1.179,1247 0.142,1248 1.174,1249 0.81,1250 0.696,1251 1.057,1252 1.076,1254 1.067,1255 0.603,1256 0.529,1257 0.836,1258 0.877,1260 0.88,1261 3.932,1263 5.293,1264 2.398,1265 6.864,1266 4.844,1267 8.53,1268 7.05,1269 10.244,1271 1.785,1275 5.966,1279 5.325,1289 23.117,1290 56.198,1291 135.445,1292 154.955,1293 159.71,1294 159.71,1295 159.71,1296 30.623,1297 7.428,1298 99.83,1299 99.83,1300 23,1301 12.643,1302 4.248,1303 3.459,1304 29.763,1305 64,1306 54,1307 0.237,1308 140.699,1309 234.74,1310 335.066,1311 15822,1313 15.267,1314 0.694,1315 0.529,1316 15.267,1317 11.647,1318 10.648,1319 0.426,1320 0.264,1321 6.472,1322 10.115,1323 6.334,1324 5.236,1325 10.648,1326 6.601,1327 9.931,1328 0.268,1329 0.133,1330 9.931,1331 4.926,1332 8.877,1333 0.167,1334 0.068,1335 8.877,1336 3.583,1337 7.816,1338 0.106,1339 0.034,1340 7.816,1341 2.543,1342 6.571,1343 0.068,1344 0.018,1345 6.571,1346 1.738,1347 0.355,1348 67.637,1349 0.244,1350 21.046,1351 0.7,1352 124,1353 403.364,1354 138.417,1355 389.051,1356 540.69,1357 364,1358 152,1359 414.589,1360 167.612,1361 417.118,1362 614.79,1363 392,1364 4}
{0 CHEMBL1242118,1 1.652,2 8.083,3 1.984,4 3.937,5 91.868,6 8.24,7 0.593,8 3.807,9 3.921,10 3.465,11 3.339,12 5.018,13 3.354,14 4.305,15 4.461,16 3.863,17 3.725,18 5.484,19 3.736,20 4.513,21 4.686,22 3.956,23 3.844,24 5.711,25 3.849,26 4.588,27 4.785,28 3.916,29 3.854,30 5.824,31 3.831,32 4.502,33 4.705,34 3.723,35 3.801,36 5.595,37 3.747,38 4.446,39 4.638,40 3.691,41 3.728,42 5.634,43 3.673,44 4.517,45 4.762,46 3.533,47 3.636,48 5.6,49 3.553,50 4.369,51 4.642,52 3.376,53 3.391,54 5.537,55 3.295,56 0.091,57 0.628,58 6.558,59 3.139,60 9.259,61 3.717,62 0.228,63 0.988,64 12.818,65 5.257,66 21.748,67 6.517,68 0.32,69 1.171,70 16.846,71 6.048,72 28.36,73 7.502,74 0.535,75 1.24,76 19.409,77 6.655,78 52.797,79 8.519,80 0.298,81 1.148,82 17.066,83 6.125,84 30.692,85 8.041,86 0.311,87 1.073,88 15.799,89 5.961,90 36.094,91 7.886,92 0.415,93 1.054,94 20.021,95 6.414,96 41.893,97 8.969,98 0.496,99 0.806,100 19.759,101 6.423,102 59.874,103 9.516,104 18,105 40,106 0.29,107 0.712,108 0.818,109 0.839,110 0.839,111 0.839,112 3.23,113 0.841,114 -3.96,115 -3.91,116 -3.71,118 43.6,119 2,126 1,132 1,134 1,138 3,139 3,140 1,142 1,143 1,144 1,152 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 12,172 1,173 1,175 1,178 7,180 1,181 1,182 8,188 5,191 3,192 11,194 3,195 3,197 1,199 6,201 1,204 7,208 2,211 3,213 2,214 2,215 9,220 4,223 5,225 4,227 2,228 1,235 4,239 4,240 2,242 2,243 2,245 1,249 1,252 4,260 2,264 746,265 16.137,266 16.137,267 16.137,268 16.137,269 16.137,270 14.032,271 16.169,272 9.22,273 16.499,274 13.305,275 13.305,276 13.305,277 13.305,278 13.305,279 9.935,280 15.123,281 4.322,282 13.863,283 3.633,284 1.229,285 0.622,286 0.5,287 0.5,288 0.5,289 3.925,292 1,293 1,294 1,295 424,296 2.739,299 42.808,300 158.248,303 82.459,304 87.827,307 1.174,308 26.18,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 52.5,320 194,321 4.762,322 3.564,323 7.04,324 4.306,325 3.341,326 4.732,327 0.86,328 12.091,329 3.228,330 4.396,331 3.367,332 6.487,333 4.015,334 3.028,335 4.042,337 10.093,338 2.99,339 3.863,340 2.847,341 6.122,342 3.535,343 2.573,344 3.27,346 8.697,347 2.477,348 3.757,349 2.679,350 5.731,351 3.362,352 2.396,353 3.174,355 7.501,356 2.311,357 3.396,358 2.461,359 5.036,360 2.979,361 1.989,362 2.656,364 5.698,365 1.947,366 3.043,367 1.853,368 4.82,369 2.684,370 1.744,371 2.255,373 4.819,374 1.636,375 3.008,376 1.791,377 4.5,378 2.507,379 1.581,380 2.13,382 4.276,383 1.457,384 2.896,385 1.473,386 4.042,387 2.332,388 1.38,389 1.955,391 3.394,392 1.309,393 2.53,394 1.292,395 3.857,396 2.018,397 1.066,398 1.539,400 2.754,401 1.011,402 2.423,403 1.068,404 3.494,405 1.891,406 0.909,407 1.279,409 2.17,410 0.884,411 2.125,412 0.857,413 3.359,414 1.752,415 0.788,416 1.021,417 1.976,418 0.756,419 1.417,420 0.555,421 2.72,422 0.892,423 -0.105,424 -0.151,425 -0.25,426 -0.102,427 1.059,428 -0.127,429 2.431,430 0.617,431 -0.299,432 -0.389,433 -0.696,434 -0.274,435 0.795,436 -0.25,437 2.379,438 0.42,439 -0.533,440 -0.659,441 -1.325,442 -0.503,443 0.691,444 -0.615,445 2.27,446 0.232,447 -0.762,448 -1,449 -2,450 -0.732,451 11.167,452 0.465,453 0.699,454 0.029,455 34.25,456 1.427,457 18,458 0.75,459 16.25,460 0.677,461 17.399,462 0.725,463 24.833,464 0.637,465 24.922,466 1.038,467 6.664,468 0.278,469 4.894,470 0.204,471 0.155,473 0.439,478 0.783,479 1.204,480 0.686,481 1.007,482 0.732,483 0.854,484 0.828,485 1.04,486 0.652,487 0.891,488 0.589,489 0.763,490 1.152,491 1.136,492 0.865,493 0.926,494 0.893,495 0.844,496 0.952,497 0.889,498 0.97,499 0.876,500 0.994,501 0.912,502 0.936,503 1.109,504 1.147,505 1.079,506 0.84,507 1.12,508 0.787,509 1.275,510 1.115,511 1.246,512 0.859,513 1.24,514 0.868,515 0.986,516 1.106,517 1.066,518 1.033,519 1.104,520 0.423,521 0.751,522 0.66,523 0.87,524 0.533,525 0.836,526 4.5,527 0.025,528 3.333,529 2.229,530 2.02,531 0.917,532 0.485,533 0.515,534 0.25,535 0.098,536 5754,537 16763,538 2.11,539 38.5,541 5,542 1,543 1,544 2,546 6,549 1.675,550 1.946,551 3.024,552 0.337,553 1,554 1,556 1,558 64.431,559 1.652,560 4.057,561 4.663,562 4.785,563 4.785,564 4.785,565 2.418,566 4.502,567 4.56,568 3.149,569 869.246,570 7.901,571 9773.04,572 1,573 1,575 1,576 206.131,577 1.483,578 4.504,579 0.167,580 0.008,581 0.083,582 0.052,583 0.05,584 0.028,585 0.016,586 0.021,587 0.012,588 0.008,589 0.444,590 0.5,591 1,592 0.813,593 110.828,594 -0.034,595 -0.058,596 0.05,597 -0.028,598 -0.117,599 0.019,600 0.035,601 0.041,602 0.191,603 0.081,604 0.073,605 0.149,606 -0.157,607 -0.078,608 0.031,609 0.022,610 -0.026,611 0.061,612 0.052,613 0.153,614 -0.03,615 0.061,616 0.015,617 0.008,618 -0.195,619 -0.058,620 -0.249,621 -0.127,622 -0.103,623 -0.175,625 -0.242,626 -0.218,627 -0.285,628 -0.017,629 -0.295,630 0.004,631 -0.03,632 -0.082,633 -0.11,634 -0.142,635 -0.102,636 0.544,637 0.065,638 0.482,639 0.155,640 0.48,641 0.275,642 1.769,643 5.071,644 0.792,645 16.743,646 1.015,647 1.128,648 2.727,649 7.437,650 0.686,651 3.332,652 3.714,653 4.06,654 4.394,655 4.673,656 4.804,657 4.927,658 5.094,659 5.198,660 5.215,661 5.064,662 0.671,663 321.37,664 3.332,665 4.905,666 5.796,667 6.713,668 7.625,669 8.548,670 9.467,671 10.393,672 11.315,673 12.242,674 12.8,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,702 1,708 1,714 1,716 39,718 18,719 1,720 27,722 42,723 17,724 11,725 3,726 3,727 3,728 4,729 6,732 2,738 1,740 14,741 3,744 2,749 1,751 2,753 1,756 1,757 1,760 15,761 6,762 2,763 7,769 5,775 0.5,776 2,785 1,788 1,793 1,794 3,797 1,798 1,811 1,819 2,823 2,827 24,828 1,835 1,837 1,850 5.1,853 1,855 1,858 12.333,859 7.8,860 5.139,861 2.343,863 3.667,864 1.483,865 1.016,866 3.358,867 11.252,868 3.638,869 4.314,870 5.016,871 5.692,872 6.285,873 6.713,874 7.179,875 7.664,876 8.021,877 8.362,878 1,879 43,880 8.832,881 3.862,882 7.84,883 16.571,884 13.762,885 2.34,886 56.167,890 153.024,891 101.829,892 84.908,894 36.145,897 101.829,898 189.169,899 84.908,900 17.65,901 11.534,902 70.802,903 93.999,904 38.339,905 14.099,906 129.482,908 153.024,909 186.737,910 36.145,913 82.398,914 106.771,917 32.518,918 94.509,919 59.71,921 153.024,922 121.053,923 101.829,926 153.024,927 26.121,928 77.485,930 119.276,931 153.024,932 121.053,933 101.829,935 0.596,936 0.363,937 0.206,938 0.118,939 22,940 10,941 0.048,942 2,943 2,944 1.211,945 3.47,946 213.151,947 0.211,948 19,949 108.039,954 14.851,955 5.427,956 2.308,957 1.36,958 119.276,959 6.799,960 13.055,964 2.816,965 1.806,966 32.897,967 375.906,968 37,973 12.071,975 2.785,977 -0.102,980 39.582,981 43.986,983 0.313,984 0.768,985 0.882,986 0.905,987 0.905,988 0.905,989 4.898,990 1.38,991 5.814,992 4.276,993 4.394,994 5.001,995 0.908,996 6.706,997 4.323,998 6.146,999 1.066,1000 7.425,1001 3.394,1002 4.111,1003 4.945,1005 7.763,1006 4.032,1007 7.487,1008 0.909,1009 9.137,1010 2.754,1011 6.061,1012 7.316,1013 0.739,1014 10.919,1015 5.933,1016 8.868,1017 0.788,1018 10.909,1019 2.17,1020 6.594,1021 8.119,1023 12.812,1024 6.459,1025 10.283,1026 -0.105,1027 12.718,1028 1.976,1029 8.048,1030 9.972,1031 0.593,1032 15.499,1033 7.871,1034 11.724,1035 -0.299,1036 14.553,1037 -0.25,1038 8.945,1039 11.177,1041 17.732,1042 8.751,1043 13.186,1044 -0.533,1045 16.407,1046 -0.696,1047 10.217,1048 12.829,1049 0.469,1050 20.266,1051 9.986,1052 3.341,1053 -0.762,1054 18.275,1055 -1.325,1056 11.275,1057 14.22,1059 22.641,1060 11.02,1061 3.028,1062 12.091,1063 20.155,1064 -2,1065 12.482,1066 15.797,1067 0.366,1068 25.13,1069 12.194,1070 2.573,1071 10.093,1072 22.043,1073 4.732,1074 13.611,1075 17.271,1077 27.564,1078 13.294,1079 2.396,1080 8.697,1081 23.939,1082 4.042,1083 14.799,1084 18.823,1085 0.283,1086 30.043,1087 14.448,1088 1.989,1089 7.501,1090 25.842,1091 3.27,1092 15.959,1093 20.335,1095 32.504,1096 15.577,1097 1.744,1098 5.698,1099 27.749,1100 3.174,1101 17.144,1102 21.879,1103 0.217,1104 34.983,1105 16.728,1106 1.581,1107 4.819,1108 29.662,1109 2.656,1110 18.32,1111 23.41,1113 37.457,1114 17.871,1115 5511,1116 9547,1117 17.918,1118 26.745,1119 42.341,1120 43.239,1121 43.791,1122 41.579,1123 41.588,1124 56.108,1125 1.72,1126 126.937,1127 40.014,1128 5.569,1129 5.564,1130 6.585,1131 5.388,1132 5.341,1133 7.732,1134 1.72,1135 19.56,1136 5.228,1137 12.013,1138 1.568,1139 1.601,1140 1.622,1141 1.54,1142 1.54,1143 2.078,1144 0.064,1145 4.701,1146 1.482,1147 4.14,1148 4.184,1149 4.122,1150 4.01,1151 7.428,1152 4.031,1153 3.922,1154 3.939,1155 3.889,1156 3.797,1157 5.256,1158 3.819,1159 3.578,1160 3.655,1161 3.445,1162 3.415,1163 4.907,1164 3.408,1165 3.48,1166 3.509,1167 3.413,1168 3.347,1169 4.823,1170 3.357,1171 3.166,1172 3.252,1173 3.069,1174 2.942,1175 4.529,1176 2.969,1177 3,1178 3.103,1179 2.896,1180 2.775,1181 4.337,1182 2.786,1183 2.95,1184 3.009,1185 2.857,1186 2.683,1187 4.049,1188 2.72,1189 2.874,1190 2.978,1191 2.563,1192 2.618,1193 3.723,1194 2.57,1195 0.176,1196 0.132,1197 0.261,1198 0.159,1199 0.124,1200 4.762,1201 0.175,1202 3.564,1203 0.032,1204 7.04,1205 0.448,1206 4.306,1207 0.12,1208 3.341,1209 4.732,1210 0.86,1211 12.091,1212 3.228,1213 1.964,1214 1.952,1215 2.028,1216 2.058,1217 1.168,1218 2.046,1219 1.812,1220 1.769,1221 1.947,1222 2.01,1223 1.136,1224 1.986,1225 1.633,1226 1.575,1227 1.789,1228 1.836,1229 0.861,1230 1.831,1231 1.444,1232 1.409,1233 1.598,1234 1.606,1235 0.6,1236 1.605,1237 1.096,1238 1.034,1239 1.417,1240 1.372,1241 0.469,1242 1.348,1243 0.934,1244 0.858,1245 1.244,1246 1.239,1247 0.254,1248 1.308,1249 0.905,1250 0.804,1251 1.159,1252 1.199,1253 0.165,1254 1.188,1255 0.837,1256 0.757,1257 1.064,1258 1.107,1259 0.034,1260 1.094,1261 4.007,1263 5.371,1264 2.398,1265 6.94,1266 4.844,1267 8.606,1268 7.081,1269 10.321,1271 4.035,1275 6.066,1279 5.363,1281 0.112,1289 26.171,1290 64.431,1291 158.215,1292 181.866,1293 186.621,1294 186.621,1295 186.621,1296 36.993,1297 7.586,1298 99.83,1299 99.83,1300 23,1301 12.747,1302 4.248,1303 3.459,1304 33.621,1305 72,1306 66,1307 0.233,1308 159.884,1309 269.34,1310 381.877,1311 18886,1313 16.845,1314 0.702,1315 0.551,1316 16.845,1317 13.224,1318 11.559,1319 0.428,1320 0.28,1321 7.444,1322 11.034,1323 7.236,1324 6.018,1325 11.559,1326 7.566,1327 10.862,1328 0.272,1329 0.146,1330 10.862,1331 5.84,1332 9.453,1333 0.166,1334 0.069,1335 9.453,1336 3.94,1337 8.303,1338 0.104,1339 0.035,1340 8.303,1341 2.789,1342 6.997,1343 0.066,1344 0.018,1345 6.997,1346 1.946,1347 0.35,1348 72.98,1349 0.236,1350 22.675,1351 0.692,1352 134,1353 413.364,1354 149.083,1355 399.615,1356 557.95,1357 374,1358 164,1359 431.293,1360 180.278,1361 432.979,1362 640.61,1363 408,1364 5.066}
{0 CHEMBL1242119,1 1.617,2 8.731,3 2.66,4 7.076,5 99.114,6 8.079,7 0.533,8 3.91,9 4.023,10 3.56,11 3.464,12 5.054,13 3.47,14 4.451,15 4.602,16 3.96,17 3.891,18 5.553,19 3.88,20 4.714,21 4.92,22 4.015,23 3.979,24 5.78,25 3.95,26 4.693,27 4.907,28 4,29 3.935,30 5.863,31 3.912,32 4.592,33 4.789,34 3.87,35 3.922,36 5.665,37 3.878,38 4.58,39 4.77,40 3.842,41 3.898,42 5.698,43 3.844,44 4.639,45 4.86,46 3.769,47 3.85,48 5.691,49 3.776,50 4.599,51 4.859,52 3.556,53 3.678,54 5.721,55 3.568,56 0.079,57 0.69,58 7.583,59 3.623,60 9.526,61 4.377,62 0.203,63 1.137,64 14.846,65 6.422,66 20.818,67 8.043,68 0.324,69 1.376,70 22.768,71 8.133,72 34.921,73 10.812,74 0.565,75 1.372,76 22.934,77 7.391,78 54.117,79 9.818,80 0.29,81 1.283,82 18.784,83 6.595,84 31.022,85 8.697,86 0.328,87 1.245,88 18.392,89 6.819,90 38.797,91 9.033,92 0.347,93 1.248,94 21.336,95 7.586,96 35.215,97 10.432,98 0.549,99 1.087,100 23.313,101 7.75,102 68.854,103 11.168,104 5,105 44,106 0.277,107 0.68,108 0.792,109 0.843,110 0.843,111 0.843,112 3.306,113 0.873,114 -4.43,115 -4.36,116 -4.11,118 44.2,120 4,126 1,132 1,134 1,138 3,139 3,140 1,142 1,143 1,144 1,152 1,156 1,158 1,159 1,160 1,161 1,167 7,170 2,171 12,172 1,173 1,175 1,178 9,180 1,181 1,182 10,188 5,191 3,192 13,194 3,195 3,197 1,199 6,201 1,204 9,208 2,211 5,213 2,214 2,215 9,220 4,223 7,225 4,227 2,228 3,233 2,235 8,237 2,239 4,240 2,242 2,243 2,245 1,247 4,249 1,252 4,260 2,264 952,265 17.999,266 17.999,267 17.999,268 17.999,269 17.999,270 15.894,271 16.169,272 10.44,273 18.343,274 14.825,275 14.825,276 14.825,277 14.825,278 14.825,279 11.469,280 15.123,281 4.937,282 15.372,283 3.809,284 1.46,285 0.808,286 0.512,287 0.512,288 0.512,289 4.019,292 1,293 1,294 1,295 513,296 2.236,299 100.2,300 171.946,303 88.484,304 95.519,307 1.234,308 27.342,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 56.5,320 227,321 4.765,322 3.565,323 7.051,324 4.315,325 3.35,326 4.734,327 0.86,328 12.15,329 3.235,330 4.396,331 3.381,332 6.49,333 4.019,334 3.031,335 4.042,337 10.109,338 2.993,339 3.909,340 2.863,341 6.225,342 3.66,343 2.69,344 3.285,346 9.156,347 2.607,348 3.777,349 2.769,350 5.774,351 3.386,352 2.412,353 3.189,355 7.702,356 2.353,357 3.396,358 2.466,359 5.079,360 2.983,361 2.003,362 2.656,364 5.7,365 1.949,366 3.238,367 2.043,368 5.036,369 2.945,370 1.981,371 2.365,373 5.688,374 1.896,375 3.034,376 1.817,377 4.5,378 2.508,379 1.581,380 2.245,382 4.287,383 1.457,384 2.898,385 1.486,386 4.235,387 2.341,388 1.391,389 1.956,391 3.533,392 1.316,393 2.638,394 1.4,395 4.039,396 2.301,397 1.337,398 1.683,400 3.393,401 1.285,402 2.474,403 1.292,404 3.662,405 1.996,406 1.045,407 1.447,409 2.57,410 0.989,411 2.4,412 1.052,413 3.362,414 1.862,415 0.884,416 1.256,417 2.101,418 0.856,419 1.857,420 0.712,421 3.248,422 1.653,423 0.675,424 0.781,425 1.729,426 0.659,427 1.618,428 0.618,429 3,430 1.618,431 0.618,432 0.618,433 1.372,434 0.618,435 1.417,436 0.552,437 2.72,438 0.892,439 -0.105,440 -0.151,441 -0.25,442 -0.102,443 1.059,444 -0.126,445 2.463,446 0.62,447 -0.297,448 -0.385,449 -0.694,450 -0.272,451 12.167,452 0.468,453 0.624,454 0.024,455 35.75,456 1.375,457 18,458 0.692,459 17.75,460 0.683,461 20.125,462 0.774,463 26.833,464 0.624,465 25.573,466 0.984,467 6.639,468 0.255,469 6.081,470 0.234,471 0.06,473 0.403,478 0.761,479 1.162,480 0.691,481 0.984,482 0.66,483 0.848,484 0.783,485 1.098,486 0.774,487 1.025,488 0.549,489 0.922,490 0.986,491 1.151,492 0.843,493 0.986,494 0.758,495 0.903,496 0.987,497 0.843,498 0.886,499 0.752,500 0.961,501 0.781,502 1.004,503 1.104,504 1.108,505 1,506 0.882,507 1.034,508 0.85,509 1.176,510 1.119,511 1.136,512 0.905,513 1.156,514 0.795,515 1.156,516 1.058,517 1.169,518 0.938,519 1.153,520 0.591,521 0.825,522 0.943,523 0.987,524 0.699,525 1.022,526 4,527 0.035,528 3.333,529 2.007,530 1.86,531 0.886,532 0.47,533 0.527,534 0.225,535 0.12,536 7712,537 20203,538 2.216,539 39.5,540 4,541 5,542 1,543 1,544 2,546 4,549 1.697,550 2.108,551 3.125,552 0.289,553 1,554 1,558 69.522,559 1.617,560 3.966,561 4.618,562 4.915,563 4.915,564 4.915,565 2.493,566 4.393,567 4.674,568 3.248,569 1055.67,570 8.133,571 12541.5,573 1,575 1,576 233.329,577 1.296,578 4.648,579 0.133,580 0.004,581 0.076,582 0.045,583 0.042,584 0.023,585 0.013,586 0.016,587 0.009,588 0.007,589 0.367,590 0.33,591 0.88,592 0.465,593 123.689,594 -0.019,595 -0.022,596 0.059,597 0.001,598 -0.037,599 0.037,600 0.037,601 -0.021,602 0.06,603 -0.042,604 0.084,605 -0.001,606 -0.051,607 -0.154,608 0.115,609 -0.016,610 0.063,611 0.063,612 0.067,613 0.202,614 0.093,615 0.174,616 0.054,617 0.145,618 -0.218,619 -0.016,620 -0.216,621 -0.065,622 -0.123,623 -0.116,624 -0.045,625 -0.113,626 -0.227,627 -0.185,628 -0.067,629 -0.227,630 0.036,631 -0.166,632 -0.094,633 -0.202,634 -0.085,635 -0.173,636 0.351,637 0.075,638 0.125,639 0.002,640 0.293,641 0.02,642 1.753,643 5.172,644 0.923,645 19.769,646 1.011,647 1.126,648 3.197,649 10.22,650 0.686,651 3.434,652 3.807,653 4.174,654 4.522,655 4.779,656 4.956,657 5.147,658 5.342,659 5.468,660 5.505,661 5.366,662 0.667,663 347.41,664 3.434,665 5.004,666 5.9,667 6.815,668 7.729,669 8.652,670 9.573,671 10.5,672 11.425,673 12.354,674 11.6,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,702 1,708 1,714 1,716 43,718 18,719 1,720 30,722 47,723 19,724 11,725 3,726 3,727 3,728 5,729 7,735 5,738 5,740 14,741 5,744 2,749 1,751 2,753 1,756 1,757 1,760 17,761 6,762 2,763 7,769 5,775 0.6,776 2,785 1,788 1,793 2,794 3,797 1,798 1,811 1,819 3,827 26,828 1,833 4,835 1,837 1,850 4.7,853 1,855 1,858 12.333,859 7.8,860 5.556,861 2.759,863 3.629,864 1.456,865 1.048,866 3.539,867 11.578,868 3.714,869 4.366,870 5.062,871 5.735,872 6.324,873 6.773,874 7.268,875 7.763,876 8.135,877 8.484,878 0.833,879 45,880 9.62,881 4.299,882 7.737,883 18.423,884 15.951,885 2.237,886 58.167,889 1,890 176.567,891 94.317,892 84.908,894 36.145,897 94.317,898 212.711,899 84.908,901 21.672,902 70.802,903 93.999,904 38.339,905 14.099,906 153.024,908 176.567,909 179.225,910 36.145,913 129.482,914 83.229,917 25.005,918 94.509,919 59.71,921 176.567,922 121.053,923 94.317,926 176.567,927 36.259,928 59.834,930 119.276,931 176.567,932 121.053,933 94.317,935 0.59,936 0.363,937 0.21,938 0.113,939 25,940 10,941 0.043,942 2,943 2,944 1.167,945 3.745,946 244.259,947 0.167,948 24,949 118.211,954 15.534,955 5.924,956 2.447,957 1.485,958 119.276,959 6.947,960 13.429,964 2.97,965 1.98,966 32.897,967 391.936,968 40,973 12.172,975 2.819,977 -0.086,980 43.465,981 48.402,983 0.298,984 0.731,985 0.851,986 0.906,987 0.906,988 0.906,989 4.977,990 1.391,991 5.9,992 4.287,993 4.489,994 5.053,995 0.908,996 6.783,997 4.424,998 6.203,999 1.337,1000 7.498,1001 3.533,1002 4.111,1003 4.945,1005 7.813,1006 4.032,1007 7.534,1008 1.045,1009 9.201,1010 3.393,1011 6.142,1012 7.34,1013 0.739,1014 10.984,1015 6.022,1016 8.908,1017 0.884,1018 10.966,1019 2.57,1020 6.635,1021 8.128,1023 12.874,1024 6.502,1025 10.319,1026 0.675,1027 12.771,1028 2.101,1029 8.116,1030 9.983,1031 0.593,1032 15.562,1033 7.944,1034 11.756,1035 0.618,1036 14.604,1037 1.729,1038 8.995,1039 11.183,1041 17.794,1042 8.804,1043 13.215,1044 -0.105,1045 16.456,1046 1.372,1047 10.276,1048 12.835,1049 0.469,1050 20.33,1051 10.049,1052 3.35,1053 -0.297,1054 18.324,1055 -0.25,1056 11.326,1057 14.224,1059 22.704,1060 11.072,1061 3.031,1062 12.15,1063 20.203,1064 -0.694,1065 12.536,1066 15.801,1067 0.366,1068 25.195,1069 12.248,1070 2.69,1071 10.109,1072 22.091,1073 4.734,1074 13.662,1075 17.275,1077 27.63,1078 13.343,1079 2.412,1080 9.156,1081 23.987,1082 4.042,1083 14.85,1084 18.826,1085 0.283,1086 30.111,1087 14.498,1088 2.003,1089 7.702,1090 25.889,1091 3.285,1092 16.01,1093 20.338,1095 32.575,1096 15.624,1097 1.981,1098 5.7,1099 27.797,1100 3.189,1101 17.195,1102 21.883,1103 0.217,1104 35.057,1105 16.774,1106 1.581,1107 5.688,1108 29.709,1109 2.656,1110 18.371,1111 23.413,1113 37.534,1114 17.916,1115 7087,1116 11641,1117 20.69,1118 29.506,1119 46.302,1120 47.437,1121 47.137,1122 46.038,1123 45.996,1124 60.514,1125 1.72,1126 138.98,1127 44.427,1128 5.667,1129 5.565,1130 6.647,1131 5.397,1132 5.35,1133 7.734,1134 1.72,1135 19.691,1136 5.235,1137 8.913,1138 1.543,1139 1.581,1140 1.571,1141 1.535,1142 1.533,1143 2.017,1144 0.057,1145 4.633,1146 1.481,1147 4.151,1148 4.196,1149 4.13,1150 4.019,1151 7.428,1152 4.039,1153 3.931,1154 3.949,1155 3.893,1156 3.819,1157 5.256,1158 3.832,1159 3.79,1160 3.845,1161 3.667,1162 3.67,1163 4.906,1164 3.664,1165 3.48,1166 3.511,1167 3.415,1168 3.352,1169 4.822,1170 3.362,1171 3.259,1172 3.348,1173 3.185,1174 2.988,1175 4.528,1176 3.028,1177 3.017,1178 3.105,1179 2.933,1180 2.813,1181 4.34,1182 2.829,1183 2.951,1184 2.987,1185 2.861,1186 2.751,1187 4.15,1188 2.763,1189 2.869,1190 2.979,1191 2.634,1192 2.671,1193 3.734,1194 2.635,1195 0.159,1196 0.119,1197 0.235,1198 0.144,1199 0.112,1200 4.765,1201 0.158,1202 3.565,1203 0.029,1204 7.051,1205 0.405,1206 4.315,1207 0.108,1208 3.35,1209 4.734,1210 0.86,1211 12.15,1212 3.235,1213 1.964,1214 1.952,1215 2.028,1216 2.058,1217 1.244,1218 2.046,1219 1.806,1220 1.766,1221 1.894,1222 1.999,1223 1.211,1224 1.968,1225 1.611,1226 1.56,1227 1.86,1228 1.808,1229 1.159,1230 1.796,1231 1.577,1232 1.507,1233 1.766,1234 1.751,1235 0.871,1236 1.793,1237 1.44,1238 1.405,1239 1.596,1240 1.598,1241 0.602,1242 1.599,1243 1.092,1244 1.032,1245 1.239,1246 1.354,1247 0.272,1248 1.334,1249 0.905,1250 0.858,1251 1.159,1252 1.198,1253 0.174,1254 1.187,1255 0.837,1256 0.759,1257 1.064,1258 1.105,1259 0.094,1260 1.092,1261 4.111,1263 5.468,1264 3.045,1265 7.029,1266 5.352,1267 8.687,1268 7.455,1269 10.396,1275 6.164,1277 4.556,1279 5.406,1281 0.325,1289 28.697,1290 69.522,1291 170.535,1292 198.574,1293 211.329,1294 211.329,1295 211.329,1296 38.637,1297 7.95,1298 99.83,1299 99.83,1300 28,1301 12.858,1302 4.248,1303 3.459,1304 33.652,1305 82,1306 78,1307 0.201,1308 171.675,1309 291.58,1310 410.648,1311 29804,1313 17.673,1314 0.68,1315 0.54,1316 17.673,1317 14.053,1318 12.72,1319 0.424,1320 0.291,1321 8.606,1322 12.205,1323 8.491,1324 6.974,1325 12.72,1326 8.728,1327 11.663,1328 0.265,1329 0.152,1330 11.663,1331 6.685,1332 10.602,1333 0.166,1334 0.08,1335 10.602,1336 5.122,1337 9.464,1338 0.104,1339 0.042,1340 9.464,1341 3.832,1342 7.626,1343 0.065,1344 0.02,1345 7.626,1346 2.337,1347 0.303,1348 79.95,1349 0.22,1350 24.386,1351 0.592,1352 148,1353 427.364,1354 163.083,1355 413.135,1356 580.11,1357 388,1358 182,1359 449.293,1360 198.611,1361 450.25,1362 669.49,1363 426,1364 4.745}
{0 CHEMBL1242198,1 1.752,2 6.619,3 2.364,4 5.589,5 78.474,6 8.209,7 0.696,8 3.694,9 3.82,10 3.326,11 3.178,12 4.954,13 3.198,14 4.172,15 4.345,16 3.726,17 3.549,18 5.426,19 3.565,20 4.39,21 4.581,22 3.785,23 3.651,24 5.63,25 3.661,26 4.466,27 4.689,28 3.816,29 3.661,30 5.8,31 3.653,32 4.387,33 4.589,34 3.643,35 3.619,36 5.64,37 3.59,38 4.335,39 4.529,40 3.606,41 3.559,42 5.596,43 3.524,44 4.427,45 4.688,46 3.365,47 3.414,48 5.79,49 3.312,50 4.215,51 4.527,52 2.763,53 2.977,54 5.38,55 2.843,56 0.131,57 0.635,58 6.202,59 2.778,60 13.756,61 3.37,62 0.238,63 0.978,64 11.571,65 4.542,66 22.167,67 5.897,68 0.4,69 1.142,70 15.66,71 5.058,72 41.403,73 6.505,74 0.547,75 1.145,76 18.147,77 5.615,78 64.921,79 7.827,80 0.476,81 1.094,82 15.779,83 4.988,84 51.305,85 6.587,86 0.354,87 1.042,88 14.283,89 5.079,90 30.748,91 6.84,92 0.639,93 0.964,94 19.424,95 5.591,96 82.792,97 8.292,98 0.494,99 0.675,100 19.235,101 5.325,102 66.289,103 7.265,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.842,114 -4.52,115 -4.44,116 -4.18,118 40,119 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 2,170 2,171 7,172 1,173 1,175 3,178 5,180 1,181 1,182 5,186 1,188 3,191 2,192 6,194 3,195 3,197 2,199 2,201 1,204 5,206 1,208 3,211 3,213 2,215 3,218 1,220 2,223 4,225 2,228 2,231 2,232 1,233 1,234 1,237 1,245 2,247 2,264 527,265 13.723,266 13.723,267 13.723,268 13.723,269 13.723,270 11.815,271 13.271,272 7.865,273 14.088,274 11.35,275 11.35,276 11.35,277 11.35,278 11.35,279 8.404,280 10.203,281 3.721,282 11.963,283 3.378,284 1.097,285 0.693,286 0.557,287 0.557,288 0.557,289 3.777,292 1,293 1,294 1,295 292,296 2.646,299 38.993,300 106.475,303 74.812,307 1.007,308 29.311,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47,320 139,321 4.76,322 3.381,323 7.04,324 4.302,325 3.339,326 4.732,328 12.09,329 3.218,330 4.17,331 3.026,332 6.169,333 3.743,334 2.779,335 3.829,337 8.966,338 2.672,339 3.801,340 2.665,341 5.816,342 3.459,343 2.509,344 3.205,346 7.831,347 2.381,348 3.564,349 2.439,350 5.249,351 3.143,352 2.197,353 2.946,355 6.461,356 2.069,357 3.232,358 2.291,359 4.818,360 2.801,361 1.879,362 2.481,364 4.963,365 1.712,366 3.024,367 1.818,368 4.618,369 2.681,370 1.741,371 2.172,373 4.817,374 1.634,375 2.918,376 1.472,377 4.36,378 2.383,379 1.443,380 2.094,382 3.878,383 1.351,384 2.483,385 1.038,386 3.854,387 1.98,388 1.027,389 1.476,391 2.729,392 0.976,393 2.113,394 0.83,395 3.483,396 1.745,397 0.787,398 1.011,400 2.008,401 0.752,402 1.063,403 0.198,404 2.711,405 0.634,406 -0.284,407 -0.362,409 -0.669,410 -0.26,411 1,412 -0.057,413 2.426,414 0.575,415 -0.347,416 -0.445,417 -0.891,418 -0.311,419 0.925,420 -0.152,421 2.382,422 0.484,423 -0.449,424 -0.573,425 -1.16,426 -0.405,427 0.643,428 -0.631,429 2.256,430 0.168,431 -0.741,432 -0.947,433 -2,434 -0.672,435 0.287,436 -0.822,437 2.13,439 -0.949,440 -1,441 -2.053,442 -0.865,443 0.041,444 -1,445 1.806,446 -0.042,447 -1,448 -1.173,449 -2.7,450 -1,451 9.619,452 0.458,453 0.703,454 0.033,455 29,456 1.381,457 15,458 0.714,459 14,460 0.667,461 15.158,462 0.722,463 22.781,464 0.651,465 20.788,466 0.99,467 5.661,468 0.27,469 4.308,470 0.205,471 0.21,473 0.457,477 1,478 0.778,479 1.115,480 0.718,481 0.996,482 0.793,483 0.871,484 0.655,485 1.063,486 0.599,487 0.947,488 0.525,489 0.793,490 1.132,491 1.181,492 0.953,493 0.976,494 1.018,495 0.916,496 0.657,497 0.891,498 0.765,499 0.868,500 0.549,501 0.837,502 1.049,503 1.022,504 1.191,505 1.05,506 0.92,507 1.121,508 0.806,509 1.209,510 1.091,511 1.351,512 0.874,513 1.307,514 0.682,515 0.813,516 1.109,517 1.14,518 0.774,519 1.224,520 1.377,521 0.927,522 1.042,523 0.892,524 1.465,525 0.895,526 5,528 2.444,529 2.292,530 1.807,531 0.716,532 0.656,533 0.313,534 0.082,536 3598,537 11771,538 2.018,539 40,541 4,543 1,544 3,546 6,549 1.641,550 1.826,551 2.788,552 1.156,554 1,556 1,558 61.309,559 1.752,560 4.032,561 4.436,562 4.572,563 4.572,564 4.572,565 2.136,566 4.011,567 4.366,568 2.91,569 611.075,570 7.529,571 6331.53,572 1,573 1,575 1,576 179.525,577 1.545,578 4.289,579 0.217,581 0.072,582 0.065,583 0.052,584 0.025,585 0.024,586 0.017,587 0.009,589 0.482,590 0.5,591 1,592 0.911,593 91.653,594 -0.086,595 -0.056,596 0.01,597 0.034,598 -0.149,599 0.044,600 0.05,601 -0.058,602 0.22,603 0.055,604 0.095,605 0.155,606 -0.195,607 -0.137,608 -0.065,609 -0.016,610 -0.144,611 -0.002,612 0.162,613 0.039,614 0.166,615 0.063,616 0.192,617 0.107,618 -0.14,619 0.02,620 -0.301,621 -0.101,622 -0.073,623 -0.209,624 0.001,625 -0.225,626 -0.222,627 -0.378,628 -0.08,629 -0.366,630 0.258,631 0.064,632 -0.078,633 -0.203,634 0.19,635 -0.233,636 -0.102,637 -0.063,638 0.18,639 0.109,640 -0.05,641 0.202,642 2.215,643 5.523,644 0.714,645 13.234,646 1.022,647 1.146,648 3.287,649 10.808,650 0.664,651 3.178,652 3.555,653 3.85,654 4.205,655 4.443,656 4.575,657 4.635,658 4.7,659 4.605,660 4.522,661 4.466,662 0.653,663 287.33,664 3.178,665 4.745,666 5.617,667 6.535,668 7.434,669 8.36,670 9.27,671 10.198,672 11.114,673 12.043,674 14.3,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 35,718 16,719 1,720 23,722 37,723 14,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,758 1,760 14,761 6,762 3,763 7,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,825 1,827 21,828 1,832 1,837 1,849 1,850 2.9,852 1,858 11.5,859 6.893,860 4.5,861 2.026,863 3.148,864 1.459,865 0.968,866 3.26,867 10.011,868 3.466,869 4.171,870 4.847,871 5.549,872 6.123,873 6.533,874 6.949,875 7.382,876 7.603,877 7.88,878 1,879 35,880 7.743,881 3.383,882 8.071,883 14.232,884 11.615,885 2.571,886 54,890 129.482,891 76.377,892 84.908,894 42.683,895 14.96,897 76.377,898 172.165,899 99.868,900 17.65,902 61.326,903 106.404,904 28.031,905 17.288,906 117.711,908 129.482,909 161.285,910 57.643,913 73.816,914 113.31,917 32.518,918 78.533,919 50.234,921 144.442,922 127.591,923 76.377,926 129.482,927 21.68,928 56.474,930 140.775,931 129.482,932 142.551,933 76.377,935 0.596,936 0.347,937 0.203,938 0.117,939 18,940 9,941 0.054,942 2,943 1,944 1.133,945 3.135,946 171.304,947 0.133,948 15,949 90.239,954 13.773,955 4.971,956 2.318,957 1.132,958 140.775,959 5.122,960 12.634,964 0.427,965 1.699,966 75.581,967 348.411,968 31,980 35.767,981 40.117,983 0.342,984 0.786,985 0.865,986 0.891,987 0.891,988 0.891,989 4.718,990 1.027,991 5.645,992 3.878,993 4.234,994 4.856,996 6.526,997 4.135,998 5.979,999 0.787,1000 7.249,1001 2.729,1002 4.007,1003 4.856,1005 7.561,1006 3.858,1007 7.323,1008 -0.284,1009 8.952,1010 2.008,1011 5.889,1012 7.194,1014 10.716,1015 5.712,1016 8.705,1017 -0.347,1018 10.713,1019 -0.669,1020 6.431,1021 8.006,1023 12.6,1024 6.213,1025 10.119,1026 -0.449,1027 12.512,1028 -0.891,1029 7.859,1030 9.862,1032 15.303,1033 7.613,1034 11.559,1035 -0.741,1036 14.339,1037 -1.16,1038 8.757,1039 11.069,1041 17.549,1042 8.474,1043 13.019,1044 -0.949,1045 16.187,1046 -2,1047 10.019,1048 12.731,1050 20.102,1051 9.707,1052 3.339,1053 -1,1054 18.053,1055 -2.053,1056 11.081,1057 14.126,1059 22.495,1060 10.732,1061 2.779,1062 12.09,1063 19.932,1064 -2.7,1065 12.287,1066 15.712,1068 25.002,1069 11.907,1070 2.509,1071 8.966,1072 21.823,1073 4.732,1074 13.422,1075 17.192,1077 27.454,1078 13.006,1079 2.197,1080 7.831,1081 23.724,1082 3.829,1083 14.614,1084 18.751,1086 29.947,1087 14.164,1088 1.879,1089 6.461,1090 25.632,1091 3.205,1092 15.783,1093 20.27,1095 32.422,1096 15.296,1097 1.741,1098 4.963,1099 27.546,1100 2.946,1101 16.974,1102 21.821,1104 34.913,1105 16.453,1106 1.443,1107 4.817,1108 29.467,1109 2.481,1110 18.158,1111 23.358,1113 37.398,1114 17.601,1115 3628,1116 6680,1117 14.74,1118 23.228,1119 35.871,1120 35.558,1121 37.595,1122 35.494,1123 35.403,1124 47.89,1126 107.484,1127 33.531,1128 5.43,1129 5.381,1130 6.567,1131 5.375,1132 5.339,1133 7.732,1135 19.563,1136 5.218,1137 12.187,1138 1.56,1139 1.546,1140 1.635,1141 1.543,1142 1.539,1143 2.082,1145 4.673,1146 1.458,1147 4.132,1148 4.179,1149 4.116,1150 3.992,1151 8.201,1152 4.016,1153 3.844,1154 3.871,1155 3.806,1156 3.729,1157 6.47,1158 3.744,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 5.254,1164 3.399,1165 3.208,1166 3.289,1167 3.126,1168 2.984,1169 4.869,1170 3.015,1171 3.004,1172 3.113,1173 2.905,1174 2.743,1175 4.558,1176 2.767,1177 2.966,1178 3.009,1179 2.884,1180 2.693,1181 4.37,1182 2.732,1183 2.874,1184 2.996,1185 2.662,1186 2.618,1187 4.049,1188 2.594,1189 2.775,1190 2.844,1191 2.499,1192 2.586,1193 3.688,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.76,1201 0.206,1202 3.381,1204 7.04,1205 0.526,1206 4.302,1207 0.14,1208 3.339,1209 4.732,1211 12.09,1212 3.218,1213 1.922,1214 1.903,1215 1.984,1216 2.038,1217 1.152,1218 2.017,1219 1.793,1220 1.745,1221 1.943,1222 1.982,1223 1.097,1224 1.968,1225 1.609,1226 1.545,1227 1.767,1228 1.81,1229 0.822,1230 1.808,1231 1.143,1232 1.085,1233 1.417,1234 1.408,1235 0.469,1236 1.377,1237 0.934,1238 0.824,1239 1.264,1240 1.239,1241 0.272,1242 1.308,1243 0.879,1244 0.804,1245 1.156,1246 1.23,1247 0.078,1248 1.215,1249 0.855,1250 0.781,1251 1.066,1252 1.139,1253 0.04,1254 1.103,1255 0.761,1256 0.669,1257 0.99,1258 1.064,1260 1.053,1261 3.85,1263 5.209,1264 2.398,1265 6.76,1266 4.844,1267 8.407,1268 7.081,1269 10.106,1271 3.912,1273 13.523,1275 5.923,1276 9.575,1281 0.053,1289 22.839,1290 61.309,1291 141.119,1292 155.26,1293 160.015,1294 160.015,1295 160.015,1296 40.069,1297 6.863,1298 89.85,1299 89.85,1300 17,1301 12.548,1302 4.087,1303 3.17,1304 31.804,1305 55,1306 48,1307 0.294,1308 141.557,1309 232.36,1310 337.159,1311 7124,1312 2.9,1313 15.146,1314 0.721,1315 0.551,1316 14.276,1317 11.578,1318 9.969,1319 0.433,1320 0.281,1321 6.338,1322 9.455,1323 6.154,1324 5.133,1325 9.575,1326 6.457,1327 9.634,1328 0.283,1329 0.148,1330 8.989,1331 5.043,1332 7.614,1333 0.166,1334 0.069,1335 7.376,1336 3.163,1337 7,1338 0.106,1339 0.034,1340 6.511,1341 2.268,1342 5.497,1343 0.065,1344 0.018,1345 5.35,1346 1.509,1347 0.432,1348 63.401,1349 0.26,1350 19.994,1351 0.906,1352 114,1353 404.153,1354 129.371,1355 369.097,1356 500.53,1357 342,1358 137,1359 377.657,1360 152.201,1361 375.025,1362 550.57,1363 352,1364 6.6}
{0 CHEMBL1242199,1 1.706,2 7.217,3 3.04,4 9.242,5 85.72,6 8.035,7 0.615,8 3.809,9 3.932,10 3.434,11 3.324,12 4.992,13 3.333,14 4.337,15 4.503,16 3.836,17 3.745,18 5.499,19 3.734,20 4.615,21 4.838,22 3.855,23 3.814,24 5.705,25 3.781,26 4.583,27 4.822,28 3.909,29 3.759,30 5.84,31 3.749,32 4.488,33 4.683,34 3.801,35 3.762,36 5.707,37 3.741,38 4.484,39 4.675,40 3.77,41 3.758,42 5.663,43 3.72,44 4.56,45 4.793,46 3.639,47 3.675,48 5.866,49 3.589,50 4.48,51 4.767,52 3.073,53 3.385,54 5.546,55 3.244,56 0.117,57 0.705,58 7.216,59 3.292,60 14.963,61 4.037,62 0.212,63 1.138,64 13.598,65 5.774,66 23.42,67 7.467,68 0.411,69 1.326,70 21.532,71 7.036,72 49.995,73 9.653,74 0.579,75 1.272,76 21.564,77 6.288,78 67.048,79 9.027,80 0.471,81 1.249,82 17.538,83 5.495,84 51.55,85 7.273,86 0.368,87 1.231,88 16.925,89 5.994,90 34.203,91 8.042,92 0.584,93 1.208,94 20.765,95 6.869,96 82.639,97 9.82,98 0.52,99 0.957,100 22.7,101 6.735,102 75.925,103 9.078,104 10,105 38,106 0.302,107 0.694,108 0.779,109 0.837,110 0.837,111 0.837,112 3.191,113 0.879,114 -5.02,115 -4.92,116 -4.61,118 41,120 4,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 7,172 1,173 1,175 3,178 7,180 1,181 1,182 7,186 1,188 3,191 2,192 8,194 3,195 3,197 2,199 2,201 1,204 7,206 1,208 3,211 5,213 2,215 3,218 1,220 2,223 6,225 2,228 4,231 2,232 1,233 3,234 1,235 4,237 3,245 2,247 2,257 2,260 2,264 669,265 15.585,266 15.585,267 15.585,268 15.585,269 15.585,270 13.677,271 13.271,272 9.085,273 15.932,274 12.87,275 12.87,276 12.87,277 12.87,278 12.87,279 9.938,280 10.203,281 4.336,282 13.472,283 3.58,284 1.366,285 0.891,286 0.564,287 0.564,288 0.564,289 3.884,292 1,293 1,294 1,295 364,296 2.121,299 91.372,300 115.751,303 80.837,307 1.115,308 30.743,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51,320 166,321 4.764,322 3.393,323 7.051,324 4.311,325 3.348,326 4.733,328 12.149,329 3.226,330 4.174,331 3.034,332 6.258,333 3.774,334 2.808,335 3.829,337 9.321,338 2.708,339 3.865,340 2.768,341 5.872,342 3.582,343 2.619,344 3.234,346 8.135,347 2.52,348 3.564,349 2.44,350 5.257,351 3.143,352 2.197,353 2.946,355 6.479,356 2.069,357 3.238,358 2.291,359 5.073,360 2.945,361 1.991,362 2.481,364 5.687,365 1.895,366 3.232,367 2.033,368 4.618,369 2.801,370 1.879,371 2.365,373 4.963,374 1.712,375 2.928,376 1.487,377 4.36,378 2.392,379 1.455,380 2.127,382 3.896,383 1.358,384 2.635,385 1.397,386 4.233,387 2.301,388 1.338,389 1.677,391 3.526,392 1.285,393 2.398,394 1.011,395 3.65,396 1.929,397 0.983,398 1.362,400 2.51,401 0.927,402 1.853,403 0.695,404 3.248,405 1.646,406 0.67,407 0.776,409 1.725,410 0.653,411 1.618,412 0.618,413 3,414 1.618,415 0.618,416 0.618,417 1.372,418 0.618,419 1.063,420 0.198,421 2.711,422 0.636,423 -0.283,424 -0.359,425 -0.667,426 -0.259,427 1,428 -0.057,429 2.462,430 0.575,431 -0.347,432 -0.445,433 -0.891,434 -0.311,435 0.925,436 -0.15,437 2.382,438 0.485,439 -0.448,440 -0.572,441 -1.159,442 -0.405,443 0.648,444 -0.631,445 2.333,446 0.176,447 -0.736,448 -0.946,449 -2.036,450 -0.669,451 10.619,452 0.462,453 0.627,454 0.027,455 30.5,456 1.326,457 15,458 0.652,459 15.5,460 0.674,461 17.82,462 0.775,463 24.781,464 0.635,465 21.388,466 0.93,467 5.636,468 0.245,469 5.495,470 0.239,471 0.096,473 0.414,477 1,478 0.752,479 1.075,480 0.719,481 0.971,482 0.73,483 0.863,484 0.613,485 1.087,486 0.731,487 1.086,488 0.482,489 0.969,490 0.952,491 1.141,492 0.903,493 1.03,494 0.851,495 0.967,496 0.69,497 0.843,498 0.699,499 0.732,500 0.53,501 0.701,502 1.101,503 1.018,504 1.147,505 0.963,506 0.941,507 1.024,508 0.844,509 1.111,510 1.096,511 1.211,512 0.881,513 1.204,514 0.623,515 0.96,516 1.058,517 1.24,518 0.702,519 1.262,520 1.342,521 0.925,522 1.251,523 1.019,524 1.457,525 1.097,526 4.5,528 2.444,529 2.069,530 1.647,531 0.684,532 0.641,533 0.325,534 0.143,535 0.056,536 5080,537 14559,538 2.141,539 41,540 4,541 4,543 1,544 3,546 4,549 1.667,550 2,551 2.895,552 1.075,553 1,554 1,556 1,558 66.521,559 1.706,560 3.919,561 4.394,562 4.721,563 4.721,564 4.721,565 2.285,566 3.501,567 4.496,568 3.033,569 767.367,570 7.791,571 8429.8,572 1,573 1,574 1,575 1,576 206.131,577 1.422,578 4.454,579 0.173,581 0.064,582 0.056,583 0.042,584 0.02,585 0.019,586 0.012,587 0.011,588 0.009,589 0.407,590 0.33,591 1,592 0.58,593 104.07,594 -0.068,595 -0.013,596 0.023,597 0.062,598 -0.081,599 0.063,600 0.05,601 -0.078,602 0.077,603 -0.069,604 0.103,605 -0.011,606 -0.083,607 -0.191,608 0.041,609 -0.062,610 -0.044,611 0.003,612 0.167,613 0.078,614 0.269,615 0.18,616 0.209,617 0.24,618 -0.154,619 0.057,620 -0.257,621 -0.028,622 -0.078,623 -0.131,624 -0.033,625 -0.107,626 -0.228,627 -0.246,628 -0.102,629 -0.274,630 0.271,631 -0.027,632 -0.091,633 -0.271,634 0.221,635 -0.281,636 -0.179,637 -0.016,638 -0.139,639 -0.041,640 -0.186,641 -0.065,642 2.195,643 5.665,644 0.87,645 15.996,646 1.017,647 1.142,648 3.786,649 14.337,650 0.666,651 3.296,652 3.664,653 3.989,654 4.357,655 4.575,656 4.762,657 4.92,658 5.05,659 5.063,660 5.011,661 4.784,662 0.65,663 313.37,664 3.296,665 4.86,666 5.74,667 6.655,668 7.559,669 8.484,670 9.398,671 10.327,672 11.247,673 12.178,674 12.8,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 39,718 16,719 1,720 26,722 42,723 16,724 11,725 3,726 3,728 4,729 5,735 5,738 5,740 11,741 5,756 1,757 1,758 1,760 16,761 6,762 3,763 7,769 5,775 0.75,776 1,785 1,788 1,793 2,794 2,797 1,819 3,825 1,827 23,828 1,832 1,833 4,837 1,849 1,850 2.6,852 1,858 11.5,859 6.893,860 4.917,861 2.442,863 3.086,864 1.424,865 1.004,866 3.421,867 10.36,868 3.555,869 4.23,870 4.901,871 5.598,872 6.169,873 6.604,874 7.06,875 7.511,876 7.775,877 8.06,878 0.8,879 37,880 8.533,881 3.823,882 7.935,883 16.084,884 13.804,885 2.435,886 56,890 153.024,891 68.865,892 84.908,894 42.683,895 14.96,897 68.865,898 195.708,899 99.868,901 10.138,902 61.326,903 106.404,904 28.031,905 17.288,906 141.253,908 153.024,909 153.773,910 57.643,913 120.9,914 89.768,917 25.005,918 78.533,919 50.234,921 167.984,922 127.591,923 68.865,926 153.024,927 31.818,928 38.824,930 140.775,931 153.024,932 142.551,933 68.865,935 0.589,936 0.348,937 0.208,938 0.111,939 21,940 9,941 0.048,942 2,943 1,944 1.1,945 3.425,946 200.769,947 0.1,948 20,949 100.042,954 14.401,955 5.463,956 2.433,957 1.257,958 140.775,959 5.264,960 13.007,964 0.585,965 1.873,966 75.581,967 364.441,968 34,980 39.651,981 44.532,983 0.323,984 0.742,985 0.831,986 0.893,987 0.893,988 0.893,989 4.812,990 1.338,991 5.746,992 3.896,993 4.344,994 4.916,996 6.619,997 4.256,998 6.045,999 0.983,1000 7.336,1001 3.526,1002 4.007,1003 4.856,1005 7.621,1006 3.858,1007 7.378,1008 0.67,1009 9.028,1010 2.51,1011 5.984,1012 7.22,1014 10.796,1015 5.822,1016 8.752,1017 0.618,1018 10.782,1019 1.725,1020 6.479,1021 8.016,1023 12.675,1024 6.267,1025 10.161,1026 -0.283,1027 12.577,1028 1.372,1029 7.94,1030 9.874,1032 15.379,1033 7.708,1034 11.596,1035 -0.347,1036 14.402,1037 -0.667,1038 8.817,1039 11.076,1041 17.622,1042 8.543,1043 13.053,1044 -0.448,1045 16.249,1046 -0.891,1047 10.091,1048 12.737,1050 20.176,1051 9.788,1052 3.348,1053 -0.736,1054 18.113,1055 -1.159,1056 11.143,1057 14.131,1059 22.568,1060 10.801,1061 2.808,1062 12.149,1063 19.992,1064 -2.036,1065 12.353,1066 15.716,1068 25.075,1069 11.979,1070 2.619,1071 9.321,1072 21.883,1073 4.733,1074 13.483,1075 17.196,1077 27.527,1078 13.071,1079 2.197,1080 8.135,1081 23.782,1082 3.829,1083 14.676,1084 18.755,1086 30.022,1087 14.229,1088 1.991,1089 6.479,1090 25.69,1091 3.234,1092 15.843,1093 20.274,1095 32.498,1096 15.358,1097 1.879,1098 5.687,1099 27.604,1100 2.946,1101 17.035,1102 21.825,1104 34.992,1105 16.513,1106 1.455,1107 4.963,1108 29.524,1109 2.481,1110 18.219,1111 23.361,1113 37.479,1114 17.66,1115 4854,1116 8364,1117 17.512,1118 25.989,1119 39.768,1120 39.804,1121 40.932,1122 39.985,1123 39.811,1124 52.296,1126 119.528,1127 37.943,1128 5.666,1129 5.393,1130 6.646,1131 5.386,1132 5.348,1133 7.733,1135 19.693,1136 5.226,1137 10.073,1138 1.53,1139 1.531,1140 1.574,1141 1.538,1142 1.531,1143 2.011,1145 4.597,1146 1.459,1147 4.145,1148 4.192,1149 4.124,1150 4.003,1151 8.201,1152 4.026,1153 3.865,1154 3.898,1155 3.813,1156 3.764,1157 6.47,1158 3.768,1159 3.775,1160 3.826,1161 3.662,1162 3.65,1163 5.253,1164 3.65,1165 3.285,1166 3.375,1167 3.223,1168 3.015,1169 4.866,1170 3.057,1171 3.036,1172 3.123,1173 2.948,1174 2.82,1175 4.557,1176 2.84,1177 2.966,1178 2.997,1179 2.904,1180 2.743,1181 4.37,1182 2.766,1183 2.869,1184 2.979,1185 2.708,1186 2.671,1187 4.153,1188 2.635,1189 2.857,1190 2.951,1191 2.583,1192 2.601,1193 3.697,1194 2.617,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.764,1201 0.182,1202 3.393,1204 7.051,1205 0.467,1206 4.311,1207 0.124,1208 3.348,1209 4.733,1211 12.149,1212 3.226,1213 1.922,1214 1.903,1215 1.983,1216 2.034,1217 1.243,1218 2.014,1219 1.786,1220 1.741,1221 1.889,1222 1.972,1223 1.211,1224 1.949,1225 1.585,1226 1.528,1227 1.86,1228 1.78,1229 1.105,1230 1.793,1231 1.577,1232 1.507,1233 1.745,1234 1.751,1235 0.832,1236 1.774,1237 1.138,1238 1.083,1239 1.259,1240 1.386,1241 0.29,1242 1.36,1243 0.879,1244 0.824,1245 1.156,1246 1.23,1247 0.1,1248 1.215,1249 0.855,1250 0.782,1251 1.066,1252 1.139,1253 0.094,1254 1.102,1255 0.762,1256 0.671,1257 0.996,1258 1.06,1259 0.078,1260 1.05,1261 3.97,1263 5.323,1264 3.045,1265 6.866,1266 5.352,1267 8.505,1268 7.455,1269 10.199,1273 13.665,1275 6.022,1276 9.678,1277 4.383,1281 0.266,1289 25.366,1290 66.521,1291 152.846,1292 171.376,1293 184.131,1294 184.131,1295 184.131,1296 40.929,1297 7.274,1298 89.85,1299 89.85,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.493,1305 65,1306 56,1307 0.244,1308 153.348,1309 254.6,1310 365.93,1311 12138,1312 2.6,1313 15.974,1314 0.695,1315 0.539,1316 15.104,1317 12.407,1318 11.131,1319 0.428,1320 0.293,1321 7.5,1322 10.626,1323 7.409,1324 6.089,1325 10.737,1326 7.619,1327 10.435,1328 0.275,1329 0.155,1330 9.789,1331 5.887,1332 8.763,1333 0.165,1334 0.082,1335 8.525,1336 4.345,1337 8.161,1338 0.106,1339 0.043,1340 7.672,1341 3.312,1342 6.126,1343 0.064,1344 0.02,1345 5.979,1346 1.9,1347 0.361,1348 70.372,1349 0.239,1350 21.78,1351 0.742,1352 128,1353 418.153,1354 143.371,1355 382.618,1356 522.69,1357 356,1358 155,1359 395.657,1360 170.534,1361 392.297,1362 579.45,1363 370,1364 7.018}
{0 CHEMBL1242200,1 1.716,2 7.318,3 3.158,4 9.974,5 90.649,6 9.533,7 0.667,8 3.757,9 3.881,10 3.538,11 3.29,12 4.912,13 3.275,14 4.259,15 4.439,16 3.969,17 3.669,18 5.354,19 3.641,20 4.413,21 4.591,22 4.045,23 3.803,24 5.506,25 3.756,26 4.521,27 4.732,28 4.172,29 3.837,30 5.638,31 3.779,32 4.504,33 4.713,34 4.069,35 3.832,36 5.54,37 3.741,38 4.438,39 4.618,40 4.045,41 3.792,42 5.534,43 3.683,44 4.515,45 4.772,46 4.011,47 3.648,48 5.566,49 3.502,50 4.321,51 4.606,52 3.618,53 3.41,54 5.162,55 3.186,56 0.073,57 0.598,58 5.273,59 3.142,60 8.593,61 3.908,62 0.246,63 0.915,64 13.942,65 5.425,66 20.822,67 6.765,68 0.255,69 1.068,70 22.391,71 6.318,72 18.854,73 7.698,74 0.375,75 1.159,76 21.031,77 6.96,78 31.668,79 8.966,80 0.338,81 1.103,82 23.366,83 6.917,84 27.003,85 8.923,86 0.255,87 1.032,88 27.48,89 7.163,90 22.614,91 8.754,92 0.492,93 0.974,94 27.08,95 6.965,96 48.295,97 9.632,98 0.313,99 0.69,100 36.173,101 7.81,102 28.199,103 9.614,104 30,105 35,106 0.307,107 0.695,108 0.803,109 0.825,110 0.825,111 0.825,112 3.149,113 0.955,114 -5.02,115 -4.92,116 -4.61,117 1,118 39.5,119 2,123 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 2,170 2,171 9,172 1,173 1,175 1,178 7,180 1,181 1,182 6,188 4,191 2,192 8,194 3,195 3,197 1,199 3,201 1,203 1,204 7,208 2,211 4,213 2,214 1,215 4,220 2,223 4,225 2,227 2,228 4,230 1,231 1,233 2,237 2,240 2,247 4,264 610,265 14.593,266 14.593,267 14.593,268 14.593,269 14.593,270 12.738,271 15.444,272 8.371,273 15.198,274 11.777,275 11.777,276 11.777,277 11.777,278 11.777,279 8.827,280 13.713,281 3.875,282 12.696,283 3.532,284 1.368,285 0.764,286 0.639,287 0.639,288 0.639,289 3.822,292 1,293 1,294 1,295 338,296 2.828,299 41.546,300 113.895,303 79.656,307 1.045,308 17.755,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 47.25,320 161,321 4.761,322 3.382,323 7.04,324 4.302,325 3.339,326 4.732,327 0.86,328 12.091,329 3.217,330 4.186,331 3.061,332 6.173,333 3.748,334 2.8,335 3.842,337 9.005,338 2.646,339 3.803,340 2.666,341 5.832,342 3.462,343 2.514,344 3.205,346 7.912,347 2.377,348 3.583,349 2.563,350 5.366,351 3.166,352 2.229,353 2.961,355 6.76,356 2.073,357 3.291,358 2.37,359 4.819,360 2.81,361 1.964,362 2.542,364 5.318,365 1.636,366 3.024,367 1.819,368 4.773,369 2.681,370 1.741,371 2.175,373 4.817,374 1.553,375 2.922,376 1.494,377 4.371,378 2.383,379 1.45,380 2.097,382 3.904,383 1.325,384 2.485,385 1.086,386 3.855,387 1.981,388 1.03,389 1.479,391 2.732,392 0.975,393 2.114,394 0.966,395 3.484,396 1.747,397 0.79,398 1.012,400 2.01,401 0.752,402 1.584,403 0.817,404 2.821,405 1.295,406 0.433,407 0.483,409 0.638,410 0.369,411 1.063,412 0.182,413 2.695,414 0.632,415 -0.285,416 -0.362,417 -0.669,418 -0.209,419 0.953,420 -0.151,421 2.426,422 0.441,423 -0.396,424 -0.503,425 -1,426 -0.262,427 0.791,428 -0.385,429 2.259,430 0.335,431 -0.592,432 -0.791,433 -1.627,434 -0.56,435 0.591,436 -0.654,437 2.206,438 0.094,439 -0.831,440 -1,441 -2,442 -0.749,443 0.203,444 -0.828,445 2,447 -1,448 -1.103,449 -2.22,450 -0.869,451 11.167,452 0.508,453 0.665,454 0.03,455 29.5,456 1.341,457 15,458 0.682,459 14.5,460 0.659,461 19.091,462 0.868,463 23.033,464 0.606,465 19.164,466 0.871,467 5.503,468 0.25,469 5.004,470 0.227,471 0.29,473 0.394,478 0.868,479 1.302,480 0.489,481 0.866,482 1.063,483 0.867,484 1.049,485 0.973,486 0.54,487 0.638,488 0.703,489 0.647,490 1.195,491 1.209,492 0.986,493 0.95,494 0.953,495 0.905,496 0.782,497 0.961,498 0.617,499 0.819,500 0.867,501 0.856,502 1.007,503 1.066,504 0.879,505 0.947,506 0.918,507 1.013,508 0.962,509 1.389,510 1.387,511 1.413,512 1.246,513 1.353,514 0.794,515 0.929,516 0.806,517 0.982,518 1.211,519 1.069,520 1.14,521 0.774,522 1.444,523 1.073,524 0.789,525 0.994,526 5,528 2.444,529 2.292,530 1.927,531 0.778,532 0.656,533 0.385,534 0.143,535 0.016,536 4085,537 12594,538 2.017,539 42.1,541 7,543 1,544 2,546 6,549 1.654,550 1.833,551 2.893,552 0.393,553 1,554 1,558 65.208,559 1.716,560 3.88,561 4.484,562 4.609,563 4.609,564 4.609,565 2.22,566 4.187,567 4.432,568 2.999,569 692.71,570 7.662,571 7393.89,572 1,573 1,574 1,575 1,576 199.421,577 1.544,578 4.36,579 0.208,581 0.07,582 0.062,583 0.052,584 0.024,585 0.023,586 0.018,587 0.011,588 0.005,589 0.474,590 0.33,591 1,592 1.003,593 98.008,594 -0.021,595 -0.11,596 0.003,597 -0.04,598 -0.185,599 -0.006,600 0.01,601 0.109,602 0.069,603 0.219,604 0.169,605 0.251,606 -0.19,607 -0.106,608 -0.077,609 -0.021,610 -0.085,611 -0.004,612 0.142,613 0.113,614 0.069,615 0.039,616 0.122,617 0.05,618 -0.108,619 -0.013,620 -0.024,621 -0.026,622 -0.043,623 -0.084,624 -0.072,625 -0.336,626 -0.145,627 -0.365,628 -0.214,629 -0.397,630 0.196,631 0.008,632 0.081,633 -0.051,634 -0.004,635 -0.098,636 -0.066,637 -0.013,638 -0.015,639 0.084,640 0.145,641 0.112,642 1.245,643 2.069,644 0.682,645 14.455,646 1.01,647 1.132,648 3.786,649 14.337,650 0.695,651 3.219,652 3.584,653 3.892,654 4.234,655 4.489,656 4.615,657 4.7,658 4.771,659 4.71,660 4.644,661 4.67,662 0.658,663 362.26,664 3.219,665 4.779,666 5.652,667 6.567,668 7.468,669 8.39,670 9.302,671 10.228,672 11.145,673 12.072,674 13.2,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 1,715 1,716 38,718 16,719 1,720 24,721 1,722 40,723 15,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 4,756 1,757 1,760 16,761 5,762 2,763 7,764 1,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,822 1,823 3,827 22,828 1,835 1,837 1,849 1,850 2.6,855 1,858 12,859 7.86,860 4.833,861 2.184,863 3.163,864 1.454,865 0.984,866 4.062,867 10.125,868 3.497,869 4.186,870 4.87,871 5.566,872 6.147,873 6.557,874 6.987,875 7.416,876 7.656,877 7.944,878 0.8,879 37,880 8.058,881 3.356,882 7.693,883 15.315,884 12.284,885 2.193,886 48.25,890 164.795,891 86.438,892 130.862,894 11,897 132.392,898 175.795,899 84.908,900 28.533,902 61.326,903 63.72,904 38.209,905 2.328,906 153.024,907 45.954,908 164.795,909 171.346,910 11,912 45.954,913 94.169,914 81.626,917 32.518,918 88.594,919 50.234,920 45.954,921 164.795,922 95.908,923 132.392,926 164.795,927 20.857,928 67.357,929 45.954,930 94.131,931 164.795,932 95.908,933 132.392,935 0.588,936 0.352,937 0.203,938 0.12,939 18,940 9,941 0.075,942 3,943 1,944 1.133,945 3.221,946 181.909,947 0.133,948 15,949 96.107,954 15.254,955 5.859,956 2.72,957 1.493,958 94.131,959 7.25,960 13.137,964 3.723,965 1.857,966 32.897,967 393.095,968 32,980 38.367,981 43.034,983 0.327,984 0.739,985 0.854,986 0.878,987 0.878,988 0.878,989 4.745,990 1.03,991 5.673,992 3.904,993 4.263,994 4.871,995 0.908,996 6.553,997 4.13,998 5.996,999 0.79,1000 7.276,1001 2.732,1002 4.007,1003 4.856,1005 7.588,1006 3.806,1007 7.338,1008 0.433,1009 8.978,1010 2.01,1011 5.916,1012 7.204,1013 0.739,1014 10.739,1015 5.696,1016 8.719,1017 -0.285,1018 10.738,1019 0.638,1020 6.447,1021 8.014,1023 12.62,1024 6.183,1025 10.133,1026 -0.396,1027 12.536,1028 -0.669,1029 7.883,1030 9.87,1031 0.593,1032 15.318,1033 7.595,1034 11.572,1035 -0.592,1036 14.361,1037 -1,1038 8.775,1039 11.076,1041 17.56,1042 8.451,1043 13.032,1044 -0.831,1045 16.208,1046 -1.627,1047 10.038,1048 12.737,1049 0.469,1050 20.11,1051 9.689,1052 3.339,1053 -1,1054 18.072,1055 -2,1056 11.097,1057 14.131,1059 22.502,1060 10.713,1061 2.8,1062 12.091,1063 19.949,1064 -2.22,1065 12.303,1066 15.716,1067 0.366,1068 25.007,1069 11.89,1070 2.514,1071 9.005,1072 21.838,1073 4.732,1074 13.436,1075 17.196,1077 27.458,1078 12.988,1079 2.229,1080 7.912,1081 23.737,1082 3.842,1083 14.627,1084 18.755,1085 0.283,1086 29.95,1087 14.148,1088 1.964,1089 6.76,1090 25.643,1091 3.205,1092 15.794,1093 20.273,1095 32.425,1096 15.28,1097 1.741,1098 5.318,1099 27.556,1100 2.961,1101 16.984,1102 21.824,1103 0.217,1104 34.915,1105 16.437,1106 1.45,1107 4.817,1108 29.475,1109 2.542,1110 18.168,1111 23.36,1113 37.4,1114 17.586,1115 4127,1116 7369,1117 15.433,1118 26.404,1119 36.838,1120 37.148,1121 38.927,1122 36.732,1123 36.58,1124 49.059,1125 1.72,1126 110.372,1127 33.841,1128 5.442,1129 5.382,1130 6.574,1131 5.375,1132 5.339,1133 7.732,1134 1.72,1135 19.565,1136 5.217,1137 12.691,1138 1.535,1139 1.548,1140 1.622,1141 1.53,1142 1.524,1143 2.044,1144 0.072,1145 4.599,1146 1.41,1147 4.132,1148 4.179,1149 6.88,1150 4.002,1151 5.256,1152 4.019,1153 3.845,1154 3.866,1155 4.108,1156 3.761,1157 4.904,1158 3.761,1159 3.576,1160 3.654,1161 3.717,1162 3.407,1163 4.803,1164 3.399,1165 3.276,1166 3.34,1167 3.445,1168 3.021,1169 4.513,1170 3.046,1171 3.17,1172 3.252,1173 3.153,1174 2.994,1175 4.346,1176 2.967,1177 3,1178 3.108,1179 2.962,1180 2.738,1181 4.07,1182 2.74,1183 2.874,1184 3.009,1185 2.862,1186 2.674,1187 3.736,1188 2.668,1189 2.804,1190 2.852,1191 2.556,1192 2.618,1193 3.611,1194 2.57,1195 0.198,1196 0.141,1197 0.293,1198 0.179,1199 0.139,1200 4.761,1201 0.197,1202 3.382,1203 0.036,1204 7.04,1205 0.504,1206 4.302,1207 0.134,1208 3.339,1209 4.732,1210 0.86,1211 12.091,1212 3.217,1213 1.927,1214 1.911,1215 1.973,1216 2.035,1217 1.156,1218 2.015,1219 1.795,1220 1.749,1221 1.941,1222 1.972,1223 1.119,1224 1.966,1225 1.611,1226 1.548,1227 1.766,1228 1.808,1229 0.837,1230 1.809,1231 1.216,1232 1.152,1233 1.564,1234 1.517,1235 0.573,1236 1.532,1237 1.113,1238 1.049,1239 1.417,1240 1.38,1241 0.469,1242 1.36,1243 0.934,1244 0.804,1245 1.249,1246 1.239,1247 0.284,1248 1.308,1249 0.877,1250 0.787,1251 1.142,1252 1.206,1253 0.113,1254 1.198,1255 0.781,1256 0.726,1257 0.99,1258 1.056,1259 0.04,1260 1.05,1261 3.892,1263 5.242,1264 2.398,1265 6.79,1266 4.844,1267 8.435,1268 7.081,1269 10.133,1270 3.492,1271 5.736,1275 6.069,1279 5.327,1281 0.166,1289 25.008,1290 65.208,1291 147.447,1292 170.402,1293 175.157,1294 175.157,1295 175.157,1296 30.321,1297 6.961,1298 78.85,1299 78.85,1300 17,1301 12.578,1302 4.087,1303 3.17,1304 34.088,1305 60,1306 64,1307 0.287,1308 161.865,1309 262.87,1310 386.711,1311 8101,1312 2.6,1313 15.853,1314 0.721,1315 0.642,1316 16.853,1317 14.125,1318 10.507,1319 0.438,1320 0.318,1321 6.774,1322 9.453,1323 6.463,1324 5.42,1325 11.085,1326 7.639,1327 9.803,1328 0.28,1329 0.175,1330 10.62,1331 6.14,1332 8.053,1333 0.168,1334 0.08,1335 8.525,1336 3.846,1337 7.126,1338 0.105,1339 0.042,1340 7.763,1341 2.847,1342 5.888,1343 0.067,1344 0.022,1345 6.422,1346 1.957,1347 0.423,1348 74.673,1349 0.255,1350 20.889,1351 0.873,1352 118,1353 352.283,1354 196.186,1355 379.052,1356 517.21,1357 354,1358 142,1359 369.572,1360 183.552,1361 387.389,1362 567.99,1363 362,1364 5.481}
{0 CHEMBL1242201,1 1.617,2 8.625,3 2.818,4 7.942,5 91.967,6 7.568,7 0.593,8 3.894,9 4.017,10 3.476,11 3.384,12 5.029,13 3.387,14 4.427,15 4.599,16 3.854,17 3.796,18 5.483,19 3.779,20 4.658,21 4.87,22 3.922,23 3.889,24 5.718,25 3.851,26 4.677,27 4.904,28 3.919,29 3.878,30 5.776,31 3.846,32 4.636,33 4.845,34 3.798,35 3.884,36 5.708,37 3.826,38 4.601,39 4.82,40 3.753,41 3.841,42 5.641,43 3.77,44 4.6,45 4.828,46 3.629,47 3.752,48 5.705,49 3.656,50 4.567,51 4.844,52 3.261,53 3.54,54 5.535,55 3.395,56 0.092,57 0.681,58 8.907,59 3.65,60 11.429,61 4.784,62 0.238,63 1.084,64 16.824,65 6.236,66 21.179,67 8.482,68 0.365,69 1.272,70 22.735,71 7.287,72 34.704,73 10.711,74 0.452,75 1.297,76 23.82,77 7.02,78 40.605,79 10.285,80 0.386,81 1.255,82 22.036,83 6.76,84 42.712,85 9.879,86 0.33,87 1.192,88 21.297,89 7.004,90 30.481,91 10.343,92 0.411,93 1.112,94 21.897,95 7.119,96 50.846,97 10.546,98 0.491,99 0.917,100 23.572,101 6.986,102 54.187,103 10.445,104 11,105 39,106 0.281,107 0.661,108 0.783,109 0.835,110 0.835,111 0.835,112 3.23,113 0.894,114 -4.38,115 -4.31,116 -4.07,118 39.5,120 4,123 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 8,172 1,173 1,175 2,178 6,180 1,181 1,182 9,184 1,186 2,188 3,191 2,192 10,194 3,195 3,197 2,199 3,201 1,204 7,206 1,208 3,211 4,213 2,214 1,215 5,218 1,220 3,223 6,225 3,227 1,228 2,231 2,232 1,233 2,234 1,235 6,237 2,239 2,242 1,243 1,245 2,247 2,252 2,257 2,264 780,265 16.508,266 16.508,267 16.508,268 16.508,269 16.508,270 14.624,271 14.563,272 9.557,273 16.958,274 13.259,275 13.259,276 13.259,277 13.259,278 13.259,279 10.328,280 12.292,281 4.417,282 13.92,283 3.809,284 1.623,285 0.919,286 0.622,287 0.622,288 0.622,289 3.925,292 1,293 1,294 1,295 454,296 2.345,299 98.979,300 124.642,303 88.212,307 1.24,308 24.231,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52.5,320 207,321 4.764,322 3.392,323 7.05,324 4.311,325 3.348,326 4.733,327 0.86,328 12.146,329 3.225,330 4.24,331 3.116,332 6.268,333 3.827,334 2.87,335 3.897,337 9.348,338 2.746,339 3.881,340 2.788,341 6.049,342 3.623,343 2.662,344 3.246,346 8.606,347 2.556,348 3.699,349 2.451,350 5.73,351 3.302,352 2.35,353 3.104,355 7.54,356 2.23,357 3.239,358 2.043,359 5.079,360 2.949,361 1.995,362 2.365,364 5.69,365 1.898,366 3.008,367 1.929,368 4.502,369 2.472,370 1.544,371 2.245,373 4.255,374 1.429,375 2.847,376 1.536,377 4.236,378 2.409,379 1.463,380 1.978,382 3.654,383 1.377,384 2.639,385 1.409,386 4.146,387 2.307,388 1.343,389 1.685,391 3.527,392 1.291,393 2.455,394 1.144,395 3.664,396 1.991,397 1.057,398 1.441,400 2.578,401 0.984,402 1.867,403 0.937,404 3.25,405 1.675,406 0.704,407 0.8,409 1.753,410 0.681,411 1.755,412 0.694,413 3,414 1.618,415 0.618,416 0.646,417 1.372,418 0.618,419 1.618,420 0.618,421 2.952,422 1.442,423 0.553,424 0.618,425 0.984,426 0.488,427 1.061,428 0.199,429 2.597,430 0.652,431 -0.257,432 -0.308,433 -0.474,434 -0.23,435 0.966,436 -0.149,437 2.46,438 0.592,439 -0.31,440 -0.386,441 -0.694,442 -0.278,443 0.773,444 -0.437,445 2.333,446 0.342,447 -0.611,448 -0.799,449 -1.675,450 -0.578,451 11.167,452 0.465,453 0.572,454 0.024,455 31.75,456 1.323,457 15.5,458 0.646,459 16.25,460 0.677,461 18.991,462 0.791,463 26.033,464 0.605,465 22.389,466 0.933,467 5.932,468 0.247,469 5.754,470 0.24,471 0.11,473 0.394,478 0.932,479 1.272,480 0.784,481 1.068,482 0.987,483 0.925,484 0.904,485 1.108,486 0.796,487 0.986,488 0.61,489 0.895,490 0.837,491 1.252,492 0.839,493 1.045,494 0.688,495 0.953,496 1.032,497 0.935,498 0.895,499 0.831,500 0.906,501 0.828,502 1.127,503 1.105,504 1.167,505 1.018,506 1.22,507 1.071,508 0.782,509 1.139,510 1.035,511 1.119,512 0.926,513 1.108,514 0.732,515 1.158,516 1.108,517 1.254,518 0.925,519 1.245,520 0.97,521 0.786,522 1.1,523 1.005,524 1.258,525 1.064,526 4,527 0.032,528 3.111,529 1.944,530 1.687,531 0.858,532 0.551,533 0.398,534 0.228,535 0.097,536 5813,537 15028,538 2.135,539 44.2,540 4,541 7,543 1,544 3,546 4,549 1.676,550 2,551 3.078,552 1.039,553 1,554 1,556 1,558 69.522,559 1.617,560 3.804,561 4.507,562 4.804,563 4.804,564 4.804,565 2.507,566 4.137,567 4.554,568 3.196,569 882.164,570 7.899,571 9905.6,573 1,575 1,576 233.329,577 1.406,578 4.518,579 0.148,580 0.006,581 0.08,582 0.049,583 0.042,584 0.025,585 0.017,586 0.015,587 0.013,588 0.009,589 0.403,590 0.33,591 1,592 0.757,593 111.068,594 -0.061,595 -0.049,596 0.045,597 0.006,598 -0.102,599 0.037,600 0.004,601 0.013,602 0.096,603 0.048,604 0.088,605 0.076,606 0.078,607 -0.21,608 0.104,609 -0.059,610 0.15,611 0.015,612 -0.031,613 0.126,614 0.073,615 0.105,616 0.026,617 0.105,618 -0.202,619 -0.013,620 -0.238,621 -0.054,622 -0.177,623 -0.133,624 0.006,625 -0.077,626 -0.113,627 -0.132,628 -0.064,629 -0.136,630 0.147,631 -0.151,632 -0.158,633 -0.275,634 0.092,635 -0.271,636 0.066,637 0.075,638 -0.064,639 -0.053,640 -0.069,641 -0.072,642 1.603,643 4.09,644 0.833,645 18.125,646 1.008,647 1.135,648 3.148,649 9.911,650 0.657,651 3.332,652 3.689,653 4.043,654 4.369,655 4.595,656 4.787,657 4.956,658 5.1,659 5.147,660 5.106,661 5.139,662 0.633,663 325.41,664 3.332,665 4.89,666 5.778,667 6.686,668 7.594,669 8.513,670 9.431,671 10.355,672 11.278,673 12.204,674 11.6,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,714 1,716 43,718 16,719 1,720 27,722 46,723 17,724 11,725 3,726 3,728 4,729 5,735 5,738 5,740 11,741 6,756 1,757 1,760 19,761 6,762 3,763 7,769 5,775 0.75,776 2,785 1,788 1,793 2,794 2,797 1,819 3,823 1,827 24,828 1,832 1,833 4,835 1,837 1,850 4.7,852 1,855 1,858 12,859 7.917,860 5.278,861 2.622,863 3.091,864 1.42,865 0.984,866 3.866,867 10.455,868 3.584,869 4.245,870 4.934,871 5.604,872 6.183,873 6.62,874 7.088,875 7.546,876 7.841,877 8.119,878 0.833,879 40,880 8.858,881 3.85,882 7.729,883 16.972,884 14.327,885 2.229,886 53.5,889 1,890 188.338,891 75.87,892 84.908,894 53.683,897 75.87,898 242.021,899 84.908,900 10.883,901 10.138,902 61.326,903 106.404,904 35.154,905 2.328,906 176.567,908 188.338,909 160.778,910 53.683,913 141.253,914 100.768,917 25.005,918 85.539,919 50.234,921 188.338,922 138.591,923 75.87,926 188.338,927 27.94,928 49.707,930 136.814,931 188.338,932 138.591,933 75.87,935 0.584,936 0.363,937 0.206,938 0.106,939 21,940 9,941 0.065,942 3,943 1,944 1.1,945 3.523,946 210.86,947 0.1,948 20,949 106.039,954 15.364,955 6.039,956 2.556,957 1.48,958 136.814,959 6.67,960 13.308,964 2.329,965 1.969,966 75.581,967 402.799,968 35,980 43.349,981 48.817,983 0.298,984 0.701,985 0.831,986 0.885,987 0.885,988 0.885,989 4.836,990 1.343,991 5.778,992 3.654,993 4.369,994 4.931,995 0.908,996 6.655,997 4.279,998 6.061,999 1.057,1000 7.376,1001 3.527,1002 4.007,1003 4.856,1005 7.689,1006 3.871,1007 7.395,1008 0.704,1009 9.078,1010 2.578,1011 6.019,1012 7.237,1013 0.739,1014 10.849,1015 5.852,1016 8.773,1017 0.618,1018 10.842,1019 1.753,1020 6.524,1021 8.046,1023 12.74,1024 6.312,1025 10.187,1026 0.553,1027 12.645,1028 1.372,1029 7.989,1030 9.899,1031 0.593,1032 15.427,1033 7.748,1034 11.627,1035 -0.257,1036 14.475,1037 0.984,1038 8.874,1039 11.108,1041 17.665,1042 8.59,1043 13.088,1044 -0.31,1045 16.326,1046 -0.474,1047 10.145,1048 12.764,1049 0.469,1050 20.207,1051 9.83,1052 3.348,1053 -0.611,1054 18.191,1055 -0.694,1056 11.198,1057 14.158,1059 22.592,1060 10.843,1061 2.87,1062 12.146,1063 20.069,1064 -1.675,1065 12.403,1066 15.739,1067 0.366,1068 25.092,1069 12.016,1070 2.662,1071 9.348,1072 21.956,1073 4.733,1074 13.531,1075 17.217,1077 27.539,1078 13.106,1079 2.35,1080 8.606,1081 23.852,1082 3.897,1083 14.72,1084 18.773,1085 0.283,1086 30.03,1087 14.26,1088 1.995,1089 7.54,1090 25.755,1091 3.246,1092 15.883,1093 20.29,1095 32.503,1096 15.385,1097 1.544,1098 5.69,1099 27.664,1100 3.104,1101 17.07,1102 21.839,1103 0.217,1104 34.994,1105 16.538,1106 1.463,1107 4.255,1108 29.578,1109 2.365,1110 18.25,1111 23.373,1113 37.48,1114 17.681,1115 5574,1116 9098,1117 18.205,1118 28.267,1119 40.913,1120 41.254,1121 42.517,1122 41.097,1123 41.011,1124 53.516,1125 1.72,1126 122.904,1127 39.046,1128 5.665,1129 5.392,1130 6.646,1131 5.386,1132 5.348,1133 7.733,1134 1.72,1135 19.684,1136 5.225,1137 10.546,1138 1.515,1139 1.528,1140 1.575,1141 1.522,1142 1.519,1143 1.982,1144 0.064,1145 4.552,1146 1.446,1147 4.145,1148 4.192,1149 4.124,1150 4.004,1151 6.47,1152 4.026,1153 3.867,1154 3.896,1155 3.811,1156 3.766,1157 5.254,1158 3.77,1159 3.778,1160 3.827,1161 3.662,1162 3.651,1163 4.877,1164 3.651,1165 3.315,1166 3.392,1167 3.242,1168 3.05,1169 4.749,1170 3.086,1171 3.209,1172 3.29,1173 3.055,1174 2.917,1175 4.517,1176 2.939,1177 3.008,1178 3.104,1179 2.884,1180 2.768,1181 4.299,1182 2.78,1183 2.932,1184 2.979,1185 2.804,1186 2.745,1187 4.138,1188 2.746,1189 2.869,1190 2.973,1191 2.617,1192 2.671,1193 3.694,1194 2.635,1195 0.176,1196 0.126,1197 0.261,1198 0.16,1199 0.124,1200 4.764,1201 0.175,1202 3.392,1203 0.032,1204 7.05,1205 0.45,1206 4.311,1207 0.119,1208 3.348,1209 4.733,1210 0.86,1211 12.146,1212 3.225,1213 1.924,1214 1.907,1215 1.99,1216 2.035,1217 1.243,1218 2.016,1219 1.787,1220 1.744,1221 1.89,1222 1.976,1223 1.211,1224 1.952,1225 1.587,1226 1.531,1227 1.86,1228 1.785,1229 1.116,1230 1.793,1231 1.577,1232 1.507,1233 1.749,1234 1.751,1235 0.84,1236 1.778,1237 1.226,1238 1.167,1239 1.568,1240 1.52,1241 0.574,1242 1.535,1243 1.072,1244 0.991,1245 1.24,1246 1.362,1247 0.274,1248 1.341,1249 0.883,1250 0.839,1251 1.149,1252 1.209,1253 0.148,1254 1.189,1255 0.856,1256 0.766,1257 1.107,1258 1.132,1259 0.094,1260 1.129,1261 4.007,1263 5.352,1264 3.045,1265 6.899,1266 5.352,1267 8.541,1268 7.455,1269 10.236,1271 1.519,1275 6.109,1276 10.09,1277 4.582,1279 5.109,1281 0.336,1289 27.224,1290 69.522,1291 163.555,1292 193.82,1293 206.574,1294 206.574,1295 206.574,1296 36.271,1297 7.364,1298 99.08,1299 99.08,1300 22,1301 12.709,1302 4.087,1303 3.17,1304 33.584,1305 72,1306 86,1307 0.232,1308 165.739,1309 274.62,1310 396.163,1311 13619,1313 16.681,1314 0.695,1315 0.56,1316 16.681,1317 13.437,1318 11.686,1319 0.433,1320 0.298,1321 7.913,1322 11.151,1323 7.76,1324 6.423,1325 11.686,1326 8.048,1327 10.476,1328 0.269,1329 0.156,1330 10.476,1331 6.076,1332 9.46,1333 0.169,1334 0.083,1335 9.46,1336 4.641,1337 8.298,1338 0.106,1339 0.044,1340 8.298,1341 3.438,1342 6.28,1343 0.064,1344 0.02,1345 6.28,1346 1.98,1347 0.348,1348 73.951,1349 0.234,1350 22.771,1351 0.689,1352 132,1353 379.778,1354 146.418,1355 366.592,1356 512.27,1357 344,1358 161,1359 393.869,1360 177.057,1361 396.967,1362 586.7,1363 373,1364 6.588}
{0 CHEMBL1242202,1 1.591,2 9.12,3 3.07,4 9.424,5 96.515,6 7.379,7 0.571,8 3.951,9 4.076,10 3.512,11 3.442,12 5.071,13 3.438,14 4.492,15 4.67,16 3.9,17 3.863,18 5.523,19 3.838,20 4.737,21 4.945,22 3.974,23 3.984,24 5.776,25 3.933,26 4.82,27 5.066,28 3.956,29 3.979,30 5.849,31 3.919,32 4.741,33 4.973,34 3.849,35 3.945,36 5.768,37 3.879,38 4.662,39 4.879,40 3.831,41 3.913,42 5.708,43 3.846,44 4.688,45 4.914,46 3.719,47 3.86,48 5.776,49 3.764,50 4.654,51 4.917,52 3.43,53 3.693,54 5.635,55 3.555,56 0.081,57 0.72,58 9.864,59 3.983,60 11.928,61 5.337,62 0.228,63 1.151,64 18.545,65 6.821,66 22.565,67 9.452,68 0.336,69 1.381,70 24.743,71 8.161,72 35.114,73 12.049,74 0.456,75 1.44,76 28.418,77 8.496,78 45.705,79 12.798,80 0.417,81 1.354,82 25.734,83 7.453,84 46.337,85 11.384,86 0.328,87 1.281,88 22.96,89 7.338,90 31.822,91 11.027,92 0.422,93 1.229,94 24.135,95 7.745,96 53.463,97 11.592,98 0.448,99 1.045,100 24.972,101 7.833,102 52.135,103 11.646,104 18,105 41,106 0.273,107 0.661,108 0.829,109 0.882,110 0.882,111 0.882,112 3.269,113 0.905,114 -4.62,115 -4.54,116 -4.27,118 39.1,119 1,120 3,121 1,123 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 7,170 2,171 8,172 1,173 1,175 2,178 8,180 1,181 1,182 9,184 1,186 2,188 4,191 2,192 11,194 3,195 3,197 2,199 3,201 1,204 8,206 1,208 3,211 4,213 2,214 1,215 6,218 1,220 3,223 7,225 3,227 1,228 2,231 2,232 1,233 2,234 1,235 7,237 2,239 2,240 1,242 1,243 1,245 3,247 4,249 1,252 2,257 2,260 1,264 872,265 16.955,266 16.955,267 16.955,268 16.955,269 16.955,270 15.072,271 14.563,272 9.693,273 17.406,274 13.742,275 13.742,276 13.742,277 13.742,278 13.742,279 10.811,280 12.292,281 4.496,282 14.402,283 3.933,284 1.67,285 0.691,286 0.381,287 0.381,288 0.381,289 3.962,292 1,293 1,294 1,295 496,296 2.449,299 104.893,300 131.024,303 93.168,307 1.264,308 25.051,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 54.5,320 228,321 4.764,322 3.395,323 7.051,324 4.313,325 3.35,326 4.733,327 0.86,328 12.15,329 3.228,330 4.24,331 3.117,332 6.28,333 3.842,334 2.88,335 3.897,337 9.406,338 2.774,339 3.913,340 2.838,341 6.055,342 3.698,343 2.73,344 3.253,346 8.644,347 2.639,348 3.701,349 2.454,350 5.738,351 3.311,352 2.357,353 3.104,355 7.582,356 2.242,357 3.431,358 2.277,359 5.257,360 3.188,361 2.227,362 2.542,364 6.411,365 2.135,366 3.011,367 1.934,368 4.751,369 2.617,370 1.665,371 2.25,373 4.851,374 1.581,375 2.876,376 1.736,377 4.502,378 2.471,379 1.542,380 1.978,382 4.247,383 1.428,384 2.847,385 1.532,386 4.15,387 2.408,388 1.461,389 1.954,391 3.649,392 1.377,393 2.525,394 1.145,395 4.041,396 2.031,397 1.083,398 1.535,400 2.956,401 1.024,402 2.171,403 1.011,404 3.607,405 1.884,406 0.923,407 1.107,409 2.338,410 0.884,411 1.765,412 0.883,413 3.267,414 1.645,415 0.658,416 0.688,417 1.63,418 0.647,419 1.686,420 0.652,421 2.952,422 1.444,423 0.557,424 0.642,425 0.987,426 0.49,427 1.065,428 0.2,429 2.597,430 0.655,431 -0.255,432 -0.306,433 -0.474,434 -0.229,435 0.966,436 -0.142,437 2.541,438 0.596,439 -0.306,440 -0.379,441 -0.684,442 -0.274,443 0.774,444 -0.435,445 2.371,446 0.343,447 -0.611,448 -0.738,449 -1.675,450 -0.578,451 11.667,452 0.467,453 0.678,454 0.027,455 32.25,456 1.29,457 15.5,458 0.62,459 16.75,460 0.67,461 21.344,462 0.854,463 27.333,464 0.594,465 23.019,466 0.921,467 5.932,468 0.237,469 6.148,470 0.246,471 0.149,473 0.42,478 0.926,479 1.284,480 0.806,481 1.091,482 1.001,483 0.953,484 0.887,485 1.088,486 0.781,487 0.966,488 0.598,489 0.877,490 0.821,491 1.293,492 0.895,493 1.119,494 0.686,495 1.031,496 0.926,497 0.961,498 0.87,499 0.877,500 0.821,501 0.861,502 1.113,503 1.023,504 1.071,505 0.897,506 1.138,507 0.947,508 0.838,509 1.145,510 1.04,511 1.086,512 0.962,513 1.078,514 0.782,515 1.134,516 1.131,517 1.217,518 0.955,519 1.222,520 0.921,521 0.92,522 1.093,523 1.097,524 1.182,525 1.123,526 5,527 0.061,528 3.333,529 2.264,530 1.812,531 0.914,532 0.677,533 0.524,534 0.28,535 0.127,536 6442,537 16119,538 2.105,539 45.7,540 6,541 7,543 1,544 3,546 4,549 1.687,550 1.948,551 3.148,552 1.005,553 1,554 1,558 73.177,559 1.591,560 3.854,561 4.833,562 5.143,563 5.143,564 5.143,565 2.634,566 4.324,567 4.612,568 3.258,569 977.419,570 8.016,571 11310.8,573 1,575 1,576 254.084,577 1.473,578 4.565,579 0.179,580 0.009,581 0.081,582 0.054,583 0.044,584 0.025,585 0.019,586 0.017,587 0.013,588 0.01,589 0.451,590 0.33,591 1,592 0.795,593 117.609,594 -0.048,595 -0.047,596 0.048,597 0.004,598 -0.106,599 0.035,600 0.021,601 0.039,602 0.127,603 0.081,604 0.106,605 0.11,606 0.077,607 -0.23,608 0.042,609 -0.114,610 0.136,611 -0.053,612 0.023,613 0.06,614 0.11,615 0.07,616 0.065,617 0.095,618 -0.167,619 0.044,620 -0.109,621 0.053,622 -0.117,623 -0.002,624 -0.015,625 -0.051,626 -0.111,627 -0.101,628 -0.074,629 -0.113,630 0.111,631 -0.095,632 -0.183,633 -0.237,634 0.061,635 -0.253,636 0.078,637 -0.017,638 -0.093,639 -0.127,640 -0.033,641 -0.134,642 1.604,643 4.125,644 0.8,645 19.485,646 1.005,647 1.135,648 3.386,649 11.463,650 0.653,651 3.367,652 3.738,653 4.078,654 4.407,655 4.644,656 4.828,657 5.011,658 5.182,659 5.247,660 5.215,661 5.329,662 0.625,663 339.44,664 3.367,665 4.934,666 5.82,667 6.732,668 7.64,669 8.56,670 9.478,671 10.403,672 11.326,673 12.254,674 10.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,714 1,716 46,718 16,719 1,720 28,722 49,723 18,724 11,725 3,726 3,728 4,729 5,732 1,735 4,736 1,738 4,740 11,741 7,742 1,756 1,757 1,760 21,761 6,762 3,763 7,769 5,775 0.75,776 2,785 1,788 1,793 2,794 2,797 1,819 3,823 2,827 25,828 1,832 1,833 3,835 1,837 2,850 4.3,852 1,855 1,858 12.833,859 8.75,860 5.444,861 2.789,863 3.077,864 1.412,865 0.97,866 4.098,867 10.548,868 3.611,869 4.273,870 4.948,871 5.615,872 6.195,873 6.633,874 7.107,875 7.575,876 7.877,877 8.161,878 1,879 42,880 9.233,881 4.007,882 7.713,883 17.728,884 15.02,885 2.213,886 55.333,889 1,890 211.88,891 82.161,892 84.908,894 53.683,897 82.161,898 265.563,899 84.908,900 19.708,901 7.604,902 61.326,903 106.404,904 35.154,905 2.328,906 200.109,908 211.88,909 167.069,910 53.683,913 164.795,914 100.768,917 31.296,918 85.539,919 50.234,921 211.88,922 138.591,923 82.161,926 211.88,927 25.406,928 58.532,930 136.814,931 211.88,932 138.591,933 82.161,935 0.59,936 0.361,937 0.202,938 0.108,939 22,940 10,941 0.061,942 3,943 1,944 1.1,945 3.579,946 223.064,947 0.1,948 20,949 116.096,954 16.308,955 6.283,956 2.754,957 1.475,958 136.814,959 6.68,960 13.382,964 2.321,965 1.98,966 75.581,967 432.632,968 36,980 46.232,981 52.232,983 0.288,984 0.698,985 0.875,986 0.931,987 0.931,988 0.931,989 4.875,990 1.461,991 5.832,992 4.247,993 4.419,994 4.959,995 0.908,996 6.711,997 4.333,998 6.105,999 1.083,1000 7.433,1001 3.649,1002 4.111,1003 4.902,1005 7.738,1006 3.989,1007 7.439,1008 0.923,1009 9.134,1010 2.956,1011 6.075,1012 7.254,1013 0.739,1014 10.887,1015 5.918,1016 8.814,1017 0.658,1018 10.893,1019 2.338,1020 6.594,1021 8.062,1023 12.764,1024 6.399,1025 10.224,1026 0.557,1027 12.691,1028 1.63,1029 8.043,1030 9.907,1031 0.593,1032 15.45,1033 7.817,1034 11.66,1035 -0.255,1036 14.515,1037 0.987,1038 8.929,1039 11.114,1041 17.68,1042 8.662,1043 13.117,1044 -0.306,1045 16.36,1046 -0.474,1047 10.193,1048 12.767,1049 0.469,1050 20.222,1051 9.894,1052 3.35,1053 -0.611,1054 18.221,1055 -0.684,1056 11.243,1057 14.16,1059 22.603,1060 10.905,1061 2.88,1062 12.15,1063 20.094,1064 -1.675,1065 12.445,1066 15.741,1067 0.366,1068 25.103,1069 12.073,1070 2.73,1071 9.406,1072 21.978,1073 4.733,1074 13.57,1075 17.219,1077 27.548,1078 13.159,1079 2.357,1080 8.644,1081 23.871,1082 3.897,1083 14.755,1084 18.774,1085 0.283,1086 30.038,1087 14.31,1088 2.227,1089 7.582,1090 25.771,1091 3.253,1092 15.915,1093 20.29,1095 32.511,1096 15.432,1097 1.665,1098 6.411,1099 27.678,1100 3.104,1101 17.101,1102 21.839,1103 0.217,1104 35.002,1105 16.581,1106 1.542,1107 4.851,1108 29.591,1109 2.542,1110 18.279,1111 23.373,1113 37.487,1114 17.721,1115 6213,1116 9984,1117 18.611,1118 30.029,1119 43.004,1120 43.21,1121 45.018,1122 42.906,1123 42.861,1124 55.368,1125 1.72,1126 129.704,1127 40.896,1128 5.666,1129 5.395,1130 6.592,1131 5.388,1132 5.35,1133 7.733,1134 1.72,1135 19.704,1136 5.228,1137 12.636,1138 1.536,1139 1.543,1140 1.608,1141 1.532,1142 1.531,1143 1.977,1144 0.061,1145 4.632,1146 1.461,1147 4.147,1148 4.194,1149 4.125,1150 4.007,1151 6.47,1152 4.029,1153 3.877,1154 3.911,1155 3.814,1156 3.783,1157 5.254,1158 3.781,1159 3.802,1160 3.842,1161 3.701,1162 3.676,1163 4.877,1164 3.682,1165 3.335,1166 3.419,1167 3.259,1168 3.073,1169 4.749,1170 3.105,1171 3.24,1172 3.311,1173 3.08,1174 3.003,1175 4.518,1176 3.004,1177 3.09,1178 3.187,1179 2.897,1180 2.858,1181 4.317,1182 2.855,1183 2.999,1184 3.103,1185 2.827,1186 2.746,1187 4.195,1188 2.754,1189 2.931,1190 2.973,1191 2.803,1192 2.738,1193 3.714,1194 2.741,1195 0.17,1196 0.121,1197 0.252,1198 0.154,1199 0.12,1200 4.764,1201 0.169,1202 3.395,1203 0.031,1204 7.051,1205 0.434,1206 4.313,1207 0.115,1208 3.35,1209 4.733,1210 0.86,1211 12.15,1212 3.228,1213 1.924,1214 1.907,1215 1.99,1216 2.035,1217 1.28,1218 2.016,1219 1.788,1220 1.745,1221 1.934,1222 1.976,1223 1.239,1224 1.954,1225 1.672,1226 1.612,1227 1.887,1228 1.832,1229 1.116,1230 1.867,1231 1.586,1232 1.529,1233 1.752,1234 1.783,1235 0.842,1236 1.779,1237 1.228,1238 1.169,1239 1.569,1240 1.522,1241 0.574,1242 1.535,1243 1.085,1244 1,1245 1.387,1246 1.379,1247 0.517,1248 1.371,1249 0.932,1250 0.841,1251 1.228,1252 1.218,1253 0.258,1254 1.251,1255 0.883,1256 0.83,1257 1.149,1258 1.193,1259 0.143,1260 1.186,1261 4.043,1263 5.398,1264 3.045,1265 6.948,1266 5.416,1267 8.589,1268 7.545,1269 10.281,1271 3.781,1275 6.136,1276 10.125,1277 3.342,1279 5.12,1281 0.99,1289 28.751,1290 73.177,1291 177.271,1292 222.309,1293 236.574,1294 236.574,1295 236.574,1296 39.841,1297 7.471,1298 99.08,1299 99.08,1300 22,1301 12.759,1302 4.087,1303 3.17,1304 35.638,1305 78,1306 92,1307 0.228,1308 175.331,1309 291.92,1310 419.568,1311 15556,1313 17.552,1314 0.702,1315 0.572,1316 17.552,1317 14.307,1318 12.08,1319 0.431,1320 0.302,1321 8.306,1322 11.545,1323 8.084,1324 6.722,1325 12.08,1326 8.442,1327 11.11,1328 0.271,1329 0.164,1330 11.11,1331 6.709,1332 9.795,1333 0.169,1334 0.086,1335 9.795,1336 4.983,1337 8.552,1338 0.106,1339 0.046,1340 8.552,1341 3.689,1342 6.665,1343 0.065,1344 0.023,1345 6.665,1346 2.318,1347 0.342,1348 76.314,1349 0.232,1350 23.611,1351 0.673,1352 138,1353 385.778,1354 152.418,1355 373.351,1356 521.45,1357 350,1358 168,1359 400.869,1360 184.057,1361 405.107,1362 597.98,1363 380,1364 6.78}
{0 CHEMBL1242203,1 1.693,2 8.522,3 0.866,4 0.75,5 85.98,6 8.009,7 0.615,8 3.823,9 3.948,10 3.448,11 3.276,12 5.011,13 3.305,14 4.304,15 4.476,16 3.782,17 3.638,18 5.431,19 3.652,20 4.457,21 4.64,22 3.881,23 3.74,24 5.631,25 3.745,26 4.529,27 4.723,28 3.874,29 3.779,30 5.714,31 3.767,32 4.547,33 4.758,34 3.723,35 3.765,36 5.649,37 3.715,38 4.479,39 4.699,40 3.673,41 3.675,42 5.561,43 3.624,44 4.461,45 4.7,46 3.504,47 3.532,48 5.628,49 3.455,50 4.337,51 4.616,52 3.136,53 3.238,54 5.364,55 3.137,56 0.137,57 0.648,58 7.501,59 2.943,60 13.078,61 3.767,62 0.321,63 0.967,64 14.058,65 4.714,66 23.795,67 6.302,68 0.418,69 1.089,70 16.893,71 5.445,72 32.024,73 7.596,74 0.455,75 1.156,76 18.377,77 5.916,78 37.042,79 8.091,80 0.451,81 1.125,82 19.361,83 6,84 43.457,85 8.572,86 0.368,87 1.033,88 18.225,89 5.764,90 31.8,91 8.574,92 0.506,93 0.914,94 19.035,95 5.627,96 54.129,97 8.424,98 0.518,99 0.672,100 19.338,101 5.014,102 49.733,103 7.659,104 11,105 38,106 0.3,107 0.721,108 0.839,109 0.86,110 0.86,111 0.86,112 3.19,113 0.837,114 -3.14,115 -3.13,116 -3.01,118 38.5,123 1,124 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 6,172 1,173 1,175 2,178 3,180 1,181 1,182 5,184 2,186 2,188 3,191 2,192 6,194 3,195 4,197 2,199 1,201 1,204 5,206 2,208 4,213 2,214 1,215 3,218 1,220 2,225 1,227 1,231 3,232 2,233 2,234 2,239 2,242 1,243 1,245 1,256 1,264 699,265 15.801,266 15.801,267 15.801,268 15.801,269 15.801,270 13.917,271 16.799,272 9.057,273 16.308,274 12.759,275 12.759,276 12.759,277 12.759,278 12.759,279 9.828,280 17.078,281 4.17,282 13.505,283 3.593,284 1.218,285 0.552,286 0.43,287 0.43,288 0.43,289 3.881,293 1,294 1,295 432,296 2.345,298 43.085,299 44.297,300 119.937,303 85,307 1.195,308 24.986,311 1,312 1,313 1,314 0.8,316 1,317 1,318 0.83,319 51,320 196,321 4.764,322 3.399,323 7.051,324 4.312,325 3.35,326 4.733,327 0.86,328 12.147,329 3.225,330 4.24,331 3.118,332 6.272,333 3.83,334 2.873,335 3.897,336 0.4,337 9.362,338 2.745,339 3.895,340 2.846,341 6.051,342 3.635,343 2.682,344 3.252,346 8.615,347 2.551,348 3.7,349 2.452,350 5.732,351 3.303,352 2.351,353 3.104,355 7.546,356 2.23,357 3.256,358 2.121,359 5.096,360 2.928,361 1.995,362 2.39,364 5.747,365 1.859,366 3.008,367 1.931,368 4.502,369 2.472,370 1.544,371 2.245,373 4.255,374 1.428,375 2.847,376 1.537,377 4.246,378 2.409,379 1.462,380 1.978,382 3.653,383 1.377,384 2.615,385 1.404,386 4.146,387 2.176,388 1.235,389 1.659,391 3.475,392 1.159,393 2.42,394 1.143,395 3.655,396 1.964,397 1.038,398 1.395,400 2.516,401 0.958,402 1.768,403 0.927,404 2.981,405 1.459,406 0.576,407 0.666,409 1.016,410 0.504,411 1.433,412 0.486,413 2.945,414 1.243,415 0.307,416 0.338,417 0.752,418 0.286,419 1.046,420 0.22,421 2.618,422 0.951,427 1,428 0.199,429 2.597,430 0.647,431 -0.26,432 -0.31,433 -0.475,434 -0.232,435 0.966,436 -0.164,437 2.413,438 0.583,439 -0.321,440 -0.403,441 -0.723,442 -0.289,443 0.771,444 -0.44,445 2.262,446 0.342,447 -0.611,448 -0.801,449 -1.676,450 -0.578,451 10.567,452 0.459,453 0.572,454 0.025,455 31.75,456 1.38,457 15.5,458 0.674,459 16.25,460 0.707,461 15.887,462 0.691,463 24.833,464 0.637,465 22.776,466 0.99,467 6.359,468 0.276,469 4.827,470 0.21,471 0.117,473 0.416,478 1.003,479 1.336,480 0.751,481 1.043,482 1.04,483 0.87,484 1.056,485 1.058,486 0.811,487 0.881,488 0.709,489 0.804,490 0.912,491 1.177,492 0.808,493 0.973,494 0.8,495 0.877,496 0.999,497 1.014,498 0.972,499 1.001,500 0.961,501 0.985,502 1.026,503 1.101,504 1.141,505 1.074,506 1.162,507 1.116,508 0.747,509 1.231,510 0.975,511 1.18,512 0.908,513 1.124,514 0.739,515 1.01,516 1.091,517 1.195,518 0.898,519 1.211,520 1.052,521 0.741,522 1.023,523 0.908,524 1.265,525 0.953,526 4,527 0.033,528 3,529 2.042,530 1.709,531 0.768,532 0.505,533 0.376,534 0.216,535 0.071,536 5235,537 15016,538 2.141,539 41,541 11,543 1,544 4,549 1.664,550 2,551 3.052,552 1.908,554 1,556 1,558 66.018,559 1.693,560 4.067,561 4.734,562 4.856,563 4.856,564 4.856,565 2.475,566 4.263,567 4.492,568 3.16,569 799.435,570 7.774,571 8706.88,572 1,573 1,576 206.131,577 1.422,578 4.454,579 0.154,580 0.008,581 0.083,582 0.052,583 0.045,584 0.024,585 0.017,586 0.016,587 0.014,588 0.008,589 0.422,590 0.33,591 1,592 0.777,593 104.817,594 -0.129,595 -0.106,596 0.031,597 0.001,598 -0.171,599 0.045,600 -0.103,601 0.069,602 0.063,603 0.117,604 0.014,605 0.123,606 0.034,607 -0.091,608 0.089,609 0.021,610 0.091,611 0.064,612 -0.051,613 0.076,614 -0.067,615 -0.033,616 -0.027,617 -0.058,618 -0.156,619 -0.055,620 -0.224,621 -0.094,622 -0.152,623 -0.16,624 0.032,625 -0.212,626 -0.048,627 -0.188,628 -0.039,629 -0.139,630 0.187,631 -0.052,632 -0.105,633 -0.242,634 0.146,635 -0.237,636 0.077,637 0.055,638 0.082,639 0.035,640 -0.022,641 0.063,642 1.617,643 4.035,644 0.826,645 16.964,646 1.018,647 1.141,648 1.907,649 3.637,650 0.66,651 3.296,652 3.664,653 4.025,654 4.304,655 4.575,656 4.754,657 4.913,658 5.037,659 5.037,660 4.99,661 5.008,662 0.646,663 312.37,664 3.296,665 4.86,666 5.753,667 6.666,668 7.578,669 8.5,670 9.421,671 10.348,672 11.273,673 12.203,674 15.4,676 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,714 1,716 39,717 1,718 16,719 1,720 26,722 42,723 15,724 11,725 3,726 3,728 4,729 5,735 1,738 1,740 11,741 4,756 1,757 1,760 16,761 7,762 4,763 8,769 6,775 0.75,776 2,785 1,788 1,792 1,793 1,794 2,797 1,815 1,819 3,823 1,827 23,828 1,832 1,833 2,834 1,835 1,837 1,850 5.1,852 1,855 1,858 11.5,859 7.167,860 5.028,861 2.122,863 3.107,864 1.429,865 0.995,866 3.413,867 10.352,868 3.555,869 4.23,870 4.926,871 5.585,872 6.179,873 6.612,874 7.077,875 7.53,876 7.81,877 8.085,878 0.833,879 39,880 8.459,881 3.694,882 7.804,883 15.971,884 13.36,885 2.304,886 53,890 141.253,891 69.944,892 102.919,894 53.683,897 69.944,898 194.936,899 102.919,900 10.883,901 4.211,902 79.337,903 106.404,904 35.154,905 2.328,906 129.482,908 141.253,909 172.862,910 53.683,913 141.253,914 53.683,917 37.089,918 85.539,919 50.234,921 141.253,922 156.602,923 69.944,926 141.253,927 22.013,928 49.707,929 18.011,930 136.814,931 141.253,932 156.602,933 69.944,935 0.588,936 0.367,937 0.196,938 0.107,939 21,940 9,941 0.071,942 3,943 1,944 1.105,945 3.468,946 198.661,947 0.105,948 19,949 102.042,954 14.389,955 5.456,956 2.248,957 1.401,958 154.825,959 6.574,960 13.1,964 2.223,965 1.875,966 93.591,967 367.799,968 34,980 39.683,981 44.485,983 0.32,984 0.77,985 0.896,986 0.919,987 0.919,988 0.919,989 4.812,990 1.235,991 5.759,992 3.653,993 4.344,994 4.916,995 1.029,996 6.645,997 4.24,998 6.045,999 1.038,1000 7.363,1001 3.475,1002 4.007,1003 4.856,1005 7.689,1006 3.871,1007 7.388,1008 0.576,1009 9.071,1010 2.516,1011 6.023,1012 7.239,1013 0.763,1014 10.853,1015 5.838,1016 8.771,1017 0.307,1018 10.839,1019 1.016,1020 6.524,1021 8.046,1023 12.742,1024 6.304,1025 10.188,1027 12.645,1028 0.752,1029 8.002,1030 9.901,1031 0.597,1032 15.43,1033 7.743,1034 11.63,1035 -0.26,1036 14.477,1038 8.879,1039 11.109,1041 17.668,1042 8.584,1043 13.092,1044 -0.321,1045 16.328,1046 -0.475,1047 10.159,1048 12.765,1049 0.47,1050 20.21,1051 9.828,1052 3.35,1053 -0.611,1054 18.194,1055 -0.723,1056 11.207,1057 14.159,1059 22.595,1060 10.839,1061 2.873,1062 12.147,1063 20.072,1064 -1.676,1065 12.417,1066 15.74,1067 0.367,1068 25.095,1069 12.014,1070 2.682,1071 9.362,1072 21.959,1073 4.733,1074 13.543,1075 17.218,1077 27.541,1078 13.103,1079 2.351,1080 8.615,1081 23.855,1082 3.897,1083 14.733,1084 18.774,1085 0.283,1086 30.032,1087 14.258,1088 1.995,1089 7.546,1090 25.758,1091 3.252,1092 15.895,1093 20.29,1095 32.506,1096 15.384,1097 1.544,1098 5.747,1099 27.667,1100 3.104,1101 17.084,1102 21.839,1103 0.217,1104 34.996,1105 16.537,1106 1.462,1107 4.255,1108 29.581,1109 2.39,1110 18.264,1111 23.374,1113 37.482,1114 17.68,1115 5013,1116 8592,1117 17.512,1118 25.75,1119 39.121,1120 39.384,1121 41.049,1122 38.838,1123 38.823,1124 51.317,1125 2.52,1126 118.169,1127 36.645,1128 5.764,1129 5.399,1130 6.669,1131 5.385,1132 5.35,1133 7.733,1134 1.72,1135 19.677,1136 5.225,1137 10.231,1138 1.505,1139 1.515,1140 1.579,1141 1.494,1142 1.493,1143 1.974,1144 0.097,1145 4.545,1146 1.409,1147 4.145,1148 4.194,1149 4.125,1150 3.999,1151 6.47,1152 4.023,1153 3.862,1154 3.888,1155 3.812,1156 3.744,1157 5.255,1158 3.758,1159 3.733,1160 3.799,1161 3.632,1162 3.553,1163 4.881,1164 3.563,1165 3.301,1166 3.37,1167 3.221,1168 3.042,1169 4.749,1170 3.075,1171 3.176,1172 3.267,1173 3.026,1174 2.874,1175 4.528,1176 2.895,1177 3,1178 3.103,1179 2.878,1180 2.746,1181 4.37,1182 2.752,1183 2.931,1184 2.971,1185 2.804,1186 2.702,1187 4.204,1188 2.736,1189 2.717,1190 2.789,1191 2.561,1192 2.529,1193 3.693,1194 2.53,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.764,1201 0.182,1202 3.399,1203 0.033,1204 7.051,1205 0.467,1206 4.312,1207 0.124,1208 3.35,1209 4.733,1210 0.86,1211 12.147,1212 3.225,1213 1.925,1214 1.907,1215 2.007,1216 2.078,1217 1.327,1218 2.058,1219 1.845,1220 1.789,1221 1.986,1222 2.014,1223 1.117,1224 2.005,1225 1.687,1226 1.638,1227 1.782,1228 1.881,1229 0.846,1230 1.859,1231 1.241,1232 1.183,1233 1.569,1234 1.543,1235 0.574,1236 1.542,1237 1.099,1238 1.012,1239 1.254,1240 1.427,1241 0.325,1242 1.391,1243 0.883,1244 0.839,1245 1.149,1246 1.211,1247 0.273,1248 1.192,1249 0.87,1250 0.787,1251 1.108,1252 1.138,1253 0.144,1254 1.13,1255 0.774,1256 0.668,1257 1.079,1258 1.072,1259 0.057,1260 1.068,1261 3.97,1263 5.361,1264 2.398,1265 6.938,1266 4.844,1267 8.6,1268 7.081,1269 10.305,1271 1.508,1275 6.054,1276 10.035,1277 1.683,1278 3.22,1279 5.084,1281 0.243,1289 25.192,1290 66.018,1291 158.621,1292 184.621,1293 189.376,1294 189.376,1295 189.376,1296 33.038,1297 7.245,1298 111.11,1299 111.11,1300 21,1301 12.706,1302 4.087,1303 3.17,1304 31.611,1305 67,1306 80,1307 0.234,1308 153.348,1309 251.02,1310 365.93,1311 11601,1313 15.974,1314 0.695,1315 0.544,1316 15.974,1317 12.523,1318 11.186,1319 0.43,1320 0.279,1321 7.096,1322 10.58,1323 6.966,1324 5.746,1325 11.186,1326 7.255,1327 10.123,1328 0.266,1329 0.143,1330 10.123,1331 5.449,1332 9.21,1333 0.167,1334 0.074,1335 9.21,1336 4.076,1337 7.576,1338 0.104,1339 0.035,1340 7.576,1341 2.591,1342 6.113,1343 0.064,1344 0.018,1345 6.113,1346 1.747,1347 0.351,1348 71.451,1349 0.239,1350 21.952,1351 0.697,1352 128,1353 390.111,1354 143.806,1355 375.092,1356 522.19,1357 352,1358 157,1359 398.996,1360 174.777,1361 401.893,1362 594.26,1363 377,1364 5.444}
{0 CHEMBL1242207,1 1.465,2 8.043,3 2.184,4 4.769,5 90.856,6 7.805,7 0.808,8 3.791,9 3.924,10 3.414,11 3.348,12 4.95,13 3.341,14 4.285,15 4.465,16 3.795,17 3.74,18 5.377,19 3.722,20 4.484,21 4.682,22 3.866,23 3.868,24 5.556,25 3.832,26 4.578,27 4.807,28 3.825,29 3.866,30 5.657,31 3.806,32 4.5,33 4.727,34 3.653,35 3.793,36 5.496,37 3.718,38 4.404,39 4.607,40 3.603,41 3.729,42 5.481,43 3.653,44 4.508,45 4.775,46 3.39,47 3.658,48 5.488,49 3.534,50 4.346,51 4.653,52 3.124,53 3.416,54 5.182,55 3.259,56 0.046,57 0.654,58 7.273,59 3.04,60 9,61 4.033,62 0.15,63 1.027,64 13.513,65 5.083,66 16.556,67 6.987,68 0.15,69 1.212,70 17.128,71 6.036,72 17.556,73 8.448,74 0.287,75 1.279,76 20.163,77 6.827,78 32.001,79 9.712,80 0.2,81 1.161,82 18.521,83 6.085,84 23.89,85 8.641,86 0.108,87 1.076,88 15.841,89 5.778,90 21.89,91 8.092,92 0.249,93 1.085,94 20.362,95 6.472,96 37.001,97 9.471,98 0.175,99 0.848,100 18.985,101 6.464,102 24.112,103 9.739,104 11,105 38,106 0.256,107 0.643,108 0.793,109 0.837,110 0.837,111 0.837,112 3.19,113 0.863,114 -4.45,115 -4.38,116 -4.13,118 43.6,119 2,126 1,138 4,139 4,141 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 7,170 2,171 9,172 1,173 1,175 1,178 10,180 1,181 1,182 7,188 7,191 2,192 10,194 3,195 3,197 1,199 5,201 1,204 9,208 2,211 4,213 2,215 8,220 4,223 4,225 4,227 1,228 5,233 2,235 4,237 2,239 1,247 4,251 2,254 1,255 1,264 677,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.264,271 9.487,272 9.059,273 15.964,274 12.838,275 12.838,276 12.838,277 12.838,278 12.838,279 9.221,280 7.5,281 4.27,282 13.349,283 3.82,284 1.611,285 0.757,286 0.5,287 0.5,288 0.5,289 3.888,292 1,293 1,294 1,295 407,296 2.646,299 40.642,300 150.345,303 78.29,304 83.376,307 1.18,308 15.609,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 49,320 185,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.223,330 4.396,331 2.923,332 6.247,333 3.904,334 2.913,335 4.324,337 9.372,338 2.884,339 3.85,340 2.664,341 6.069,342 3.513,343 2.554,344 3.298,346 8.561,347 2.447,348 3.744,349 2.399,350 5.712,351 3.33,352 2.367,353 3.179,355 7.453,356 2.277,357 3.118,358 1.822,359 4.82,360 2.685,361 1.744,362 2.427,364 4.819,365 1.638,366 3.08,367 1.618,368 4.531,369 2.614,370 1.618,371 2.368,373 4.487,374 1.612,375 3.016,376 1.579,377 4.367,378 2.517,379 1.579,380 2.141,382 4.088,383 1.478,384 2.86,385 1.368,386 3.864,387 2.304,388 1.368,389 2.035,391 2.999,392 1.278,393 2.527,394 1.059,395 3.614,396 2.008,397 1.058,398 1.539,400 2.733,401 1.002,402 2.186,403 0.856,404 3.486,405 1.797,406 0.827,407 1.077,409 2.06,410 0.8,411 2.085,412 0.639,413 3.162,414 1.607,415 0.632,416 0.922,417 1.506,418 0.615,419 1.084,420 -0.144,421 2.682,422 0.659,423 -0.273,424 -0.348,425 -0.643,426 -0.251,427 1.03,428 -0.409,429 2.425,430 0.543,431 -0.415,432 -0.587,433 -1.037,434 -0.401,435 0.882,436 -0.618,437 2.262,438 0.357,439 -0.618,440 -0.927,441 -1.598,442 -0.6,443 0.644,444 -0.776,445 2.229,446 0.128,447 -0.811,448 -1,449 -2,450 -0.758,451 10.9,452 0.474,453 0.61,454 0.027,455 34,456 1.478,457 18.5,458 0.804,459 15.5,460 0.674,461 16.146,462 0.702,463 23.3,464 0.597,465 22.993,466 1,467 6.504,468 0.283,469 4.644,470 0.202,471 0.128,473 0.404,478 0.868,479 1.228,480 0.738,481 0.978,482 1.061,483 0.864,484 0.834,485 1.005,486 0.709,487 0.834,488 0.658,489 0.768,490 1.097,491 1.147,492 0.896,493 0.961,494 0.814,495 0.91,496 0.953,497 0.935,498 0.955,499 0.944,500 0.941,501 0.949,502 1.345,503 1.026,504 1.163,505 1.001,506 1.083,507 1.046,508 1.13,509 1.312,510 1.187,511 1.287,512 1.209,513 1.253,514 1.225,515 0.938,516 1.215,517 1.043,518 1.54,519 1.112,520 0.622,521 0.856,522 0.807,523 0.917,524 0.646,525 0.895,526 4,527 0.025,528 2.889,529 1.917,530 1.869,531 0.799,532 0.485,533 0.38,534 0.179,535 0.082,536 5247,537 13392,538 2.141,539 41,541 5,543 3,544 2,546 6,549 1.663,550 2,551 3.014,552 0.321,553 1,554 1,556 1,558 57.134,559 1.465,560 3.675,561 4.529,562 4.785,563 4.785,564 4.785,565 2.442,566 4.437,567 4.497,568 3.132,569 792.408,570 7.773,571 8620.42,572 1,573 1,575 1,576 206.131,577 1.422,578 4.454,579 0.154,580 0.008,581 0.076,582 0.048,583 0.051,584 0.026,585 0.017,586 0.017,587 0.011,588 0.008,589 0.415,590 0.33,591 1,592 0.777,593 104.655,594 0.027,595 -0.08,596 0.059,597 -0.011,598 -0.163,599 0.021,600 0.142,601 0.083,602 0.169,603 0.129,604 0.145,605 0.148,606 -0.091,607 -0.089,608 0.01,609 -0.006,610 0.014,611 0.012,612 0.117,613 0.085,614 0.003,615 0.003,616 0.083,617 -0.01,618 -0.301,619 -0.006,620 -0.216,621 -0.052,622 -0.167,623 -0.108,624 -0.196,625 -0.287,626 -0.28,627 -0.321,628 -0.137,629 -0.314,630 -0.19,631 0.002,632 -0.198,633 -0.081,634 -0.316,635 -0.13,636 0.189,637 -0.047,638 0.279,639 0.121,640 0.244,641 0.196,642 1.216,643 2.106,644 0.826,645 15.981,646 1.001,647 1.13,648 3.218,649 10.356,650 0.688,651 3.296,652 3.664,653 4.007,654 4.344,655 4.625,656 4.745,657 4.868,658 5.024,659 5.106,660 5.106,661 4.96,662 0.661,663 304.39,664 3.296,665 4.86,666 5.746,667 6.658,668 7.567,669 8.486,670 9.403,671 10.325,672 11.245,673 12.17,674 15.4,678 1,682 1,684 4,689 4,690 7,691 4,695 3,696 1,697 21,708 1,716 39,718 21,719 1,720 26,722 42,723 17,724 14,725 3,726 3,728 4,729 6,732 2,738 1,740 14,741 3,756 1,757 1,760 16,761 5,762 2,763 6,769 6,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 23,828 1,837 1,858 11.5,859 7.75,860 4.944,861 2.358,863 4.316,864 1.577,865 1.034,866 3.154,867 11.795,868 3.624,869 4.341,870 5.068,871 5.772,872 6.396,873 6.819,874 7.316,875 7.841,876 8.264,877 8.596,878 1,879 40,880 8.434,881 3.617,882 7.63,883 16.169,884 13.441,885 2.13,886 49,890 164.795,891 99.973,892 101.693,897 99.973,898 164.795,899 101.693,900 17.65,902 70.802,903 104.048,904 42.151,905 2.328,906 129.482,908 164.795,909 201.667,913 94.169,914 70.627,917 50.612,918 84.035,919 67.02,921 164.795,922 101.693,923 99.973,926 164.795,927 17.704,928 84.045,930 99.917,931 164.795,932 101.693,933 99.973,935 0.591,936 0.357,937 0.206,938 0.119,939 21,940 9,941 0.048,942 2,943 2,944 1.211,945 3.435,946 199.866,947 0.211,948 19,949 102.042,954 13.951,955 5.2,956 2.202,957 3.764,958 99.917,959 13.265,960 17.395,964 2.256,965 1.888,966 32.897,967 366.462,968 36.5,980 39.029,981 44.066,983 0.277,984 0.695,985 0.857,986 0.905,987 0.905,988 0.905,989 4.862,990 1.368,991 5.753,992 4.088,993 4.344,994 5.027,996 6.632,997 4.273,998 6.113,999 1.058,1000 7.352,1001 2.999,1002 4.007,1003 4.956,1005 7.667,1006 3.92,1007 7.453,1008 0.827,1009 9.055,1010 2.733,1011 5.994,1012 7.398,1014 10.825,1015 5.865,1016 8.836,1017 0.632,1018 10.819,1019 2.06,1020 6.494,1021 8.195,1023 12.713,1024 6.347,1025 10.255,1026 -0.273,1027 12.622,1028 1.506,1029 7.967,1030 10.095,1032 15.399,1033 7.784,1034 11.699,1035 -0.415,1036 14.453,1037 -0.643,1038 8.846,1039 11.297,1041 17.635,1042 8.638,1043 13.165,1044 -0.618,1045 16.304,1046 -1.037,1047 10.125,1048 12.976,1050 20.172,1051 9.884,1052 3.339,1053 -0.811,1054 18.169,1055 -1.598,1056 11.175,1057 14.365,1059 22.553,1060 10.903,1061 2.913,1062 12.088,1063 20.047,1064 -2,1065 12.385,1066 15.954,1068 25.048,1069 12.08,1070 2.554,1071 9.372,1072 21.934,1073 4.737,1074 13.51,1075 17.426,1077 27.49,1078 13.171,1079 2.367,1080 8.561,1081 23.83,1082 4.324,1083 14.7,1084 18.982,1086 29.975,1087 14.327,1088 1.744,1089 7.453,1090 25.732,1091 3.298,1092 15.861,1093 20.49,1095 32.444,1096 15.452,1097 1.618,1098 4.819,1099 27.64,1100 3.179,1101 17.047,1102 22.034,1104 34.929,1105 16.602,1106 1.579,1107 4.487,1108 29.553,1109 2.427,1110 18.225,1111 23.56,1113 37.41,1114 17.743,1115 4990,1116 8097,1117 17.512,1118 26.841,1119 40.362,1120 39.93,1121 41.515,1122 40.009,1123 39.997,1124 56.095,1126 120.33,1127 38.506,1128 5.429,1129 5.376,1130 6.727,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.223,1137 10.072,1138 1.552,1139 1.536,1140 1.597,1141 1.539,1142 1.538,1143 2.157,1145 4.628,1146 1.481,1147 4.158,1148 4.199,1149 4.136,1150 4.062,1151 5.257,1152 4.071,1153 3.991,1154 4.029,1155 3.956,1156 3.863,1157 4.987,1158 3.886,1159 3.578,1160 3.656,1161 3.445,1162 3.414,1163 4.852,1164 3.404,1165 3.431,1166 3.485,1167 3.362,1168 3.292,1169 4.538,1170 3.303,1171 3.154,1172 3.241,1173 3.046,1174 2.986,1175 4.363,1176 2.989,1177 3.025,1178 3.114,1179 2.907,1180 2.814,1181 4.054,1182 2.837,1183 2.958,1184 3.041,1185 2.845,1186 2.673,1187 3.873,1188 2.709,1189 2.874,1190 3.009,1191 2.499,1192 2.618,1193 3.687,1194 2.57,1195 0.183,1196 0.13,1197 0.271,1198 0.166,1199 0.128,1200 4.762,1201 0.182,1202 3.376,1204 7.039,1205 0.465,1206 4.303,1207 0.124,1208 3.339,1209 4.737,1211 12.088,1212 3.223,1213 2.056,1214 2.036,1215 2.128,1216 2.125,1217 1.26,1218 2.128,1219 1.825,1220 1.782,1221 1.948,1222 2.02,1223 1.145,1224 1.993,1225 1.645,1226 1.58,1227 1.805,1228 1.845,1229 0.897,1230 1.842,1231 1.406,1232 1.353,1233 1.56,1234 1.578,1235 0.567,1236 1.578,1237 1.117,1238 1.062,1239 1.417,1240 1.361,1241 0.469,1242 1.343,1243 0.965,1244 0.883,1245 1.295,1246 1.239,1247 0.355,1248 1.308,1249 0.934,1250 0.804,1251 1.201,1252 1.221,1253 0.101,1254 1.233,1255 0.797,1256 0.726,1257 1.015,1258 1.123,1259 0.027,1260 1.109,1261 3.97,1263 5.323,1264 2.398,1265 6.884,1266 4.844,1267 8.542,1268 7.081,1269 10.249,1271 4.14,1275 6.106,1281 0.185,1289 25.762,1290 57.134,1291 143.318,1292 176.621,1293 186.621,1294 186.621,1295 186.621,1296 27.353,1297 7.478,1298 82.51,1299 82.51,1300 23,1301 12.676,1302 4.459,1303 3.524,1304 31.639,1305 67,1306 68,1307 0.235,1308 158.686,1309 251.86,1310 378.953,1311 16621,1313 15.974,1314 0.695,1315 0.562,1316 15.974,1317 12.932,1318 11.148,1319 0.429,1320 0.288,1321 7.382,1322 10.749,1323 7.149,1324 5.975,1325 11.148,1326 7.478,1327 10.335,1328 0.272,1329 0.152,1330 10.335,1331 5.782,1332 8.979,1333 0.166,1334 0.073,1335 8.979,1336 3.921,1337 7.939,1338 0.104,1339 0.037,1340 7.939,1341 2.788,1342 6.765,1343 0.067,1344 0.019,1345 6.765,1346 1.962,1347 0.352,1348 69.53,1349 0.239,1350 21.912,1351 0.697,1352 128,1353 339.538,1354 138.824,1355 340.188,1356 485.71,1357 320,1358 156,1359 383.406,1360 168.129,1361 390.739,1362 575.64,1363 368,1364 4.921}
{0 CHEMBL1242208,1 1.465,2 8.043,3 2.184,4 4.769,5 90.856,6 7.805,7 0.808,8 3.791,9 3.924,10 3.414,11 3.348,12 4.95,13 3.341,14 4.285,15 4.465,16 3.795,17 3.74,18 5.377,19 3.722,20 4.484,21 4.682,22 3.866,23 3.868,24 5.556,25 3.832,26 4.578,27 4.807,28 3.825,29 3.866,30 5.656,31 3.806,32 4.5,33 4.726,34 3.657,35 3.787,36 5.501,37 3.713,38 4.407,39 4.617,40 3.606,41 3.715,42 5.494,43 3.641,44 4.487,45 4.751,46 3.392,47 3.639,48 5.475,49 3.519,50 4.337,51 4.646,52 3.13,53 3.4,54 5.211,55 3.244,56 0.046,57 0.654,58 7.273,59 3.04,60 9,61 4.033,62 0.15,63 1.027,64 13.513,65 5.083,66 16.556,67 6.987,68 0.15,69 1.212,70 17.128,71 6.036,72 17.556,73 8.448,74 0.287,75 1.279,76 20.163,77 6.827,78 31.667,79 9.712,80 0.19,81 1.163,82 18.485,83 6.084,84 23.779,85 8.655,86 0.146,87 1.079,88 16.143,89 5.685,90 24.112,91 7.995,92 0.236,93 1.071,94 19.808,95 6.281,96 34.667,97 9.192,98 0.226,99 0.844,100 18.901,101 6.414,102 29.778,103 9.639,104 11,105 38,106 0.256,107 0.643,108 0.793,109 0.837,110 0.837,111 0.837,112 3.19,113 0.863,114 -4.45,115 -4.38,116 -4.13,118 43.6,119 2,126 1,138 4,139 4,141 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 7,170 2,171 9,172 1,173 1,175 1,178 10,180 1,181 1,182 7,188 7,191 2,192 10,194 3,195 3,197 1,199 5,201 1,204 8,208 2,211 3,213 2,214 1,215 9,220 4,223 5,225 4,227 1,228 3,233 1,235 4,237 1,239 2,240 2,242 1,243 1,245 1,247 2,249 1,252 2,260 2,264 677,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.264,271 9.487,272 9.059,273 15.964,274 12.838,275 12.838,276 12.838,277 12.838,278 12.838,279 9.221,280 7.5,281 4.27,282 13.349,283 3.82,284 1.611,285 0.757,286 0.5,287 0.5,288 0.5,289 3.888,292 1,293 1,294 1,295 407,296 2.646,299 40.642,300 150.345,303 78.29,304 83.376,307 1.18,308 15.681,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 49,320 185,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.223,330 4.396,331 2.923,332 6.247,333 3.904,334 2.913,335 4.324,337 9.372,338 2.883,339 3.85,340 2.664,341 6.069,342 3.513,343 2.554,344 3.298,346 8.561,347 2.448,348 3.744,349 2.399,350 5.712,351 3.331,352 2.367,353 3.179,355 7.453,356 2.278,357 3.118,358 1.822,359 4.82,360 2.685,361 1.744,362 2.427,364 4.819,365 1.638,366 3.08,367 1.618,368 4.531,369 2.606,370 1.618,371 2.368,373 4.487,374 1.599,375 3.016,376 1.579,377 4.367,378 2.522,379 1.579,380 2.141,382 4.088,383 1.484,384 2.86,385 1.368,386 3.864,387 2.31,388 1.368,389 2.035,391 2.999,392 1.285,393 2.527,394 1.059,395 3.614,396 2.006,397 1.058,398 1.539,400 2.733,401 1.001,402 2.186,403 0.856,404 3.486,405 1.795,406 0.827,407 1.077,409 2.06,410 0.798,411 2.085,412 0.639,413 3.162,414 1.607,415 0.632,416 0.922,417 1.506,418 0.615,419 1.084,420 -0.144,421 2.682,422 0.658,423 -0.273,424 -0.348,425 -0.643,426 -0.251,427 1.03,428 -0.409,429 2.425,430 0.54,431 -0.415,432 -0.587,433 -1.037,434 -0.399,435 0.882,436 -0.618,437 2.262,438 0.367,439 -0.618,440 -0.927,441 -1.598,442 -0.608,443 0.644,444 -0.776,445 2.229,446 0.126,447 -0.811,448 -1,449 -2,450 -0.756,451 10.9,452 0.474,453 0.61,454 0.027,455 34,456 1.478,457 18.5,458 0.804,459 15.5,460 0.674,461 16.139,462 0.702,463 23.3,464 0.597,465 23.001,466 1,467 6.504,468 0.283,469 4.644,470 0.202,471 0.128,473 0.404,478 0.868,479 1.228,480 0.738,481 0.978,482 1.061,483 0.864,484 0.834,485 1.005,486 0.709,487 0.834,488 0.658,489 0.768,490 1.097,491 1.147,492 0.896,493 0.961,494 0.814,495 0.91,496 0.953,497 0.935,498 0.955,499 0.944,500 0.948,501 0.949,502 1.326,503 1.074,504 1.156,505 1.033,506 1.068,507 1.063,508 1.148,509 1.239,510 1.172,511 1.224,512 1.22,513 1.206,514 1.23,515 0.991,516 1.215,517 1.073,518 1.571,519 1.129,520 0.536,521 0.733,522 0.792,523 0.867,524 0.603,525 0.867,526 4,527 0.025,528 2.889,529 1.917,530 1.869,531 0.799,532 0.485,533 0.38,534 0.179,535 0.082,536 5247,537 13296,538 2.141,539 41,541 5,543 3,544 2,546 6,549 1.663,550 2,551 3.014,552 0.321,553 1,554 1,556 1,558 57.134,559 1.465,560 3.675,561 4.529,562 4.785,563 4.785,564 4.785,565 2.442,566 4.437,567 4.497,568 3.132,569 792.408,570 7.773,571 8620.42,572 1,573 1,575 1,576 206.131,577 1.422,578 4.454,579 0.154,580 0.008,581 0.076,582 0.048,583 0.051,584 0.026,585 0.017,586 0.017,587 0.011,588 0.008,589 0.415,590 0.33,591 1,592 0.777,593 104.655,594 0.027,595 -0.08,596 0.059,597 -0.011,598 -0.163,599 0.021,600 0.142,601 0.083,602 0.169,603 0.129,604 0.145,605 0.148,606 -0.091,607 -0.089,608 0.01,609 -0.006,610 0.014,611 0.012,612 0.117,613 0.085,614 0.003,615 0.003,616 0.076,617 -0.01,618 -0.282,619 -0.056,620 -0.208,621 -0.084,622 -0.151,623 -0.126,624 -0.15,625 -0.21,626 -0.252,627 -0.271,628 -0.106,629 -0.275,630 -0.182,631 -0.044,632 -0.201,633 -0.115,634 -0.335,635 -0.152,636 0.314,637 0.084,638 0.3,639 0.163,640 0.335,641 0.217,642 1.219,643 2.104,644 0.826,645 15.981,646 1.001,647 1.13,648 3.218,649 10.356,650 0.688,651 3.296,652 3.664,653 4.007,654 4.344,655 4.625,656 4.745,657 4.868,658 5.024,659 5.106,660 5.106,661 4.96,662 0.661,663 304.39,664 3.296,665 4.86,666 5.746,667 6.658,668 7.567,669 8.486,670 9.403,671 10.325,672 11.245,673 12.17,674 15.4,678 1,682 1,684 4,689 4,690 7,691 4,695 3,696 1,697 21,708 1,716 39,718 21,719 1,720 26,722 42,723 17,724 14,725 3,726 3,728 4,729 6,732 2,738 1,740 14,741 3,756 1,757 1,760 16,761 5,762 2,763 6,769 6,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 23,828 1,837 1,858 11.5,859 7.75,860 4.944,861 2.358,863 4.316,864 1.577,865 1.034,866 3.154,867 11.795,868 3.624,869 4.341,870 5.068,871 5.772,872 6.396,873 6.819,874 7.316,875 7.841,876 8.264,877 8.596,878 1,879 40,880 8.435,881 3.617,882 7.63,883 16.169,884 13.441,885 2.13,886 49,890 164.795,891 99.973,892 101.693,897 99.973,898 164.795,899 101.693,900 17.65,902 70.802,903 104.048,904 42.151,905 2.328,906 129.482,908 164.795,909 201.667,913 94.169,914 70.627,917 50.612,918 84.035,919 67.02,921 164.795,922 101.693,923 99.973,926 164.795,927 17.704,928 84.045,930 99.917,931 164.795,932 101.693,933 99.973,935 0.591,936 0.357,937 0.206,938 0.119,939 21,940 9,941 0.048,942 2,943 2,944 1.211,945 3.435,946 199.866,947 0.211,948 19,949 102.042,954 13.951,955 5.2,956 2.202,957 3.756,958 99.917,959 13.278,960 17.425,964 2.233,965 1.885,966 32.897,967 366.462,968 36.5,980 39.029,981 44.066,983 0.277,984 0.695,985 0.857,986 0.905,987 0.905,988 0.905,989 4.862,990 1.368,991 5.753,992 4.088,993 4.344,994 5.027,996 6.632,997 4.273,998 6.113,999 1.058,1000 7.352,1001 2.999,1002 4.007,1003 4.956,1005 7.667,1006 3.92,1007 7.453,1008 0.827,1009 9.055,1010 2.733,1011 5.994,1012 7.398,1014 10.825,1015 5.865,1016 8.836,1017 0.632,1018 10.819,1019 2.06,1020 6.494,1021 8.195,1023 12.713,1024 6.347,1025 10.255,1026 -0.273,1027 12.622,1028 1.506,1029 7.967,1030 10.095,1032 15.399,1033 7.784,1034 11.699,1035 -0.415,1036 14.453,1037 -0.643,1038 8.846,1039 11.297,1041 17.635,1042 8.638,1043 13.165,1044 -0.618,1045 16.304,1046 -1.037,1047 10.125,1048 12.976,1050 20.172,1051 9.884,1052 3.339,1053 -0.811,1054 18.169,1055 -1.598,1056 11.175,1057 14.365,1059 22.553,1060 10.903,1061 2.913,1062 12.088,1063 20.047,1064 -2,1065 12.385,1066 15.954,1068 25.048,1069 12.08,1070 2.554,1071 9.372,1072 21.934,1073 4.737,1074 13.51,1075 17.426,1077 27.49,1078 13.171,1079 2.367,1080 8.561,1081 23.83,1082 4.324,1083 14.7,1084 18.982,1086 29.975,1087 14.327,1088 1.744,1089 7.453,1090 25.732,1091 3.298,1092 15.861,1093 20.49,1095 32.444,1096 15.451,1097 1.618,1098 4.819,1099 27.64,1100 3.179,1101 17.047,1102 22.034,1104 34.929,1105 16.602,1106 1.579,1107 4.487,1108 29.553,1109 2.427,1110 18.225,1111 23.56,1113 37.41,1114 17.743,1115 4990,1116 8071,1117 17.512,1118 26.841,1119 40.362,1120 39.93,1121 41.515,1122 40.008,1123 39.997,1124 56.095,1126 120.33,1127 38.507,1128 5.429,1129 5.376,1130 6.727,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.223,1137 10.072,1138 1.552,1139 1.536,1140 1.597,1141 1.539,1142 1.538,1143 2.157,1145 4.628,1146 1.481,1147 4.158,1148 4.199,1149 4.136,1150 4.061,1151 5.258,1152 4.071,1153 3.991,1154 4.029,1155 3.956,1156 3.863,1157 4.987,1158 3.886,1159 3.578,1160 3.656,1161 3.445,1162 3.414,1163 4.851,1164 3.405,1165 3.431,1166 3.486,1167 3.363,1168 3.292,1169 4.537,1170 3.304,1171 3.143,1172 3.235,1173 3.037,1174 2.951,1175 4.367,1176 2.953,1177 3.029,1178 3.109,1179 2.91,1180 2.866,1181 4.061,1182 2.883,1183 2.974,1184 3.06,1185 2.855,1186 2.677,1187 3.853,1188 2.715,1189 2.874,1190 3.009,1191 2.499,1192 2.618,1193 3.679,1194 2.57,1195 0.183,1196 0.13,1197 0.271,1198 0.166,1199 0.128,1200 4.762,1201 0.182,1202 3.376,1204 7.039,1205 0.465,1206 4.303,1207 0.124,1208 3.339,1209 4.737,1211 12.088,1212 3.223,1213 2.056,1214 2.036,1215 2.128,1216 2.125,1217 1.26,1218 2.128,1219 1.825,1220 1.782,1221 1.948,1222 2.02,1223 1.145,1224 1.993,1225 1.646,1226 1.581,1227 1.806,1228 1.846,1229 0.899,1230 1.843,1231 1.406,1232 1.353,1233 1.557,1234 1.578,1235 0.566,1236 1.578,1237 1.08,1238 1.021,1239 1.417,1240 1.357,1241 0.469,1242 1.335,1243 1.009,1244 0.94,1245 1.279,1246 1.239,1247 0.334,1248 1.308,1249 0.934,1250 0.804,1251 1.217,1252 1.211,1253 0.172,1254 1.228,1255 0.823,1256 0.742,1257 1.07,1258 1.141,1259 0.032,1260 1.134,1261 3.97,1263 5.323,1264 2.398,1265 6.884,1266 4.844,1267 8.542,1268 7.081,1269 10.249,1271 4.137,1275 6.104,1281 0.183,1289 25.762,1290 57.134,1291 143.318,1292 176.621,1293 186.621,1294 186.621,1295 186.621,1296 27.414,1297 7.478,1298 82.51,1299 82.51,1300 23,1301 12.676,1302 4.459,1303 3.524,1304 31.639,1305 67,1306 68,1307 0.235,1308 158.686,1309 251.86,1310 378.953,1311 16621,1313 15.974,1314 0.695,1315 0.562,1316 15.974,1317 12.932,1318 11.148,1319 0.429,1320 0.288,1321 7.382,1322 10.749,1323 7.149,1324 5.975,1325 11.148,1326 7.478,1327 10.335,1328 0.272,1329 0.152,1330 10.335,1331 5.782,1332 8.979,1333 0.166,1334 0.073,1335 8.979,1336 3.921,1337 7.939,1338 0.104,1339 0.037,1340 7.939,1341 2.79,1342 6.765,1343 0.067,1344 0.019,1345 6.765,1346 1.956,1347 0.352,1348 69.53,1349 0.239,1350 21.912,1351 0.697,1352 128,1353 339.538,1354 138.824,1355 340.188,1356 485.71,1357 320,1358 156,1359 383.406,1360 168.129,1361 390.739,1362 575.64,1363 368,1364 4.921}
{0 CHEMBL1242209,1 1.449,2 8.125,3 2.895,4 8.381,5 95.076,6 7.581,7 0.778,8 3.854,9 3.989,10 3.452,11 3.408,12 4.987,13 3.393,14 4.36,15 4.547,16 3.848,17 3.795,18 5.435,19 3.771,20 4.555,21 4.758,22 3.918,23 3.92,24 5.631,25 3.886,26 4.646,27 4.875,28 3.875,29 3.937,30 5.707,31 3.872,32 4.582,33 4.808,34 3.718,35 3.878,36 5.569,37 3.794,38 4.504,39 4.716,40 3.674,41 3.81,42 5.555,43 3.725,44 4.58,45 4.847,46 3.48,47 3.73,48 5.571,49 3.603,50 4.435,51 4.743,52 3.259,53 3.506,54 5.266,55 3.367,56 0.05,57 0.693,58 8.25,59 3.376,60 9.154,61 4.603,62 0.145,63 1.093,64 15.324,65 5.672,66 17.557,67 8.033,68 0.189,69 1.3,70 19.172,71 6.22,72 22.579,73 9,74 0.302,75 1.36,76 22.054,77 7.399,78 33.972,79 10.717,80 0.218,81 1.253,82 20.513,83 6.895,84 26.337,85 9.982,86 0.137,87 1.174,88 18.394,89 6.609,90 23.826,91 9.511,92 0.285,93 1.167,94 22.052,95 7.109,96 41.867,97 10.553,98 0.18,99 0.934,100 20.564,101 6.624,102 25.824,103 10.15,104 18,105 40,106 0.25,107 0.638,108 0.775,109 0.823,110 0.831,111 0.831,112 3.23,113 0.879,114 -4.69,115 -4.6,116 -4.33,118 42.9,119 3,126 1,138 5,139 3,142 3,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 11,172 1,173 1,175 1,178 9,180 1,181 1,182 8,188 8,191 2,192 8,194 3,195 3,197 1,199 8,201 1,203 1,204 7,208 2,211 6,213 2,214 1,215 6,220 3,223 6,225 3,227 2,228 5,230 1,231 1,233 1,235 4,237 1,240 6,245 1,247 2,249 1,252 4,257 2,260 2,262 2,264 756,265 16.085,266 16.085,267 16.085,268 16.085,269 16.085,270 13.687,271 11.912,272 9.195,273 16.411,274 13.321,275 13.321,276 13.321,277 13.321,278 13.321,279 9.634,280 8.971,281 4.348,282 13.848,283 3.944,284 1.693,285 0.902,286 0.625,287 0.578,288 0.578,289 3.925,292 1,293 1,294 1,295 426,296 2.739,299 43.372,300 159.679,303 83.425,304 88.462,307 1.219,308 16.734,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51,320 195,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.222,330 4.427,331 2.976,332 6.264,333 3.927,334 2.949,335 4.36,337 9.456,338 2.882,339 3.871,340 2.679,341 6.081,342 3.527,343 2.568,344 3.34,346 8.602,347 2.462,348 3.763,349 2.48,350 5.717,351 3.361,352 2.4,353 3.188,355 7.474,356 2.304,357 3.503,358 2.244,359 4.961,360 3.077,361 2.103,362 2.895,364 5.821,365 2.046,366 3.1,367 1.821,368 4.82,369 2.684,370 1.743,371 2.399,373 4.819,374 1.638,375 3.025,376 1.601,377 4.535,378 2.573,379 1.601,380 2.225,382 4.487,383 1.554,384 2.97,385 1.493,386 4.334,387 2.438,388 1.486,389 2.126,391 3.963,392 1.41,393 2.543,394 1.08,395 3.861,396 2.023,397 1.074,398 1.562,400 2.764,401 1.016,402 2.238,403 0.875,404 3.493,405 1.824,406 0.848,407 1.134,409 2.093,410 0.826,411 2.1,412 0.726,413 3.282,414 1.668,415 0.694,416 0.971,417 1.71,418 0.675,419 1.176,420 -0.011,421 2.713,422 0.769,423 -0.21,424 -0.275,425 -0.493,426 -0.204,427 1.07,428 -0.148,429 2.433,430 0.639,431 -0.286,432 -0.367,433 -0.678,434 -0.263,435 1.016,436 -0.422,437 2.395,438 0.526,439 -0.434,440 -0.614,441 -1.237,442 -0.418,443 0.645,444 -0.774,445 2.264,446 0.132,447 -0.809,448 -1,449 -2,450 -0.756,451 11.4,452 0.475,453 0.716,454 0.03,455 34.5,456 1.438,457 18.5,458 0.771,459 16,460 0.667,461 18.214,462 0.759,463 24.6,464 0.586,465 23.889,466 0.995,467 6.554,468 0.273,469 4.988,470 0.208,471 0.167,473 0.43,478 0.861,479 1.243,480 0.765,481 1.005,482 1.104,483 0.895,484 0.761,485 1.083,486 0.656,487 0.863,488 0.571,489 0.766,490 1.297,491 1.142,492 0.943,493 0.914,494 0.965,495 0.885,496 0.983,497 0.94,498 0.963,499 0.941,500 0.966,501 0.948,502 1.237,503 1.026,504 1.146,505 1.038,506 1.029,507 1.072,508 1.029,509 1.292,510 1.134,511 1.269,512 1.156,513 1.225,514 1.086,515 0.935,516 1.162,517 1.06,518 1.453,519 1.11,520 0.835,521 0.884,522 0.786,523 0.823,524 0.718,525 0.802,526 5,527 0.037,528 3.111,529 2.104,530 2.06,531 0.882,532 0.566,533 0.38,534 0.285,535 0.141,536 5834,537 14103,538 2.11,539 42.9,541 6,543 1,544 2,545 3,546 6,549 1.675,550 1.946,551 3.048,552 0.296,553 1,554 1,556 1,558 60.85,559 1.449,560 3.7,561 4.491,562 4.767,563 4.815,564 4.815,565 2.44,566 4.502,567 4.559,568 3.184,569 878.75,570 7.895,571 9900.58,572 1,573 1,575 1,576 226.477,577 1.483,578 4.504,579 0.185,580 0.006,581 0.078,582 0.05,583 0.053,584 0.027,585 0.018,586 0.016,587 0.014,588 0.01,589 0.457,590 0.33,591 1,592 0.813,593 111.138,594 0.042,595 -0.078,596 0.061,597 -0.013,598 -0.192,599 0.02,600 0.22,601 0.003,602 0.248,603 0.116,604 0.243,605 0.173,606 -0.155,607 -0.047,608 -0.016,609 0.023,610 -0.042,611 0.023,612 0.11,613 0.097,614 -0.004,615 0.009,616 0.072,617 -0.009,618 -0.204,619 0.005,620 -0.2,621 -0.078,622 -0.121,623 -0.128,624 -0.081,625 -0.265,626 -0.209,627 -0.294,628 -0.081,629 -0.274,630 -0.03,631 0.021,632 -0.157,633 -0.105,634 -0.205,635 -0.141,636 0.065,637 -0.042,638 0.275,639 0.176,640 0.173,641 0.24,642 1.223,643 2.125,644 0.792,645 17.125,646 0.998,647 1.131,648 3.456,649 11.942,650 0.681,651 3.332,652 3.714,653 4.043,654 4.382,655 4.673,656 4.804,657 4.913,658 5.088,659 5.193,660 5.215,661 5.15,662 0.65,663 318.42,664 3.332,665 4.905,666 5.79,667 6.706,668 7.613,669 8.535,670 9.451,671 10.375,672 11.294,673 12.219,674 14.3,678 1,682 1,684 4,689 4,690 6,691 4,695 4,696 1,697 21,708 1,716 42,718 21,719 1,720 27,722 45,723 18,724 14,725 3,726 3,728 4,729 6,732 3,738 1,740 14,741 4,756 1,757 1,760 18,761 5,762 2,763 6,769 6,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 3,827 24,828 1,837 1,858 12.333,859 8.667,860 5.111,861 2.575,863 4.312,864 1.568,865 1.025,866 3.38,867 11.898,868 3.651,869 4.379,870 5.096,871 5.803,872 6.437,873 6.873,874 7.355,875 7.894,876 8.332,877 8.68,878 1,879 42,880 8.816,881 3.772,882 7.611,883 16.943,884 14.067,885 2.111,886 50.667,889 1,890 188.338,891 102.508,892 101.693,897 102.508,898 188.338,899 101.693,900 26.476,902 80.278,903 80.506,904 26.384,905 2.328,906 176.567,908 188.338,909 204.201,913 117.711,914 70.627,917 46.244,918 90.938,919 67.02,921 188.338,922 101.693,923 102.508,926 188.338,927 20.032,928 84.252,930 99.917,931 188.338,932 101.693,933 102.508,935 0.597,936 0.355,937 0.202,938 0.12,939 22,940 10,941 0.044,942 2,943 2,944 1.211,945 3.488,946 211.984,947 0.211,948 19,949 108.039,954 14.888,955 5.448,956 2.407,957 3.583,958 99.917,959 11.699,960 17.885,964 3.188,965 1.885,966 32.897,967 392.539,968 37.5,980 41.912,981 47.481,983 0.269,984 0.686,985 0.833,986 0.884,987 0.893,988 0.893,989 4.9,990 1.486,991 5.808,992 4.487,993 4.394,994 5.066,996 6.688,997 4.322,998 6.161,999 1.074,1000 7.41,1001 3.963,1002 4.111,1003 5.047,1005 7.716,1006 4.011,1007 7.507,1008 0.848,1009 9.112,1010 2.764,1011 6.052,1012 7.441,1014 10.864,1015 5.914,1016 8.893,1017 0.694,1018 10.872,1019 2.093,1020 6.567,1021 8.254,1023 12.736,1024 6.399,1025 10.311,1026 -0.21,1027 12.67,1028 1.71,1029 8.019,1030 10.133,1032 15.422,1033 7.818,1034 11.754,1035 -0.286,1036 14.494,1037 -0.493,1038 8.899,1039 11.339,1041 17.649,1042 8.665,1043 13.217,1044 -0.434,1045 16.338,1046 -0.678,1047 10.169,1048 13.009,1050 20.186,1051 9.903,1052 3.339,1053 -0.809,1054 18.199,1055 -1.237,1056 11.216,1057 14.399,1059 22.563,1060 10.916,1061 2.949,1062 12.088,1063 20.072,1064 -2,1065 12.422,1066 15.985,1068 25.057,1069 12.089,1070 2.568,1071 9.456,1072 21.955,1073 4.737,1074 13.545,1075 17.457,1077 27.497,1078 13.177,1079 2.4,1080 8.602,1081 23.847,1082 4.36,1083 14.732,1084 19.011,1086 29.982,1087 14.329,1088 2.103,1089 7.474,1090 25.747,1091 3.34,1092 15.891,1093 20.52,1095 32.449,1096 15.452,1097 1.743,1098 5.821,1099 27.654,1100 3.188,1101 17.075,1102 22.063,1104 34.934,1105 16.601,1106 1.601,1107 4.819,1108 29.565,1109 2.895,1110 18.251,1111 23.589,1113 37.413,1114 17.741,1115 5584,1116 8825,1117 17.918,1118 28.603,1119 42.048,1120 41.497,1121 43.589,1122 41.627,1123 41.611,1124 57.874,1126 126.555,1127 40.07,1128 5.431,1129 5.376,1130 6.567,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.222,1137 12.134,1138 1.557,1139 1.537,1140 1.614,1141 1.542,1142 1.541,1143 2.143,1145 4.687,1146 1.484,1147 4.159,1148 4.2,1149 4.138,1150 4.056,1151 5.258,1152 4.068,1153 3.996,1154 4.036,1155 3.964,1156 3.865,1157 4.984,1158 3.888,1159 3.58,1160 3.657,1161 3.445,1162 3.441,1163 4.847,1164 3.432,1165 3.518,1166 3.569,1167 3.434,1168 3.386,1169 4.525,1170 3.386,1171 3.199,1172 3.282,1173 3.089,1174 3.019,1175 4.327,1176 3.025,1177 3.047,1178 3.145,1179 2.914,1180 2.827,1181 4.064,1182 2.843,1183 2.963,1184 3.059,1185 2.846,1186 2.747,1187 3.932,1188 2.74,1189 2.896,1190 3.009,1191 2.718,1192 2.673,1193 3.705,1194 2.701,1195 0.176,1196 0.125,1197 0.261,1198 0.159,1199 0.124,1200 4.762,1201 0.175,1202 3.376,1204 7.039,1205 0.448,1206 4.303,1207 0.119,1208 3.339,1209 4.737,1211 12.088,1212 3.222,1213 2.051,1214 2.029,1215 2.123,1216 2.13,1217 1.247,1218 2.129,1219 1.828,1220 1.785,1221 1.949,1222 2.021,1223 1.145,1224 1.993,1225 1.658,1226 1.597,1227 1.824,1228 1.851,1229 0.928,1230 1.849,1231 1.505,1232 1.452,1233 1.706,1234 1.659,1235 0.771,1236 1.681,1237 1.183,1238 1.117,1239 1.425,1240 1.409,1241 0.487,1242 1.409,1243 0.986,1244 0.901,1245 1.417,1246 1.288,1247 0.469,1248 1.308,1249 0.934,1250 0.836,1251 1.221,1252 1.239,1253 0.218,1254 1.295,1255 0.904,1256 0.804,1257 1.163,1258 1.143,1259 0.149,1260 1.143,1261 4.007,1263 5.371,1264 2.398,1265 6.934,1266 4.844,1267 8.592,1268 7.081,1269 10.3,1271 6.125,1275 6.125,1281 0.177,1289 27.289,1290 60.85,1291 155.384,1292 188.603,1293 200.213,1294 202.213,1295 202.213,1296 29.942,1297 7.586,1298 82.51,1299 82.51,1300 23,1301 12.726,1302 4.459,1303 3.524,1304 33.653,1305 73,1306 72,1307 0.23,1308 168.278,1309 269.16,1310 402.359,1311 18888,1313 16.845,1314 0.702,1315 0.577,1316 16.845,1317 13.855,1318 11.542,1319 0.427,1320 0.293,1321 7.815,1322 11.15,1323 7.515,1324 6.299,1325 11.542,1326 7.908,1327 10.968,1328 0.274,1329 0.155,1330 10.968,1331 6.205,1332 9.315,1333 0.166,1334 0.073,1335 9.315,1336 4.112,1337 8.195,1338 0.104,1339 0.037,1340 8.195,1341 2.924,1342 7.031,1343 0.066,1344 0.02,1345 7.031,1346 2.09,1347 0.346,1348 71.801,1349 0.236,1350 22.746,1351 0.676,1352 134,1353 347.538,1354 145.49,1355 348.752,1356 500.04,1357 328,1358 163,1359 398.11,1360 175.628,1361 405.396,1362 597.98,1363 382,1364 5.42}
{0 CHEMBL1242285,1 1.752,2 6.619,3 2.907,4 8.451,5 85.88,6 9.949,7 0.696,8 3.687,9 3.809,10 3.494,11 3.235,12 4.891,13 3.224,14 4.163,15 4.332,16 3.945,17 3.628,18 5.33,19 3.601,20 4.376,21 4.558,22 4.008,23 3.748,24 5.524,25 3.702,26 4.455,27 4.674,28 4.132,29 3.747,30 5.633,31 3.697,32 4.373,33 4.565,34 3.913,35 3.706,36 5.507,37 3.63,38 4.323,39 4.511,40 3.968,41 3.66,42 5.487,43 3.575,44 4.412,45 4.665,46 3.947,47 3.54,48 5.589,49 3.386,50 4.191,51 4.491,52 3.476,53 3.238,54 5.134,55 2.976,56 0.101,57 0.563,58 4.3,59 2.807,60 11.511,61 3.319,62 0.187,63 0.873,64 10.428,65 4.87,66 18.583,67 6.055,68 0.284,69 1.023,70 21.317,71 6.057,72 25.392,73 7.09,74 0.402,75 1.077,76 20.033,77 6.443,78 37.127,79 8.078,80 0.34,81 0.99,82 21.524,83 5.79,84 31.457,85 6.98,86 0.254,87 0.933,88 13.082,89 5.614,90 23.886,91 7.004,92 0.474,93 0.87,94 23.505,95 6.44,96 57.762,97 8.616,98 0.339,99 0.562,100 35.817,101 7.328,102 41.916,103 8.865,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.946,114 -4.77,115 -4.68,116 -4.4,117 1,118 40,119 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 2,170 2,171 7,172 1,173 1,175 3,178 7,180 1,181 1,182 5,186 1,188 4,191 2,192 6,194 3,195 3,197 3,199 3,201 1,204 6,206 1,208 3,211 4,213 2,215 4,218 1,220 2,223 4,225 2,228 4,231 2,232 1,233 2,234 1,237 2,245 2,247 4,264 527,265 13.723,266 13.723,267 13.723,268 13.723,269 13.723,270 11.815,271 13.287,272 7.865,273 14.189,274 11.35,275 11.35,276 11.35,277 11.35,278 11.35,279 8.404,280 10.225,281 3.721,282 12.159,283 3.378,284 1.097,285 0.693,286 0.557,287 0.557,288 0.557,289 3.777,292 1,293 1,294 1,295 292,296 2.646,299 38.993,300 106.475,303 74.812,307 1.007,308 20.795,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 45.25,320 139,321 4.76,322 3.381,323 7.04,324 4.302,325 3.339,326 4.732,328 12.09,329 3.216,330 4.17,331 3.019,332 6.169,333 3.731,334 2.779,335 3.829,337 8.966,338 2.635,339 3.801,340 2.664,341 5.816,342 3.456,343 2.509,344 3.205,346 7.831,347 2.373,348 3.564,349 2.431,350 5.249,351 3.129,352 2.197,353 2.946,355 6.461,356 2.032,357 3.232,358 2.291,359 4.818,360 2.745,361 1.879,362 2.481,364 4.963,365 1.634,366 3.024,367 1.818,368 4.618,369 2.681,370 1.741,371 2.172,373 4.817,374 1.513,375 2.918,376 1.471,377 4.36,378 2.379,379 1.443,380 2.094,382 3.878,383 1.324,384 2.483,385 1.038,386 3.854,387 1.98,388 1.027,389 1.476,391 2.729,392 0.974,393 2.113,394 0.83,395 3.483,396 1.745,397 0.787,398 1.011,400 2.008,401 0.75,402 1.063,403 0.187,404 2.711,405 0.634,406 -0.284,407 -0.362,409 -0.669,410 -0.206,411 1,412 -0.057,413 2.426,414 0.55,415 -0.347,416 -0.445,417 -0.891,418 -0.261,419 0.925,420 -0.152,421 2.382,422 0.441,423 -0.449,424 -0.573,425 -1.16,426 -0.376,427 0.643,428 -0.631,429 2.256,430 0.135,431 -0.741,432 -0.947,433 -2,434 -0.634,435 0.287,436 -0.822,437 2.13,439 -0.949,440 -1,441 -2.053,442 -0.837,443 0.041,444 -1,445 1.806,446 -0.085,447 -1,448 -1.173,449 -2.7,450 -1,451 10.667,452 0.508,453 0.703,454 0.033,455 28.75,456 1.369,457 15,458 0.714,459 13.75,460 0.655,461 17.481,462 0.832,463 21.733,464 0.621,465 18.465,466 0.879,467 5.259,468 0.25,469 4.71,470 0.224,471 0.288,473 0.413,478 0.937,479 1.202,480 0.486,481 0.754,482 1.096,483 0.786,484 0.689,485 1.069,486 0.534,487 0.719,488 0.513,489 0.715,490 1.177,491 1.206,492 0.962,493 0.954,494 0.991,495 0.924,496 0.782,497 0.89,498 0.599,499 0.745,500 0.713,501 0.772,502 1.116,503 1.134,504 1.002,505 1.072,506 0.882,507 1.126,508 0.906,509 1.316,510 0.737,511 1.089,512 1.02,513 1.197,514 0.752,515 0.944,516 0.829,517 1.045,518 0.929,519 1.15,520 1.15,521 0.598,522 1.52,523 1.049,524 1.225,525 0.969,526 5,528 2.444,529 2.292,530 1.807,531 0.716,532 0.656,533 0.313,534 0.082,536 3598,537 11771,538 2.018,539 40,541 4,543 1,544 3,546 6,549 1.641,550 1.826,551 2.788,552 1.156,554 1,556 1,558 61.309,559 1.752,560 4.032,561 4.436,562 4.572,563 4.572,564 4.572,565 2.136,566 4.011,567 4.366,568 2.91,569 611.075,570 7.529,571 6331.53,572 1,573 1,574 1,575 1,576 179.525,577 1.545,578 4.289,579 0.217,581 0.072,582 0.065,583 0.052,584 0.025,585 0.024,586 0.017,587 0.009,589 0.482,590 0.33,591 1,592 0.911,593 91.653,594 -0.098,595 -0.026,596 -0.006,597 0.044,598 -0.232,599 0.042,600 0.101,601 0.039,602 0.061,603 0.12,604 0.158,605 0.173,606 -0.202,607 -0.134,608 -0.081,609 -0.041,610 -0.127,611 -0.029,612 0.146,613 0.152,614 0.088,615 0.106,616 0.133,617 0.14,618 -0.19,619 -0.062,620 -0.117,621 -0.163,622 -0.082,623 -0.23,624 -0.042,625 -0.266,626 -0.004,627 -0.212,628 -0.126,629 -0.292,630 0.221,631 -0.032,632 0.079,633 -0.096,634 0.135,635 -0.154,636 -0.052,637 0.097,638 -0.004,639 0.173,640 0.024,641 0.215,642 1.512,643 3.785,644 0.714,645 13.234,646 1.014,647 1.132,648 3.54,649 12.533,650 0.704,651 3.178,652 3.555,653 3.85,654 4.205,655 4.443,656 4.575,657 4.635,658 4.7,659 4.605,660 4.522,661 4.466,662 0.671,663 348.23,664 3.178,665 4.745,666 5.617,667 6.535,668 7.434,669 8.36,670 9.27,671 10.198,672 11.114,673 12.043,674 14.3,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 35,718 16,719 1,720 23,721 1,722 37,723 14,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,760 14,761 5,762 3,763 7,764 1,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,822 1,823 2,827 21,828 1,832 1,837 1,849 1,850 2.9,852 1,858 11.5,859 6.893,860 4.5,861 2.026,863 3.148,864 1.459,865 0.973,866 3.593,867 10.011,868 3.466,869 4.171,870 4.847,871 5.549,872 6.123,873 6.533,874 6.949,875 7.382,876 7.603,877 7.88,878 1,879 35,880 7.701,881 3.283,882 7.821,883 14.481,884 11.808,885 2.321,886 48.75,890 129.482,891 70.311,892 130.862,894 42.683,897 116.265,898 172.165,899 84.908,900 17.65,902 61.326,903 106.404,904 21.966,905 2.328,906 117.711,907 45.954,908 129.482,909 155.219,910 42.683,912 45.954,913 58.856,914 113.31,917 32.518,918 72.467,919 50.234,920 45.954,921 129.482,922 127.591,923 116.265,926 129.482,927 15.614,928 56.474,929 45.954,930 125.815,931 129.482,932 127.591,933 116.265,935 0.596,936 0.347,937 0.203,938 0.117,939 18,940 9,941 0.054,942 2,943 1,944 1.133,945 3.135,946 171.304,947 0.133,948 15,949 90.239,954 14.295,955 5.279,956 2.494,957 1.385,958 125.815,959 6.563,960 12.944,964 2.713,965 1.806,966 75.581,967 373.339,968 31,980 35.483,981 39.619,983 0.342,984 0.786,985 0.865,986 0.891,987 0.891,988 0.891,989 4.718,990 1.027,991 5.645,992 3.878,993 4.234,994 4.856,996 6.526,997 4.11,998 5.979,999 0.787,1000 7.249,1001 2.729,1002 4.007,1003 4.856,1005 7.561,1006 3.806,1007 7.323,1008 -0.284,1009 8.952,1010 2.008,1011 5.889,1012 7.194,1014 10.716,1015 5.679,1016 8.705,1017 -0.347,1018 10.713,1019 -0.669,1020 6.431,1021 8.006,1023 12.6,1024 6.172,1025 10.119,1026 -0.449,1027 12.512,1028 -0.891,1029 7.859,1030 9.862,1032 15.303,1033 7.582,1034 11.559,1035 -0.741,1036 14.339,1037 -1.16,1038 8.757,1039 11.069,1041 17.549,1042 8.441,1043 13.019,1044 -0.949,1045 16.187,1046 -2,1047 10.019,1048 12.731,1050 20.102,1051 9.679,1052 3.339,1053 -1,1054 18.053,1055 -2.053,1056 11.081,1057 14.126,1059 22.495,1060 10.704,1061 2.779,1062 12.09,1063 19.932,1064 -2.7,1065 12.287,1066 15.712,1068 25.002,1069 11.881,1070 2.509,1071 8.966,1072 21.823,1073 4.732,1074 13.422,1075 17.192,1077 27.454,1078 12.981,1079 2.197,1080 7.831,1081 23.724,1082 3.829,1083 14.614,1084 18.751,1086 29.947,1087 14.141,1088 1.879,1089 6.461,1090 25.632,1091 3.205,1092 15.783,1093 20.27,1095 32.422,1096 15.275,1097 1.741,1098 4.963,1099 27.546,1100 2.946,1101 16.974,1102 21.821,1104 34.913,1105 16.432,1106 1.443,1107 4.817,1108 29.467,1109 2.481,1110 18.158,1111 23.358,1113 37.398,1114 17.581,1115 3628,1116 6680,1117 14.74,1118 24.642,1119 35.871,1120 35.528,1121 37.595,1122 35.625,1123 35.403,1124 47.89,1126 107.484,1127 32.902,1128 5.43,1129 5.381,1130 6.567,1131 5.374,1132 5.339,1133 7.732,1135 19.563,1136 5.216,1137 12.187,1138 1.56,1139 1.545,1140 1.635,1141 1.549,1142 1.539,1143 2.082,1145 4.673,1146 1.431,1147 4.132,1148 4.178,1149 6.88,1150 4.001,1151 6.471,1152 4.018,1153 3.837,1154 3.859,1155 4.107,1156 3.759,1157 5.254,1158 3.757,1159 3.576,1160 3.654,1161 3.705,1162 3.407,1163 4.873,1164 3.399,1165 3.207,1166 3.287,1167 3.445,1168 3.012,1169 4.617,1170 3.022,1171 3.004,1172 3.112,1173 3.109,1174 2.858,1175 4.453,1176 2.815,1177 2.944,1178 3.009,1179 2.884,1180 2.695,1181 4.073,1182 2.733,1183 2.874,1184 2.962,1185 2.728,1186 2.618,1187 3.737,1188 2.601,1189 2.767,1190 2.83,1191 2.499,1192 2.598,1193 3.605,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.76,1201 0.206,1202 3.381,1204 7.04,1205 0.526,1206 4.302,1207 0.14,1208 3.339,1209 4.732,1211 12.09,1212 3.216,1213 1.925,1214 1.908,1215 1.97,1216 2.034,1217 1.154,1218 2.014,1219 1.794,1220 1.748,1221 1.939,1222 1.968,1223 1.112,1224 1.963,1225 1.609,1226 1.547,1227 1.762,1228 1.803,1229 0.831,1230 1.805,1231 1.145,1232 1.089,1233 1.417,1234 1.404,1235 0.469,1236 1.375,1237 0.934,1238 0.848,1239 1.26,1240 1.239,1241 0.284,1242 1.308,1243 0.879,1244 0.804,1245 1.155,1246 1.229,1247 0.11,1248 1.214,1249 0.869,1250 0.784,1251 1.027,1252 1.094,1253 0.04,1254 1.081,1255 0.761,1256 0.67,1257 0.99,1258 1.038,1260 1.045,1261 3.85,1263 5.209,1264 2.398,1265 6.76,1266 4.844,1267 8.407,1268 7.081,1269 10.106,1270 3.371,1271 4.041,1275 6.005,1276 9.785,1281 0.135,1289 23.481,1290 61.309,1291 141.119,1292 155.26,1293 160.015,1294 160.015,1295 160.015,1296 32.055,1297 6.863,1298 89.85,1299 89.85,1300 17,1301 12.548,1302 4.087,1303 3.17,1304 31.804,1305 55,1306 48,1307 0.294,1308 152.273,1309 245.57,1310 363.306,1311 7124,1312 2.9,1313 15.146,1314 0.721,1315 0.627,1316 16.146,1317 13.164,1318 9.969,1319 0.433,1320 0.315,1321 6.412,1322 9.001,1323 6.154,1324 5.133,1325 10.547,1326 7.25,1327 9.634,1328 0.283,1329 0.175,1330 10.451,1331 5.958,1332 7.614,1333 0.166,1334 0.079,1335 8.085,1336 3.621,1337 7,1338 0.106,1339 0.042,1340 7.705,1341 2.75,1342 5.497,1343 0.065,1344 0.021,1345 5.864,1346 1.75,1347 0.432,1348 70.907,1349 0.26,1350 19.994,1351 0.906,1352 114,1353 336.697,1354 191.411,1355 369.097,1356 500.53,1357 342,1358 137,1359 358.057,1360 177.555,1361 375.025,1362 550.57,1363 352,1364 7.77}
{0 CHEMBL1242286,1 1.757,2 8.792,3 3.01,4 9.057,5 96.502,6 9.34,7 0.615,8 3.858,9 3.976,10 3.617,11 3.35,12 5.007,13 3.346,14 4.375,15 4.548,16 4.028,17 3.719,18 5.478,19 3.701,20 4.489,21 4.662,22 4.224,23 3.858,24 5.599,25 3.823,26 4.634,27 4.848,28 4.112,29 3.899,30 5.719,31 3.839,32 4.572,33 4.762,34 4.07,35 3.88,36 5.632,37 3.812,38 4.55,39 4.732,40 4.107,41 3.872,42 5.646,43 3.786,44 4.671,45 4.92,46 3.981,47 3.813,48 5.681,49 3.654,50 4.473,51 4.749,52 3.955,53 3.511,54 5.352,55 3.357,56 0.096,57 0.642,58 6.241,59 3.556,60 9.669,61 4.366,62 0.463,63 0.967,64 16.72,65 5.956,66 29.22,67 7.282,68 0.318,69 1.127,70 22.951,71 6.774,72 21.055,73 8.393,74 0.489,75 1.221,76 29.976,77 8.012,78 38.528,79 10.159,80 0.429,81 1.164,82 27.563,83 7.386,84 29.733,85 9.277,86 0.294,87 1.142,88 18.478,89 7.37,90 25.92,91 9.624,92 0.603,93 1.098,94 39.396,95 8.969,96 52.885,97 11.821,98 0.433,99 0.802,100 31.451,101 7.569,102 32.345,103 10.437,104 32,105 37,106 0.308,107 0.688,108 0.816,109 0.836,110 0.836,111 0.836,112 3.23,113 0.949,114 -4.9,115 -4.81,116 -4.51,117 1,118 38.1,119 2,123 1,125 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 3,171 8,172 1,173 1,175 1,178 5,180 1,181 1,182 8,188 5,191 2,192 9,194 3,195 3,197 1,199 4,201 1,203 1,204 9,208 2,211 2,213 2,214 1,215 6,220 3,223 5,225 3,227 3,228 2,230 1,231 1,235 2,239 1,240 4,245 1,249 1,251 2,254 1,255 1,260 2,264 802,265 16.06,266 16.06,267 16.06,268 16.06,269 16.06,270 14.177,271 15.723,272 9.474,273 16.568,274 12.776,275 12.776,276 12.776,277 12.776,278 12.776,279 9.855,280 12.836,281 4.407,282 13.675,283 3.635,284 1.471,285 0.739,286 0.625,287 0.625,288 0.625,289 3.906,293 1,294 1,295 443,296 3.162,299 47.957,300 130.681,303 91.493,307 1.326,308 21.215,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52.25,320 211,321 4.76,322 3.387,323 7.039,324 4.301,325 3.338,326 4.732,327 1.392,328 12.087,329 3.216,330 4.243,331 3.234,332 6.205,333 3.797,334 2.867,335 3.9,336 0.532,337 9.14,338 2.661,339 3.818,340 2.687,341 6.01,342 3.486,343 2.542,344 3.216,346 8.364,347 2.387,348 3.692,349 2.469,350 5.69,351 3.278,352 2.34,353 3.097,355 7.369,356 2.152,357 3.032,358 2.436,359 4.819,360 2.684,361 1.743,362 2.251,364 4.818,365 1.637,366 2.989,367 1.867,368 4.469,369 2.606,370 1.682,371 2.128,373 4.123,374 1.529,375 2.918,376 1.818,377 4.254,378 2.428,379 1.506,380 2.051,382 4.043,383 1.35,384 2.521,385 1.54,386 3.862,387 2.224,388 1.27,389 1.531,391 2.761,392 1.192,393 2.434,394 1.091,395 3.491,396 2.002,397 1.062,398 1.429,400 2.498,401 0.987,402 2.127,403 0.919,404 3.418,405 1.771,406 0.815,407 1.033,409 2.05,410 0.768,411 1.536,412 0.865,413 2.751,414 1.259,415 0.377,416 0.422,417 0.68,418 0.31,419 1.107,420 0.489,421 2.596,422 0.737,423 -0.113,424 -0.13,425 -0.22,426 -0.074,427 1.046,428 -0.149,429 2.425,430 0.594,431 -0.304,432 -0.388,433 -0.7,434 -0.271,435 0.669,436 -0.235,437 2.257,438 0.26,439 -0.683,440 -0.842,441 -1.625,442 -0.632,443 0.604,444 -0.708,445 2.192,446 0.102,447 -0.82,448 -1,449 -2,450 -0.687,451 12,452 0.5,453 0.648,454 0.027,455 31,456 1.292,457 15,458 0.625,459 16,460 0.667,461 21.402,462 0.892,463 25.8,464 0.614,465 21.229,466 0.885,467 5.959,468 0.248,469 5.565,470 0.232,471 0.269,473 0.367,478 0.891,479 1.379,480 0.497,481 0.948,482 1.045,483 0.913,484 1.169,485 0.912,486 0.564,487 0.592,488 0.882,489 0.639,490 0.942,491 1.283,492 0.916,493 1.008,494 0.783,495 0.92,496 1.012,497 0.903,498 0.885,499 0.84,500 0.981,501 0.849,502 1.027,503 1.116,504 0.963,505 1.072,506 0.989,507 1.091,508 0.824,509 1.396,510 0.719,511 1.158,512 1.045,513 1.244,514 0.807,515 0.911,516 1.213,517 1.12,518 1.246,519 1.157,520 0.745,521 0.937,522 0.811,523 0.965,524 0.63,525 0.896,526 4.5,527 0.054,528 3.111,529 2.167,530 1.927,531 0.973,532 0.626,533 0.486,534 0.265,535 0.126,536 5395,537 17136,538 2.015,539 42.9,541 7,542 2,543 1,544 2,546 6,549 1.676,550 1.846,551 3.111,552 0.378,553 1,554 1,558 73.809,559 1.757,560 3.921,561 4.654,562 4.767,563 4.767,564 4.767,565 2.534,566 4.335,567 4.553,568 3.242,569 894.732,570 7.896,571 10178.4,573 1,575 1,576 226.477,577 1.528,578 4.493,579 0.173,580 0.008,581 0.084,582 0.054,583 0.049,584 0.028,585 0.019,586 0.02,587 0.014,588 0.01,589 0.459,590 0.17,591 1,592 1.343,593 111.712,594 -0.038,595 -0.162,596 0.005,597 -0.08,598 -0.171,599 -0.025,600 0.019,601 0.162,602 0.06,603 0.28,604 0.081,605 0.259,606 -0.055,607 -0.154,608 0.013,609 -0.053,610 0.05,611 0.005,612 -0.052,613 0.151,614 -0.032,615 0.079,616 0.022,617 0.084,618 -0.126,619 -0.022,620 -0.088,621 -0.134,622 -0.11,623 -0.162,624 -0.034,625 -0.31,626 -0.01,627 -0.245,628 -0.094,629 -0.303,630 0.086,631 0.031,632 -0.065,633 -0.103,634 -0.143,635 -0.155,636 0.218,637 -0.143,638 0.197,639 0.044,640 0.263,641 0.162,642 1.339,643 2.091,644 0.625,645 18.583,646 1.014,647 1.135,648 3.674,649 13.496,650 0.681,651 3.296,652 3.638,653 3.951,654 4.263,655 4.533,656 4.663,657 4.745,658 4.868,659 4.868,660 4.812,661 5.292,662 0.649,663 392.29,664 3.296,665 4.844,666 5.714,667 6.616,668 7.517,669 8.431,670 9.343,671 10.263,672 11.181,673 12.103,674 11.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 1,715 1,716 42,718 16,719 1,720 26,721 1,722 44,723 16,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 5,757 1,760 18,761 6,762 2,763 8,764 1,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,818 1,819 2,822 1,823 3,827 24,828 1,833 1,835 2,837 1,849 1,850 4.8,854 1,855 1,858 13,859 8.526,860 5.361,861 2.358,863 3.177,864 1.445,865 0.967,866 5.037,867 10.313,868 3.555,869 4.216,870 4.897,871 5.57,872 6.161,873 6.571,874 7.004,875 7.459,876 7.724,877 7.991,878 0.833,879 40,880 8.796,881 3.625,882 7.719,883 16.666,884 13.161,885 2.219,886 53.25,889 1,890 188.338,891 93.088,892 130.862,894 22,897 139.042,898 210.337,899 84.908,900 28.533,901 6.65,902 61.326,903 74.72,904 38.209,905 25.87,906 153.024,907 45.954,908 188.338,909 177.996,910 22,912 45.954,913 117.711,914 81.626,915 11,917 39.168,918 88.594,919 50.234,920 45.954,921 188.338,922 106.908,923 139.042,926 188.338,927 27.507,928 67.357,929 45.954,930 105.131,931 188.338,932 106.908,933 139.042,935 0.58,936 0.346,937 0.194,938 0.117,939 18,940 9,941 0.114,942 5,943 1,944 1.133,945 3.435,946 201.089,947 0.133,948 15,949 108.039,954 17.145,955 7.051,956 3.277,957 1.459,958 105.131,959 7.196,960 13.159,964 3.503,965 1.848,966 32.897,967 434.287,968 34,980 42.578,981 47.658,983 0.326,984 0.727,985 0.863,986 0.884,987 0.884,988 0.884,989 4.796,990 1.27,991 5.72,992 4.043,993 4.317,994 4.902,995 1.693,996 6.592,997 4.191,998 6.031,999 1.062,1000 7.319,1001 2.761,1002 4.007,1003 4.856,1005 7.633,1006 3.806,1007 7.365,1008 0.815,1009 9.023,1010 2.498,1011 5.958,1012 7.22,1013 2.158,1014 10.784,1015 5.736,1016 8.743,1017 0.377,1018 10.788,1019 2.05,1020 6.479,1021 8.036,1023 12.674,1024 6.195,1025 10.157,1026 -0.113,1027 12.592,1028 0.68,1029 7.928,1030 9.89,1031 2.745,1032 15.362,1033 7.623,1034 11.599,1035 -0.304,1036 14.423,1037 -0.22,1038 8.819,1039 11.102,1041 17.6,1042 8.467,1043 13.061,1044 -0.683,1045 16.274,1046 -0.7,1047 10.087,1048 12.759,1049 3.372,1050 20.142,1051 9.709,1052 3.338,1053 -0.82,1054 18.139,1055 -1.625,1056 11.143,1057 14.154,1059 22.527,1060 10.726,1061 2.867,1062 12.087,1063 20.017,1064 -2,1065 12.349,1066 15.736,1067 4.015,1068 25.025,1069 11.903,1070 2.542,1071 9.14,1072 21.905,1073 4.732,1074 13.478,1075 17.214,1077 27.471,1078 12.999,1079 2.34,1080 8.364,1081 23.801,1082 3.9,1083 14.667,1084 18.771,1085 4.667,1086 29.959,1087 14.157,1088 1.743,1089 7.369,1090 25.704,1091 3.216,1092 15.83,1093 20.287,1095 32.431,1096 15.288,1097 1.682,1098 4.818,1099 27.613,1100 3.097,1101 17.017,1102 21.836,1103 5.323,1104 34.918,1105 16.444,1106 1.506,1107 4.123,1108 29.527,1109 2.251,1110 18.197,1111 23.37,1113 37.401,1114 17.591,1115 5444,1116 9826,1117 16.819,1118 28.62,1119 39.371,1120 40.325,1121 41.592,1122 39.278,1123 39.085,1124 51.579,1125 3.846,1126 115.866,1127 36.377,1128 5.557,1129 5.387,1130 6.9,1131 5.374,1132 5.338,1133 7.732,1134 2.783,1135 19.553,1136 5.216,1137 13.717,1138 1.514,1139 1.551,1140 1.6,1141 1.511,1142 1.503,1143 1.984,1144 0.148,1145 4.456,1146 1.399,1147 4.133,1148 4.179,1149 6.88,1150 4.001,1151 5.257,1152 4.019,1153 3.847,1154 3.867,1155 4.109,1156 3.764,1157 4.915,1158 3.763,1159 3.577,1160 3.654,1161 3.713,1162 3.407,1163 4.828,1164 3.4,1165 3.437,1166 3.475,1167 3.445,1168 3.115,1169 4.61,1170 3.149,1171 3.2,1172 3.28,1173 3.296,1174 3.023,1175 4.477,1176 3.02,1177 3.011,1178 3.114,1179 3.065,1180 2.765,1181 4.131,1182 2.763,1183 2.98,1184 3.058,1185 2.874,1186 2.729,1187 4.049,1188 2.74,1189 2.874,1190 3.009,1191 2.8,1192 2.65,1193 3.74,1194 2.64,1195 0.183,1196 0.13,1197 0.271,1198 0.165,1199 0.128,1200 4.76,1201 0.182,1202 3.387,1203 0.054,1204 7.039,1205 0.465,1206 4.301,1207 0.124,1208 3.338,1209 4.732,1210 1.392,1211 12.087,1212 3.216,1213 1.927,1214 1.911,1215 1.975,1216 2.035,1217 1.156,1218 2.015,1219 1.795,1220 1.749,1221 1.941,1222 1.973,1223 1.12,1224 1.966,1225 1.611,1226 1.548,1227 1.763,1228 1.809,1229 0.838,1230 1.808,1231 1.319,1232 1.27,1233 1.64,1234 1.663,1235 0.667,1236 1.652,1237 1.138,1238 1.084,1239 1.417,1240 1.396,1241 0.469,1242 1.371,1243 0.961,1244 0.889,1245 1.334,1246 1.269,1247 0.463,1248 1.308,1249 0.934,1250 0.804,1251 1.241,1252 1.239,1253 0.274,1254 1.288,1255 0.877,1256 0.786,1257 1.138,1258 1.195,1259 0.14,1260 1.19,1261 3.97,1263 5.303,1264 2.398,1265 6.841,1266 4.844,1267 8.478,1268 7.081,1269 10.171,1270 3.47,1271 5.667,1275 6.091,1277 0.161,1279 10.547,1281 0.148,1289 27.249,1290 73.809,1291 164.703,1292 195.458,1293 200.213,1294 200.213,1295 200.213,1296 34.812,1297 7.136,1298 88.08,1299 88.08,1300 17,1301 12.611,1302 4.087,1303 3.17,1304 38.986,1305 74,1306 94,1307 0.263,1308 175.454,1309 288.96,1310 419.867,1311 10353,1312 2.4,1313 17.267,1314 0.719,1315 0.635,1316 18.267,1317 15.241,1318 11.524,1319 0.443,1320 0.316,1321 7.318,1322 10.378,1323 7.001,1324 5.872,1325 12.101,1326 8.222,1327 10.41,1328 0.281,1329 0.173,1330 11.151,1331 6.395,1332 8.73,1333 0.171,1334 0.082,1335 9.49,1336 4.199,1337 7.35,1338 0.105,1339 0.04,1340 7.82,1341 2.802,1342 6.218,1343 0.068,1344 0.022,1345 6.724,1346 2.004,1347 0.397,1348 81.774,1349 0.244,1350 22.845,1351 0.771,1352 126,1353 404.018,1354 207.285,1355 421.161,1356 569.07,1357 394,1358 151,1359 398.208,1360 203.072,1361 416.853,1362 613,1363 387,1364 4}
{0 CHEMBL1242287,1 1.739,2 7.773,3 3.127,4 9.776,5 88.525,6 10.007,7 0.64,8 3.736,9 3.853,10 3.553,11 3.311,12 4.893,13 3.301,14 4.224,15 4.382,16 3.973,17 3.701,18 5.335,19 3.664,20 4.441,21 4.64,22 4.164,23 3.783,24 5.563,25 3.738,26 4.428,27 4.629,28 3.925,29 3.747,30 5.579,31 3.699,32 4.38,33 4.58,34 3.79,35 3.705,36 5.475,37 3.654,38 4.363,39 4.552,40 3.899,41 3.694,42 5.482,43 3.625,44 4.42,45 4.658,46 3.854,47 3.618,48 5.534,49 3.478,50 4.257,51 4.541,52 3.766,53 3.31,54 5.219,55 3.114,56 0.1,57 0.588,58 4.247,59 2.928,60 11.411,61 3.391,62 0.176,63 0.927,64 9.393,65 5.163,66 16.759,67 6.303,68 0.315,69 1.067,70 22.983,71 6.747,72 29.382,73 7.981,74 0.376,75 1.086,76 26.061,77 6.383,78 33.035,79 7.481,80 0.313,81 1.029,82 11.945,83 5.294,84 30.249,85 6.574,86 0.271,87 0.993,88 12.334,89 5.526,90 25.701,91 6.875,92 0.403,93 0.932,94 19.22,95 6.79,96 51.03,97 8.774,98 0.368,99 0.671,100 26.078,101 6.57,102 44.028,103 8.478,104 10,105 37,106 0.313,107 0.725,108 0.809,109 0.861,110 0.861,111 0.861,112 3.149,113 0.95,114 -5.02,115 -4.92,116 -4.61,117 1,118 41.7,120 3,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 7,172 1,173 1,175 2,178 5,180 1,181 1,182 6,186 3,188 5,191 2,192 8,194 3,195 3,197 2,199 4,201 1,204 6,206 1,208 3,211 3,213 2,215 5,218 1,220 3,223 6,225 3,228 2,231 2,232 1,233 1,234 1,235 4,237 1,240 2,245 3,247 1,249 1,257 1,260 2,264 604,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.995,271 12.041,272 8.539,273 15.345,274 12.321,275 12.321,276 12.321,277 12.321,278 12.321,279 9.401,280 8.742,281 4.025,282 13.104,283 3.431,284 1.143,285 0.674,286 0.389,287 0.389,288 0.389,289 3.838,292 1,293 1,294 1,295 378,296 2.121,298 40.578,299 41.015,300 111.803,303 78.94,307 1.087,308 21.424,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 47.25,320 171,321 4.764,322 3.396,323 7.051,324 4.312,325 3.35,326 4.733,328 12.147,329 3.225,330 4.219,331 3.158,332 6.266,333 3.794,334 2.848,335 3.88,337 9.331,338 2.7,339 3.891,340 2.808,341 5.973,342 3.62,343 2.67,344 3.249,346 8.332,347 2.521,348 3.681,349 2.451,350 5.682,351 3.252,352 2.324,353 3.086,355 7.322,356 2.095,357 3.255,358 2.043,359 5.096,360 2.943,361 1.994,362 2.39,364 5.746,365 1.888,366 2.996,367 1.861,368 4.469,369 2.444,370 1.512,371 2.232,373 4.137,374 1.405,375 2.82,376 1.533,377 4.246,378 2.341,379 1.414,380 1.948,382 3.514,383 1.257,384 2.613,385 1.296,386 4.038,387 2.194,388 1.235,389 1.656,391 3.474,392 1.181,393 2.407,394 1.074,395 3.653,396 1.935,397 1.011,398 1.376,400 2.499,401 0.915,402 1.441,403 0.588,404 2.974,405 1.294,406 0.316,407 0.348,409 0.782,410 0.306,411 1.366,412 0.347,413 2.736,414 1,415 0.1,416 0.121,417 0.222,418 0.062,419 1.041,421 2.618,422 0.906,427 1,428 -0.168,429 2.417,430 0.604,431 -0.307,432 -0.39,433 -0.714,434 -0.279,435 0.78,436 -0.295,437 2.375,438 0.349,439 -0.595,440 -0.771,441 -1.604,442 -0.525,443 0.599,444 -0.719,445 2.241,446 0.085,447 -0.835,448 -1.142,449 -2.341,450 -0.689,451 11.167,452 0.508,453 0.61,454 0.028,455 29.75,456 1.352,457 15,458 0.682,459 14.75,460 0.67,461 17.933,462 0.815,463 22.433,464 0.623,465 18.485,466 0.84,467 5.249,468 0.239,469 5.398,470 0.245,471 0.185,473 0.394,478 0.915,479 1.132,480 0.475,481 0.72,482 1,483 0.749,484 0.684,485 1.142,486 0.547,487 0.837,488 0.536,489 0.874,490 0.949,491 1.16,492 0.826,493 0.901,494 0.778,495 0.819,496 1.035,497 0.959,498 1.001,499 0.952,500 0.89,501 0.93,502 1.104,503 1.062,504 0.391,505 0.746,506 0.894,507 0.949,508 0.942,509 1.239,510 0.562,511 1.006,512 1.041,513 1.147,514 0.758,515 0.984,516 0.697,517 0.985,518 0.917,519 1.152,520 0.995,521 0.748,522 0.911,523 0.963,524 1.295,525 0.976,526 4,527 0.012,528 3,529 1.917,530 1.669,531 0.705,532 0.505,533 0.376,534 0.16,535 0.061,536 4612,537 13937,538 2.148,539 38.9,540 2,541 4,543 1,544 3,546 4,549 1.653,550 2,551 2.955,552 1.114,553 1,554 1,558 62.601,559 1.739,560 4.027,561 4.496,562 4.781,563 4.781,564 4.781,565 2.392,566 4.369,567 4.43,568 3.05,569 704.529,570 7.653,571 7446.13,572 1,573 1,574 1,575 1,576 186.117,577 1.437,578 4.388,579 0.16,580 0.012,581 0.086,582 0.052,583 0.048,584 0.023,585 0.017,586 0.018,587 0.013,588 0.012,589 0.441,590 0.33,591 1,592 0.595,593 98.167,594 -0.094,595 0.019,596 -0.005,597 0.066,598 -0.141,599 0.063,600 0.08,601 -0.047,602 0.028,603 -0.011,604 0.114,605 -0.003,606 0.012,607 -0.145,608 0.047,609 0.022,610 0.092,611 0.114,612 -0.048,613 0.115,614 -0.123,615 -0.058,616 -0.022,617 -0.04,618 -0.198,619 0.019,620 -0.031,621 -0.004,622 -0.083,623 -0.097,624 -0.072,625 -0.184,626 -0.019,627 -0.196,628 -0.136,629 -0.268,630 0.167,631 -0.052,632 0.044,633 -0.074,634 0.107,635 -0.163,636 0.095,637 0.024,638 0.169,639 0.107,640 -0.028,641 0.15,642 1.501,643 3.932,644 0.864,645 15.182,646 1.013,647 1.128,648 3.786,649 14.337,650 0.712,651 3.258,652 3.638,653 3.989,654 4.263,655 4.554,656 4.718,657 4.868,658 4.99,659 4.956,660 4.875,661 4.735,662 0.68,663 360.24,664 3.258,665 4.828,666 5.72,667 6.635,668 7.548,669 8.471,670 9.393,671 10.32,672 11.246,673 12.176,674 13.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 36,718 16,719 1,720 25,721 1,722 39,723 15,724 11,725 3,726 3,728 4,729 5,735 4,738 4,740 11,741 4,756 1,757 1,760 14,761 5,762 3,763 7,764 1,769 5,775 0.75,776 1,785 1,788 1,792 1,793 1,794 2,797 1,819 3,822 1,827 22,828 1,832 1,833 3,837 1,849 1,850 2.8,852 1,858 11,859 6.393,860 4.694,861 2.199,863 3.095,864 1.433,865 1.015,866 3.312,867 10.248,868 3.526,869 4.216,870 4.904,871 5.562,872 6.164,873 6.589,874 7.046,875 7.501,876 7.759,877 8.014,878 1,879 37,880 8.108,881 3.579,882 7.739,883 15.517,884 13.336,885 2.239,886 49.25,890 129.482,891 60.265,892 130.862,894 42.683,897 106.219,898 172.165,899 84.908,901 7.604,902 61.326,903 106.404,904 21.966,905 2.328,906 117.711,907 45.954,908 129.482,909 145.172,910 42.683,912 45.954,913 82.398,914 89.768,917 22.471,918 72.467,919 50.234,920 45.954,921 129.482,922 127.591,923 106.219,926 129.482,927 23.217,928 38.824,929 45.954,930 125.815,931 129.482,932 127.591,933 106.219,935 0.596,936 0.364,937 0.188,938 0.109,939 21,940 9,941 0.051,942 2,943 1,944 1.105,945 3.378,946 188.186,947 0.105,948 19,949 96.107,954 13.976,955 5.214,956 2.216,957 1.505,958 125.815,959 6.822,960 13.181,964 2.725,965 1.95,966 75.581,967 363.292,968 33,980 36.483,981 40.619,983 0.336,984 0.779,985 0.87,986 0.925,987 0.925,988 0.925,989 4.787,990 1.235,991 5.733,992 3.514,993 4.317,994 4.902,996 6.619,997 4.203,998 6.028,999 1.011,1000 7.339,1001 3.474,1002 4.007,1003 4.856,1005 7.656,1006 3.806,1007 7.374,1008 0.316,1009 9.047,1010 2.499,1011 5.999,1012 7.228,1014 10.823,1015 5.802,1016 8.758,1017 0.1,1018 10.815,1019 0.782,1020 6.509,1021 8.038,1023 12.71,1024 6.236,1025 10.175,1027 12.62,1028 0.222,1029 7.979,1030 9.892,1032 15.404,1033 7.704,1034 11.617,1035 -0.307,1036 14.452,1038 8.86,1039 11.101,1041 17.644,1042 8.525,1043 13.078,1044 -0.595,1045 16.303,1046 -0.714,1047 10.137,1048 12.758,1050 20.191,1051 9.788,1052 3.35,1053 -0.835,1054 18.169,1055 -1.604,1056 11.187,1057 14.152,1059 22.579,1060 10.791,1061 2.848,1062 12.147,1063 20.047,1064 -2.341,1065 12.397,1066 15.734,1068 25.082,1069 11.977,1070 2.67,1071 9.331,1072 21.935,1073 4.733,1074 13.524,1075 17.212,1077 27.531,1078 13.064,1079 2.324,1080 8.332,1081 23.832,1082 3.88,1083 14.715,1084 18.769,1086 30.024,1087 14.227,1088 1.994,1089 7.322,1090 25.736,1091 3.249,1092 15.878,1093 20.286,1095 32.499,1096 15.353,1097 1.512,1098 5.746,1099 27.646,1100 3.086,1101 17.068,1102 21.835,1104 34.991,1105 16.51,1106 1.414,1107 4.137,1108 29.561,1109 2.39,1110 18.249,1111 23.37,1113 37.478,1114 17.656,1115 4399,1116 7772,1117 16.819,1118 25.642,1119 37.867,1120 38.349,1121 39.693,1122 37.755,1123 37.548,1124 50.037,1126 115.014,1127 35.111,1128 5.764,1129 5.396,1130 6.669,1131 5.385,1132 5.35,1133 7.733,1135 19.676,1136 5.225,1137 9.835,1138 1.515,1139 1.534,1140 1.588,1141 1.51,1142 1.502,1143 2.001,1145 4.601,1146 1.404,1147 4.148,1148 4.196,1149 6.88,1150 4.012,1151 6.469,1152 4.031,1153 3.862,1154 3.891,1155 4.12,1156 3.793,1157 5.254,1158 3.783,1159 3.763,1160 3.811,1161 3.72,1162 3.648,1163 4.872,1164 3.643,1165 3.259,1166 3.344,1167 3.643,1168 3.046,1169 4.618,1170 3.056,1171 3.022,1172 3.116,1173 3.177,1174 2.794,1175 4.454,1176 2.806,1177 2.931,1178 2.971,1179 2.905,1180 2.746,1181 4.15,1182 2.748,1183 2.8,1184 2.857,1185 2.804,1186 2.651,1187 3.752,1188 2.642,1189 2.524,1190 2.66,1191 2.546,1192 2.274,1193 3.59,1194 2.228,1195 0.191,1196 0.136,1197 0.282,1198 0.172,1199 0.134,1200 4.764,1201 0.189,1202 3.396,1204 7.051,1205 0.486,1206 4.312,1207 0.129,1208 3.35,1209 4.733,1211 12.147,1212 3.225,1213 1.931,1214 1.91,1215 2.096,1216 2.088,1217 1.491,1218 2.087,1219 1.899,1220 1.851,1221 1.969,1222 2.001,1223 1.123,1224 1.999,1225 1.714,1226 1.675,1227 1.782,1228 1.871,1229 0.861,1230 1.861,1231 1.2,1232 1.144,1233 1.282,1234 1.477,1235 0.398,1236 1.431,1237 0.913,1238 0.844,1239 1.148,1240 1.22,1241 0.325,1242 1.203,1243 0.883,1244 0.835,1245 1.109,1246 1.141,1247 0.197,1248 1.131,1249 0.792,1250 0.691,1251 1.079,1252 1.088,1253 0.125,1254 1.093,1255 0.585,1256 0.494,1257 1.064,1258 0.895,1260 0.967,1261 3.932,1263 5.333,1264 2.398,1265 6.913,1266 4.844,1267 8.575,1268 7.081,1269 10.28,1270 3.29,1275 6.059,1276 9.932,1277 3.415,1281 0.37,1289 24.481,1290 62.601,1291 144.956,1292 161.853,1293 172.117,1294 172.117,1295 172.117,1296 31.355,1297 7.153,1298 89.85,1299 89.85,1300 21,1301 12.679,1302 4.087,1303 3.17,1304 29.624,1305 61,1306 64,1307 0.243,1308 154.472,1309 250.51,1310 368.671,1311 10300,1312 2.8,1313 15.267,1314 0.694,1315 0.604,1316 16.267,1317 13.285,1318 10.648,1319 0.426,1320 0.317,1321 7.079,1322 9.73,1323 6.928,1324 5.68,1325 11.225,1326 7.918,1327 9.931,1328 0.268,1329 0.172,1330 10.673,1331 6.356,1332 8.937,1333 0.169,1334 0.091,1335 9.794,1336 4.829,1337 7.058,1338 0.101,1339 0.04,1340 7.361,1341 2.786,1342 6.013,1343 0.064,1344 0.022,1345 6.402,1346 2.048,1347 0.361,1348 74.979,1349 0.244,1350 21.017,1351 0.735,1352 124,1353 346.697,1354 201.411,1355 378.247,1356 517.53,1357 352,1358 152,1359 373.057,1360 200.751,1361 388.855,1362 576.94,1363 367,1364 6.492}
{0 CHEMBL1242288,1 1.664,2 8.625,3 0.929,4 0.862,5 90.845,6 7.771,7 0.593,8 3.884,9 4.012,10 3.484,11 3.34,12 5.045,13 3.359,14 4.404,15 4.58,16 3.859,17 3.745,18 5.495,19 3.748,20 4.611,21 4.816,22 3.923,23 3.847,24 5.712,25 3.825,26 4.645,27 4.864,28 3.924,29 3.851,30 5.775,31 3.828,32 4.621,33 4.831,34 3.805,35 3.851,36 5.713,37 3.801,38 4.576,39 4.794,40 3.759,41 3.794,42 5.638,43 3.736,44 4.58,45 4.812,46 3.642,47 3.691,48 5.726,49 3.611,50 4.524,51 4.804,52 3.262,53 3.459,54 5.517,55 3.335,56 0.124,57 0.686,58 8.492,59 3.264,60 12.746,61 4.329,62 0.308,63 1.07,64 16.121,65 5.412,66 23.995,67 7.477,68 0.442,69 1.224,70 21.061,71 6.503,72 35.609,73 9.546,74 0.493,75 1.254,76 22.397,77 6.646,78 41.08,79 9.662,80 0.444,81 1.225,82 21.281,83 6.418,84 44.216,85 9.426,86 0.364,87 1.151,88 20.387,89 6.467,90 31.861,91 9.716,92 0.496,93 1.063,94 21.35,95 6.491,96 54.837,97 9.786,98 0.55,99 0.838,100 22.86,101 6.101,102 55.189,103 9.421,104 11,105 39,106 0.291,107 0.706,108 0.852,109 0.888,110 0.888,111 0.888,112 3.23,113 0.862,114 -3.39,115 -3.37,116 -3.22,118 38.1,120 1,123 1,124 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 1,175 3,178 3,180 1,181 1,182 6,184 2,186 2,188 3,191 2,192 7,194 3,195 4,197 2,199 2,201 1,204 5,206 2,208 4,211 1,213 2,214 1,215 4,218 1,220 3,223 2,225 2,227 1,231 3,232 2,233 2,234 2,235 1,239 2,242 1,243 1,245 2,252 1,256 1,264 780,265 16.508,266 16.508,267 16.508,268 16.508,269 16.508,270 14.624,271 18.843,272 9.557,273 17.024,274 13.259,275 13.259,276 13.259,277 13.259,278 13.259,279 10.328,280 20.828,281 4.417,282 14.013,283 3.728,284 1.351,285 0.512,286 0.304,287 0.304,288 0.304,289 3.925,293 1,294 1,295 454,296 2.345,299 98.979,300 124.642,303 88.212,307 1.24,308 25.66,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 53,320 207,321 4.764,322 3.394,323 7.05,324 4.31,325 3.348,326 4.733,327 0.86,328 12.146,329 3.225,330 4.24,331 3.116,332 6.268,333 3.826,334 2.87,335 3.897,336 0.4,337 9.348,338 2.743,339 3.881,340 2.81,341 6.049,342 3.618,343 2.662,344 3.246,346 8.606,347 2.54,348 3.699,349 2.452,350 5.73,351 3.302,352 2.35,353 3.104,355 7.54,356 2.23,357 3.239,358 2.118,359 5.079,360 2.934,361 1.995,362 2.365,364 5.69,365 1.869,366 3.008,367 1.931,368 4.502,369 2.472,370 1.544,371 2.245,373 4.255,374 1.429,375 2.847,376 1.563,377 4.236,378 2.409,379 1.463,380 1.978,382 3.654,383 1.377,384 2.639,385 1.52,386 4.146,387 2.279,388 1.343,389 1.685,391 3.527,392 1.254,393 2.455,394 1.144,395 3.664,396 1.988,397 1.057,398 1.441,400 2.578,401 0.98,402 1.867,403 0.951,404 3.25,405 1.653,406 0.704,407 0.8,409 1.753,410 0.665,411 1.755,412 0.783,413 3,414 1.58,415 0.618,416 0.646,417 1.372,418 0.594,419 1.618,420 0.748,421 2.952,422 1.441,423 0.553,424 0.618,425 0.984,426 0.487,427 1.061,428 0.2,429 2.597,430 0.652,431 -0.257,432 -0.308,433 -0.474,434 -0.23,435 0.966,436 -0.145,437 2.46,438 0.592,439 -0.31,440 -0.386,441 -0.694,442 -0.278,443 0.773,444 -0.436,445 2.333,446 0.342,447 -0.611,448 -0.799,449 -1.675,450 -0.578,451 11.067,452 0.461,453 0.572,454 0.024,455 32.25,456 1.344,457 15.5,458 0.646,459 16.75,460 0.698,461 17.878,462 0.745,463 26.133,464 0.622,465 23.502,466 0.979,467 6.372,468 0.265,469 5.314,470 0.221,471 0.111,473 0.398,478 0.991,479 1.346,480 0.774,481 1.07,482 1.023,483 0.904,484 1.019,485 1.095,486 0.812,487 0.916,488 0.68,489 0.835,490 0.883,491 1.189,492 0.869,493 1.027,494 0.74,495 0.95,496 0.982,497 0.948,498 0.9,499 0.889,500 0.906,501 0.876,502 1.064,503 1.116,504 1.14,505 1.053,506 1.187,507 1.093,508 0.766,509 1.213,510 1,511 1.166,512 0.913,513 1.124,514 0.725,515 1.101,516 1.087,517 1.24,518 0.899,519 1.233,520 1.027,521 0.779,522 1.093,523 0.965,524 1.26,525 1.028,526 4,527 0.032,528 3.111,529 1.944,530 1.687,531 0.858,532 0.551,533 0.398,534 0.228,535 0.097,536 5813,537 16032,538 2.135,539 42.9,541 11,543 1,544 4,547 2,549 1.676,550 2,551 3.078,552 1.86,554 1,556 1,558 69.909,559 1.664,560 4.042,561 4.88,562 5.089,563 5.089,564 5.089,565 2.507,566 4.137,567 4.554,568 3.196,569 882.164,570 7.899,571 9905.6,572 1,573 1,576 226.477,577 1.406,578 4.518,579 0.148,580 0.006,581 0.08,582 0.049,583 0.042,584 0.025,585 0.017,586 0.015,587 0.013,588 0.009,589 0.403,590 0.33,591 1,592 0.757,593 111.068,594 -0.109,595 -0.1,596 0.037,597 -0.002,598 -0.143,599 0.04,600 -0.077,601 0.048,602 0.073,603 0.1,604 0.033,605 0.112,606 0.042,607 -0.126,608 0.058,609 -0.035,610 0.111,611 0.01,612 -0.021,613 0.111,614 0.048,615 0.069,616 0.02,617 0.067,618 -0.17,619 -0.036,620 -0.222,621 -0.076,622 -0.163,623 -0.144,624 0.011,625 -0.161,626 -0.084,627 -0.166,628 -0.055,629 -0.142,630 0.176,631 -0.103,632 -0.128,633 -0.272,634 0.127,635 -0.264,636 0.037,637 0.058,638 -0.033,639 -0.027,640 -0.069,641 -0.034,642 1.615,643 4.08,644 0.833,645 18.125,646 1.014,647 1.14,648 2.157,649 4.651,650 0.655,651 3.332,652 3.689,653 4.043,654 4.369,655 4.595,656 4.787,657 4.956,658 5.1,659 5.147,660 5.106,661 5.139,662 0.636,663 326.4,664 3.332,665 4.89,666 5.778,667 6.686,668 7.594,669 8.513,670 9.431,671 10.355,672 11.278,673 12.204,674 14.3,676 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,714 1,716 42,718 16,719 1,720 27,722 45,723 16,724 11,725 3,726 3,728 4,729 5,735 2,738 2,740 11,741 5,756 1,757 1,760 18,761 7,762 4,763 8,769 6,775 0.75,776 2,785 1,788 1,790 1,793 2,794 2,797 1,815 1,819 3,823 1,827 24,828 1,832 1,833 3,834 1,835 1,837 1,850 4.8,852 1,855 1,858 12,859 7.667,860 5.278,861 2.372,863 3.091,864 1.42,865 0.988,866 3.843,867 10.455,868 3.584,869 4.245,870 4.934,871 5.604,872 6.183,873 6.62,874 7.088,875 7.546,876 7.841,877 8.119,878 0.833,879 40,880 8.841,881 3.84,882 7.771,883 16.788,884 14.027,885 2.271,886 54.5,890 164.795,891 72.478,892 102.919,894 53.683,897 72.478,898 218.479,899 102.919,900 10.883,901 6.746,902 79.337,903 106.404,904 35.154,905 2.328,906 153.024,908 164.795,909 175.397,910 53.683,913 141.253,914 77.225,917 39.624,918 85.539,919 50.234,921 164.795,922 156.602,923 72.478,926 164.795,927 24.548,928 49.707,929 18.011,930 136.814,931 164.795,932 156.602,933 72.478,935 0.584,936 0.363,937 0.206,938 0.106,939 21,940 9,941 0.067,942 3,943 1,944 1.1,945 3.523,946 210.86,947 0.1,948 20,949 110.039,954 15.328,955 6.017,956 2.544,957 1.412,958 154.825,959 6.606,960 13.225,964 2.238,965 1.907,966 93.591,967 393.876,968 35,980 42.567,981 47.9,983 0.309,984 0.75,985 0.905,986 0.944,987 0.944,988 0.944,989 4.836,990 1.343,991 5.778,992 3.654,993 4.369,994 4.931,995 1.029,996 6.655,997 4.269,998 6.061,999 1.057,1000 7.376,1001 3.527,1002 4.007,1003 4.856,1005 7.689,1006 3.871,1007 7.395,1008 0.704,1009 9.078,1010 2.578,1011 6.019,1012 7.237,1013 0.763,1014 10.849,1015 5.838,1016 8.773,1017 0.618,1018 10.842,1019 1.753,1020 6.524,1021 8.046,1023 12.74,1024 6.307,1025 10.187,1026 0.553,1027 12.645,1028 1.372,1029 7.989,1030 9.899,1031 0.597,1032 15.427,1033 7.735,1034 11.627,1035 -0.257,1036 14.475,1037 0.984,1038 8.874,1039 11.108,1041 17.665,1042 8.583,1043 13.088,1044 -0.31,1045 16.326,1046 -0.474,1047 10.145,1048 12.764,1049 0.47,1050 20.207,1051 9.819,1052 3.348,1053 -0.611,1054 18.191,1055 -0.694,1056 11.198,1057 14.158,1059 22.592,1060 10.835,1061 2.87,1062 12.146,1063 20.069,1064 -1.675,1065 12.403,1066 15.739,1067 0.367,1068 25.092,1069 12.007,1070 2.662,1071 9.348,1072 21.956,1073 4.733,1074 13.531,1075 17.217,1077 27.539,1078 13.098,1079 2.35,1080 8.606,1081 23.852,1082 3.897,1083 14.72,1084 18.773,1085 0.283,1086 30.03,1087 14.251,1088 1.995,1089 7.54,1090 25.755,1091 3.246,1092 15.883,1093 20.29,1095 32.503,1096 15.378,1097 1.544,1098 5.69,1099 27.664,1100 3.104,1101 17.07,1102 21.839,1103 0.217,1104 34.994,1105 16.53,1106 1.463,1107 4.255,1108 29.578,1109 2.365,1110 18.25,1111 23.373,1113 37.48,1114 17.674,1115 5574,1116 9372,1117 18.205,1118 27.512,1119 40.913,1120 41.435,1121 42.517,1122 41.047,1123 41.011,1124 53.516,1125 2.52,1126 122.904,1127 38.782,1128 5.665,1129 5.394,1130 6.646,1131 5.387,1132 5.348,1133 7.733,1134 1.72,1135 19.684,1136 5.225,1137 10.546,1138 1.515,1139 1.535,1140 1.575,1141 1.52,1142 1.519,1143 1.982,1144 0.093,1145 4.552,1146 1.436,1147 4.142,1148 4.19,1149 4.123,1150 3.999,1151 6.47,1152 4.023,1153 3.861,1154 3.888,1155 3.81,1156 3.745,1157 5.255,1158 3.758,1159 3.75,1160 3.813,1161 3.64,1162 3.585,1163 4.878,1164 3.589,1165 3.311,1166 3.386,1167 3.236,1168 3.046,1169 4.749,1170 3.081,1171 3.2,1172 3.286,1173 3.049,1174 2.897,1175 4.523,1176 2.921,1177 3.006,1178 3.104,1179 2.883,1180 2.753,1181 4.362,1182 2.77,1183 2.931,1184 2.973,1185 2.804,1186 2.745,1187 4.217,1188 2.746,1189 2.85,1190 2.959,1191 2.609,1192 2.618,1193 3.697,1194 2.603,1195 0.176,1196 0.126,1197 0.261,1198 0.16,1199 0.124,1200 4.764,1201 0.175,1202 3.394,1203 0.032,1204 7.05,1205 0.45,1206 4.31,1207 0.119,1208 3.348,1209 4.733,1210 0.86,1211 12.146,1212 3.225,1213 1.924,1214 1.907,1215 1.99,1216 2.035,1217 1.241,1218 2.016,1219 1.786,1220 1.743,1221 1.888,1222 1.975,1223 1.116,1224 1.951,1225 1.587,1226 1.53,1227 1.761,1228 1.785,1229 0.941,1230 1.779,1231 1.423,1232 1.33,1233 1.687,1234 1.704,1235 0.829,1236 1.711,1237 1.223,1238 1.162,1239 1.568,1240 1.519,1241 0.573,1242 1.534,1243 1.065,1244 0.985,1245 1.234,1246 1.357,1247 0.259,1248 1.335,1249 0.883,1250 0.839,1251 1.149,1252 1.209,1253 0.143,1254 1.189,1255 0.852,1256 0.759,1257 1.107,1258 1.132,1259 0.086,1260 1.129,1261 4.007,1263 5.352,1264 3.045,1265 6.899,1266 5.352,1267 8.541,1268 7.455,1269 10.236,1271 1.512,1275 6.093,1276 10.08,1277 2.771,1278 3.331,1279 5.1,1281 0.224,1289 26.719,1290 69.909,1291 169.748,1292 204.968,1293 213.722,1294 213.722,1295 213.722,1296 35.845,1297 7.364,1298 111.11,1299 111.11,1300 22,1301 12.709,1302 4.087,1303 3.17,1304 33.584,1305 72,1306 86,1307 0.232,1308 162.941,1309 268.32,1310 389.336,1311 13619,1313 16.681,1314 0.695,1315 0.551,1316 16.681,1317 13.23,1318 11.686,1319 0.433,1320 0.287,1321 7.596,1322 11.076,1323 7.458,1324 6.156,1325 11.686,1326 7.755,1327 10.476,1328 0.269,1329 0.148,1330 10.476,1331 5.784,1332 9.46,1333 0.169,1334 0.078,1335 9.46,1336 4.351,1337 8.298,1338 0.106,1339 0.04,1340 8.298,1341 3.138,1342 6.28,1343 0.064,1344 0.019,1345 6.28,1346 1.865,1347 0.348,1348 74.451,1349 0.234,1350 22.771,1351 0.689,1352 132,1353 394.111,1354 147.806,1355 379.167,1356 527.91,1357 356,1358 161,1359 402.996,1360 178.583,1361 405.835,1362 599.54,1363 381,1364 4}
{0 CHEMBL1242289,1 1.591,2 9.36,3 3.167,4 10.029,5 96.715,6 7.379,7 0.571,8 3.951,9 4.076,10 3.512,11 3.442,12 5.057,13 3.438,14 4.492,15 4.669,16 3.889,17 3.847,18 5.532,19 3.821,20 4.741,21 4.964,22 3.948,23 3.929,24 5.771,25 3.887,26 4.704,27 4.927,28 3.959,29 3.926,30 5.785,31 3.893,32 4.691,33 4.894,34 3.876,35 3.964,36 5.771,37 3.905,38 4.717,39 4.934,40 3.799,41 3.935,42 5.764,43 3.852,44 4.704,45 4.952,46 3.661,47 3.821,48 5.748,49 3.71,50 4.597,51 4.868,52 3.343,53 3.601,54 5.562,55 3.463,56 0.081,57 0.72,58 9.864,59 3.983,60 11.034,61 5.337,62 0.206,63 1.143,64 18.476,65 6.804,66 21.067,67 9.448,68 0.423,69 1.327,70 25.864,71 7.871,72 39.947,73 11.701,74 0.427,75 1.342,76 24.629,77 7.313,78 38.995,79 10.816,80 0.34,81 1.34,82 23.395,83 7.39,84 40.603,85 10.886,86 0.371,87 1.304,88 24.586,89 8.016,90 40.15,91 11.787,92 0.428,93 1.195,94 25.286,95 8.053,96 53.644,97 12.208,98 0.459,99 0.963,100 23.958,101 7.218,102 51.723,103 10.821,104 12,105 40,106 0.273,107 0.649,108 0.792,109 0.84,110 0.84,111 0.84,112 3.268,113 0.925,114 -4.62,115 -4.54,116 -4.27,118 39.1,119 1,120 4,124 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 9,172 1,173 1,175 2,178 6,180 1,181 1,182 9,184 1,186 2,188 3,191 2,192 10,194 3,195 3,197 2,199 4,201 1,204 7,206 1,208 4,211 6,213 2,214 1,215 5,218 1,220 3,223 7,225 3,227 1,228 2,231 2,232 1,233 2,234 1,235 6,237 2,239 2,240 1,242 1,243 1,245 2,247 3,252 3,257 2,264 897,265 17.215,266 17.215,267 17.215,268 17.215,269 17.215,270 15.331,271 15.641,272 10.166,273 17.703,274 13.797,275 13.797,276 13.797,277 13.797,278 13.797,279 10.889,280 13.455,281 4.721,282 14.53,283 3.933,284 1.74,285 0.902,286 0.625,287 0.625,288 0.625,289 3.964,292 1,293 1,294 1,295 512,296 2.55,299 105.539,300 133.16,303 94.479,307 1.414,308 25.213,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 54.5,320 234,321 4.764,322 3.392,323 7.05,324 4.311,325 3.348,326 4.733,327 0.86,328 12.146,329 3.225,330 4.242,331 3.131,332 6.268,333 3.831,334 2.874,335 3.899,337 9.353,338 2.748,339 3.882,340 2.79,341 6.056,342 3.625,343 2.664,344 3.246,346 8.647,347 2.558,348 3.703,349 2.464,350 5.733,351 3.308,352 2.356,353 3.106,355 7.565,356 2.235,357 3.239,358 2.062,359 5.079,360 2.949,361 1.995,362 2.365,364 5.69,365 1.898,366 3.013,367 2.011,368 4.51,369 2.505,370 1.59,371 2.249,373 4.32,374 1.45,375 2.859,376 1.539,377 4.237,378 2.423,379 1.48,380 1.989,382 3.712,383 1.39,384 2.64,385 1.413,386 4.171,387 2.307,388 1.343,389 1.686,391 3.527,392 1.291,393 2.469,394 1.337,395 3.664,396 2.06,397 1.129,398 1.461,400 2.593,401 1.043,402 2.177,403 1.038,404 3.257,405 1.907,406 0.965,407 1.141,409 1.918,410 0.903,411 1.854,412 0.704,413 3.217,414 1.654,415 0.678,416 0.779,417 1.698,418 0.66,419 1.618,420 0.618,421 3,422 1.618,423 0.618,424 0.618,425 1.372,426 0.618,427 1.303,428 0.39,429 2.682,430 1.01,431 0.082,432 0.095,433 0.155,434 0.075,435 1.057,436 -0.148,437 2.461,438 0.621,439 -0.291,440 -0.37,441 -0.68,442 -0.265,443 0.782,444 -0.305,445 2.336,446 0.365,447 -0.576,448 -0.707,449 -1.206,450 -0.534,451 11.667,452 0.467,453 0.572,454 0.023,455 32.25,456 1.29,457 15.5,458 0.62,459 16.75,460 0.67,461 20.82,462 0.833,463 27.333,464 0.594,465 22.788,466 0.912,467 5.875,468 0.235,469 6.311,470 0.252,471 0.106,473 0.377,478 0.926,479 1.284,480 0.806,481 1.091,482 0.998,483 0.953,484 0.867,485 1.168,486 0.807,487 1.065,488 0.587,489 0.951,490 1.025,491 1.155,492 0.843,493 0.937,494 0.75,495 0.87,496 1.054,497 0.94,498 0.888,499 0.825,500 0.942,501 0.819,502 1.102,503 1.158,504 1.155,505 1.08,506 1.166,507 1.104,508 0.967,509 1.156,510 1.134,511 1.159,512 1.264,513 1.167,514 0.687,515 1.079,516 1.019,517 1.153,518 0.873,519 1.139,520 0.979,521 0.841,522 1.079,523 1.021,524 1.269,525 1.06,526 4,527 0.041,528 3.111,529 1.944,530 1.767,531 0.886,532 0.591,533 0.398,534 0.228,535 0.142,536 6586,537 16211,538 2.13,539 45.7,540 4,541 6,543 1,544 3,546 7,549 1.686,550 2,551 3.17,552 1.005,553 1,554 1,558 73.177,559 1.591,560 3.783,561 4.621,562 4.898,563 4.898,564 4.898,565 2.695,566 4.324,567 4.61,568 3.306,569 991.872,570 8.008,571 11500.2,573 1,575 1,576 254.084,577 1.388,578 4.579,579 0.143,580 0.005,581 0.078,582 0.047,583 0.042,584 0.023,585 0.017,586 0.014,587 0.012,588 0.01,589 0.392,590 0.17,591 1,592 0.924,593 118.024,594 -0.048,595 -0.047,596 0.048,597 0.004,598 -0.105,599 0.035,600 0.041,601 -0.042,602 0.101,603 -0.02,604 0.115,605 0.035,606 0.041,607 -0.141,608 0.136,609 0.039,610 0.133,611 0.093,612 -0.024,613 0.145,614 0.082,615 0.12,616 0.014,617 0.116,618 -0.176,619 -0.037,620 -0.228,621 -0.096,622 -0.119,623 -0.154,624 -0.054,625 -0.102,626 -0.194,627 -0.165,628 -0.159,629 -0.196,630 0.175,631 -0.103,632 -0.052,633 -0.176,634 0.12,635 -0.154,636 0.075,637 0.046,638 -0.062,639 -0.068,640 -0.059,641 -0.081,642 1.585,643 4.221,644 0.8,645 20.675,646 1.005,647 1.135,648 3.386,649 11.463,650 0.653,651 3.367,652 3.714,653 4.06,654 4.394,655 4.625,656 4.804,657 4.984,658 5.136,659 5.187,660 5.176,661 5.452,662 0.625,663 339.44,664 3.367,665 4.92,666 5.802,667 6.708,668 7.614,669 8.531,670 9.448,671 10.371,672 11.293,673 12.219,674 10.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,714 1,716 46,718 16,719 1,720 28,722 49,723 18,724 11,725 3,726 3,728 4,729 5,732 1,735 5,738 5,740 11,741 7,756 1,757 1,760 21,761 6,762 3,763 7,769 5,775 0.75,776 2,785 1,788 1,793 2,794 2,797 1,819 3,823 1,827 25,828 1,832 1,833 5,835 1,837 1,850 4.3,852 1,855 1,858 12.5,859 8.417,860 5.528,861 3.039,863 3.102,864 1.417,865 0.978,866 4.318,867 10.548,868 3.611,869 4.259,870 4.941,871 5.615,872 6.195,873 6.629,874 7.102,875 7.565,876 7.861,877 8.155,878 1,879 41,880 9.246,881 4.001,882 7.7,883 17.788,884 14.963,885 2.2,886 55,889 1,890 211.88,891 78.405,892 84.908,894 53.683,897 78.405,898 265.563,899 84.908,900 8.825,901 14.731,902 61.326,903 106.404,904 35.154,905 2.328,906 200.109,908 211.88,909 163.313,910 53.683,913 129.482,914 136.081,917 38.423,918 74.656,919 50.234,921 211.88,922 138.591,923 78.405,926 211.88,927 32.532,928 47.649,930 136.814,931 211.88,932 138.591,933 78.405,935 0.578,936 0.354,937 0.207,938 0.111,939 21,940 9,941 0.082,942 4,943 1,944 1.1,945 3.626,946 220.874,947 0.1,948 20,949 112.096,954 16.308,955 6.619,956 2.856,957 1.487,958 136.814,959 6.745,960 13.355,964 2.397,965 1.975,966 75.581,967 428.876,968 36,980 46.232,981 52.232,983 0.288,984 0.685,985 0.837,986 0.887,987 0.887,988 0.887,989 4.86,990 1.343,991 5.796,992 3.712,993 4.394,994 4.945,995 0.908,996 6.668,997 4.301,998 6.078,999 1.129,1000 7.388,1001 3.527,1002 4.007,1003 4.856,1005 7.689,1006 3.871,1007 7.407,1008 0.965,1009 9.086,1010 2.593,1011 6.033,1012 7.241,1013 0.739,1014 10.856,1015 5.861,1016 8.781,1017 0.678,1018 10.847,1019 1.918,1020 6.524,1021 8.046,1023 12.743,1024 6.312,1025 10.192,1026 0.618,1027 12.649,1028 1.698,1029 7.997,1030 9.9,1031 0.593,1032 15.432,1033 7.752,1034 11.631,1035 0.082,1036 14.479,1037 1.372,1038 8.876,1039 11.109,1041 17.668,1042 8.591,1043 13.091,1044 -0.291,1045 16.329,1046 0.155,1047 10.15,1048 12.765,1049 0.469,1050 20.211,1051 9.833,1052 3.348,1053 -0.576,1054 18.194,1055 -0.68,1056 11.201,1057 14.158,1059 22.594,1060 10.845,1061 2.874,1062 12.146,1063 20.071,1064 -1.206,1065 12.408,1066 15.74,1067 0.366,1068 25.094,1069 12.018,1070 2.664,1071 9.353,1072 21.959,1073 4.733,1074 13.534,1075 17.218,1077 27.541,1078 13.107,1079 2.356,1080 8.647,1081 23.854,1082 3.899,1083 14.723,1084 18.774,1085 0.283,1086 30.031,1087 14.261,1088 1.995,1089 7.565,1090 25.757,1091 3.246,1092 15.885,1093 20.29,1095 32.504,1096 15.387,1097 1.59,1098 5.69,1099 27.666,1100 3.106,1101 17.073,1102 21.839,1103 0.217,1104 34.995,1105 16.539,1106 1.48,1107 4.32,1108 29.58,1109 2.365,1110 18.253,1111 23.373,1113 37.48,1114 17.682,1115 6332,1116 10081,1117 18.898,1118 30.029,1119 42.094,1120 42.641,1121 43.914,1122 42.316,1123 42.243,1124 54.735,1125 1.72,1126 125.391,1127 40.189,1128 5.665,1129 5.392,1130 6.816,1131 5.386,1132 5.348,1133 7.733,1134 1.72,1135 19.685,1136 5.225,1137 10.923,1138 1.503,1139 1.523,1140 1.568,1141 1.511,1142 1.509,1143 1.955,1144 0.061,1145 4.478,1146 1.435,1147 4.145,1148 4.192,1149 4.124,1150 4.004,1151 6.47,1152 4.027,1153 3.87,1154 3.898,1155 3.814,1156 3.767,1157 5.254,1158 3.771,1159 3.779,1160 3.83,1161 3.663,1162 3.653,1163 4.876,1164 3.652,1165 3.464,1166 3.535,1167 3.3,1168 3.26,1169 4.729,1170 3.252,1171 3.274,1172 3.366,1173 3.185,1174 3.002,1175 4.512,1176 3.041,1177 3.031,1178 3.117,1179 2.937,1180 2.811,1181 4.297,1182 2.831,1183 2.932,1184 2.979,1185 2.804,1186 2.746,1187 4.14,1188 2.748,1189 2.869,1190 2.975,1191 2.69,1192 2.671,1193 3.734,1194 2.635,1195 0.17,1196 0.121,1197 0.252,1198 0.154,1199 0.12,1200 4.764,1201 0.169,1202 3.392,1203 0.031,1204 7.05,1205 0.434,1206 4.311,1207 0.115,1208 3.348,1209 4.733,1210 0.86,1211 12.146,1212 3.225,1213 1.925,1214 1.908,1215 1.993,1216 2.036,1217 1.243,1218 2.018,1219 1.788,1220 1.745,1221 1.891,1222 1.978,1223 1.211,1224 1.954,1225 1.59,1226 1.534,1227 1.86,1228 1.794,1229 1.119,1230 1.793,1231 1.577,1232 1.507,1233 1.796,1234 1.751,1235 0.938,1236 1.789,1237 1.454,1238 1.38,1239 1.734,1240 1.684,1241 0.829,1242 1.714,1243 1.122,1244 1.066,1245 1.248,1246 1.378,1247 0.285,1248 1.353,1249 0.883,1250 0.839,1251 1.154,1252 1.225,1253 0.148,1254 1.206,1255 0.871,1256 0.78,1257 1.12,1258 1.134,1259 0.119,1260 1.13,1261 4.043,1263 5.38,1264 3.045,1265 6.919,1266 5.352,1267 8.557,1268 7.455,1269 10.249,1271 1.877,1275 6.13,1276 10.221,1277 5.077,1279 5.4,1281 0.335,1289 28.751,1290 73.177,1291 174.026,1292 212.574,1293 225.329,1294 225.329,1295 225.329,1296 39.013,1297 7.447,1298 99.08,1299 99.08,1300 22,1301 12.724,1302 4.087,1303 3.17,1304 35.696,1305 79,1306 103,1307 0.223,1308 175.331,1309 291.92,1310 419.568,1311 15235,1313 17.389,1314 0.696,1315 0.566,1316 17.389,1317 14.144,1318 12.186,1319 0.435,1320 0.308,1321 8.508,1322 11.656,1323 8.356,1324 6.904,1325 12.186,1326 8.636,1327 10.857,1328 0.271,1329 0.158,1330 10.857,1331 6.304,1332 9.595,1333 0.168,1334 0.083,1335 9.595,1336 4.721,1337 8.491,1338 0.106,1339 0.044,1340 8.491,1341 3.543,1342 6.646,1343 0.066,1344 0.021,1345 6.646,1346 2.083,1347 0.337,1348 76.743,1349 0.23,1350 23.727,1351 0.651,1352 136,1353 383.778,1354 151.083,1355 370.2,1356 519.75,1357 348,1358 165,1359 402.778,1360 181.389,1361 402.463,1362 597.89,1363 381,1364 5.903}
{0 CHEMBL1242290,1 1.623,2 8.043,3 2.393,4 5.728,5 89.489,6 7.462,7 0.64,8 3.853,9 3.979,10 3.423,11 3.302,12 5.012,13 3.31,14 4.363,15 4.551,16 3.776,17 3.653,18 5.436,19 3.658,20 4.478,21 4.654,22 3.9,23 3.794,24 5.602,25 3.791,26 4.63,27 4.834,28 3.903,29 3.879,30 5.741,31 3.844,32 4.672,33 4.887,34 3.732,35 3.876,36 5.673,37 3.8,38 4.593,39 4.812,40 3.668,41 3.799,42 5.629,43 3.707,44 4.649,45 4.927,46 3.469,47 3.657,48 5.626,49 3.534,50 4.442,51 4.725,52 3.228,53 3.38,54 5.353,55 3.255,56 0.074,57 0.645,58 8.791,59 3.433,60 9.889,61 4.65,62 0.319,63 0.962,64 16.998,65 5.361,66 24.779,67 7.485,68 0.335,69 1.127,70 18.27,71 5.685,72 21.751,73 8.306,74 0.38,75 1.253,76 21.995,77 7.013,78 34.056,79 10.119,80 0.44,81 1.226,82 23.669,83 7.242,84 35.001,85 10.633,86 0.283,87 1.146,88 21.271,89 7.188,90 28.39,91 10.803,92 0.526,93 1.037,94 25.127,95 6.974,96 49.723,97 11.085,98 0.43,99 0.765,100 21.098,101 6.078,102 35.612,103 9.318,104 35,105 36,106 0.285,107 0.642,108 0.755,109 0.783,110 0.791,111 0.8,112 3.19,113 0.873,114 -4.13,115 -4.08,116 -3.86,118 38.1,119 2,123 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 9,172 1,173 1,175 1,178 4,180 1,181 2,182 9,188 3,191 2,192 9,194 3,195 3,197 1,199 3,201 1,203 1,204 6,208 2,211 2,213 2,214 2,215 5,220 3,223 4,225 3,227 3,230 1,231 1,235 2,239 2,240 2,242 1,243 1,252 2,264 693,265 15.516,266 15.516,267 15.516,268 15.516,269 15.516,270 13.685,271 16.719,272 8.859,273 16.122,274 12.176,275 12.176,276 12.176,277 12.176,278 12.176,279 9.221,280 15.44,281 3.957,282 12.956,283 3.77,284 1.735,285 1.09,286 0.929,287 0.881,288 0.834,289 3.865,292 1,293 1,294 1,295 388,296 3,299 45.628,300 122.786,303 87.031,307 1.18,308 19.892,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 50.5,320 185,321 4.76,322 3.383,323 7.039,324 4.302,325 3.339,326 4.732,327 0.86,328 12.088,329 3.218,330 4.261,331 3.178,332 6.238,333 3.84,334 2.891,335 3.916,336 0.86,337 9.305,338 2.742,339 3.822,340 2.685,341 6.061,342 3.498,343 2.548,344 3.219,346 8.521,347 2.415,348 3.704,349 2.448,350 5.709,351 3.304,352 2.353,353 3.111,355 7.436,356 2.231,357 3.033,358 2.178,359 4.82,360 2.684,361 1.743,362 2.258,364 4.818,365 1.636,366 2.989,367 1.823,368 4.515,369 2.523,370 1.614,371 2.128,373 4.317,374 1.461,375 2.919,376 1.561,377 4.33,378 2.461,379 1.521,380 2.057,382 3.974,383 1.424,384 2.532,385 1.156,386 3.862,387 2.018,388 1.077,389 1.545,391 2.765,392 1.01,393 2.136,394 0.976,395 3.493,396 1.796,397 0.837,398 1.048,400 2.067,401 0.799,402 1.863,403 0.933,404 3.04,405 1.532,406 0.633,407 0.758,409 1.166,410 0.563,411 1.453,412 0.816,413 2.702,414 1.184,415 0.334,416 0.364,417 0.445,418 0.282,419 1.061,420 -0.002,421 2.466,422 0.636,423 -0.28,424 -0.352,425 -0.631,426 -0.256,427 0.867,428 -0.169,429 2.413,430 0.475,431 -0.449,432 -0.557,433 -0.867,434 -0.409,435 0.62,436 -0.56,437 2.257,438 0.166,439 -0.772,440 -1,441 -2,442 -0.714,443 0.569,444 -0.771,445 2.199,446 0.083,447 -0.862,448 -1.009,449 -2.058,450 -0.81,451 10.667,452 0.464,453 0.61,454 0.027,455 31,456 1.348,457 15.5,458 0.674,459 15.5,460 0.674,461 17.855,462 0.776,463 25.333,464 0.603,465 22.634,466 0.984,467 6.201,468 0.27,469 4.861,470 0.211,471 0.225,473 0.413,478 0.907,479 1.422,480 0.783,481 1.221,482 1.05,483 1.012,484 1.234,485 0.961,486 0.729,487 0.736,488 0.877,489 0.665,490 1.009,491 1.258,492 0.854,493 0.981,494 0.805,495 0.89,496 0.974,497 1.058,498 0.972,499 1.04,500 0.96,501 1.007,502 1.212,503 1.07,504 1.219,505 1.055,506 1.123,507 1.123,508 0.67,509 1.345,510 1.077,511 1.359,512 0.947,513 1.299,514 0.761,515 0.874,516 1.021,517 0.989,518 1.201,519 1.029,520 0.873,521 0.851,522 0.871,523 0.952,524 0.644,525 0.927,526 4.5,527 0.012,528 3.111,529 2.167,530 1.967,531 0.952,532 0.566,533 0.458,534 0.265,535 0.081,536 4696,537 12995,538 2.016,539 45.2,541 10,543 1,544 2,546 6,549 1.665,550 1.84,551 3.011,552 0.364,553 1,554 1,556 1,558 68.157,559 1.623,560 3.658,561 4.302,562 4.463,563 4.511,564 4.559,565 2.442,566 4.317,567 4.494,568 3.131,569 792.026,570 7.779,571 8689.32,572 1,573 1,575 1,576 226.477,577 1.538,578 4.428,579 0.18,580 0.004,581 0.086,582 0.054,583 0.05,584 0.03,585 0.02,586 0.021,587 0.016,588 0.008,589 0.469,590 0.33,591 1,592 1.059,593 104.782,594 -0.018,595 -0.176,596 0.065,597 -0.126,598 -0.145,599 -0.03,600 -0.064,601 0.123,602 0.229,603 0.268,604 0.072,605 0.289,606 0.009,607 -0.101,608 0.064,609 0.023,610 0.083,611 0.055,612 -0.022,613 0.052,614 -0.041,615 -0.054,616 0.026,617 -0.056,618 -0.22,619 -0.018,620 -0.275,621 -0.067,622 -0.209,623 -0.164,624 0.059,625 -0.295,626 -0.166,627 -0.337,628 -0.019,629 -0.3,630 0.135,631 0.046,632 -0.019,633 -0.059,634 -0.073,635 -0.058,636 0.186,637 -0.036,638 0.17,640 0.291,641 0.07,642 1.258,643 2.074,644 0.652,645 16.658,646 1.008,647 1.138,648 2.905,649 8.439,650 0.649,651 3.258,652 3.611,653 3.951,654 4.263,655 4.511,656 4.644,657 4.736,658 4.844,659 4.852,660 4.779,661 4.979,662 0.624,663 313.4,664 3.258,665 4.812,666 5.694,667 6.603,668 7.509,669 8.427,670 9.342,671 10.264,672 11.183,673 12.107,674 11.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 42,718 16,719 1,720 25,722 44,723 16,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 5,756 1,757 1,760 19,761 6,762 2,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,823 4,827 23,828 1,835 2,837 1,850 4.8,855 2,858 12.5,859 8.883,860 5.194,861 2.364,863 3.16,864 1.448,865 0.961,866 4.199,867 10.213,868 3.526,869 4.201,870 4.904,871 5.578,872 6.16,873 6.574,874 7.012,875 7.46,876 7.737,877 8.008,878 1,879 40,880 8.425,881 3.48,882 7.717,883 15.953,884 12.613,885 2.217,886 51,889 1,890 200.109,891 99.509,892 84.908,894 22,897 99.509,898 222.109,899 84.908,900 39.417,902 61.326,903 63.72,904 51.397,905 2.328,906 188.338,908 200.109,909 184.417,910 22,913 129.482,914 92.626,917 32.518,918 101.665,919 50.234,921 200.109,922 106.908,923 99.509,926 200.109,927 23.045,928 78.24,930 105.131,931 200.109,932 106.908,933 99.509,935 0.582,936 0.365,937 0.207,938 0.115,939 18,940 9,941 0.091,942 4,943 1,944 1.133,945 3.313,946 192.166,947 0.133,948 15,949 102.042,954 15.716,955 6.144,956 2.644,957 1.464,958 105.131,959 7.086,960 13.128,964 3.3,965 1.847,966 32.897,967 406.526,968 33,980 42.349,981 47.817,983 0.301,984 0.678,985 0.798,986 0.828,987 0.837,988 0.845,989 4.771,990 1.077,991 5.707,992 3.974,993 4.29,994 4.887,995 1.376,996 6.594,997 4.182,998 6.014,999 0.837,1000 7.318,1001 2.765,1002 4.007,1003 4.856,1005 7.667,1006 3.871,1007 7.355,1008 0.633,1009 9.03,1010 2.067,1011 5.953,1012 7.221,1013 1.159,1014 10.806,1015 5.761,1016 8.74,1017 0.334,1018 10.801,1019 1.166,1020 6.494,1021 8.043,1023 12.707,1024 6.269,1025 10.16,1026 -0.28,1027 12.61,1028 0.445,1029 7.936,1030 9.896,1031 0.963,1032 15.387,1033 7.671,1034 11.605,1035 -0.449,1036 14.443,1037 -0.631,1038 8.838,1039 11.109,1041 17.627,1042 8.537,1043 13.07,1044 -0.772,1045 16.296,1046 -0.867,1047 10.101,1048 12.765,1049 0.787,1050 20.163,1051 9.765,1052 3.339,1053 -0.862,1054 18.162,1055 -2,1056 11.161,1057 14.16,1059 22.546,1060 10.789,1061 2.891,1062 12.088,1063 20.041,1064 -2.058,1065 12.364,1066 15.742,1067 0.634,1068 25.041,1069 11.959,1070 2.548,1071 9.305,1072 21.928,1073 4.732,1074 13.495,1075 17.22,1077 27.485,1078 13.054,1079 2.353,1080 8.521,1081 23.824,1082 3.916,1083 14.682,1084 18.775,1085 0.504,1086 29.971,1087 14.208,1088 1.743,1089 7.436,1090 25.727,1091 3.219,1092 15.845,1093 20.291,1095 32.44,1096 15.336,1097 1.614,1098 4.818,1099 27.635,1100 3.111,1101 17.031,1102 21.84,1103 0.395,1104 34.926,1105 16.489,1106 1.521,1107 4.317,1108 29.549,1109 2.258,1110 18.211,1111 23.374,1113 37.407,1114 17.633,1115 4745,1116 8015,1117 16.126,1118 27.267,1119 37.904,1120 38.54,1121 40.613,1122 37.69,1123 37.778,1124 50.272,1125 3.44,1126 113.803,1127 35.566,1128 5.444,1129 5.383,1130 6.593,1131 5.375,1132 5.339,1133 7.732,1134 1.72,1135 19.554,1136 5.218,1137 13.249,1138 1.516,1139 1.542,1140 1.625,1141 1.508,1142 1.511,1143 2.011,1144 0.138,1145 4.552,1146 1.423,1147 4.133,1148 4.18,1149 4.116,1150 3.994,1151 5.257,1152 4.017,1153 3.856,1154 3.876,1155 3.813,1156 3.735,1157 4.943,1158 3.752,1159 3.577,1160 3.654,1161 3.445,1162 3.407,1163 4.837,1164 3.399,1165 3.298,1166 3.359,1167 3.191,1168 3.052,1169 4.518,1170 3.081,1171 3.247,1172 3.314,1173 3.051,1174 2.951,1175 4.494,1176 2.96,1177 3.123,1178 3.22,1179 2.96,1180 2.855,1181 4.262,1182 2.867,1183 2.988,1184 3.098,1185 2.858,1186 2.684,1187 4.034,1188 2.719,1189 2.874,1190 3.009,1191 2.594,1192 2.636,1193 3.686,1194 2.616,1195 0.19,1196 0.135,1197 0.282,1198 0.172,1199 0.134,1200 4.76,1201 0.189,1202 3.383,1203 0.034,1204 7.039,1205 0.484,1206 4.302,1207 0.129,1208 3.339,1209 4.732,1210 0.86,1211 12.088,1212 3.218,1213 1.926,1214 1.909,1215 1.993,1216 2.04,1217 1.154,1218 2.021,1219 1.795,1220 1.749,1221 1.945,1222 1.989,1223 1.115,1224 1.973,1225 1.612,1226 1.549,1227 1.774,1228 1.818,1229 0.836,1230 1.815,1231 1.238,1232 1.18,1233 1.576,1234 1.525,1235 0.574,1236 1.54,1237 1.191,1238 1.115,1239 1.564,1240 1.521,1241 0.572,1242 1.534,1243 1.063,1244 0.978,1245 1.417,1246 1.366,1247 0.469,1248 1.348,1249 0.934,1250 0.804,1251 1.244,1252 1.239,1253 0.255,1254 1.308,1255 0.86,1256 0.769,1257 1.142,1258 1.191,1259 0.142,1260 1.181,1261 3.932,1263 5.273,1264 2.398,1265 6.825,1266 4.844,1267 8.475,1268 7.081,1269 10.176,1271 7.294,1275 6.074,1279 10.655,1281 0.153,1289 26.224,1290 68.157,1291 153.617,1292 180.703,1293 187.458,1294 189.458,1295 191.458,1296 32.937,1297 7.053,1298 88.08,1299 88.08,1300 17,1301 12.614,1302 4.087,1303 3.17,1304 36.53,1305 67,1306 74,1307 0.274,1308 163.54,1309 269.68,1310 390.797,1311 9092,1313 16.56,1314 0.72,1315 0.59,1316 16.56,1317 13.569,1318 11.062,1319 0.442,1320 0.291,1321 7.113,1322 10.432,1323 6.814,1324 5.755,1325 11.062,1326 7.275,1327 9.867,1328 0.274,1329 0.15,1330 9.867,1331 5.414,1332 8.628,1333 0.169,1334 0.072,1335 8.628,1336 3.664,1337 7.43,1338 0.106,1339 0.036,1340 7.43,1341 2.541,1342 6.035,1343 0.067,1344 0.019,1345 6.035,1346 1.722,1347 0.41,1348 70.746,1349 0.249,1350 21.854,1351 0.818,1352 122,1353 381.364,1354 137.193,1355 363.05,1356 506.81,1357 342,1358 148,1359 387.384,1360 164.72,1361 392.117,1362 575.5,1363 365,1364 5.456}
{0 CHEMBL1242293,1 1.511,2 7.364,3 1.628,4 2.652,5 85.445,6 7.929,7 0.8,8 3.758,9 3.898,10 3.39,11 3.265,12 4.922,13 3.275,14 4.254,15 4.44,16 3.784,17 3.663,18 5.363,19 3.661,20 4.426,21 4.633,22 3.811,23 3.739,24 5.518,25 3.721,26 4.496,27 4.731,28 3.775,29 3.75,30 5.6,31 3.71,32 4.403,33 4.621,34 3.603,35 3.685,36 5.426,37 3.622,38 4.341,39 4.55,40 3.589,41 3.627,42 5.478,43 3.565,44 4.437,45 4.71,46 3.326,47 3.526,48 5.426,49 3.414,50 4.246,51 4.57,52 2.977,53 3.225,54 5.11,55 3.077,56 0.071,57 0.654,58 6.931,59 2.648,60 8.881,61 3.598,62 0.197,63 1.013,64 12.99,65 4.554,66 17.242,67 6.415,68 0.2,69 1.138,70 16.22,71 5.008,72 18.629,73 7.361,74 0.373,75 1.16,76 18.661,77 5.585,78 33.635,79 8.181,80 0.222,81 1.054,82 16.189,83 5.243,84 20.606,85 7.589,86 0.224,87 1.009,88 14.752,89 5.122,90 27.347,91 7.304,92 0.287,93 0.959,94 19.094,95 5.422,96 35.011,97 8.328,98 0.312,99 0.706,100 17.918,101 5.013,102 29.848,103 7.915,104 11,105 37,106 0.268,107 0.689,108 0.82,109 0.83,110 0.83,111 0.83,112 3.149,113 0.849,114 -4.08,115 -4.03,116 -3.82,118 40.5,119 2,126 1,138 2,139 3,141 1,142 1,143 1,144 1,147 1,156 2,158 1,159 1,160 1,161 1,167 3,170 2,171 9,172 1,173 2,175 3,178 4,180 1,181 1,182 6,186 1,188 2,191 3,192 7,194 3,195 3,197 2,199 3,201 1,203 1,204 4,208 1,211 3,213 1,214 2,215 5,217 1,218 2,220 4,223 2,225 3,228 4,231 1,233 1,235 2,237 1,243 2,244 1,246 1,247 2,257 2,264 596,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.687,271 9.487,272 8.559,273 15.31,274 12.338,275 12.338,276 12.338,277 12.338,278 12.338,279 8.888,280 7.5,281 4.022,282 12.948,283 3.699,284 1.318,285 0.581,286 0.527,287 0.527,288 0.527,289 3.844,292 1,293 1,294 1,295 358,296 2.646,299 81.99,300 94.212,303 147.247,307 1.091,308 16.75,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47.5,320 162,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.219,330 4.414,331 2.939,332 6.253,333 3.896,334 2.93,335 4.353,337 9.393,338 2.831,339 3.852,340 2.666,341 6.073,342 3.512,343 2.557,344 3.301,346 8.572,347 2.441,348 3.746,349 2.404,350 5.713,351 3.329,352 2.37,353 3.179,355 7.457,356 2.27,357 3.056,358 1.822,359 4.82,360 2.684,361 1.743,362 2.328,364 4.819,365 1.637,366 3.034,367 1.55,368 4.518,369 2.488,370 1.55,371 2.3,373 4.378,374 1.451,375 3.009,376 1.533,377 4.333,378 2.479,379 1.533,380 2.133,382 4.044,383 1.445,384 2.636,385 1.155,386 3.864,387 2.093,388 1.153,389 1.7,391 2.795,392 1.082,393 2.47,394 1,395 3.509,396 1.959,397 1,398 1.457,400 2.398,401 0.957,402 2.133,403 0.837,404 3.419,405 1.765,406 0.806,407 1.036,409 2.014,410 0.771,411 1.885,412 0.401,413 3.036,414 1.339,415 0.396,416 0.588,417 0.984,418 0.373,419 1.061,420 -0.155,421 2.652,422 0.627,423 -0.288,424 -0.367,425 -0.673,426 -0.263,427 0.846,428 -0.59,429 2.424,430 0.371,431 -0.59,432 -0.818,433 -1.644,434 -0.565,435 0.628,436 -0.797,437 2.259,438 0.103,439 -0.841,440 -1,441 -2,442 -0.787,443 0.545,444 -0.907,445 2.206,446 0.024,447 -0.922,448 -1.149,449 -2.365,450 -0.874,451 10.3,452 0.468,453 0.61,454 0.028,455 32,456 1.455,457 16.5,458 0.75,459 15.5,460 0.705,461 15.447,462 0.702,463 22.7,464 0.614,465 21.295,466 0.968,467 6.117,468 0.278,469 4.531,470 0.206,471 0.136,473 0.427,478 0.967,479 1.339,480 0.736,481 1.004,482 1.093,483 0.86,484 0.804,485 1.07,486 0.675,487 0.862,488 0.633,489 0.766,490 1.151,491 1.281,492 0.89,493 1.005,494 0.841,495 0.92,496 1.028,497 0.815,498 0.944,499 0.817,500 1.014,501 0.857,502 1.172,503 1.127,504 1.155,505 1.129,506 1.041,507 1.137,508 0.906,509 1.185,510 1.127,511 1.28,512 1.139,513 1.249,514 1.205,515 1.029,516 1.209,517 1.095,518 1.524,519 1.143,520 0.827,521 0.59,522 0.885,523 0.725,524 0.827,525 0.8,526 4,528 2.889,529 1.986,530 1.682,531 0.747,532 0.484,533 0.336,534 0.173,535 0.056,536 4631,537 11997,538 2.148,539 40.5,541 3,542 1,543 2,544 3,546 6,549 1.652,550 2,551 2.918,552 1.114,553 1,554 1,556 1,558 55.892,559 1.511,560 3.891,561 4.628,562 4.682,563 4.682,564 4.682,565 2.244,566 4.096,567 4.433,568 3.039,569 701.894,570 7.649,571 7411.73,572 1,573 1,575 1,576 192.75,577 1.437,578 4.388,579 0.16,581 0.078,582 0.054,583 0.048,584 0.026,585 0.017,586 0.017,587 0.012,588 0.009,589 0.421,590 0.67,591 1,592 0.797,593 98.122,594 -0.052,595 -0.143,596 0.052,597 -0.019,598 -0.196,599 0.026,600 0.162,601 0.04,602 0.196,603 0.113,604 0.172,605 0.153,606 -0.129,607 -0.219,608 0.022,609 -0.054,610 0.031,611 -0.001,612 0.06,613 0.212,614 0.016,615 0.12,616 0.057,617 0.071,618 -0.216,619 -0.097,620 -0.237,621 -0.158,622 -0.145,623 -0.194,624 0.044,625 -0.139,626 -0.224,627 -0.31,628 -0.007,629 -0.313,630 -0.186,631 -0.118,632 -0.186,633 -0.142,634 -0.326,635 -0.16,636 0.15,637 0.198,638 0.241,639 0.261,640 0.188,641 0.265,642 1.235,643 2.069,644 0.818,645 14.281,646 1.007,647 1.139,648 2.854,649 8.145,650 0.678,651 3.258,652 3.638,653 3.989,654 4.331,655 4.564,656 4.718,657 4.844,658 4.997,659 5.011,660 5.063,661 4.727,662 0.656,663 293.37,664 3.258,665 4.828,666 5.72,667 6.637,668 7.55,669 8.473,670 9.393,671 10.318,672 11.241,673 12.168,674 18.9,678 1,682 2,684 4,689 4,690 5,691 4,692 1,695 3,696 1,697 20,708 1,716 37,718 20,720 25,722 40,723 15,724 12,728 4,729 6,732 2,738 1,740 12,741 3,756 1,757 1,760 15,761 5,762 3,763 7,769 7,775 0.5,785 1,787 1,788 1,789 1,793 2,794 2,797 2,819 2,823 2,827 22,828 1,837 1,858 11,859 7.333,860 4.694,861 2.209,863 4.036,864 1.548,865 1.047,866 2.876,867 11.394,868 3.584,869 4.311,870 5.047,871 5.756,872 6.317,873 6.781,874 7.281,875 7.804,876 8.115,877 8.545,878 0.8,879 37,880 8.064,881 3.484,882 7.659,883 15.387,884 12.822,885 2.159,886 47.5,890 141.253,891 80.163,892 118.479,897 80.163,898 141.253,899 118.479,900 17.65,902 60.897,903 93.992,904 47.316,905 14.099,906 105.94,908 141.253,909 198.642,913 70.627,914 70.627,917 60.066,918 71.557,919 67.02,921 141.253,922 118.479,923 80.163,926 141.253,927 16.847,928 65.093,929 16.786,930 99.917,931 141.253,932 118.479,933 80.163,935 0.595,936 0.361,937 0.208,938 0.113,939 21,940 9,941 0.05,942 2,943 2,944 1.222,945 3.351,946 189.252,947 0.222,948 18,949 94.107,954 13.225,955 4.784,956 1.994,957 3.389,958 99.917,959 9.141,960 17.566,961 3.084,964 2.094,965 1.865,966 49.683,967 339.895,968 35,980 37.247,981 42.149,983 0.29,984 0.747,985 0.888,986 0.899,987 0.899,988 0.899,989 4.828,990 1.153,991 5.733,992 4.044,993 4.317,994 4.997,996 6.621,997 4.228,998 6.086,999 1,1000 7.339,1001 2.795,1002 4.007,1003 4.956,1005 7.667,1006 3.897,1007 7.431,1008 0.806,1009 9.047,1010 2.398,1011 5.979,1012 7.379,1014 10.823,1015 5.814,1016 8.82,1017 0.396,1018 10.814,1019 2.014,1020 6.509,1021 8.216,1023 12.718,1024 6.323,1025 10.245,1026 -0.288,1027 12.62,1028 0.984,1029 7.965,1030 10.091,1032 15.4,1033 7.732,1034 11.695,1035 -0.59,1036 14.452,1037 -0.673,1038 8.862,1039 11.321,1041 17.638,1042 8.603,1043 13.165,1044 -0.841,1045 16.304,1046 -1.644,1047 10.131,1048 12.984,1050 20.174,1051 9.831,1052 3.339,1053 -0.922,1054 18.171,1055 -2,1056 11.189,1057 14.388,1059 22.556,1060 10.858,1061 2.93,1062 12.088,1063 20.049,1064 -2.365,1065 12.395,1066 15.97,1068 25.05,1069 12.026,1070 2.557,1071 9.393,1072 21.937,1073 4.737,1074 13.524,1075 17.449,1077 27.492,1078 13.121,1079 2.37,1080 8.572,1081 23.832,1082 4.353,1083 14.711,1084 19.001,1086 29.977,1087 14.272,1088 1.743,1089 7.457,1090 25.735,1091 3.301,1092 15.873,1093 20.513,1095 32.445,1096 15.398,1097 1.55,1098 4.819,1099 27.643,1100 3.179,1101 17.058,1102 22.055,1104 34.93,1105 16.547,1106 1.533,1107 4.378,1108 29.556,1109 2.328,1110 18.236,1111 23.583,1113 37.411,1114 17.689,1115 4398,1116 7212,1117 16.819,1118 25.086,1119 39.193,1120 38.662,1121 40.034,1122 38.751,1123 38.753,1124 54.225,1126 117.881,1127 36.951,1128 5.437,1129 5.376,1130 6.567,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.194,1137 9.728,1138 1.568,1139 1.546,1140 1.601,1141 1.55,1142 1.55,1143 2.169,1145 4.715,1146 1.478,1147 4.165,1148 4.21,1149 4.143,1150 4.036,1151 5.261,1152 4.056,1153 4.014,1154 4.066,1155 3.982,1156 3.854,1157 5.058,1158 3.882,1159 3.578,1160 3.656,1161 3.445,1162 3.413,1163 4.851,1164 3.404,1165 3.409,1166 3.468,1167 3.337,1168 3.256,1169 4.519,1170 3.27,1171 3.108,1172 3.209,1173 2.994,1174 2.838,1175 4.308,1176 2.872,1177 2.975,1178 3.081,1179 2.859,1180 2.674,1181 4.066,1182 2.711,1183 2.874,1184 3.009,1185 2.741,1186 2.619,1187 3.848,1188 2.641,1189 2.845,1190 2.927,1191 2.499,1192 2.618,1193 3.662,1194 2.57,1195 0.19,1196 0.135,1197 0.282,1198 0.172,1199 0.134,1200 4.762,1201 0.189,1202 3.376,1204 7.039,1205 0.484,1206 4.303,1207 0.129,1208 3.339,1209 4.737,1211 12.088,1212 3.219,1213 1.924,1214 1.898,1215 1.978,1216 2.044,1217 1.152,1218 2.023,1219 1.796,1220 1.746,1221 1.942,1222 1.995,1223 1.1,1224 1.974,1225 1.613,1226 1.549,1227 1.768,1228 1.82,1229 0.842,1230 1.814,1231 1.464,1232 1.396,1233 1.639,1234 1.693,1235 0.61,1236 1.687,1237 1.184,1238 1.128,1239 1.417,1240 1.413,1241 0.469,1242 1.388,1243 0.934,1244 0.818,1245 1.29,1246 1.245,1247 0.354,1248 1.308,1249 0.913,1250 0.804,1251 1.179,1252 1.239,1253 0.058,1254 1.237,1255 0.769,1256 0.693,1257 0.992,1258 1.089,1259 0.014,1260 1.074,1261 3.932,1263 5.293,1264 3.045,1265 6.851,1266 5.416,1267 8.502,1268 7.554,1269 10.204,1271 4.115,1275 6.069,1281 0.175,1289 24.257,1290 55.892,1291 143.979,1292 171.24,1293 173.24,1294 173.24,1295 173.24,1296 25.706,1297 7.358,1298 98.3,1299 98.3,1300 22,1301 12.673,1302 4.392,1303 3.459,1304 29.673,1305 61,1306 56,1307 0.243,1308 149.223,1309 230.9,1310 355.864,1311 14040,1313 15.267,1314 0.694,1315 0.558,1316 15.267,1317 12.278,1318 10.648,1319 0.426,1320 0.283,1321 6.958,1322 10.19,1323 6.756,1324 5.641,1325 10.648,1326 7.071,1327 9.981,1328 0.27,1329 0.148,1330 9.981,1331 5.484,1332 8.729,1333 0.165,1334 0.069,1335 8.729,1336 3.681,1337 7.769,1338 0.104,1339 0.035,1340 7.769,1341 2.627,1342 6.227,1343 0.066,1344 0.018,1345 6.227,1346 1.719,1347 0.361,1348 66.938,1349 0.244,1350 21.001,1351 0.729,1352 124,1353 339.871,1354 136.933,1355 338.169,1356 483.89,1357 318,1358 152,1359 385.73,1360 166.46,1361 390.52,1362 577.7,1363 368,1364 6.469}
{0 CHEMBL1242294,1 1.471,2 7.364,3 2.72,4 7.396,5 87.65,6 7.694,7 0.8,8 3.772,9 3.911,10 3.381,11 3.307,12 4.909,13 3.302,14 4.272,15 4.453,16 3.776,17 3.711,18 5.348,19 3.693,20 4.462,21 4.671,22 3.802,23 3.803,24 5.51,25 3.765,26 4.538,27 4.77,28 3.773,29 3.812,30 5.604,31 3.752,32 4.453,33 4.68,34 3.595,35 3.735,36 5.436,37 3.658,38 4.37,39 4.576,40 3.576,41 3.68,42 5.453,43 3.607,44 4.475,45 4.745,46 3.32,47 3.601,48 5.436,49 3.471,50 4.307,51 4.626,52 2.986,53 3.322,54 5.122,55 3.142,56 0.055,57 0.647,58 7.452,59 2.907,60 9.079,61 3.963,62 0.141,63 1.017,64 13.597,65 5.008,66 15.86,67 7.04,68 0.163,69 1.168,70 17.409,71 5.736,72 18.407,73 8.325,74 0.297,75 1.213,76 19.746,77 6.406,78 31.47,79 9.324,80 0.181,81 1.095,82 17.883,83 5.816,84 22.392,85 8.483,86 0.133,87 1.04,88 15.657,89 5.462,90 22.779,91 7.842,92 0.246,93 1.026,94 19.873,95 6.088,96 34.814,97 9.145,98 0.226,99 0.778,100 18.535,101 6.159,102 26.067,103 9.396,104 11,105 37,106 0.259,107 0.675,108 0.788,109 0.825,110 0.835,111 0.835,112 3.149,113 0.865,114 -4.28,115 -4.22,116 -3.98,118 42.1,119 2,126 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 7,172 1,173 1,175 4,178 7,180 1,181 1,182 5,186 2,188 6,191 2,192 8,194 3,195 3,197 2,199 5,201 1,204 7,208 2,211 3,213 2,215 7,218 1,220 5,223 4,225 4,228 2,231 1,233 1,235 4,237 1,243 2,244 1,246 1,247 2,257 2,264 596,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.687,271 9.487,272 8.559,273 15.255,274 12.338,275 12.338,276 12.338,277 12.338,278 12.338,279 8.888,280 7.5,281 4.022,282 12.855,283 3.777,284 1.419,285 0.777,286 0.566,287 0.513,288 0.513,289 3.844,292 1,293 1,294 1,295 358,296 2.646,299 81.99,300 94.212,303 147.247,307 1.091,308 14.774,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47,320 162,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.222,330 4.414,331 2.939,332 6.253,333 3.91,334 2.93,335 4.353,337 9.393,338 2.869,339 3.852,340 2.666,341 6.073,342 3.514,343 2.557,344 3.301,346 8.572,347 2.445,348 3.746,349 2.404,350 5.713,351 3.331,352 2.37,353 3.179,355 7.457,356 2.274,357 3.056,358 1.822,359 4.82,360 2.685,361 1.743,362 2.328,364 4.819,365 1.638,366 3.034,367 1.55,368 4.518,369 2.526,370 1.55,371 2.3,373 4.378,374 1.518,375 3.009,376 1.533,377 4.333,378 2.486,379 1.533,380 2.133,382 4.044,383 1.45,384 2.636,385 1.155,386 3.864,387 2.095,388 1.153,389 1.7,391 2.795,392 1.083,393 2.47,394 1,395 3.509,396 1.962,397 1,398 1.457,400 2.398,401 0.959,402 2.133,403 0.837,404 3.419,405 1.769,406 0.806,407 1.036,409 2.014,410 0.775,411 1.885,412 0.401,413 3.036,414 1.366,415 0.396,416 0.588,417 0.984,418 0.384,419 1.061,420 -0.155,421 2.652,422 0.628,423 -0.288,424 -0.367,425 -0.673,426 -0.263,427 0.846,428 -0.59,429 2.424,430 0.381,431 -0.59,432 -0.818,433 -1.644,434 -0.571,435 0.628,436 -0.797,437 2.259,438 0.117,439 -0.841,440 -1,441 -2,442 -0.791,443 0.545,444 -0.907,445 2.206,446 0.045,447 -0.922,448 -1.149,449 -2.365,450 -0.905,451 10.4,452 0.473,453 0.61,454 0.028,455 31.5,456 1.432,457 16.5,458 0.75,459 15,460 0.682,461 15.742,462 0.716,463 22.6,464 0.595,465 21,466 0.955,467 6.037,468 0.274,469 4.611,470 0.21,471 0.135,473 0.423,478 0.962,479 1.234,480 0.764,481 0.96,482 1.126,483 0.855,484 0.8,485 1.088,486 0.701,487 0.89,488 0.604,489 0.8,490 1.141,491 1.166,492 0.914,493 0.965,494 0.823,495 0.916,496 0.981,497 0.902,498 0.953,499 0.91,500 0.981,501 0.924,502 1.272,503 1.075,504 1.144,505 1.046,506 1.07,507 1.071,508 1.106,509 1.292,510 1.171,511 1.273,512 1.25,513 1.239,514 1.234,515 0.976,516 1.242,517 1.085,518 1.642,519 1.15,520 0.51,521 0.737,522 0.826,523 0.914,524 0.609,525 0.917,526 4,528 2.889,529 1.986,530 1.682,531 0.747,532 0.484,533 0.336,534 0.173,535 0.056,536 4631,537 11393,538 2.148,539 42.1,541 5,542 1,543 1,544 3,546 6,549 1.652,550 2,551 2.918,552 1.069,553 1,554 1,556 1,558 55.911,559 1.471,560 3.829,561 4.471,562 4.682,563 4.735,564 4.735,565 2.244,566 4.096,567 4.433,568 3.039,569 701.894,570 7.649,571 7411.73,572 1,573 1,574 1,575 1,576 199.421,577 1.437,578 4.388,579 0.16,581 0.078,582 0.054,583 0.048,584 0.026,585 0.017,586 0.017,587 0.012,588 0.009,589 0.421,590 0.5,591 1,592 0.797,593 98.122,594 -0.015,595 -0.053,596 0.053,597 0.019,598 -0.201,599 0.042,600 0.165,601 0.014,602 0.181,603 0.088,604 0.182,605 0.128,606 -0.104,607 -0.106,608 0.009,609 -0.01,610 0.033,611 0.012,612 0.1,613 0.126,614 0.007,615 0.037,616 0.08,617 0.013,618 -0.267,619 -0.056,620 -0.202,621 -0.085,622 -0.142,623 -0.125,624 -0.138,625 -0.247,626 -0.261,627 -0.308,628 -0.111,629 -0.304,630 -0.199,631 -0.038,632 -0.235,633 -0.132,634 -0.381,635 -0.179,636 0.315,637 0.054,638 0.254,639 0.106,640 0.293,641 0.159,642 1.207,643 2.09,644 0.818,645 14.281,646 1.001,647 1.133,648 3.051,649 9.306,650 0.68,651 3.258,652 3.638,653 3.989,654 4.331,655 4.564,656 4.718,657 4.844,658 4.997,659 5.011,660 5.063,661 4.727,662 0.652,663 292.38,664 3.258,665 4.828,666 5.72,667 6.637,668 7.55,669 8.473,670 9.393,671 10.318,672 11.241,673 12.168,674 15.8,678 1,682 2,684 3,689 4,690 6,691 3,692 1,695 3,696 1,697 20,708 1,716 38,718 20,719 1,720 25,722 41,723 16,724 13,725 3,726 3,728 4,729 6,732 2,738 1,740 13,741 3,756 1,757 1,760 16,761 4,762 3,763 6,769 6,775 0.5,785 1,788 1,789 1,793 2,794 2,797 2,819 2,823 2,827 22,828 1,837 1,858 11,859 7.467,860 4.694,861 2.287,863 4.036,864 1.548,865 1.051,866 2.91,867 11.394,868 3.584,869 4.311,870 5.047,871 5.756,872 6.317,873 6.781,874 7.281,875 7.804,876 8.115,877 8.545,878 0.8,879 37,880 8.074,881 3.485,882 7.614,883 15.517,884 13.014,885 2.114,886 46.5,890 153.024,891 90.497,892 101.693,897 90.497,898 153.024,899 101.693,900 17.65,902 79.85,903 63.72,904 38.269,905 16.243,906 129.482,908 153.024,909 192.19,913 82.398,914 70.627,917 49.303,918 92.653,919 50.234,921 153.024,922 101.693,923 90.497,926 153.024,927 17.276,928 74.998,929 16.786,930 83.131,931 153.024,932 101.693,933 90.497,935 0.595,936 0.361,937 0.208,938 0.113,939 21,940 9,941 0.049,942 2,943 2,944 1.222,945 3.351,946 189.252,947 0.222,948 18,949 96.107,954 13.286,955 4.818,956 2.011,957 3.818,958 83.131,959 11.641,960 13.226,961 3.195,964 2.295,965 1.893,966 49.683,967 345.215,968 35,980 38.029,981 43.066,983 0.28,984 0.73,985 0.852,986 0.892,987 0.902,988 0.902,989 4.828,990 1.153,991 5.733,992 4.044,993 4.317,994 4.997,996 6.621,997 4.242,998 6.086,999 1,1000 7.339,1001 2.795,1002 4.007,1003 4.956,1005 7.667,1006 3.908,1007 7.431,1008 0.806,1009 9.047,1010 2.398,1011 5.979,1012 7.379,1014 10.823,1015 5.838,1016 8.82,1017 0.396,1018 10.814,1019 2.014,1020 6.509,1021 8.216,1023 12.718,1024 6.342,1025 10.245,1026 -0.288,1027 12.62,1028 0.984,1029 7.965,1030 10.091,1032 15.4,1033 7.763,1034 11.695,1035 -0.59,1036 14.452,1037 -0.673,1038 8.862,1039 11.321,1041 17.638,1042 8.63,1043 13.165,1044 -0.841,1045 16.304,1046 -1.644,1047 10.131,1048 12.984,1050 20.174,1051 9.866,1052 3.339,1053 -0.922,1054 18.171,1055 -2,1056 11.189,1057 14.388,1059 22.556,1060 10.892,1061 2.93,1062 12.088,1063 20.049,1064 -2.365,1065 12.395,1066 15.97,1068 25.05,1069 12.064,1070 2.557,1071 9.393,1072 21.937,1073 4.737,1074 13.524,1075 17.449,1077 27.492,1078 13.159,1079 2.37,1080 8.572,1081 23.832,1082 4.353,1083 14.711,1084 19.001,1086 29.977,1087 14.312,1088 1.743,1089 7.457,1090 25.735,1091 3.301,1092 15.873,1093 20.513,1095 32.445,1096 15.438,1097 1.55,1098 4.819,1099 27.643,1100 3.179,1101 17.058,1102 22.055,1104 34.93,1105 16.588,1106 1.533,1107 4.378,1108 29.556,1109 2.328,1110 18.236,1111 23.583,1113 37.411,1114 17.73,1115 4398,1116 7022,1117 16.819,1118 25.841,1119 39.193,1120 38.662,1121 40.034,1122 38.774,1123 38.753,1124 54.225,1126 117.881,1127 37.234,1128 5.437,1129 5.376,1130 6.567,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.222,1137 9.728,1138 1.568,1139 1.546,1140 1.601,1141 1.551,1142 1.55,1143 2.169,1145 4.715,1146 1.489,1147 4.174,1148 4.215,1149 4.148,1150 4.071,1151 5.258,1152 4.083,1153 4.023,1154 4.072,1155 3.989,1156 3.87,1157 4.983,1158 3.897,1159 3.578,1160 3.656,1161 3.445,1162 3.413,1163 4.846,1164 3.404,1165 3.418,1166 3.475,1167 3.342,1168 3.277,1169 4.518,1170 3.287,1171 3.128,1172 3.222,1173 3.01,1174 2.916,1175 4.241,1176 2.93,1177 2.992,1178 3.094,1179 2.87,1180 2.749,1181 4.026,1182 2.767,1183 2.905,1184 3.009,1185 2.782,1186 2.666,1187 3.763,1188 2.696,1189 2.874,1190 2.981,1191 2.499,1192 2.618,1193 3.661,1194 2.57,1195 0.19,1196 0.135,1197 0.282,1198 0.172,1199 0.134,1200 4.762,1201 0.189,1202 3.376,1204 7.039,1205 0.484,1206 4.303,1207 0.129,1208 3.339,1209 4.737,1211 12.088,1212 3.222,1213 1.967,1214 1.946,1215 2.035,1216 2.05,1217 1.192,1218 2.043,1219 1.808,1220 1.76,1221 1.947,1222 2.003,1223 1.142,1224 1.983,1225 1.62,1226 1.555,1227 1.78,1228 1.824,1229 0.863,1230 1.821,1231 1.483,1232 1.421,1233 1.659,1234 1.694,1235 0.658,1236 1.69,1237 1.187,1238 1.132,1239 1.417,1240 1.414,1241 0.469,1242 1.39,1243 0.934,1244 0.83,1245 1.293,1246 1.245,1247 0.357,1248 1.308,1249 0.921,1250 0.804,1251 1.181,1252 1.239,1253 0.15,1254 1.237,1255 0.812,1256 0.736,1257 1.096,1258 1.097,1259 0.041,1260 1.093,1261 3.932,1263 5.293,1264 3.045,1265 6.851,1266 5.416,1267 8.502,1268 7.554,1269 10.204,1271 4.147,1275 6.09,1281 0.196,1289 24.762,1290 55.911,1291 145.505,1292 169.911,1293 177.911,1294 179.911,1295 179.911,1296 25.335,1297 7.358,1298 85.41,1299 85.41,1300 22,1301 12.673,1302 4.392,1303 3.459,1304 29.673,1305 61,1306 56,1307 0.243,1308 152.021,1309 237.2,1310 362.691,1311 14040,1313 15.267,1314 0.694,1315 0.564,1316 15.267,1317 12.408,1318 10.648,1319 0.426,1320 0.288,1321 7.114,1322 10.254,1323 6.897,1324 5.761,1325 10.648,1326 7.211,1327 9.981,1328 0.27,1329 0.152,1330 9.981,1331 5.624,1332 8.729,1333 0.165,1334 0.072,1335 8.729,1336 3.834,1337 7.769,1338 0.104,1339 0.037,1340 7.769,1341 2.758,1342 6.227,1343 0.066,1344 0.019,1345 6.227,1346 1.834,1347 0.361,1348 66.484,1349 0.244,1350 21.001,1351 0.729,1352 124,1353 320.226,1354 135.157,1355 320.924,1356 461.49,1357 302,1358 152,1359 369.265,1360 164.462,1361 375.026,1362 554.88,1363 354,1364 6.638}
{0 CHEMBL1242295,1 1.449,2 7.958,3 3.395,4 11.529,5 94.896,6 7.581,7 0.714,8 3.878,9 4.014,10 3.484,11 3.436,12 4.949,13 3.424,14 4.422,15 4.595,16 3.88,17 3.879,18 5.426,19 3.843,20 4.672,21 4.908,22 3.871,23 3.944,24 5.594,25 3.874,26 4.647,27 4.894,28 3.87,29 3.896,30 5.652,31 3.839,32 4.547,33 4.767,34 3.76,35 3.863,36 5.518,37 3.8,38 4.514,39 4.717,40 3.744,41 3.858,42 5.53,43 3.789,44 4.603,45 4.845,46 3.605,47 3.822,48 5.542,49 3.711,50 4.551,51 4.846,52 3.241,53 3.627,54 5.388,55 3.454,56 0.059,57 0.712,58 8.477,59 3.399,60 8.889,61 4.632,62 0.139,63 1.169,64 15.809,65 6.19,66 15.994,67 8.619,68 0.179,69 1.367,70 22.874,71 7.793,72 22.279,73 11.468,74 0.339,75 1.344,76 22.883,77 7.123,78 33.89,79 10.529,80 0.198,81 1.236,82 19.601,83 6.297,84 24.931,85 9.164,86 0.172,87 1.215,88 18.298,89 6.333,90 24.202,91 9.049,92 0.201,93 1.233,94 21.528,95 7.289,96 28.563,97 10.688,98 0.282,99 1.06,100 22.507,101 7.505,102 34.056,103 11.224,104 2,105 41,106 0.249,107 0.646,108 0.765,109 0.83,110 0.838,111 0.838,112 3.231,113 0.897,114 -4.76,115 -4.67,116 -4.39,118 42.9,120 4,126 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,156 1,158 1,159 1,160 1,161 1,167 8,170 2,171 7,172 1,173 1,175 4,178 9,180 1,181 1,182 7,186 2,188 6,191 2,192 10,194 3,195 3,197 2,199 5,201 1,204 9,208 2,211 5,213 2,215 7,218 1,220 5,223 6,225 4,228 4,231 1,233 3,235 8,237 3,243 2,244 1,246 1,247 6,257 2,260 2,264 760,265 16.792,266 16.792,267 16.792,268 16.792,269 16.792,270 14.548,271 9.487,272 9.779,273 17.099,274 13.858,275 13.858,276 13.858,277 13.858,278 13.858,279 10.422,280 7.5,281 4.637,282 14.364,283 3.944,284 1.638,285 0.952,286 0.571,287 0.524,288 0.524,289 3.945,292 1,293 1,294 1,295 437,296 2.121,299 139.283,300 102.98,303 160.199,307 1.135,308 15.855,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51,320 191,321 4.766,322 3.389,323 7.051,324 4.312,325 3.349,326 4.738,328 12.147,329 3.23,330 4.415,331 2.95,332 6.293,333 3.916,334 2.936,335 4.353,337 9.503,338 2.876,339 3.904,340 2.766,341 6.145,342 3.645,343 2.677,344 3.312,346 8.961,347 2.59,348 3.761,349 2.405,350 5.751,351 3.345,352 2.38,353 3.198,355 7.634,356 2.297,357 3.239,358 2.038,359 5.079,360 2.949,361 1.996,362 2.366,364 5.69,365 1.899,366 3.051,367 1.552,368 4.519,369 2.526,370 1.552,371 2.322,373 4.384,374 1.518,375 3.033,376 1.533,377 4.333,378 2.487,379 1.533,380 2.3,382 4.052,383 1.45,384 2.654,385 1.41,386 4.234,387 2.308,388 1.345,389 1.72,391 3.529,392 1.292,393 2.601,394 1.154,395 3.672,396 2.093,397 1.151,398 1.636,400 2.661,401 1.081,402 2.411,403 0.973,404 3.431,405 1.923,406 0.966,407 1.376,409 2.308,410 0.922,411 1.911,412 0.702,413 3.248,414 1.662,415 0.683,416 0.792,417 1.74,418 0.668,419 1.837,420 0.618,421 3.036,422 1.618,423 0.618,424 0.618,425 1.372,426 0.618,427 1.618,428 0.4,429 3,430 1.365,431 0.395,432 0.584,433 0.983,434 0.383,435 1.061,436 -0.153,437 2.652,438 0.63,439 -0.286,440 -0.364,441 -0.672,442 -0.261,443 0.846,444 -0.589,445 2.461,446 0.381,447 -0.59,448 -0.817,449 -1.644,450 -0.571,451 11.4,452 0.475,453 0.534,454 0.022,455 33,456 1.375,457 16.5,458 0.688,459 16.5,460 0.688,461 18.414,462 0.767,463 24.6,464 0.586,465 21.59,466 0.9,467 6.011,468 0.25,469 5.798,470 0.242,471 0.035,473 0.386,478 0.935,479 1.187,480 0.764,481 0.941,482 0.977,483 0.849,484 0.772,485 1.136,486 0.823,487 1.027,488 0.579,489 0.949,490 0.968,491 1.17,492 0.887,493 1.019,494 0.693,495 0.956,496 1.07,497 0.853,498 0.871,499 0.779,500 0.964,501 0.794,502 1.399,503 1.071,504 1.108,505 0.967,506 1.196,507 0.992,508 1.24,509 1.184,510 1.173,511 1.152,512 1.43,513 1.153,514 1.112,515 1.144,516 1.181,517 1.188,518 1.461,519 1.193,520 0.853,521 0.81,522 1.093,523 1.025,524 1.14,525 1.08,526 3.5,528 2.889,529 1.764,530 1.522,531 0.716,532 0.469,533 0.348,534 0.148,535 0.047,536 6351,537 14125,538 2.262,539 42.9,540 4,541 5,542 1,543 1,544 3,546 4,549 1.676,550 2.182,551 3.02,552 0.998,553 1,554 1,556 1,558 60.85,559 1.449,560 3.754,561 4.44,562 4.821,563 4.869,564 4.869,565 2.44,566 4.22,567 4.558,568 3.145,569 868.043,570 7.902,571 9735.16,572 1,573 1,575 1,576 226.477,577 1.175,578 4.543,579 0.125,581 0.07,582 0.045,583 0.039,584 0.02,585 0.014,586 0.012,587 0.008,588 0.005,589 0.339,590 0.33,591 0.88,592 0.382,593 110.695,594 0.003,595 -0.012,596 0.064,597 0.044,598 -0.043,599 0.059,600 0.144,601 -0.036,602 0.052,603 -0.037,604 0.181,605 -0.011,606 0.012,607 -0.177,608 0.077,609 -0.045,610 0.146,611 0.013,612 0.114,613 0.172,614 0.121,615 0.153,616 0.127,617 0.141,618 -0.292,619 -0.012,620 -0.165,621 -0.023,622 -0.183,623 -0.067,624 -0.201,625 -0.112,626 -0.259,627 -0.197,628 -0.24,629 -0.229,630 -0.127,631 -0.162,632 -0.214,633 -0.22,634 -0.25,635 -0.227,636 0.073,637 0.067,638 -0.057,639 -0.038,640 -0.03,641 -0.061,642 1.173,643 2.188,644 0.958,645 17.167,646 0.998,647 1.131,648 3.531,649 12.47,650 0.681,651 3.367,652 3.738,653 4.111,654 4.466,655 4.682,656 4.883,657 5.081,658 5.268,659 5.328,660 5.384,661 5.036,662 0.65,663 318.42,664 3.367,665 4.934,666 5.832,667 6.746,668 7.662,669 8.584,670 9.507,671 10.433,672 11.359,673 12.288,674 14.3,678 1,682 2,684 3,689 4,690 6,691 3,692 1,695 3,696 1,697 20,708 1,716 42,718 20,719 1,720 28,722 46,723 18,724 13,725 3,726 3,728 5,729 7,735 5,738 5,740 13,741 5,756 1,757 1,760 18,761 4,762 3,763 6,769 6,775 0.6,785 1,788 1,789 1,793 3,794 2,797 2,819 3,827 24,828 1,833 4,837 1,858 11,859 7.467,860 5.111,861 2.704,863 3.983,864 1.515,865 1.084,866 3.101,867 11.719,868 3.664,869 4.363,870 5.091,871 5.796,872 6.355,873 6.837,874 7.362,875 7.89,876 8.22,877 8.651,878 1,879 39,880 8.86,881 3.921,882 7.521,883 17.368,884 15.204,885 2.021,886 48.5,889 1,890 176.567,891 82.985,892 101.693,897 82.985,898 176.567,899 101.693,901 10.138,902 79.85,903 63.72,904 38.269,905 16.243,906 153.024,908 176.567,909 184.678,913 129.482,914 47.084,917 41.791,918 92.653,919 50.234,921 176.567,922 101.693,923 82.985,926 176.567,927 27.414,928 57.348,929 16.786,930 83.131,931 176.567,932 101.693,933 82.985,935 0.589,936 0.362,937 0.212,938 0.108,939 24,940 9,941 0.043,942 2,943 2,944 1.174,945 3.633,946 219.375,947 0.174,948 23,949 106.039,954 13.996,955 5.317,956 2.156,957 3.979,958 83.131,959 11.829,960 13.599,961 3.222,964 2.414,965 2.066,966 49.683,967 361.245,968 38,980 41.912,981 47.481,983 0.269,984 0.696,985 0.823,986 0.894,987 0.903,988 0.903,989 4.913,990 1.345,991 5.826,992 4.052,993 4.419,994 5.05,996 6.706,997 4.351,998 6.145,999 1.151,1000 7.419,1001 3.529,1002 4.007,1003 4.956,1005 7.722,1006 3.908,1007 7.481,1008 0.966,1009 9.116,1010 2.661,1011 6.066,1012 7.401,1014 10.895,1015 5.936,1016 8.863,1017 0.683,1018 10.877,1019 2.308,1020 6.553,1021 8.224,1023 12.785,1024 6.39,1025 10.282,1026 0.618,1027 12.678,1028 1.74,1029 8.038,1030 10.1,1032 15.47,1033 7.845,1034 11.728,1035 0.395,1036 14.509,1037 1.372,1038 8.916,1039 11.326,1041 17.706,1042 8.689,1043 13.194,1044 -0.286,1045 16.359,1046 0.983,1047 10.195,1048 12.989,1050 20.243,1051 9.936,1052 3.349,1053 -0.59,1054 18.225,1055 -0.672,1056 11.245,1057 14.392,1059 22.624,1060 10.951,1061 2.936,1062 12.147,1063 20.102,1064 -1.644,1065 12.454,1066 15.973,1068 25.12,1069 12.126,1070 2.677,1071 9.503,1072 21.99,1073 4.738,1074 13.579,1075 17.452,1077 27.562,1078 13.215,1079 2.38,1080 8.961,1081 23.885,1082 4.353,1083 14.768,1084 19.004,1086 30.05,1087 14.368,1088 1.996,1089 7.634,1090 25.787,1091 3.312,1092 15.928,1093 20.516,1095 32.52,1096 15.491,1097 1.552,1098 5.69,1099 27.695,1100 3.198,1101 17.114,1102 22.058,1104 35.008,1105 16.641,1106 1.533,1107 4.384,1108 29.608,1109 2.366,1110 18.292,1111 23.586,1113 37.491,1114 17.781,1115 5770,1116 8750,1117 19.592,1118 28.603,1119 43.113,1120 43.039,1121 43.439,1122 43.23,1123 43.162,1124 58.631,1126 129.925,1127 41.647,1128 5.668,1129 5.389,1130 6.646,1131 5.388,1132 5.349,1133 7.738,1135 19.687,1136 5.23,1137 5.845,1138 1.54,1139 1.537,1140 1.551,1141 1.544,1142 1.541,1143 2.094,1145 4.64,1146 1.487,1147 4.181,1148 4.223,1149 4.154,1150 4.075,1151 5.257,1152 4.087,1153 4.034,1154 4.081,1155 3.995,1156 3.89,1157 4.983,1158 3.912,1159 3.793,1160 3.852,1161 3.667,1162 3.678,1163 4.844,1164 3.669,1165 3.422,1166 3.482,1167 3.354,1168 3.278,1169 4.516,1170 3.287,1171 3.229,1172 3.32,1173 3.143,1174 2.966,1175 4.258,1176 3,1177 3.001,1178 3.094,1179 2.891,1180 2.829,1181 4.117,1182 2.833,1183 2.915,1184 2.997,1185 2.786,1186 2.685,1187 3.769,1188 2.703,1189 2.869,1190 2.979,1191 2.583,1192 2.671,1193 3.663,1194 2.635,1195 0.17,1196 0.121,1197 0.252,1198 0.154,1199 0.12,1200 4.766,1201 0.169,1202 3.389,1204 7.051,1205 0.434,1206 4.312,1207 0.115,1208 3.349,1209 4.738,1211 12.147,1212 3.23,1213 1.966,1214 1.946,1215 2.035,1216 2.049,1217 1.244,1218 2.042,1219 1.802,1220 1.757,1221 1.894,1222 1.992,1223 1.211,1224 1.964,1225 1.596,1226 1.538,1227 1.86,1228 1.794,1229 1.188,1230 1.793,1231 1.577,1232 1.507,1233 1.756,1234 1.751,1235 0.874,1236 1.786,1237 1.483,1238 1.421,1239 1.659,1240 1.691,1241 0.658,1242 1.689,1243 1.182,1244 1.13,1245 1.288,1246 1.393,1247 0.368,1248 1.374,1249 0.92,1250 0.831,1251 1.18,1252 1.245,1253 0.162,1254 1.237,1255 0.812,1256 0.737,1257 1.096,1258 1.092,1259 0.099,1260 1.09,1261 4.043,1263 5.398,1264 3.434,1265 6.948,1266 5.733,1267 8.592,1268 7.803,1269 10.289,1275 6.188,1277 4.794,1281 0.409,1289 27.289,1290 60.85,1291 157.683,1292 186.477,1293 202.477,1294 204.477,1295 204.477,1296 27.612,1297 7.736,1298 85.41,1299 85.41,1300 27,1301 12.792,1302 4.392,1303 3.459,1304 30.081,1305 71,1306 66,1307 0.208,1308 163.812,1309 259.44,1310 391.462,1311 22600,1313 16.096,1314 0.671,1315 0.552,1316 16.096,1317 13.236,1318 11.81,1319 0.422,1320 0.299,1321 8.276,1322 11.425,1323 8.153,1324 6.717,1325 11.81,1326 8.373,1327 10.782,1328 0.263,1329 0.158,1330 10.782,1331 6.469,1332 9.878,1333 0.165,1334 0.084,1335 9.878,1336 5.015,1337 8.93,1338 0.104,1339 0.044,1340 8.93,1341 3.801,1342 6.856,1343 0.064,1344 0.021,1345 6.856,1346 2.225,1347 0.312,1348 73.455,1349 0.226,1350 22.753,1351 0.622,1352 138,1353 334.226,1354 149.157,1355 334.444,1356 483.65,1357 316,1358 170,1359 387.265,1360 182.795,1361 392.298,1362 583.76,1363 372,1364 6.979}
{0 CHEMBL1242376,1 1.706,2 7.87,3 3.583,4 12.837,5 93.126,6 9.597,7 0.615,8 3.802,9 3.923,10 3.586,11 3.373,12 4.931,13 3.355,14 4.33,15 4.492,16 4.034,17 3.81,18 5.398,19 3.764,20 4.605,21 4.82,22 4.196,23 3.899,24 5.648,25 3.827,26 4.574,27 4.807,28 3.972,29 3.827,30 5.655,31 3.767,32 4.467,33 4.667,34 3.867,35 3.796,36 5.551,37 3.745,38 4.471,39 4.661,40 3.968,41 3.811,42 5.564,43 3.737,44 4.543,45 4.775,46 3.953,47 3.766,48 5.642,49 3.631,50 4.457,51 4.741,52 3.835,53 3.517,54 5.394,55 3.316,56 0.09,57 0.627,58 5.389,59 3.272,60 10.794,61 3.979,62 0.165,63 1.025,64 11.815,65 5.979,66 16.679,67 7.578,68 0.312,69 1.223,70 27.553,71 8.183,72 31.663,73 10.315,74 0.422,75 1.209,76 32.208,77 7.541,78 37.613,79 9.534,80 0.312,81 1.128,82 14.056,83 5.725,84 31.23,85 7.447,86 0.271,87 1.108,88 15.068,89 6.226,90 26.194,91 8.089,92 0.389,93 1.074,94 21.623,95 7.619,96 51.122,97 10.107,98 0.396,99 0.844,100 29.786,101 7.652,102 49.027,103 10.169,104 10,105 38,106 0.302,107 0.694,108 0.779,109 0.837,110 0.837,111 0.837,112 3.19,113 0.971,114 -5.26,115 -5.15,116 -4.81,117 1,118 41,120 4,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 7,172 1,173 1,175 2,178 7,180 1,181 1,182 7,186 3,188 5,191 2,192 9,194 3,195 3,197 2,199 4,201 1,204 7,206 1,208 3,211 4,213 2,215 5,218 1,220 3,223 7,225 3,228 3,231 2,232 1,233 2,234 1,235 6,237 2,240 2,245 3,247 2,249 1,257 2,260 2,264 674,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.702,271 12.041,272 9.039,273 16.052,274 12.821,275 12.821,276 12.821,277 12.821,278 12.821,279 9.901,280 8.742,281 4.272,282 13.604,283 3.58,284 1.366,285 0.891,286 0.564,287 0.564,288 0.564,289 3.884,292 1,293 1,294 1,295 398,296 2.121,299 92.649,300 116.507,303 82.153,307 1.115,308 21.863,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 49.25,320 181,321 4.763,322 3.393,323 7.05,324 4.31,325 3.347,326 4.733,328 12.146,329 3.224,330 4.218,331 3.157,332 6.261,333 3.786,334 2.843,335 3.88,337 9.314,338 2.686,339 3.878,340 2.789,341 5.971,342 3.602,343 2.651,344 3.243,346 8.322,347 2.507,348 3.68,349 2.45,350 5.68,351 3.252,352 2.324,353 3.086,355 7.318,356 2.095,357 3.239,358 2.04,359 5.078,360 2.948,361 1.994,362 2.365,364 5.689,365 1.897,366 2.996,367 1.861,368 4.469,369 2.445,370 1.513,371 2.231,373 4.136,374 1.406,375 2.82,376 1.534,377 4.235,378 2.342,379 1.414,380 1.948,382 3.533,383 1.293,384 2.638,385 1.408,386 4.038,387 2.305,388 1.342,389 1.684,391 3.509,392 1.253,393 2.442,394 1.081,395 3.662,396 1.966,397 1.035,398 1.423,400 2.565,401 0.946,402 1.857,403 0.723,404 3.249,405 1.658,406 0.683,407 0.784,409 1.743,410 0.661,411 1.618,412 0.618,413 3,414 1.618,415 0.618,416 0.618,417 1.372,418 0.618,419 1.371,420 0.566,421 2.736,422 0.906,423 0.103,424 0.124,425 0.227,426 0.063,427 1.057,428 -0.148,429 2.462,430 0.619,431 -0.292,432 -0.371,433 -0.683,434 -0.265,435 0.781,436 -0.291,437 2.375,438 0.35,439 -0.595,440 -0.769,441 -1.604,442 -0.525,443 0.626,444 -0.704,445 2.333,446 0.128,447 -0.795,448 -1.041,449 -2.197,450 -0.679,451 11.667,452 0.507,453 0.61,454 0.027,455 30.25,456 1.315,457 15,458 0.652,459 15.25,460 0.663,461 20.063,462 0.872,463 23.733,464 0.609,465 19.028,466 0.827,467 5.249,468 0.228,469 5.898,470 0.256,471 0.177,473 0.377,478 0.903,479 1.153,480 0.484,481 0.757,482 0.985,483 0.788,484 0.651,485 1.129,486 0.535,487 0.847,488 0.51,489 0.885,490 0.873,491 1.207,492 0.772,493 0.961,494 0.698,495 0.92,496 1.003,497 0.873,498 0.911,499 0.829,500 0.819,501 0.802,502 1.156,503 1.078,504 0.4,505 0.744,506 0.93,507 0.935,508 0.963,509 1.215,510 0.561,511 0.994,512 1.038,513 1.135,514 0.751,515 1.078,516 0.678,517 1.02,518 0.921,519 1.168,520 1.004,521 0.785,522 0.842,523 0.964,524 1.29,525 1.028,526 4,527 0.02,528 3.111,529 1.819,530 1.647,531 0.796,532 0.551,533 0.398,534 0.172,535 0.087,536 5148,537 14943,538 2.141,539 41,540 4,541 4,543 1,544 3,546 4,549 1.666,550 2,551 2.981,552 1.075,554 1,558 66.521,559 1.706,560 3.919,561 4.394,562 4.721,563 4.721,564 4.721,565 2.426,566 3.882,567 4.495,568 3.09,569 781.869,570 7.783,571 8530.29,572 1,573 1,574 1,575 1,576 206.131,577 1.422,578 4.454,579 0.154,580 0.01,581 0.082,582 0.048,583 0.045,584 0.023,585 0.017,586 0.016,587 0.012,588 0.012,589 0.419,590 0.33,591 1,592 0.58,593 104.348,594 -0.075,595 0.016,596 -0.003,597 0.058,598 -0.117,599 0.058,600 0.093,601 -0.024,602 0.03,603 0.001,604 0.125,605 0.011,606 0.046,607 -0.208,608 0.048,609 -0.041,610 0.124,611 0.032,612 -0.001,613 0.168,614 -0.062,615 0.067,616 0.036,617 0.121,618 -0.214,619 0.035,620 -0.039,622 -0.1,623 -0.088,624 -0.088,625 -0.135,626 -0.028,627 -0.179,628 -0.141,629 -0.253,630 0.152,631 -0.113,632 0.029,633 -0.125,634 0.088,635 -0.206,636 0.031,637 0.031,638 0.126,639 0.044,640 -0.082,641 0.035,642 1.499,643 3.977,644 0.87,645 16.378,646 1.009,647 1.129,648 4.027,649 16.215,650 0.703,651 3.296,652 3.664,653 4.007,654 4.331,655 4.575,656 4.754,657 4.913,658 5.056,659 5.075,660 5.004,661 4.871,662 0.667,663 374.27,664 3.296,665 4.86,666 5.746,667 6.655,668 7.565,669 8.484,670 9.403,671 10.327,672 11.25,673 12.177,674 12.8,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 39,718 16,719 1,720 26,721 1,722 42,723 16,724 11,725 3,726 3,728 4,729 5,735 5,738 5,740 11,741 5,756 1,757 1,760 16,761 5,762 3,763 7,764 1,769 5,775 0.75,776 1,785 1,788 1,793 2,794 2,797 1,819 3,822 1,827 23,828 1,832 1,833 4,837 1,849 1,850 2.6,852 1,858 11.5,859 6.893,860 4.944,861 2.449,863 3.077,864 1.423,865 1.007,866 3.739,867 10.352,868 3.555,869 4.23,870 4.912,871 5.581,872 6.169,873 6.598,874 7.058,875 7.518,876 7.792,877 8.05,878 1,879 38,880 8.49,881 3.724,882 7.707,883 16.333,884 14.002,885 2.207,886 50.75,890 153.024,891 62.799,892 130.862,894 42.683,897 108.753,898 195.708,899 84.908,901 10.138,902 61.326,903 106.404,904 21.966,905 2.328,906 141.253,907 45.954,908 153.024,909 147.707,910 42.683,912 45.954,913 105.94,914 89.768,917 25.005,918 72.467,919 50.234,920 45.954,921 153.024,922 127.591,923 108.753,926 153.024,927 25.752,928 38.824,929 45.954,930 125.815,931 153.024,932 127.591,933 108.753,935 0.592,936 0.36,937 0.199,938 0.109,939 21,940 9,941 0.048,942 2,943 1,944 1.1,945 3.435,946 200.199,947 0.1,948 20,949 100.042,954 14.912,955 5.767,956 2.501,957 1.517,958 125.815,959 6.854,960 13.306,964 2.741,965 1.981,966 75.581,967 389.369,968 34,980 39.367,981 44.034,983 0.323,984 0.742,985 0.831,986 0.893,987 0.893,988 0.893,989 4.812,990 1.342,991 5.753,992 3.533,993 4.344,994 4.916,996 6.629,997 4.233,998 6.045,999 1.035,1000 7.352,1001 3.509,1002 4.007,1003 4.856,1005 7.656,1006 3.806,1007 7.381,1008 0.683,1009 9.054,1010 2.565,1011 5.994,1012 7.227,1014 10.82,1015 5.796,1016 8.759,1017 0.618,1018 10.818,1019 1.743,1020 6.509,1021 8.038,1023 12.708,1024 6.238,1025 10.173,1026 0.103,1027 12.62,1028 1.372,1029 7.965,1030 9.89,1032 15.401,1033 7.686,1034 11.613,1035 -0.292,1036 14.45,1037 0.227,1038 8.854,1039 11.1,1041 17.641,1042 8.521,1043 13.074,1044 -0.595,1045 16.3,1046 -0.683,1047 10.123,1048 12.756,1050 20.188,1051 9.769,1052 3.347,1053 -0.795,1054 18.166,1055 -1.604,1056 11.177,1057 14.151,1059 22.576,1060 10.781,1061 2.843,1062 12.146,1063 20.044,1064 -2.197,1065 12.383,1066 15.733,1068 25.08,1069 11.96,1070 2.651,1071 9.314,1072 21.932,1073 4.733,1074 13.512,1075 17.212,1077 27.529,1078 13.052,1079 2.324,1080 8.322,1081 23.828,1082 3.88,1083 14.702,1084 18.768,1086 30.022,1087 14.211,1088 1.994,1089 7.318,1090 25.732,1091 3.243,1092 15.865,1093 20.285,1095 32.497,1096 15.339,1097 1.513,1098 5.689,1099 27.642,1100 3.086,1101 17.054,1102 21.834,1104 34.989,1105 16.495,1106 1.414,1107 4.136,1108 29.558,1109 2.365,1110 18.235,1111 23.369,1113 37.476,1114 17.642,1115 4917,1116 8525,1117 17.512,1118 27.404,1119 39.656,1120 40.345,1121 41.079,1122 39.9,1123 39.736,1124 52.237,1126 119.749,1127 37.297,1128 5.665,1129 5.393,1130 6.646,1131 5.385,1132 5.347,1133 7.733,1135 19.683,1136 5.224,1137 10.157,1138 1.525,1139 1.552,1140 1.58,1141 1.535,1142 1.528,1143 2.009,1145 4.606,1146 1.435,1147 4.144,1148 4.191,1149 6.88,1150 4.01,1151 6.469,1152 4.028,1153 3.86,1154 3.891,1155 4.117,1156 3.789,1157 5.254,1158 3.779,1159 3.774,1160 3.821,1161 3.717,1162 3.659,1163 4.871,1164 3.653,1165 3.285,1166 3.374,1167 3.648,1168 3.052,1169 4.618,1170 3.069,1171 3.038,1172 3.12,1173 3.204,1174 2.865,1175 4.45,1176 2.862,1177 2.932,1178 2.979,1179 2.918,1180 2.746,1181 4.171,1182 2.748,1183 2.869,1184 2.975,1185 2.804,1186 2.671,1187 3.761,1188 2.645,1189 2.853,1190 2.938,1191 2.614,1192 2.652,1193 3.591,1194 2.635,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.763,1201 0.182,1202 3.393,1204 7.05,1205 0.467,1206 4.31,1207 0.124,1208 3.347,1209 4.733,1211 12.146,1212 3.224,1213 1.925,1214 1.908,1215 1.971,1216 2.029,1217 1.243,1218 2.01,1219 1.787,1220 1.744,1221 1.886,1222 1.958,1223 1.211,1224 1.945,1225 1.586,1226 1.53,1227 1.86,1228 1.772,1229 1.12,1230 1.793,1231 1.577,1232 1.507,1233 1.739,1234 1.751,1235 0.842,1236 1.77,1237 1.137,1238 1.089,1239 1.239,1240 1.377,1241 0.293,1242 1.353,1243 0.883,1244 0.839,1245 1.148,1246 1.218,1247 0.148,1248 1.201,1249 0.876,1250 0.786,1251 1.102,1252 1.133,1253 0.094,1254 1.13,1255 0.761,1256 0.673,1257 0.995,1258 1.05,1259 0.086,1260 1.045,1261 3.97,1263 5.323,1264 3.045,1265 6.872,1266 5.352,1267 8.515,1268 7.455,1269 10.209,1270 3.3,1275 6.098,1276 9.977,1277 4.624,1281 0.351,1289 26.008,1290 66.521,1291 152.846,1292 171.376,1293 184.131,1294 184.131,1295 184.131,1296 33.969,1297 7.274,1298 89.85,1299 89.85,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.543,1305 66,1306 69,1307 0.24,1308 164.064,1309 267.81,1310 392.076,1311 12138,1312 2.6,1313 15.974,1314 0.695,1315 0.608,1316 16.974,1317 13.993,1318 11.148,1319 0.429,1320 0.324,1321 7.579,1322 10.23,1323 7.418,1324 6.097,1325 11.725,1326 8.418,1327 10.285,1328 0.271,1329 0.177,1330 11.027,1331 6.71,1332 9.187,1333 0.17,1334 0.094,1335 10.044,1336 5.079,1337 7.78,1338 0.104,1339 0.047,1340 8.083,1341 3.507,1342 6.179,1343 0.064,1344 0.023,1345 6.568,1346 2.177,1347 0.357,1348 77.979,1349 0.239,1350 21.849,1351 0.724,1352 128,1353 350.697,1354 205.411,1355 382.408,1356 523.29,1357 356,1358 156,1359 377.057,1360 204.751,1361 393.016,1362 582.7,1363 371,1364 6.46}
{0 CHEMBL1242377,1 1.752,2 7.286,3 2.364,4 5.589,5 78.474,6 8.209,7 0.696,8 3.694,9 3.82,10 3.326,11 3.178,12 4.955,13 3.198,14 4.172,15 4.345,16 3.726,17 3.549,18 5.408,19 3.565,20 4.392,21 4.581,22 3.827,23 3.651,24 5.768,25 3.665,26 4.469,27 4.693,28 3.745,29 3.662,30 5.694,31 3.644,32 4.367,33 4.576,34 3.589,35 3.621,36 5.508,37 3.577,38 4.328,39 4.525,40 3.565,41 3.561,42 5.586,43 3.513,44 4.419,45 4.683,46 3.294,47 3.415,48 5.65,49 3.305,50 4.205,51 4.52,52 2.874,53 2.981,54 5.45,55 2.831,56 0.131,57 0.635,58 6.202,59 2.778,60 13.804,61 3.37,62 0.238,63 0.978,64 11.571,65 4.542,66 23.873,67 5.897,68 0.479,69 1.143,70 15.674,71 5.053,72 54.809,73 6.63,74 0.517,75 1.137,76 18.396,77 5.634,78 57.701,79 7.536,80 0.371,81 1.003,82 15.276,83 4.95,84 36.412,85 6.925,86 0.346,87 0.992,88 14.188,89 5.058,90 33.536,91 6.973,92 0.549,93 0.916,94 19.23,95 5.608,96 61.848,97 8.24,98 0.54,99 0.661,100 18.942,101 5.237,102 74.609,103 7.858,104 27,105 34,106 0.319,107 0.734,108 0.808,109 0.832,110 0.832,111 0.832,112 3.105,113 0.843,114 -4.52,115 -4.44,116 -4.18,118 40,119 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 1,175 2,178 4,180 1,181 1,182 5,186 2,188 3,191 2,192 7,194 3,195 3,197 2,199 3,201 1,204 5,206 1,208 3,211 2,213 2,215 4,218 1,220 3,223 4,225 3,231 2,232 1,234 1,235 2,245 2,264 530,265 13.776,266 13.776,267 13.776,268 13.776,269 13.776,270 11.84,271 12.029,272 7.818,273 14.123,274 11.301,275 11.301,276 11.301,277 11.301,278 11.301,279 8.368,280 8.729,281 3.657,282 11.907,283 3.378,284 1.097,285 0.693,286 0.557,287 0.557,288 0.557,289 3.777,292 1,293 1,294 1,295 323,296 2.646,299 39.793,300 107.231,303 76.128,307 1.061,308 28.788,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47,320 153,321 4.76,322 3.381,323 7.039,324 4.301,325 3.338,326 4.732,328 12.086,329 3.217,330 4.216,331 3.162,332 6.179,333 3.782,334 2.827,335 3.879,337 8.977,338 2.694,339 3.814,340 2.685,341 5.927,342 3.482,343 2.533,344 3.214,346 8.067,347 2.398,348 3.679,349 2.448,350 5.657,351 3.268,352 2.321,353 3.085,355 7.235,356 2.186,357 3.03,358 1.877,359 4.819,360 2.683,361 1.743,362 2.244,364 4.818,365 1.636,366 2.98,367 1.816,368 4.469,369 2.446,370 1.508,371 2.126,373 4.123,374 1.41,375 2.82,376 1.53,377 4.039,378 2.365,379 1.414,380 1.948,382 3.512,383 1.333,384 2.521,385 1.091,386 3.86,387 2.006,388 1.062,389 1.531,391 2.758,392 0.999,393 2.127,394 0.871,395 3.49,396 1.775,397 0.815,398 1.033,400 2.05,401 0.78,402 1.371,403 0.577,404 2.736,405 0.989,406 0.103,407 0.124,409 0.227,410 0.089,411 1.058,412 -0.149,413 2.427,414 0.617,415 -0.294,416 -0.374,417 -0.685,418 -0.267,419 0.781,420 -0.289,421 2.375,422 0.353,423 -0.595,424 -0.77,425 -1.604,426 -0.555,427 0.621,428 -0.711,429 2.256,430 0.116,431 -0.815,432 -1,433 -2,434 -0.751,435 0.227,436 -0.858,437 2.131,439 -1,440 -1.114,441 -2.268,442 -0.973,444 -1,445 1.805,446 -0.129,447 -1.062,448 -1.285,449 -3.043,450 -1,451 9.619,452 0.458,453 0.686,454 0.033,455 29,456 1.381,457 15,458 0.714,459 14,460 0.667,461 15.103,462 0.719,463 22.781,464 0.651,465 20.733,466 0.987,467 5.676,468 0.27,469 4.31,470 0.205,471 0.21,473 0.457,477 1,478 0.778,479 1.115,480 0.718,481 0.996,482 0.792,483 0.871,484 0.655,485 1.063,486 0.599,487 0.947,488 0.557,489 0.793,490 0.943,491 1.18,492 0.857,493 0.977,494 0.761,495 0.896,496 0.973,497 0.883,498 0.97,499 0.862,500 0.922,501 0.894,502 0.778,503 0.916,504 1.102,505 1.046,506 0.559,507 1.117,508 0.704,509 1.111,510 1.105,511 1.344,512 0.694,513 1.333,514 0.738,515 0.86,516 1.145,517 1.141,518 0.845,519 1.227,520 0.79,521 0.644,522 0.788,523 0.886,524 0.922,525 0.875,526 4.5,528 3.111,529 2.042,530 1.807,531 0.827,532 0.566,533 0.386,534 0.148,535 0.016,536 3654,537 12107,538 2.018,539 40,541 4,543 1,544 3,546 6,549 1.64,550 1.826,551 2.878,552 1.156,554 1,556 1,558 61.309,559 1.752,560 4.032,561 4.436,562 4.572,563 4.572,564 4.572,565 2.244,566 4.202,567 4.364,568 2.982,569 626.115,570 7.519,571 6413.99,572 1,573 1,575 1,576 179.525,577 1.545,578 4.289,579 0.196,581 0.092,582 0.057,583 0.055,584 0.03,585 0.022,586 0.023,587 0.015,588 0.005,589 0.493,590 0.5,591 1,592 0.911,593 91.933,594 -0.086,595 -0.056,596 0.01,597 0.034,598 -0.147,599 0.044,600 0.05,601 -0.058,602 0.22,603 0.055,604 0.063,605 0.155,607 -0.137,608 0.034,609 -0.017,610 0.12,611 0.019,612 -0.081,613 0.101,614 -0.034,615 0.072,616 -0.09,617 0.04,618 -0.129,619 -0.048,620 -0.245,621 -0.107,622 -0.039,623 -0.177,624 0.013,625 -0.186,626 -0.248,627 -0.374,628 -0.013,629 -0.383,630 0.116,631 -0.04,632 -0.127,633 -0.206,634 0.01,635 -0.227,636 0.3,637 0.095,638 0.415,639 0.108,640 0.252,641 0.244,642 2.351,643 5.216,644 0.714,645 13.56,646 1.022,647 1.146,648 3.287,649 10.808,650 0.664,651 3.178,652 3.555,653 3.871,654 4.174,655 4.443,656 4.564,657 4.625,658 4.71,659 4.644,660 4.511,661 4.558,662 0.653,663 287.33,664 3.178,665 4.745,666 5.624,667 6.535,668 7.441,669 8.36,670 9.275,671 10.198,672 11.117,673 12.041,674 14.3,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 35,718 16,719 1,720 23,722 37,723 14,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,758 1,760 14,761 6,762 3,763 7,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,825 1,827 21,828 1,832 1,837 1,849 1,850 2.9,852 1,858 11.5,859 6.893,860 4.528,861 2.033,863 3.139,864 1.457,865 0.968,866 3.26,867 10.002,868 3.466,869 4.171,870 4.859,871 5.531,872 6.123,873 6.526,874 6.946,875 7.39,876 7.628,877 7.866,878 0.8,879 36,880 7.741,881 3.385,882 8.071,883 14.232,884 11.62,885 2.571,886 54,890 129.482,891 76.377,892 84.908,894 42.683,895 14.96,897 76.377,898 172.165,899 99.868,900 17.65,902 61.326,903 106.404,904 28.031,905 17.288,906 117.711,908 129.482,909 161.285,910 57.643,913 73.816,914 113.31,917 32.518,918 78.533,919 50.234,921 144.442,922 127.591,923 76.377,926 129.482,927 21.68,928 56.474,930 140.775,931 129.482,932 142.551,933 76.377,935 0.599,936 0.36,937 0.193,938 0.114,939 18,940 9,941 0.054,942 2,943 1,944 1.133,945 3.144,946 170.795,947 0.133,948 15,949 90.239,954 13.773,955 4.971,956 2.216,957 1.202,958 140.775,959 5.414,960 12.696,964 0.253,965 1.725,966 75.581,967 348.411,968 31,980 35.767,981 40.117,983 0.342,984 0.786,985 0.865,986 0.891,987 0.891,988 0.891,989 4.718,990 1.062,991 5.652,992 3.512,993 4.234,994 4.856,996 6.538,997 4.135,998 5.979,999 0.815,1000 7.266,1001 2.758,1002 4.007,1003 4.856,1005 7.597,1006 3.858,1007 7.325,1008 0.103,1009 8.98,1010 2.05,1011 5.9,1012 7.201,1014 10.742,1015 5.719,1016 8.712,1017 -0.294,1018 10.751,1019 0.227,1020 6.463,1021 8.029,1023 12.635,1024 6.235,1025 10.132,1026 -0.595,1027 12.558,1028 -0.685,1029 7.886,1030 9.879,1032 15.326,1033 7.631,1034 11.577,1035 -0.815,1036 14.391,1037 -1.604,1038 8.796,1039 11.093,1041 17.569,1042 8.498,1043 13.041,1044 -1,1045 16.242,1046 -2,1047 10.054,1048 12.75,1050 20.115,1051 9.727,1052 3.338,1053 -1.062,1054 18.109,1055 -2.268,1056 11.117,1057 14.146,1059 22.504,1060 10.752,1061 2.827,1062 12.086,1063 19.987,1064 -3.043,1065 12.32,1066 15.729,1068 25.007,1069 11.924,1070 2.533,1071 8.977,1072 21.876,1073 4.732,1074 13.453,1075 17.208,1077 27.456,1078 13.02,1079 2.321,1080 8.067,1081 23.773,1082 3.879,1083 14.641,1084 18.765,1086 29.947,1087 14.176,1088 1.743,1089 7.235,1090 25.677,1091 3.214,1092 15.807,1093 20.281,1095 32.421,1096 15.306,1097 1.508,1098 4.818,1099 27.587,1100 3.085,1101 16.995,1102 21.831,1104 34.91,1105 16.461,1106 1.414,1107 4.123,1108 29.503,1109 2.244,1110 18.176,1111 23.366,1113 37.394,1114 17.607,1115 3681,1116 6819,1117 14.74,1118 23.228,1119 35.678,1120 36.118,1121 37.742,1122 35.326,1123 35.327,1124 47.83,1126 107.705,1127 33.482,1128 5.427,1129 5.381,1130 6.567,1131 5.374,1132 5.338,1133 7.732,1135 19.551,1136 5.217,1137 12.257,1138 1.551,1139 1.57,1140 1.641,1141 1.536,1142 1.536,1143 2.08,1145 4.683,1146 1.456,1147 4.132,1148 4.179,1149 4.116,1150 3.992,1151 8.201,1152 4.015,1153 3.845,1154 3.872,1155 3.808,1156 3.729,1157 6.465,1158 3.745,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 5.254,1164 3.399,1165 3.213,1166 3.292,1167 3.142,1168 2.984,1169 4.87,1170 3.019,1171 3.007,1172 3.115,1173 2.892,1174 2.746,1175 4.573,1176 2.75,1177 2.931,1178 3.009,1179 2.804,1180 2.692,1181 4.396,1182 2.732,1183 2.874,1184 2.971,1185 2.717,1186 2.618,1187 4.051,1188 2.604,1189 2.797,1190 2.863,1191 2.499,1192 2.585,1193 3.687,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.76,1201 0.206,1202 3.381,1204 7.039,1205 0.525,1206 4.301,1207 0.14,1208 3.338,1209 4.732,1211 12.086,1212 3.217,1213 1.922,1214 1.903,1215 1.986,1216 2.038,1217 1.152,1218 2.017,1219 1.793,1220 1.745,1221 1.943,1222 1.982,1223 1.098,1224 1.968,1225 1.608,1226 1.545,1227 1.766,1228 1.81,1229 0.821,1230 1.808,1231 1.137,1232 1.081,1233 1.417,1234 1.408,1235 0.469,1236 1.374,1237 0.934,1238 0.839,1239 1.251,1240 1.239,1241 0.251,1242 1.308,1243 0.883,1244 0.804,1245 1.152,1246 1.231,1247 0.138,1248 1.209,1249 0.873,1250 0.779,1251 1.114,1252 1.135,1253 0.033,1254 1.13,1255 0.76,1256 0.667,1257 0.989,1258 1.064,1260 1.052,1261 3.85,1263 5.209,1264 2.398,1265 6.767,1266 4.844,1267 8.418,1268 7.081,1269 10.117,1271 3.938,1273 13.216,1275 5.935,1276 9.547,1281 0.074,1289 22.839,1290 61.309,1291 141.119,1292 155.26,1293 160.015,1294 160.015,1295 160.015,1296 39.448,1297 6.863,1298 89.85,1299 89.85,1300 17,1301 12.548,1302 4.087,1303 3.17,1304 31.867,1305 56,1306 59,1307 0.289,1308 141.557,1309 232.36,1310 337.159,1311 7124,1312 2.9,1313 15.146,1314 0.721,1315 0.551,1316 14.276,1317 11.578,1318 9.986,1319 0.434,1320 0.281,1321 6.344,1322 9.484,1323 6.163,1324 5.141,1325 9.575,1326 6.463,1327 9.485,1328 0.279,1329 0.147,1330 8.989,1331 5.011,1332 8.038,1333 0.171,1334 0.069,1335 7.376,1336 3.227,1337 6.619,1338 0.103,1339 0.035,1340 6.511,1341 2.217,1342 5.55,1343 0.066,1344 0.018,1345 5.35,1346 1.52,1347 0.427,1348 63.502,1349 0.26,1350 20.069,1351 0.881,1352 114,1353 404.153,1354 129.371,1355 368.887,1356 501.13,1357 342,1358 138,1359 378.657,1360 154.309,1361 375.745,1362 553.82,1363 353,1364 6.78}
{0 CHEMBL1242378,1 1.766,2 7.773,3 1.186,4 1.408,5 81.675,6 8.172,7 0.667,8 3.752,9 3.888,10 3.371,11 3.208,12 5.025,13 3.234,14 4.223,15 4.398,16 3.76,17 3.587,18 5.458,19 3.603,20 4.465,21 4.665,22 3.882,23 3.698,24 5.822,25 3.71,26 4.545,27 4.772,28 3.814,29 3.717,30 5.789,31 3.703,32 4.488,33 4.716,34 3.69,35 3.692,36 5.629,37 3.65,38 4.412,39 4.61,40 3.666,41 3.636,42 5.668,43 3.597,44 4.498,45 4.752,46 3.473,47 3.514,48 5.79,49 3.424,50 4.359,51 4.667,52 3.044,53 3.15,54 5.618,55 3.019,56 0.16,57 0.673,58 6.811,59 2.742,60 19.818,61 3.467,62 0.268,63 1.027,64 12.214,65 4.598,66 29.313,67 6.117,68 0.534,69 1.193,70 17.408,71 5.338,72 62.605,73 7.377,74 0.59,75 1.191,76 19.843,77 5.638,78 65.788,79 7.843,80 0.458,81 1.079,82 18.326,83 5.401,84 47.068,85 8.072,86 0.389,87 1.062,88 15.516,89 5.167,90 39.318,91 7.432,92 0.593,93 0.984,94 20.16,95 5.819,96 69.474,97 8.711,98 0.637,99 0.737,100 21.183,101 5.194,102 89.922,103 8.134,104 28,105 35,106 0.318,107 0.752,108 0.862,109 0.886,110 0.886,111 0.886,112 3.149,113 0.838,114 -3.76,115 -3.72,116 -3.54,118 37.8,119 1,124 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 2,159 2,160 2,161 1,167 3,170 2,171 6,172 1,173 1,175 2,178 3,180 1,181 1,182 4,183 1,184 1,186 3,188 3,190 1,191 2,192 6,194 4,195 4,197 2,199 2,201 1,204 5,205 1,206 2,208 4,211 1,213 3,215 3,218 1,220 3,223 2,225 3,230 1,231 3,232 2,233 2,234 3,235 1,237 2,238 1,245 2,249 1,256 1,259 1,264 608,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.71,271 11.565,272 8.322,273 14.995,274 11.722,275 11.722,276 11.722,277 11.722,278 11.722,279 8.795,280 7.997,281 3.816,282 12.347,283 3.444,284 1.034,285 0.419,286 0.291,287 0.291,288 0.291,289 3.821,293 1,294 1,295 359,296 2.828,299 42.576,300 113.692,303 81.322,307 1.087,308 32.293,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 49.5,320 171,321 4.761,322 3.387,323 7.044,324 4.304,325 3.341,326 4.732,328 12.109,329 3.22,330 4.217,331 3.163,332 6.209,333 3.787,334 2.832,335 3.88,337 9.083,338 2.7,339 3.836,340 2.729,341 5.947,342 3.524,343 2.573,344 3.225,346 8.175,347 2.441,348 3.679,349 2.45,350 5.667,351 3.27,352 2.322,353 3.085,355 7.27,356 2.187,357 3.089,358 1.917,359 4.927,360 2.765,361 1.824,362 2.253,364 5.132,365 1.712,366 2.992,367 1.861,368 4.469,369 2.447,370 1.509,371 2.188,373 4.128,374 1.41,375 2.82,376 1.531,377 4.047,378 2.365,379 1.414,380 1.948,382 3.513,383 1.333,384 2.542,385 1.144,386 4.023,387 2.046,388 1.095,389 1.559,391 2.94,392 1.039,393 2.26,394 1.054,395 3.595,396 1.873,397 0.936,398 1.196,400 2.287,401 0.873,402 1.372,403 0.591,404 2.736,405 1.105,406 0.172,407 0.181,409 0.257,410 0.16,411 1.228,412 0.392,413 2.576,414 0.987,415 0.098,416 0.118,417 0.198,418 0.085,419 1.039,420 -0.158,421 2.387,422 0.61,423 -0.302,424 -0.383,425 -0.695,426 -0.275,427 0.78,428 -0.29,429 2.373,430 0.353,431 -0.595,432 -0.77,433 -1.604,434 -0.555,435 0.609,436 -0.714,437 2.205,438 0.113,439 -0.82,440 -1.105,441 -2.254,442 -0.757,443 0.22,444 -0.868,445 2,446 -0.12,447 -1.059,448 -1.255,449 -2.822,450 -0.974,451 10.019,452 0.455,453 0.648,454 0.029,455 29.75,456 1.352,457 15,458 0.682,459 14.75,460 0.67,461 15.96,462 0.725,463 24.181,464 0.654,465 22.216,466 1.01,467 5.949,468 0.27,469 4.575,470 0.208,471 0.192,473 0.439,477 1,478 0.85,479 1.118,480 0.751,481 0.954,482 0.866,483 0.841,484 0.697,485 1.095,486 0.663,487 0.992,488 0.614,489 0.845,490 0.89,491 1.159,492 0.808,493 0.972,494 0.736,495 0.877,496 1.001,497 0.889,498 1.018,499 0.881,500 0.936,501 0.927,502 0.732,503 0.882,504 0.992,505 0.976,506 0.53,507 1.021,508 0.734,509 1.157,510 1.092,511 1.351,512 0.709,513 1.32,514 0.697,515 0.925,516 1.106,517 1.219,518 0.787,519 1.267,520 0.898,521 0.685,522 0.958,523 0.915,524 1.022,525 0.958,526 4.5,528 3.333,529 2.042,530 1.807,531 0.907,532 0.627,533 0.414,534 0.185,535 0.051,536 4133,537 14018,538 2.017,539 40.5,541 6,543 1,544 5,546 3,549 1.654,550 1.833,551 2.953,552 2.824,553 1,554 1,556 1,558 65.334,559 1.766,560 4.175,561 4.79,562 4.919,563 4.919,564 4.919,565 2.392,566 4.459,567 4.43,568 3.047,569 703.914,570 7.655,571 7464.11,572 1,573 1,576 192.75,577 1.544,578 4.36,579 0.188,581 0.095,582 0.054,583 0.052,584 0.029,585 0.022,586 0.02,587 0.015,588 0.01,589 0.484,590 0.33,591 1,592 1.094,593 98.203,594 -0.136,595 -0.02,596 -0.01,597 0.094,598 -0.181,599 0.085,600 0.012,601 -0.053,602 0.151,603 0.04,604 0.021,605 0.116,606 0.033,607 -0.122,608 0.095,609 0.013,610 0.128,611 0.066,612 -0.105,613 0.108,614 -0.089,615 0.051,616 -0.108,617 -0.001,618 -0.078,619 -0.032,620 -0.102,621 -0.024,622 -0.001,623 -0.053,624 -0.016,625 -0.204,626 -0.241,627 -0.362,628 -0.033,629 -0.363,630 0.148,631 -0.075,632 -0.121,633 -0.275,634 0.063,635 -0.278,636 0.164,637 0.068,638 0.192,639 0.025,640 0.109,641 0.096,642 2.368,643 5.254,644 0.682,645 15.364,646 1.023,647 1.152,648 2.528,649 6.393,650 0.655,651 3.219,652 3.584,653 3.912,654 4.205,655 4.477,656 4.615,657 4.71,658 4.787,659 4.736,660 4.615,661 4.739,662 0.645,663 302.35,664 3.219,665 4.779,666 5.659,667 6.567,668 7.474,669 8.391,670 9.308,671 10.23,672 11.151,673 12.075,674 16.2,675 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 37,718 16,719 1,720 24,722 39,723 14,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,758 1,760 15,761 7,762 5,763 8,769 6,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,813 1,819 2,823 1,825 1,827 22,828 2,832 1,833 1,837 1,849 1,850 2.7,852 1,858 12,859 6.726,860 4.861,861 2.033,863 3.124,864 1.45,865 0.975,866 3.685,867 10.069,868 3.497,869 4.186,870 4.874,871 5.543,872 6.137,873 6.548,874 6.983,875 7.424,876 7.67,877 7.911,878 1,879 38,880 8.108,881 3.55,882 8.114,883 14.841,884 12.122,885 2.614,886 57.5,890 117.711,891 69.658,892 117.805,894 42.683,895 14.96,897 69.658,898 160.394,899 132.765,900 8.825,901 35.003,902 61.326,903 106.404,904 28.031,905 17.288,906 105.94,908 117.711,909 187.463,910 57.643,913 97.358,914 77.997,917 58.695,918 78.533,919 50.234,921 132.671,922 160.488,923 69.658,926 117.711,927 23.785,928 47.649,930 173.672,931 117.711,932 175.448,933 69.658,935 0.592,936 0.365,937 0.193,938 0.113,939 18,940 9,941 0.077,942 3,943 1,944 1.133,945 3.229,946 181.498,947 0.133,948 15,949 98.107,954 14.693,955 5.517,956 2.42,957 1.095,958 173.672,959 5.328,960 12.674,964 0.103,965 1.656,966 108.478,967 362.817,968 32,980 37.869,981 42.615,983 0.339,984 0.801,985 0.92,986 0.944,987 0.944,988 0.944,989 4.745,990 1.095,991 5.68,992 3.513,993 4.263,994 4.871,996 6.564,997 4.164,998 5.996,999 0.936,1000 7.292,1001 2.94,1002 4.007,1003 4.856,1005 7.621,1006 3.858,1007 7.34,1008 0.172,1009 9.005,1010 2.287,1011 5.927,1012 7.208,1014 10.768,1015 5.746,1016 8.726,1017 0.098,1018 10.775,1019 0.257,1020 6.479,1021 8.032,1023 12.66,1024 6.251,1025 10.144,1026 -0.302,1027 12.582,1028 0.198,1029 7.909,1030 9.882,1032 15.353,1033 7.654,1034 11.588,1035 -0.595,1036 14.414,1037 -0.695,1038 8.815,1039 11.096,1041 17.594,1042 8.517,1043 13.051,1044 -0.82,1045 16.265,1046 -1.604,1047 10.074,1048 12.752,1050 20.141,1051 9.747,1052 3.341,1053 -1.059,1054 18.131,1055 -2.254,1056 11.137,1057 14.148,1059 22.53,1060 10.77,1061 2.832,1062 12.109,1063 20.009,1064 -2.822,1065 12.34,1066 15.73,1068 25.033,1069 11.942,1070 2.573,1071 9.083,1072 21.898,1073 4.732,1074 13.472,1075 17.209,1077 27.483,1078 13.037,1079 2.322,1080 8.175,1081 23.794,1082 3.88,1083 14.661,1084 18.766,1086 29.975,1087 14.193,1088 1.824,1089 7.27,1090 25.698,1091 3.225,1092 15.826,1093 20.283,1095 32.449,1096 15.323,1097 1.509,1098 5.132,1099 27.609,1100 3.085,1101 17.014,1102 21.832,1104 34.94,1105 16.477,1106 1.414,1107 4.128,1108 29.525,1109 2.253,1110 18.196,1111 23.367,1113 37.425,1114 17.623,1115 4172,1116 7793,1117 15.433,1118 24.233,1119 36.468,1120 37.168,1121 39.356,1122 36.229,1123 36.236,1124 48.731,1126 110.184,1127 34.32,1128 5.486,1129 5.387,1130 6.587,1131 5.377,1132 5.341,1133 7.732,1135 19.605,1136 5.22,1137 12.74,1138 1.519,1139 1.549,1140 1.64,1141 1.51,1142 1.51,1143 2.03,1145 4.591,1146 1.43,1147 4.133,1148 4.181,1149 4.117,1150 3.992,1151 8.201,1152 4.016,1153 3.846,1154 3.873,1155 3.809,1156 3.729,1157 6.465,1158 3.745,1159 3.608,1160 3.687,1161 3.483,1162 3.425,1163 5.256,1164 3.425,1165 3.236,1166 3.327,1167 3.169,1168 2.987,1169 5.012,1170 3.024,1171 3.054,1172 3.168,1173 2.929,1174 2.748,1175 4.853,1176 2.771,1177 2.993,1178 3.111,1179 2.804,1180 2.745,1181 4.571,1182 2.747,1183 2.93,1184 2.971,1185 2.755,1186 2.682,1187 4.374,1188 2.689,1189 2.799,1190 2.868,1191 2.695,1192 2.585,1193 3.892,1194 2.604,1195 0.198,1196 0.141,1197 0.293,1198 0.179,1199 0.139,1200 4.761,1201 0.197,1202 3.387,1204 7.044,1205 0.505,1206 4.304,1207 0.134,1208 3.341,1209 4.732,1211 12.109,1212 3.22,1213 1.922,1214 1.903,1215 1.986,1216 2.04,1217 1.176,1218 2.018,1219 1.795,1220 1.746,1221 1.934,1222 1.987,1223 1.102,1224 1.972,1225 1.617,1226 1.554,1227 1.765,1228 1.826,1229 0.823,1230 1.818,1231 1.151,1232 1.09,1233 1.449,1234 1.472,1235 0.475,1236 1.448,1237 1.027,1238 0.902,1239 1.256,1240 1.348,1241 0.251,1242 1.36,1243 0.883,1244 0.839,1245 1.152,1246 1.231,1247 0.138,1248 1.209,1249 0.875,1250 0.781,1251 1.115,1252 1.135,1253 0.032,1254 1.13,1255 0.766,1256 0.67,1257 1.017,1258 1.076,1260 1.068,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.445,1268 7.081,1269 10.143,1271 1.899,1273 13.254,1275 11.645,1276 9.573,1277 0.37,1281 -0.098,1289 23.861,1290 65.334,1291 154.485,1292 177.24,1293 181.995,1294 181.995,1295 181.995,1296 44.647,1297 6.945,1298 115.87,1299 115.87,1300 17,1301 12.581,1302 4.087,1303 3.17,1304 34.119,1305 61,1306 64,1307 0.284,1308 148.351,1309 243.36,1310 353.738,1311 7880,1312 2.7,1313 15.853,1314 0.721,1315 0.539,1316 14.983,1317 11.863,1318 10.524,1319 0.439,1320 0.279,1321 6.569,1322 9.983,1323 6.442,1324 5.341,1325 10.113,1326 6.702,1327 9.626,1328 0.275,1329 0.143,1330 9.13,1331 5.002,1332 8.556,1333 0.175,1334 0.071,1335 7.894,1336 3.496,1337 6.809,1338 0.103,1339 0.034,1340 6.701,1341 2.265,1342 5.709,1343 0.066,1344 0.018,1345 5.509,1346 1.548,1347 0.42,1348 67.084,1349 0.255,1350 20.956,1351 0.861,1352 118,1353 417.466,1354 134.065,1355 381.836,1356 517.19,1357 354,1358 143,1359 388.079,1360 160.169,1361 384.849,1362 567.96,1363 362,1364 6}
{0 CHEMBL1242379,1 1.596,2 8.125,3 2.598,4 6.751,5 94.127,6 7.276,7 0.615,8 3.912,9 4.041,10 3.46,11 3.364,12 5.056,13 3.364,14 4.433,15 4.626,16 3.846,17 3.733,18 5.486,19 3.733,20 4.579,21 4.744,22 3.963,23 3.909,24 5.701,25 3.891,26 4.827,27 5.072,28 3.973,29 3.998,30 5.856,31 3.939,32 4.754,33 4.969,34 3.813,35 3.972,36 5.75,37 3.894,38 4.679,39 4.888,40 3.784,41 3.919,42 5.723,43 3.826,44 4.785,45 5.06,46 3.566,47 3.809,48 5.771,49 3.676,50 4.619,51 4.918,52 3.333,53 3.542,54 5.48,55 3.395,56 0.063,57 0.683,58 9.739,59 3.759,60 11.156,61 5.187,62 0.301,63 1.035,64 18.558,65 5.903,66 27.044,67 8.406,68 0.313,69 1.265,70 20.347,71 6.429,72 23.495,73 9.511,74 0.451,75 1.429,76 28.662,77 8.619,78 44.753,79 13.092,80 0.442,81 1.344,82 25.971,83 7.887,84 38.411,85 11.773,86 0.24,87 1.277,88 23.162,89 8.089,90 28.785,91 12.148,92 0.559,93 1.211,94 28.537,95 7.863,96 58.547,97 12.615,98 0.433,99 0.899,100 25.224,101 7.473,102 40.689,103 11.576,104 46,105 39,106 0.276,107 0.619,108 0.713,109 0.739,110 0.747,111 0.755,112 3.23,113 0.875,114 -4.38,115 -4.31,116 -4.07,118 37.8,119 3,123 2,128 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 10,172 1,173 1,175 1,178 6,180 1,181 2,182 10,188 3,191 2,192 10,194 3,195 3,197 1,199 4,201 1,203 1,204 6,208 2,211 3,213 2,214 2,215 6,220 4,223 6,225 4,227 3,230 1,231 1,235 3,239 2,240 3,242 1,243 1,252 3,264 774,265 15.781,266 15.781,267 15.781,268 15.781,269 15.781,270 13.964,271 18.3,272 8.874,273 16.378,274 12.687,275 12.687,276 12.687,277 12.687,278 12.687,279 9.76,280 20.44,281 3.993,282 13.464,283 3.896,284 1.914,285 1.368,286 1.218,287 1.173,288 1.129,289 3.902,292 1,293 1,294 1,295 407,296 3.464,299 48.173,300 128.738,303 91.812,307 1.219,308 20.543,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52.5,320 195,321 4.817,322 3.575,323 7.354,324 4.445,325 3.486,326 4.751,327 0.86,328 12.867,329 3.342,330 4.308,331 3.217,332 6.766,333 4.036,334 3.061,335 3.922,336 0.86,337 10.849,338 2.985,339 4.163,340 3.049,341 6.182,342 3.792,343 2.843,344 3.476,346 9.148,347 2.694,348 3.712,349 2.454,350 5.798,351 3.316,352 2.363,353 3.116,355 7.757,356 2.243,357 3.35,358 2.178,359 5.266,360 2.929,361 1.993,362 2.594,364 6.132,365 1.862,366 3.008,367 2.052,368 4.516,369 2.523,370 1.614,371 2.249,373 4.324,374 1.461,375 2.919,376 1.562,377 4.331,378 2.461,379 1.523,380 2.057,382 3.981,383 1.425,384 2.577,385 1.157,386 4.264,387 2.061,388 1.109,389 1.612,391 3.275,392 1.053,393 2.323,394 1.082,395 3.652,396 1.892,397 0.953,398 1.263,400 2.416,401 0.892,402 1.866,403 0.94,404 3.041,405 1.535,406 0.638,407 0.763,409 1.17,410 0.567,411 1.453,412 0.879,413 2.802,414 1.184,415 0.334,416 0.365,417 0.445,418 0.282,419 1.065,420 -0.002,421 2.702,422 0.638,423 -0.277,424 -0.349,425 -0.629,426 -0.253,427 0.867,428 -0.164,429 2.464,430 0.476,431 -0.449,432 -0.556,433 -0.866,434 -0.408,435 0.625,436 -0.56,437 2.388,438 0.166,439 -0.772,440 -1,441 -2.064,442 -0.713,443 0.571,444 -0.766,445 2.229,446 0.084,447 -0.861,448 -1,449 -2.446,450 -0.807,451 11.167,452 0.465,453 0.809,454 0.034,455 31.5,456 1.313,457 15.5,458 0.646,459 16,460 0.667,461 20.72,462 0.863,463 26.633,464 0.592,465 23.541,466 0.981,467 6.185,468 0.258,469 5.178,470 0.216,471 0.26,472 0.045,473 0.349,478 0.9,479 1.427,480 0.807,481 1.235,482 1.08,483 1.036,484 1.188,485 0.964,486 0.669,487 0.713,488 0.811,489 0.628,490 1.048,491 1.403,492 1.026,493 1.172,494 0.853,495 1.094,496 0.877,497 0.911,498 0.837,499 0.863,500 0.86,501 0.839,502 1.244,503 1.055,504 1.233,505 1.037,506 1.164,507 1.113,508 0.636,509 1.44,510 1.073,511 1.42,512 0.871,513 1.336,514 0.84,515 0.907,516 1.128,517 1.033,518 1.403,519 1.097,520 0.745,521 0.831,522 0.79,523 0.933,524 0.56,525 0.886,526 6,527 0.012,528 3.556,529 2.347,530 2.332,531 1.188,532 0.687,533 0.512,534 0.335,535 0.101,536 5155,537 13788,538 1.982,539 46.7,541 9,543 1,544 2,546 9,549 1.677,550 1.789,551 3.007,552 0.337,553 1,554 1,556 1,558 71.798,559 1.596,560 3.578,561 4.124,562 4.274,563 4.319,564 4.363,565 2.44,566 4.387,567 4.556,568 3.148,569 868.897,570 7.906,571 9795.95,573 1,575 1,576 247.133,577 1.75,578 4.469,579 0.231,580 0.003,581 0.091,582 0.056,583 0.056,584 0.034,585 0.021,586 0.021,587 0.018,588 0.008,589 0.539,590 0.17,591 1,592 1.066,593 110.809,594 -0.005,595 -0.167,596 0.066,597 -0.12,598 -0.162,599 -0.029,600 -0.022,601 0.127,602 0.299,603 0.305,604 0.141,605 0.342,606 -0.03,607 -0.194,608 -0.107,609 -0.147,610 0.005,611 -0.138,612 0.035,613 0.119,614 0.133,615 0.103,616 0.109,617 0.129,618 -0.235,619 0.027,620 -0.283,621 -0.046,622 -0.232,623 -0.152,624 0.072,625 -0.356,626 -0.169,627 -0.37,628 0.033,629 -0.323,630 0.065,631 0.055,632 -0.139,633 -0.11,634 -0.196,635 -0.143,636 0.225,637 -0.03,638 0.233,639 0.02,640 0.322,641 0.114,642 1.492,643 2.117,644 0.625,645 17.688,646 1.005,647 1.138,648 3.148,649 9.911,650 0.645,651 3.296,652 3.689,653 3.989,654 4.304,655 4.564,656 4.727,657 4.812,658 4.92,659 4.934,660 4.89,661 5.057,662 0.617,663 327.43,664 3.296,665 4.875,666 5.753,667 6.678,668 7.583,669 8.515,670 9.431,671 10.365,672 11.286,673 12.221,674 11.1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 45,718 16,719 1,720 26,722 47,723 17,724 11,725 3,726 3,728 3,729 4,732 3,740 11,741 6,742 1,756 1,757 1,760 21,761 6,762 2,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,823 5,827 24,828 1,835 2,839 1,850 4.4,855 2,858 13.417,859 9.8,860 5.25,861 2.43,863 3.148,864 1.441,865 0.944,866 4.197,867 10.279,868 3.555,869 4.245,870 4.926,871 5.603,872 6.192,873 6.627,874 7.061,875 7.509,876 7.79,877 8.079,878 1,879 42,880 8.8,881 3.653,882 7.705,883 16.689,884 13.306,885 2.205,886 52.917,889 1,890 223.651,891 108.334,892 84.908,894 22,897 108.334,898 245.651,899 84.908,900 48.242,902 61.326,903 63.72,904 51.397,905 2.328,906 211.88,908 223.651,909 193.242,910 22,913 117.711,914 127.94,917 41.343,918 101.665,919 50.234,921 223.651,922 106.908,923 108.334,926 223.651,927 23.045,928 87.066,930 105.131,931 223.651,932 106.908,933 108.334,935 0.595,936 0.357,937 0.198,938 0.112,939 20,940 10,941 0.085,942 4,943 1,944 1.133,945 3.338,946 206.144,947 0.133,948 15,949 105.284,954 16.681,955 6.039,956 2.866,957 1.444,958 105.131,959 7.096,960 13.267,964 3.273,965 1.867,966 32.897,967 438.893,968 34,980 45.232,981 51.232,983 0.291,984 0.652,985 0.751,986 0.778,987 0.786,988 0.794,989 4.828,990 1.109,991 5.814,992 3.981,993 4.369,994 4.931,995 1.376,996 6.744,997 4.267,998 6.1,999 0.953,1000 7.459,1001 3.275,1002 4.29,1003 4.987,1005 8.034,1006 4.171,1007 7.466,1008 0.638,1009 9.213,1010 2.416,1011 6.129,1012 7.277,1013 1.159,1014 11.109,1015 5.95,1016 8.871,1017 0.334,1018 11.031,1019 1.17,1020 6.825,1021 8.133,1023 13.163,1024 6.623,1025 10.308,1026 -0.277,1027 12.887,1028 0.445,1029 8.228,1030 9.954,1031 0.963,1032 15.848,1033 7.98,1034 11.768,1035 -0.449,1036 14.77,1037 -0.629,1038 9.234,1039 11.179,1041 18.188,1042 8.952,1043 13.245,1044 -0.772,1045 16.672,1046 -0.866,1047 10.499,1048 12.823,1049 0.787,1050 20.76,1051 10.178,1052 3.486,1053 -0.861,1054 18.589,1055 -2.064,1056 11.629,1057 14.222,1059 23.215,1060 11.27,1061 3.061,1062 12.867,1063 20.516,1064 -2.446,1065 12.855,1066 15.799,1067 0.634,1068 25.757,1069 12.456,1070 2.843,1071 10.849,1072 22.453,1073 4.751,1074 14.038,1075 17.279,1077 28.261,1078 13.598,1079 2.363,1080 9.148,1081 24.397,1082 3.922,1083 15.256,1084 18.834,1085 0.504,1086 30.798,1087 14.777,1088 1.993,1089 7.757,1090 26.348,1091 3.476,1092 16.464,1093 20.352,1095 33.323,1096 15.943,1097 1.614,1098 6.132,1099 28.303,1100 3.116,1101 17.685,1102 21.902,1103 0.395,1104 35.863,1105 17.123,1106 1.523,1107 4.324,1108 30.263,1109 2.594,1110 18.905,1111 23.439,1113 38.399,1114 18.301,1115 5230,1116 8685,1117 16.414,1118 29.029,1119 40.222,1120 40.703,1121 42.339,1122 39.702,1123 39.835,1124 52.337,1125 3.44,1126 124.724,1127 37.608,1128 5.508,1129 5.575,1130 6.908,1131 5.518,1132 5.486,1133 7.751,1134 1.72,1135 20.803,1136 5.342,1137 14.778,1138 1.547,1139 1.565,1140 1.628,1141 1.527,1142 1.532,1143 2.013,1144 0.132,1145 4.797,1146 1.446,1147 4.14,1148 4.186,1149 4.123,1150 3.999,1151 5.258,1152 4.023,1153 3.86,1154 3.88,1155 3.815,1156 3.743,1157 4.944,1158 3.758,1159 3.646,1160 3.714,1161 3.524,1162 3.501,1163 4.839,1164 3.495,1165 3.302,1166 3.364,1167 3.206,1168 3.053,1169 4.524,1170 3.083,1171 3.247,1172 3.314,1173 3.051,1174 2.951,1175 4.495,1176 2.96,1177 3.131,1178 3.228,1179 2.979,1180 2.858,1181 4.292,1182 2.872,1183 2.989,1184 3.098,1185 2.859,1186 2.686,1187 4.105,1188 2.722,1189 2.874,1190 3.009,1191 2.594,1192 2.636,1193 3.687,1194 2.616,1195 0.185,1196 0.137,1197 0.283,1198 0.171,1199 0.134,1200 4.817,1201 0.183,1202 3.575,1203 0.033,1204 7.354,1205 0.495,1206 4.445,1207 0.129,1208 3.486,1209 4.751,1210 0.86,1211 12.867,1212 3.342,1213 1.926,1214 1.91,1215 1.998,1216 2.046,1217 1.199,1218 2.027,1219 1.821,1220 1.772,1221 1.984,1222 2.002,1223 1.123,1224 1.993,1225 1.66,1226 1.609,1227 1.782,1228 1.846,1229 0.842,1230 1.839,1231 1.242,1232 1.185,1233 1.576,1234 1.529,1235 0.574,1236 1.54,1237 1.191,1238 1.115,1239 1.565,1240 1.523,1241 0.572,1242 1.535,1243 1.067,1244 0.981,1245 1.417,1246 1.372,1247 0.469,1248 1.35,1249 0.934,1250 0.804,1251 1.417,1252 1.239,1253 0.469,1254 1.308,1255 0.934,1256 0.804,1257 1.239,1258 1.239,1259 0.247,1260 1.308,1261 3.97,1263 5.342,1264 2.398,1265 6.915,1266 4.844,1267 8.578,1268 7.096,1269 10.289,1271 9.403,1275 6.117,1279 10.69,1283 -0.242,1289 27.751,1290 71.798,1291 161.02,1292 185.585,1293 192.339,1294 194.339,1295 196.339,1296 37.822,1297 7.131,1298 88.08,1299 88.08,1300 17,1301 12.723,1302 4.087,1303 3.17,1304 38.92,1305 71,1306 80,1307 0.276,1308 173.132,1309 286.98,1310 414.203,1311 9913,1313 17.483,1314 0.728,1315 0.604,1316 17.483,1317 14.492,1318 11.363,1319 0.437,1320 0.292,1321 7.425,1322 10.737,1323 7.034,1324 5.97,1325 11.363,1326 7.586,1327 10.931,1328 0.28,1329 0.166,1330 10.931,1331 6.459,1332 8.833,1333 0.167,1334 0.071,1335 8.833,1336 3.786,1337 7.608,1338 0.104,1339 0.036,1340 7.608,1341 2.628,1342 6.202,1343 0.065,1344 0.019,1345 6.202,1346 1.796,1347 0.412,1348 72.527,1349 0.247,1350 22.614,1351 0.826,1352 130,1353 389.364,1354 145.526,1355 372.727,1356 519.91,1357 350,1358 157,1359 398.736,1360 174.053,1361 406.41,1362 594.47,1363 376,1364 5.928}
{0 CHEMBL1242380,1 1.652,2 9.16,3 1.639,4 2.685,5 95.897,6 7.466,7 0.593,8 3.944,9 4.067,10 3.502,11 3.373,12 5.117,13 3.386,14 4.456,15 4.638,16 3.837,17 3.738,18 5.537,19 3.738,20 4.604,21 4.782,22 3.967,23 3.88,24 5.716,25 3.866,26 4.777,27 4.996,28 3.969,29 3.935,30 5.881,31 3.901,32 4.76,33 4.979,34 3.87,35 3.94,36 5.808,37 3.882,38 4.714,39 4.932,40 3.82,41 3.902,42 5.787,43 3.83,44 4.71,45 4.954,46 3.749,47 3.807,48 5.746,49 3.723,50 4.641,51 4.879,52 3.547,53 3.645,54 5.792,55 3.556,56 0.116,57 0.69,58 9.78,59 3.796,60 13.901,61 5.087,62 0.4,63 1.033,64 18.718,65 5.964,66 34.505,67 8.238,68 0.375,69 1.22,70 20.971,71 6.84,72 30.271,73 9.975,74 0.618,75 1.341,76 26.89,77 7.685,78 53.668,79 11.384,80 0.564,81 1.317,82 26.204,83 7.546,84 45.06,85 11.448,86 0.45,87 1.263,88 24.371,89 7.577,90 42.033,91 11.541,92 0.482,93 1.147,94 25.544,95 7.854,96 42.428,97 12.058,98 0.646,99 0.995,100 24.459,101 6.595,102 66.878,103 10.046,104 37,105 38,106 0.284,107 0.666,108 0.813,109 0.838,110 0.845,111 0.853,112 3.268,113 0.877,114 -3.63,115 -3.6,116 -3.43,118 37,119 1,121 1,123 2,124 2,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 8,172 1,173 1,175 2,178 3,180 1,181 2,182 9,186 1,188 3,191 2,192 9,194 3,195 4,197 1,199 2,201 1,203 1,204 7,206 1,208 2,211 2,213 2,214 2,215 4,218 1,220 3,223 3,225 2,227 3,228 1,230 1,231 1,233 2,235 3,237 1,239 2,240 1,242 1,243 2,244 1,245 2,246 1,247 1,252 2,257 1,264 915,265 17.041,266 17.041,267 17.041,268 17.041,269 17.041,270 15.186,271 16.216,272 9.83,273 17.644,274 13.113,275 13.113,276 13.113,277 13.113,278 13.113,279 10.153,280 14.645,281 4.381,282 13.917,283 3.872,284 1.653,285 0.805,286 0.658,287 0.614,288 0.571,289 3.946,292 1,293 1,294 1,295 476,296 3.317,299 51.628,300 136.646,303 98.176,307 1.312,308 26.337,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 55.5,320 229,321 4.747,322 3.357,323 7.003,324 4.283,325 3.318,326 4.724,327 0.86,328 11.966,329 3.204,330 4.258,331 3.171,332 6.205,333 3.832,334 2.883,335 3.915,336 0.86,337 9.24,338 2.733,339 3.76,340 2.611,341 5.919,342 3.455,343 2.494,344 3.163,346 8.18,347 2.394,348 3.695,349 2.449,350 5.613,351 3.309,352 2.355,353 3.103,355 7.256,356 2.239,357 3.241,358 2.196,359 4.969,360 3.048,361 2.094,362 2.297,364 5.677,365 1.99,366 3.01,367 2.175,368 4.516,369 2.523,370 1.614,371 2.247,373 4.327,374 1.461,375 2.919,376 1.564,377 4.373,378 2.462,379 1.525,380 2.057,382 3.994,383 1.425,384 2.69,385 1.458,386 4.33,387 2.254,388 1.31,389 1.76,391 3.773,392 1.233,393 2.461,394 1.155,395 3.662,396 1.97,397 1.043,398 1.446,400 2.54,401 0.964,402 1.869,403 0.951,404 3.041,405 1.542,406 0.646,407 0.769,409 1.178,410 0.573,411 1.454,412 0.926,413 2.868,414 1.244,415 0.364,416 0.38,417 0.522,418 0.316,419 1.411,420 0.866,421 2.702,422 1.183,423 0.332,424 0.358,425 0.443,426 0.28,427 1.086,428 -0.001,429 2.465,430 0.715,431 -0.206,432 -0.246,433 -0.482,434 -0.189,435 0.868,436 -0.04,437 2.402,438 0.54,439 -0.398,440 -0.465,441 -0.779,442 -0.368,443 0.803,444 -0.334,445 2.244,446 0.438,447 -0.485,448 -0.611,449 -1.11,450 -0.444,451 11.5,452 0.46,453 0.589,454 0.024,455 32.25,456 1.29,457 15.5,458 0.62,459 16.75,460 0.67,461 20.232,462 0.809,463 28.1,464 0.611,465 24.783,466 0.991,467 6.519,468 0.261,469 5.565,470 0.223,471 0.194,473 0.383,478 0.954,479 1.417,480 0.806,481 1.215,482 1.044,483 1.013,484 1.209,485 0.953,486 0.819,487 0.781,488 0.946,489 0.736,490 0.867,491 1.378,492 0.845,493 1.141,494 0.762,495 1.007,496 1.055,497 0.966,498 0.968,499 0.903,500 1.102,501 0.913,502 1.05,503 1.066,504 1.094,505 0.973,506 0.791,507 1.021,508 0.747,509 1.191,510 1.076,511 1.212,512 0.904,513 1.196,514 0.628,515 1.115,516 0.87,517 1.142,518 0.732,519 1.066,520 1.07,521 0.989,522 1.203,523 1.132,524 1.076,525 1.182,526 5,527 0.074,528 3.111,529 2.167,530 1.842,531 0.973,532 0.746,533 0.545,534 0.265,535 0.162,536 5994,537 17621,538 2.015,539 45.7,540 3,541 13,543 1,544 3,547 1,549 1.688,550 1.852,551 3.173,552 1.045,553 1,554 1,558 75.994,559 1.652,560 3.87,561 4.719,562 4.866,563 4.909,564 4.953,565 2.649,566 4.484,567 4.611,568 3.287,569 986.057,570 8.018,571 11585.8,573 1,575 1,576 254.084,577 1.516,578 4.555,579 0.185,580 0.009,581 0.082,582 0.052,583 0.045,584 0.026,585 0.022,586 0.018,587 0.012,588 0.012,589 0.462,590 0.33,591 1,592 1.389,593 118.182,594 -0.07,595 -0.146,596 0.044,597 -0.085,598 -0.152,599 -0.01,600 -0.124,601 0.157,602 0.125,603 0.249,604 -0.058,605 0.233,606 0.029,607 -0.24,608 0.064,609 -0.091,610 0.039,611 -0.019,612 -0.051,613 0.099,614 -0.003,615 0.059,616 -0.068,617 0.034,618 -0.136,619 0.007,620 -0.148,621 0.009,622 -0.056,623 -0.058,624 0.018,625 -0.097,626 -0.159,627 -0.206,628 -0.062,629 -0.211,630 0.178,631 -0.138,632 0.087,633 -0.145,634 0.108,635 -0.061,636 0.035,637 -0.023,638 -0.202,639 -0.199,640 0.084,641 -0.241,642 1.437,643 3.344,644 0.6,645 21.104,646 1.012,647 1.14,648 2.4,649 5.759,650 0.641,651 3.332,652 3.664,653 3.989,654 4.29,655 4.543,656 4.682,657 4.852,658 4.97,659 4.984,660 4.92,661 5.451,662 0.619,663 343.43,664 3.332,665 4.875,666 5.746,667 6.645,668 7.543,669 8.453,670 9.362,671 10.279,672 11.194,673 12.114,674 10.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 46,718 16,719 1,720 27,722 48,723 17,724 11,725 3,726 3,728 3,729 4,732 2,740 11,741 6,742 1,756 1,757 1,760 21,761 7,762 3,763 8,769 5,775 0.667,776 3,777 1,785 1,788 1,793 1,794 2,797 1,817 1,819 2,823 3,827 25,828 1,832 1,833 2,835 2,837 1,850 6.5,851 1,855 2,858 13.5,859 9.083,860 5.75,861 2.497,863 3.136,864 1.435,865 0.933,866 5.18,867 10.341,868 3.584,869 4.23,870 4.912,871 5.579,872 6.161,873 6.573,874 7.046,875 7.494,876 7.783,877 8.047,878 1,879 42,880 9.178,881 3.807,882 7.82,883 17.287,884 13.714,885 2.32,886 58,890 211.88,891 92.79,892 84.908,894 64.683,897 92.79,898 276.563,899 84.908,900 30.591,901 2.106,902 104.009,903 63.72,904 51.397,905 2.328,906 200.109,908 211.88,909 177.698,910 64.683,913 200.109,914 33.771,915 42.683,917 25.798,918 101.665,919 50.234,921 211.88,922 149.591,923 92.79,926 211.88,927 25.151,928 69.415,930 147.814,931 211.88,932 149.591,933 92.79,935 0.573,936 0.358,937 0.197,938 0.111,939 18,940 9,941 0.125,942 6,943 1,944 1.133,945 3.511,946 212.206,947 0.133,948 15,949 116.096,954 17.61,955 7.354,956 3.309,957 1.317,958 147.814,959 6.954,960 13.08,964 3.075,965 1.75,966 75.581,967 454.261,968 35,980 46.56,981 52.441,983 0.299,984 0.701,985 0.854,986 0.881,987 0.889,988 0.897,989 4.82,990 1.31,991 5.746,992 3.994,993 4.344,994 4.916,995 1.376,996 6.611,997 4.238,998 6.047,999 1.043,1000 7.34,1001 3.773,1002 4.007,1003 4.856,1005 7.639,1006 3.883,1007 7.379,1008 0.646,1009 9.035,1010 2.54,1011 5.984,1012 7.227,1013 1.159,1014 10.772,1015 5.8,1016 8.754,1017 0.364,1018 10.789,1019 1.178,1020 6.479,1021 8.033,1023 12.645,1024 6.268,1025 10.164,1026 0.332,1027 12.582,1028 0.522,1029 7.933,1030 9.888,1031 0.963,1032 15.319,1033 7.68,1034 11.601,1035 -0.206,1036 14.402,1037 0.443,1038 8.805,1039 11.094,1041 17.545,1042 8.519,1043 13.059,1044 -0.398,1045 16.243,1046 -0.482,1047 10.07,1048 12.751,1049 0.787,1050 20.074,1051 9.749,1052 3.318,1053 -0.485,1054 18.099,1055 -0.779,1056 11.112,1057 14.143,1059 22.448,1060 10.757,1061 2.883,1062 11.966,1063 19.969,1064 -1.11,1065 12.313,1066 15.724,1067 0.634,1068 24.935,1069 11.925,1070 2.494,1071 9.24,1072 21.849,1073 4.724,1074 13.432,1075 17.2,1077 27.369,1078 13.01,1079 2.355,1080 8.18,1081 23.739,1082 3.915,1083 14.615,1084 18.755,1085 0.504,1086 29.846,1087 14.16,1088 2.094,1089 7.256,1090 25.636,1091 3.163,1092 15.769,1093 20.269,1095 32.306,1096 15.282,1097 1.614,1098 5.677,1099 27.539,1100 3.103,1101 16.95,1102 21.816,1103 0.395,1104 34.783,1105 16.43,1106 1.525,1107 4.327,1108 29.449,1109 2.297,1110 18.122,1111 23.348,1113 37.254,1114 17.569,1115 6063,1116 10497,1117 17.512,1118 29.483,1119 39.919,1120 41.227,1121 43.073,1122 39.811,1123 39.957,1124 52.437,1125 3.44,1126 118.193,1127 37.625,1128 5.558,1129 5.357,1130 6.556,1131 5.357,1132 5.318,1133 7.724,1134 1.72,1135 19.355,1136 5.204,1137 14.274,1138 1.478,1139 1.527,1140 1.595,1141 1.474,1142 1.48,1143 1.942,1144 0.127,1145 4.378,1146 1.394,1147 4.132,1148 4.178,1149 4.115,1150 3.993,1151 6.456,1152 4.016,1153 3.856,1154 3.876,1155 3.812,1156 3.735,1157 5.257,1158 3.751,1159 3.67,1160 3.729,1161 3.535,1162 3.518,1163 4.943,1164 3.512,1165 3.327,1166 3.404,1167 3.249,1168 3.061,1169 4.834,1170 3.097,1171 3.247,1172 3.314,1173 3.068,1174 2.953,1175 4.514,1176 2.963,1177 3.213,1178 3.291,1179 3.05,1180 2.919,1181 4.494,1182 2.943,1183 2.999,1184 3.098,1185 2.867,1186 2.762,1187 4.243,1188 2.772,1189 2.963,1190 3.053,1191 2.709,1192 2.638,1193 4.015,1194 2.63,1195 0.176,1196 0.124,1197 0.259,1198 0.159,1199 0.123,1200 4.747,1201 0.175,1202 3.357,1203 0.032,1204 7.003,1205 0.443,1206 4.283,1207 0.119,1208 3.318,1209 4.724,1210 0.86,1211 11.966,1212 3.204,1213 1.926,1214 1.909,1215 1.994,1216 2.04,1217 1.265,1218 2.021,1219 1.8,1220 1.753,1221 1.966,1222 1.992,1223 1.126,1224 1.979,1225 1.666,1226 1.616,1227 1.795,1228 1.855,1229 0.87,1230 1.851,1231 1.289,1232 1.23,1233 1.576,1234 1.589,1235 0.59,1236 1.567,1237 1.192,1238 1.115,1239 1.569,1240 1.523,1241 0.574,1242 1.539,1243 1.15,1244 1.062,1245 1.429,1246 1.462,1247 0.536,1248 1.469,1249 0.935,1250 0.865,1251 1.347,1252 1.29,1253 0.436,1254 1.313,1255 0.927,1256 0.828,1257 1.168,1258 1.217,1259 0.205,1260 1.212,1261 4.007,1263 5.333,1264 2.398,1265 6.868,1266 4.844,1267 8.501,1268 7.066,1269 10.187,1271 5.108,1275 6.088,1276 9.344,1277 0.588,1279 10.657,1281 0.039,1289 28.466,1290 75.994,1291 178.026,1292 217.064,1293 223.819,1294 225.819,1295 227.819,1296 43.387,1297 7.204,1298 108.31,1299 108.31,1300 17,1301 12.624,1302 4.087,1303 3.17,1304 41.421,1305 79,1306 87,1307 0.26,1308 177.128,1309 295.77,1310 423.953,1311 11098,1313 17.974,1314 0.719,1315 0.577,1316 17.974,1317 14.431,1318 12.083,1319 0.448,1320 0.292,1321 7.703,1322 11.377,1323 7.442,1324 6.248,1325 12.083,1326 7.889,1327 10.468,1328 0.275,1329 0.154,1330 10.468,1331 5.846,1332 9.26,1333 0.175,1334 0.076,1335 9.26,1336 4.012,1337 7.704,1338 0.107,1339 0.037,1340 7.704,1341 2.696,1342 6.322,1343 0.068,1344 0.02,1345 6.322,1346 1.824,1347 0.393,1348 77.617,1349 0.239,1350 23.679,1351 0.764,1352 130,1353 421.513,1354 146.299,1355 397.437,1356 545.17,1357 374,1358 156,1359 402.547,1360 174.049,1361 407.751,1362 597.6,1363 379,1364 4.77}
{0 CHEMBL1242381,1 1.652,2 9.16,3 1.639,4 2.685,5 95.897,6 7.466,7 0.593,8 3.944,9 4.067,10 3.502,11 3.373,12 5.117,13 3.386,14 4.456,15 4.638,16 3.837,17 3.738,18 5.537,19 3.738,20 4.604,21 4.782,22 3.967,23 3.88,24 5.716,25 3.866,26 4.777,27 4.996,28 3.969,29 3.935,30 5.881,31 3.901,32 4.76,33 4.979,34 3.87,35 3.94,36 5.808,37 3.882,38 4.714,39 4.932,40 3.82,41 3.902,42 5.787,43 3.83,44 4.71,45 4.954,46 3.749,47 3.807,48 5.746,49 3.723,50 4.641,51 4.879,52 3.547,53 3.645,54 5.792,55 3.556,56 0.116,57 0.69,58 9.78,59 3.796,60 13.901,61 5.087,62 0.4,63 1.033,64 18.718,65 5.964,66 34.505,67 8.238,68 0.375,69 1.22,70 20.971,71 6.84,72 30.271,73 9.975,74 0.618,75 1.341,76 26.89,77 7.685,78 53.668,79 11.384,80 0.564,81 1.317,82 26.204,83 7.546,84 45.06,85 11.448,86 0.45,87 1.263,88 24.371,89 7.577,90 42.033,91 11.541,92 0.482,93 1.147,94 25.544,95 7.854,96 42.428,97 12.058,98 0.646,99 0.995,100 24.459,101 6.595,102 66.878,103 10.046,104 37,105 38,106 0.284,107 0.666,108 0.813,109 0.838,110 0.845,111 0.853,112 3.268,113 0.877,114 -3.63,115 -3.6,116 -3.43,118 37,119 1,121 1,123 2,124 2,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 8,172 1,173 1,175 2,178 3,180 1,181 2,182 9,186 1,188 3,191 2,192 9,194 3,195 4,197 1,199 2,201 1,203 1,204 7,206 1,208 2,211 2,213 2,214 2,215 4,218 1,220 3,223 3,225 2,227 3,228 1,230 1,231 1,233 2,235 3,237 1,239 2,240 1,242 1,243 2,244 1,245 2,246 1,247 1,252 2,257 1,264 915,265 17.041,266 17.041,267 17.041,268 17.041,269 17.041,270 15.186,271 16.216,272 9.83,273 17.644,274 13.113,275 13.113,276 13.113,277 13.113,278 13.113,279 10.153,280 14.645,281 4.381,282 13.917,283 3.872,284 1.653,285 0.805,286 0.658,287 0.614,288 0.571,289 3.946,292 1,293 1,294 1,295 476,296 3.317,299 51.628,300 136.646,303 98.176,307 1.312,308 26.337,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 55.5,320 229,321 4.747,322 3.357,323 7.003,324 4.283,325 3.318,326 4.724,327 0.86,328 11.966,329 3.204,330 4.258,331 3.171,332 6.205,333 3.832,334 2.883,335 3.915,336 0.86,337 9.24,338 2.733,339 3.76,340 2.611,341 5.919,342 3.455,343 2.494,344 3.163,346 8.18,347 2.394,348 3.695,349 2.449,350 5.613,351 3.309,352 2.355,353 3.103,355 7.256,356 2.239,357 3.241,358 2.196,359 4.969,360 3.048,361 2.094,362 2.297,364 5.677,365 1.99,366 3.01,367 2.175,368 4.516,369 2.523,370 1.614,371 2.247,373 4.327,374 1.461,375 2.919,376 1.564,377 4.373,378 2.462,379 1.525,380 2.057,382 3.994,383 1.425,384 2.69,385 1.458,386 4.33,387 2.254,388 1.31,389 1.76,391 3.773,392 1.233,393 2.461,394 1.155,395 3.662,396 1.97,397 1.043,398 1.446,400 2.54,401 0.964,402 1.869,403 0.951,404 3.041,405 1.542,406 0.646,407 0.769,409 1.178,410 0.573,411 1.454,412 0.926,413 2.868,414 1.244,415 0.364,416 0.38,417 0.522,418 0.316,419 1.411,420 0.866,421 2.702,422 1.183,423 0.332,424 0.358,425 0.443,426 0.28,427 1.086,428 -0.001,429 2.465,430 0.715,431 -0.206,432 -0.246,433 -0.482,434 -0.189,435 0.868,436 -0.04,437 2.402,438 0.54,439 -0.398,440 -0.465,441 -0.779,442 -0.368,443 0.803,444 -0.334,445 2.244,446 0.438,447 -0.485,448 -0.611,449 -1.11,450 -0.444,451 11.5,452 0.46,453 0.589,454 0.024,455 32.25,456 1.29,457 15.5,458 0.62,459 16.75,460 0.67,461 20.232,462 0.809,463 28.1,464 0.611,465 24.783,466 0.991,467 6.519,468 0.261,469 5.565,470 0.223,471 0.194,473 0.383,478 0.954,479 1.417,480 0.806,481 1.215,482 1.044,483 1.013,484 1.209,485 0.953,486 0.819,487 0.781,488 0.946,489 0.736,490 0.867,491 1.378,492 0.845,493 1.141,494 0.762,495 1.007,496 1.055,497 0.966,498 0.968,499 0.903,500 1.102,501 0.913,502 1.05,503 1.066,504 1.094,505 0.973,506 0.791,507 1.021,508 0.747,509 1.191,510 1.076,511 1.212,512 0.904,513 1.196,514 0.628,515 1.115,516 0.87,517 1.142,518 0.732,519 1.066,520 1.07,521 0.989,522 1.203,523 1.132,524 1.076,525 1.182,526 5,527 0.074,528 3.111,529 2.167,530 1.842,531 0.973,532 0.746,533 0.545,534 0.265,535 0.162,536 5994,537 17621,538 2.015,539 45.7,540 3,541 13,543 1,544 3,547 1,549 1.688,550 1.852,551 3.173,552 1.045,553 1,554 1,558 75.994,559 1.652,560 3.87,561 4.719,562 4.866,563 4.909,564 4.953,565 2.649,566 4.484,567 4.611,568 3.287,569 986.057,570 8.018,571 11585.8,573 1,575 1,576 254.084,577 1.516,578 4.555,579 0.185,580 0.009,581 0.082,582 0.052,583 0.045,584 0.026,585 0.022,586 0.018,587 0.012,588 0.012,589 0.462,590 0.33,591 1,592 1.389,593 118.182,594 -0.07,595 -0.146,596 0.044,597 -0.085,598 -0.152,599 -0.01,600 -0.124,601 0.157,602 0.125,603 0.249,604 -0.058,605 0.233,606 0.029,607 -0.24,608 0.064,609 -0.091,610 0.039,611 -0.019,612 -0.051,613 0.099,614 -0.003,615 0.059,616 -0.068,617 0.034,618 -0.136,619 0.007,620 -0.148,621 0.009,622 -0.056,623 -0.058,624 0.018,625 -0.097,626 -0.159,627 -0.206,628 -0.062,629 -0.211,630 0.178,631 -0.138,632 0.087,633 -0.145,634 0.108,635 -0.061,636 0.035,637 -0.023,638 -0.202,639 -0.199,640 0.084,641 -0.241,642 1.437,643 3.344,644 0.6,645 21.104,646 1.012,647 1.14,648 2.4,649 5.759,650 0.641,651 3.332,652 3.664,653 3.989,654 4.29,655 4.543,656 4.682,657 4.852,658 4.97,659 4.984,660 4.92,661 5.451,662 0.619,663 343.43,664 3.332,665 4.875,666 5.746,667 6.645,668 7.543,669 8.453,670 9.362,671 10.279,672 11.194,673 12.114,674 10.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 46,718 16,719 1,720 27,722 48,723 17,724 11,725 3,726 3,728 3,729 4,732 2,740 11,741 6,742 1,756 1,757 1,760 21,761 7,762 3,763 8,769 5,775 0.667,776 3,777 1,785 1,788 1,793 1,794 2,797 1,817 1,819 2,823 3,827 25,828 1,832 1,833 2,835 2,837 1,850 6.5,851 1,855 2,858 13.5,859 9.083,860 5.75,861 2.497,863 3.136,864 1.435,865 0.933,866 5.18,867 10.341,868 3.584,869 4.23,870 4.912,871 5.579,872 6.161,873 6.573,874 7.046,875 7.494,876 7.783,877 8.047,878 1,879 42,880 9.178,881 3.807,882 7.82,883 17.287,884 13.714,885 2.32,886 58,890 211.88,891 92.79,892 84.908,894 64.683,897 92.79,898 276.563,899 84.908,900 30.591,901 2.106,902 104.009,903 63.72,904 51.397,905 2.328,906 200.109,908 211.88,909 177.698,910 64.683,913 200.109,914 33.771,915 42.683,917 25.798,918 101.665,919 50.234,921 211.88,922 149.591,923 92.79,926 211.88,927 25.151,928 69.415,930 147.814,931 211.88,932 149.591,933 92.79,935 0.573,936 0.358,937 0.197,938 0.111,939 18,940 9,941 0.125,942 6,943 1,944 1.133,945 3.511,946 212.206,947 0.133,948 15,949 116.096,954 17.61,955 7.354,956 3.309,957 1.317,958 147.814,959 6.954,960 13.08,964 3.075,965 1.75,966 75.581,967 454.261,968 35,980 46.56,981 52.441,983 0.299,984 0.701,985 0.854,986 0.881,987 0.889,988 0.897,989 4.82,990 1.31,991 5.746,992 3.994,993 4.344,994 4.916,995 1.376,996 6.611,997 4.238,998 6.047,999 1.043,1000 7.34,1001 3.773,1002 4.007,1003 4.856,1005 7.639,1006 3.883,1007 7.379,1008 0.646,1009 9.035,1010 2.54,1011 5.984,1012 7.227,1013 1.159,1014 10.772,1015 5.8,1016 8.754,1017 0.364,1018 10.789,1019 1.178,1020 6.479,1021 8.033,1023 12.645,1024 6.268,1025 10.164,1026 0.332,1027 12.582,1028 0.522,1029 7.933,1030 9.888,1031 0.963,1032 15.319,1033 7.68,1034 11.601,1035 -0.206,1036 14.402,1037 0.443,1038 8.805,1039 11.094,1041 17.545,1042 8.519,1043 13.059,1044 -0.398,1045 16.243,1046 -0.482,1047 10.07,1048 12.751,1049 0.787,1050 20.074,1051 9.749,1052 3.318,1053 -0.485,1054 18.099,1055 -0.779,1056 11.112,1057 14.143,1059 22.448,1060 10.757,1061 2.883,1062 11.966,1063 19.969,1064 -1.11,1065 12.313,1066 15.724,1067 0.634,1068 24.935,1069 11.925,1070 2.494,1071 9.24,1072 21.849,1073 4.724,1074 13.432,1075 17.2,1077 27.369,1078 13.01,1079 2.355,1080 8.18,1081 23.739,1082 3.915,1083 14.615,1084 18.755,1085 0.504,1086 29.846,1087 14.16,1088 2.094,1089 7.256,1090 25.636,1091 3.163,1092 15.769,1093 20.269,1095 32.306,1096 15.282,1097 1.614,1098 5.677,1099 27.539,1100 3.103,1101 16.95,1102 21.816,1103 0.395,1104 34.783,1105 16.43,1106 1.525,1107 4.327,1108 29.449,1109 2.297,1110 18.122,1111 23.348,1113 37.254,1114 17.569,1115 6063,1116 10497,1117 17.512,1118 29.483,1119 39.919,1120 41.227,1121 43.073,1122 39.811,1123 39.957,1124 52.437,1125 3.44,1126 118.193,1127 37.625,1128 5.558,1129 5.357,1130 6.556,1131 5.357,1132 5.318,1133 7.724,1134 1.72,1135 19.355,1136 5.204,1137 14.274,1138 1.478,1139 1.527,1140 1.595,1141 1.474,1142 1.48,1143 1.942,1144 0.127,1145 4.378,1146 1.394,1147 4.132,1148 4.178,1149 4.115,1150 3.993,1151 6.456,1152 4.016,1153 3.856,1154 3.876,1155 3.812,1156 3.735,1157 5.257,1158 3.751,1159 3.67,1160 3.729,1161 3.535,1162 3.518,1163 4.943,1164 3.512,1165 3.327,1166 3.404,1167 3.249,1168 3.061,1169 4.834,1170 3.097,1171 3.247,1172 3.314,1173 3.068,1174 2.953,1175 4.514,1176 2.963,1177 3.213,1178 3.291,1179 3.05,1180 2.919,1181 4.494,1182 2.943,1183 2.999,1184 3.098,1185 2.867,1186 2.762,1187 4.243,1188 2.772,1189 2.963,1190 3.053,1191 2.709,1192 2.638,1193 4.015,1194 2.63,1195 0.176,1196 0.124,1197 0.259,1198 0.159,1199 0.123,1200 4.747,1201 0.175,1202 3.357,1203 0.032,1204 7.003,1205 0.443,1206 4.283,1207 0.119,1208 3.318,1209 4.724,1210 0.86,1211 11.966,1212 3.204,1213 1.926,1214 1.909,1215 1.994,1216 2.04,1217 1.265,1218 2.021,1219 1.8,1220 1.753,1221 1.966,1222 1.992,1223 1.126,1224 1.979,1225 1.666,1226 1.616,1227 1.795,1228 1.855,1229 0.87,1230 1.851,1231 1.289,1232 1.23,1233 1.576,1234 1.589,1235 0.59,1236 1.567,1237 1.192,1238 1.115,1239 1.569,1240 1.523,1241 0.574,1242 1.539,1243 1.15,1244 1.062,1245 1.429,1246 1.462,1247 0.536,1248 1.469,1249 0.935,1250 0.865,1251 1.347,1252 1.29,1253 0.436,1254 1.313,1255 0.927,1256 0.828,1257 1.168,1258 1.217,1259 0.205,1260 1.212,1261 4.007,1263 5.333,1264 2.398,1265 6.868,1266 4.844,1267 8.501,1268 7.066,1269 10.187,1271 5.108,1275 6.088,1276 9.344,1277 0.588,1279 10.657,1281 0.039,1289 28.466,1290 75.994,1291 178.026,1292 217.064,1293 223.819,1294 225.819,1295 227.819,1296 43.387,1297 7.204,1298 108.31,1299 108.31,1300 17,1301 12.624,1302 4.087,1303 3.17,1304 41.421,1305 79,1306 87,1307 0.26,1308 177.128,1309 295.77,1310 423.953,1311 11098,1313 17.974,1314 0.719,1315 0.577,1316 17.974,1317 14.431,1318 12.083,1319 0.448,1320 0.292,1321 7.703,1322 11.377,1323 7.442,1324 6.248,1325 12.083,1326 7.889,1327 10.468,1328 0.275,1329 0.154,1330 10.468,1331 5.846,1332 9.26,1333 0.175,1334 0.076,1335 9.26,1336 4.012,1337 7.704,1338 0.107,1339 0.037,1340 7.704,1341 2.696,1342 6.322,1343 0.068,1344 0.02,1345 6.322,1346 1.824,1347 0.393,1348 77.617,1349 0.239,1350 23.679,1351 0.764,1352 130,1353 421.513,1354 146.299,1355 397.437,1356 545.17,1357 374,1358 156,1359 402.547,1360 174.049,1361 407.751,1362 597.6,1363 379,1364 4.721}
{0 CHEMBL1242384,1 1.454,2 8.043,3 2.926,4 8.559,5 92.546,6 7.473,7 0.769,8 3.836,9 3.976,10 3.425,11 3.362,12 4.95,13 3.351,14 4.353,15 4.549,16 3.824,17 3.767,18 5.391,19 3.748,20 4.528,21 4.729,22 3.873,23 3.896,24 5.568,25 3.853,26 4.652,27 4.885,28 3.835,29 3.928,30 5.689,31 3.851,32 4.575,33 4.813,34 3.638,35 3.832,36 5.523,37 3.735,38 4.469,39 4.694,40 3.609,41 3.745,42 5.496,43 3.659,44 4.508,45 4.772,46 3.398,47 3.658,48 5.466,49 3.534,50 4.388,51 4.698,52 3.146,53 3.441,54 5.2,55 3.279,56 0.05,57 0.687,58 8.393,59 3.228,60 9.759,61 4.534,62 0.181,63 1.085,64 15.715,65 5.347,66 17.584,67 7.772,68 0.161,69 1.255,70 18.834,71 6.331,72 19.09,73 9.301,74 0.302,75 1.342,76 22.529,77 7.537,78 33.964,79 11.091,80 0.192,81 1.203,82 20.985,83 6.905,84 26.333,85 10.303,86 0.155,87 1.109,88 18.432,89 6.262,90 25.42,91 9.28,92 0.233,93 1.071,94 20.477,95 6.309,96 34.098,97 9.613,98 0.239,99 0.866,100 19.545,101 6.399,102 25.471,103 9.788,104 18,105 39,106 0.253,107 0.657,108 0.786,109 0.82,110 0.828,111 0.828,112 3.19,113 0.877,114 -4.52,115 -4.45,116 -4.19,118 41.5,119 2,123 1,126 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 10,172 1,173 1,175 1,178 7,180 1,181 1,182 7,188 6,191 2,192 9,194 3,195 3,197 1,199 5,201 1,204 7,208 2,211 3,213 2,214 1,215 8,220 4,223 4,225 4,227 1,228 2,233 1,235 4,237 1,239 2,242 1,243 1,247 2,252 2,264 671,265 15.43,266 15.43,267 15.43,268 15.43,269 15.43,270 13.141,271 12.649,272 8.731,273 15.798,274 12.805,275 12.805,276 12.805,277 12.805,278 12.805,279 9.279,280 10,281 4.091,282 13.389,283 3.904,284 1.579,285 0.836,286 0.641,287 0.592,288 0.592,289 3.883,292 1,293 1,294 1,295 406,296 2.739,299 86.762,300 100.078,303 156.288,307 1.18,308 14.298,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 49,320 185,321 4.765,322 3.377,323 7.04,324 4.305,325 3.341,326 4.741,328 12.089,329 3.225,330 4.521,331 3.082,332 6.496,333 4.018,334 3.052,335 4.477,337 10.114,338 2.95,339 3.889,340 2.688,341 6.132,342 3.541,343 2.584,344 3.361,346 8.742,347 2.471,348 3.766,349 2.469,350 5.747,351 3.368,352 2.412,353 3.188,355 7.555,356 2.304,357 3.241,358 1.893,359 4.958,360 2.765,361 1.816,362 2.559,364 5.389,365 1.719,366 3.05,367 1.808,368 4.817,369 2.68,370 1.739,371 2.32,373 4.817,374 1.634,375 3.014,376 1.546,377 4.424,378 2.516,379 1.546,380 2.138,382 4.069,383 1.495,384 2.803,385 1.357,386 4.113,387 2.292,388 1.338,389 1.94,391 3.505,392 1.272,393 2.495,394 1.036,395 3.859,396 1.986,397 1.033,398 1.492,400 2.738,401 0.982,402 2.146,403 0.838,404 3.489,405 1.769,406 0.806,407 1.042,409 2.035,410 0.775,411 2.06,412 0.65,413 3.207,414 1.596,415 0.614,416 0.879,417 1.459,418 0.602,419 1.064,420 -0.142,421 2.688,422 0.643,423 -0.279,424 -0.353,425 -0.655,426 -0.256,427 0.922,428 -0.348,429 2.425,430 0.507,431 -0.449,432 -0.583,433 -1.104,434 -0.429,435 0.757,436 -0.646,437 2.262,438 0.297,439 -0.678,440 -0.939,441 -1.961,442 -0.657,443 0.606,444 -0.797,445 2.229,446 0.094,447 -0.844,448 -1,449 -2,450 -0.791,451 10.9,452 0.474,453 0.699,454 0.03,455 32.25,456 1.402,457 16.5,458 0.717,459 15.75,460 0.685,461 17.314,462 0.753,463 23.9,464 0.583,465 22.342,466 0.971,467 6.175,468 0.268,469 4.884,470 0.212,471 0.174,473 0.44,478 0.914,479 1.349,480 0.776,481 1.053,482 1.115,483 0.922,484 0.94,485 0.994,486 0.695,487 0.766,488 0.583,489 0.708,490 1.129,491 1.185,492 0.93,493 0.994,494 0.818,495 0.944,496 0.935,497 0.953,498 0.995,499 0.996,500 0.964,501 1.002,502 1.189,503 1.078,504 1.128,505 1.073,506 1.071,507 1.089,508 1.045,509 1.222,510 1.086,511 1.183,512 1.205,513 1.148,514 1.234,515 1.033,516 1.209,517 1.096,518 1.652,519 1.14,520 0.637,521 0.763,522 0.846,523 0.886,524 0.772,525 0.894,526 4.5,527 0.012,528 3.333,529 2.458,530 1.722,531 0.834,532 0.54,533 0.345,534 0.285,535 0.119,536 5184,537 12270,538 2.115,539 43.9,541 8,542 1,543 1,544 2,546 6,549 1.663,550 1.944,551 3.006,552 0.321,553 1,554 1,556 1,558 59.604,559 1.454,560 3.779,561 4.522,562 4.717,563 4.766,564 4.766,565 2.442,566 4.35,567 4.497,568 3.131,569 792.072,570 7.772,571 8595.36,572 1,573 1,575 1,576 219.66,577 1.491,578 4.44,579 0.173,580 0.004,581 0.085,582 0.061,583 0.047,584 0.028,585 0.019,586 0.016,587 0.017,588 0.012,589 0.461,590 0.33,591 1,592 0.832,593 104.594,594 0.044,595 -0.154,596 0.071,597 -0.049,598 -0.18,599 0.004,600 0.126,601 0.121,602 0.226,603 0.207,604 0.21,605 0.226,606 -0.098,607 -0.093,608 -0.01,609 -0.022,610 0.035,611 -0.007,612 0.105,613 0.079,614 -0.04,615 -0.031,616 0.081,617 -0.052,618 -0.215,619 -0.072,620 -0.174,621 -0.098,622 -0.134,623 -0.125,624 -0.08,625 -0.199,626 -0.146,627 -0.204,628 -0.054,629 -0.188,630 -0.181,631 -0.067,632 -0.219,633 -0.146,634 -0.359,635 -0.181,636 0.244,637 0.075,638 0.194,639 0.104,640 0.149,641 0.135,642 1.204,643 2.116,644 0.783,645 15.905,646 0.998,647 1.134,648 3.294,649 10.849,650 0.673,651 3.296,652 3.689,653 4.043,654 4.382,655 4.615,656 4.771,657 4.913,658 5.069,659 5.13,660 5.204,661 4.952,662 0.641,663 306.41,664 3.296,665 4.875,666 5.771,667 6.693,668 7.609,669 8.536,670 9.459,671 10.387,672 11.312,673 12.241,674 14.6,678 1,682 2,684 3,689 4,690 6,691 3,695 3,696 2,697 20,708 1,716 41,718 20,719 1,720 26,722 44,723 17,724 13,725 3,726 3,728 4,729 6,732 2,738 1,740 13,741 4,756 1,757 1,760 18,761 4,762 2,763 6,769 6,775 0.5,785 1,788 1,789 1,793 2,794 2,797 2,819 2,823 3,827 23,828 1,837 1,858 11.833,859 8.417,860 4.889,861 2.458,863 4.051,864 1.542,865 1.032,866 3.133,867 11.528,868 3.611,869 4.35,870 5.089,871 5.798,872 6.362,873 6.826,874 7.337,875 7.86,876 8.208,877 8.642,878 1,879 40,880 8.448,881 3.624,882 7.587,883 16.298,884 13.625,885 2.087,886 48,889 1,890 188.338,891 98.893,892 86.807,897 98.893,898 188.338,899 86.807,900 26.047,902 79.85,903 63.72,904 23.383,905 16.243,906 164.795,908 188.338,909 185.7,913 117.711,914 70.627,917 34.417,918 101.05,919 50.234,921 188.338,922 86.807,923 98.893,926 188.338,927 17.276,928 85.293,930 83.131,931 188.338,932 86.807,933 98.893,935 0.6,936 0.366,937 0.207,938 0.113,939 22,940 10,941 0.045,942 2,943 2,944 1.222,945 3.401,946 201.468,947 0.222,948 18,949 102.042,954 14.218,955 5.067,956 2.116,957 3.949,958 83.131,959 11.944,960 13.284,964 2.317,965 3.999,966 32.897,967 374.038,968 36,980 40.912,981 46.481,983 0.271,984 0.705,985 0.844,986 0.88,987 0.89,988 0.89,989 4.868,990 1.338,991 5.796,992 4.069,993 4.369,994 5.037,996 6.696,997 4.287,998 6.134,999 1.033,1000 7.413,1001 3.505,1002 4.111,1003 5.047,1005 7.763,1006 3.992,1007 7.488,1008 0.806,1009 9.13,1010 2.738,1011 6.047,1012 7.431,1014 10.916,1015 5.892,1016 8.884,1017 0.614,1018 10.904,1019 2.035,1020 6.608,1021 8.299,1023 12.819,1024 6.418,1025 10.315,1026 -0.279,1027 12.716,1028 1.459,1029 8.05,1030 10.159,1032 15.501,1033 7.828,1034 11.77,1035 -0.449,1036 14.553,1037 -0.655,1038 8.965,1039 11.409,1041 17.738,1042 8.708,1043 13.246,1044 -0.678,1045 16.408,1046 -1.104,1047 10.23,1048 13.068,1050 20.27,1051 9.941,1052 3.341,1053 -0.844,1054 18.277,1055 -1.961,1056 11.298,1057 14.485,1059 22.646,1060 10.974,1061 3.052,1062 12.089,1063 20.158,1064 -2,1065 12.502,1066 16.067,1068 25.133,1069 12.145,1070 2.584,1071 10.114,1072 22.047,1073 4.741,1074 13.635,1075 17.554,1077 27.568,1078 13.243,1079 2.412,1080 8.742,1081 23.944,1082 4.477,1083 14.821,1084 19.108,1086 30.045,1087 14.397,1088 1.816,1089 7.555,1090 25.847,1091 3.361,1092 15.984,1093 20.625,1095 32.506,1096 15.524,1097 1.739,1098 5.389,1099 27.755,1100 3.188,1101 17.167,1102 22.17,1104 34.984,1105 16.673,1106 1.546,1107 4.817,1108 29.668,1109 2.559,1110 18.344,1111 23.7,1113 37.458,1114 17.815,1115 4960,1116 7764,1117 17.224,1118 27.603,1119 41.038,1120 40.471,1121 42.566,1122 40.604,1123 40.56,1124 56.276,1126 125.023,1127 38.856,1128 5.439,1129 5.377,1130 6.568,1131 5.378,1132 5.341,1133 7.741,1135 19.561,1136 5.225,1137 11.753,1138 1.578,1139 1.557,1140 1.637,1141 1.562,1142 1.56,1143 2.164,1145 4.809,1146 1.494,1147 4.182,1148 4.221,1149 4.155,1150 4.08,1151 5.257,1152 4.092,1153 4.034,1154 4.083,1155 4.004,1156 3.877,1157 4.947,1158 3.905,1159 3.579,1160 3.656,1161 3.445,1162 3.416,1163 4.836,1164 3.407,1165 3.464,1166 3.525,1167 3.383,1168 3.313,1169 4.515,1170 3.323,1171 3.142,1172 3.241,1173 3.02,1174 2.935,1175 4.243,1176 2.932,1177 3.077,1178 3.156,1179 2.909,1180 2.886,1181 4.029,1182 2.899,1183 2.987,1184 3.094,1185 2.864,1186 2.683,1187 3.839,1188 2.719,1189 2.874,1190 3.009,1191 2.548,1192 2.618,1193 3.683,1194 2.57,1195 0.183,1196 0.13,1197 0.271,1198 0.166,1199 0.128,1200 4.765,1201 0.182,1202 3.377,1204 7.04,1205 0.465,1206 4.305,1207 0.124,1208 3.341,1209 4.741,1211 12.089,1212 3.225,1213 1.97,1214 1.95,1215 2.039,1216 2.055,1217 1.204,1218 2.049,1219 1.81,1220 1.762,1221 1.947,1222 2.007,1223 1.143,1224 1.986,1225 1.627,1226 1.56,1227 1.796,1228 1.841,1229 0.888,1230 1.836,1231 1.563,1232 1.499,1233 1.755,1234 1.761,1235 0.817,1236 1.768,1237 1.215,1238 1.16,1239 1.425,1240 1.419,1241 0.484,1242 1.407,1243 1.028,1244 0.942,1245 1.417,1246 1.297,1247 0.469,1248 1.316,1249 0.934,1250 0.804,1251 1.25,1252 1.239,1253 0.283,1254 1.308,1255 0.86,1256 0.767,1257 1.141,1258 1.188,1259 0.092,1260 1.187,1261 3.97,1263 5.342,1264 3.045,1265 6.909,1266 5.476,1267 8.566,1268 7.644,1269 10.272,1271 6.195,1275 6.116,1281 0.195,1289 26.289,1290 59.604,1291 154.931,1292 185.395,1293 193.395,1294 195.395,1295 195.395,1296 27.178,1297 7.477,1298 74.55,1299 74.55,1300 22,1301 12.745,1302 4.392,1303 3.459,1304 31.661,1305 67,1306 70,1307 0.236,1308 161.613,1309 254.5,1310 386.096,1311 16190,1313 16.137,1314 0.702,1315 0.581,1316 16.137,1317 13.355,1318 11.059,1319 0.425,1320 0.292,1321 7.492,1322 10.627,1323 7.209,1324 6.043,1325 11.059,1326 7.601,1327 10.509,1328 0.269,1329 0.155,1330 10.509,1331 6.045,1332 9.204,1333 0.164,1334 0.074,1335 9.204,1336 4.166,1337 8.126,1338 0.103,1339 0.038,1340 8.126,1341 2.986,1342 6.539,1343 0.065,1344 0.02,1345 6.539,1346 1.992,1347 0.354,1348 69.153,1349 0.241,1350 21.864,1351 0.701,1352 130,1353 331.538,1354 141.518,1355 331.605,1356 477.07,1357 312,1358 160,1359 382.11,1360 173.294,1361 389.328,1362 575.66,1363 366,1364 4}
{0 CHEMBL1242385,1 1.433,2 8.68,3 3.601,4 12.969,5 99.792,6 7.388,7 0.69,8 3.937,9 4.073,10 3.523,11 3.484,12 4.988,13 3.467,14 4.492,15 4.679,16 3.924,17 3.928,18 5.466,19 3.89,20 4.726,21 4.954,22 3.938,23 4.026,24 5.647,25 3.953,26 4.751,27 4.996,28 3.926,29 4.003,30 5.733,31 3.93,32 4.659,33 4.889,34 3.796,35 3.949,36 5.598,37 3.867,38 4.601,39 4.82,40 3.773,41 3.912,42 5.57,43 3.832,44 4.632,45 4.869,46 3.664,47 3.868,48 5.569,49 3.761,50 4.615,51 4.904,52 3.368,53 3.716,54 5.448,55 3.557,56 0.058,57 0.753,58 9.421,59 3.73,60 9.318,61 5.207,62 0.184,63 1.239,64 17.966,65 6.552,66 17.208,67 9.376,68 0.184,69 1.451,70 24.158,71 8.348,72 22.063,73 12.363,74 0.347,75 1.472,76 25.561,77 8.23,78 35.877,79 12.259,80 0.214,81 1.346,82 22.714,83 7.4,84 28.235,85 11.006,86 0.197,87 1.287,88 21.049,89 7.153,90 25.519,91 10.516,92 0.199,93 1.277,94 22.293,95 7.539,96 27.741,97 11.2,98 0.3,99 1.146,100 23.72,101 7.766,102 33.013,103 11.711,104 5,105 43,106 0.244,107 0.629,108 0.765,109 0.825,110 0.832,111 0.832,112 3.269,113 0.907,114 -4.99,115 -4.9,116 -4.59,118 42.2,120 4,123 1,126 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,156 1,158 1,159 1,160 1,161 1,167 8,170 2,171 10,172 1,173 1,175 1,178 9,180 1,181 1,182 9,188 6,191 2,192 11,194 3,195 3,197 1,199 5,201 1,204 9,208 2,211 5,213 2,214 1,215 8,220 4,223 6,225 4,227 1,228 4,233 3,235 8,237 3,239 2,242 1,243 1,247 6,252 2,260 2,264 857,265 17.292,266 17.292,267 17.292,268 17.292,269 17.292,270 15.003,271 12.649,272 9.951,273 17.643,274 14.325,275 14.325,276 14.325,277 14.325,278 14.325,279 10.813,280 10,281 4.705,282 14.898,283 4.059,284 1.79,285 0.995,286 0.639,287 0.595,288 0.595,289 3.981,292 1,293 1,294 1,295 493,296 2.236,299 146.636,300 108.847,303 169.241,307 1.238,308 15.425,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 53,320 217,321 4.768,322 3.39,323 7.051,324 4.314,325 3.35,326 4.742,328 12.148,329 3.232,330 4.522,331 3.085,332 6.498,333 4.021,334 3.055,335 4.477,337 10.126,338 2.954,339 3.926,340 2.791,341 6.232,342 3.663,343 2.696,344 3.367,346 9.187,347 2.604,348 3.796,349 2.474,350 5.793,351 3.397,352 2.434,353 3.212,355 7.774,356 2.342,357 3.252,358 2.045,359 5.082,360 2.951,361 1.998,362 2.559,364 5.692,365 1.9,366 3.229,367 1.871,368 4.954,369 2.757,370 1.808,371 2.365,373 5.387,374 1.713,375 3.046,376 1.548,377 4.424,378 2.516,379 1.547,380 2.317,382 4.08,383 1.495,384 2.805,385 1.423,386 4.235,387 2.323,388 1.366,389 1.941,391 3.543,392 1.304,393 2.634,394 1.346,395 4.112,396 2.279,397 1.32,398 1.676,400 3.494,401 1.262,402 2.42,403 1.01,404 3.66,405 1.944,406 0.996,407 1.392,409 2.532,410 0.941,411 2.085,412 0.706,413 3.25,414 1.67,415 0.688,416 0.905,417 1.743,418 0.675,419 1.852,420 0.645,421 3.206,422 1.618,423 0.618,424 0.769,425 1.455,426 0.618,427 1.618,428 0.618,429 3,430 1.588,431 0.608,432 0.618,433 1.372,434 0.595,435 1.064,436 -0.141,437 2.688,438 0.645,439 -0.277,440 -0.35,441 -0.653,442 -0.254,443 0.922,444 -0.347,445 2.461,446 0.508,447 -0.449,448 -0.581,449 -1.103,450 -0.429,451 11.9,452 0.476,453 0.624,454 0.025,455 33.75,456 1.35,457 16.5,458 0.66,459 17.25,460 0.69,461 20.036,462 0.801,463 25.9,464 0.576,465 22.942,466 0.918,467 6.15,468 0.246,469 6.071,470 0.243,471 0.076,473 0.403,478 0.892,479 1.294,480 0.775,481 1.025,482 0.975,483 0.909,484 0.906,485 1.052,486 0.81,487 0.91,488 0.566,489 0.858,490 0.968,491 1.187,492 0.901,493 1.038,494 0.699,495 0.975,496 1.026,497 0.905,498 0.919,499 0.869,500 0.959,501 0.879,502 1.315,503 1.075,504 1.099,505 1.001,506 1.201,507 1.018,508 1.182,509 1.131,510 1.1,511 1.085,512 1.396,513 1.082,514 1.112,515 1.193,516 1.155,517 1.193,518 1.474,519 1.182,520 0.96,521 0.829,522 1.093,523 0.995,524 1.291,525 1.05,526 4,527 0.045,528 3.333,529 2.236,530 1.562,531 0.803,532 0.525,533 0.358,534 0.26,535 0.111,536 7026,537 15124,538 2.225,539 44.4,540 4,541 8,542 1,543 1,544 2,546 4,549 1.686,550 2.113,551 3.107,552 0.273,554 1,558 64.474,559 1.433,560 3.702,561 4.497,562 4.853,563 4.897,564 4.897,565 2.504,566 4.054,567 4.616,568 3.228,569 968.256,570 8.015,571 11148.6,573 1,575 1,576 247.133,577 1.311,578 4.59,579 0.138,580 0.006,581 0.078,582 0.053,583 0.038,584 0.022,585 0.015,586 0.012,587 0.012,588 0.008,589 0.383,590 0.33,591 0.88,592 0.477,593 117.315,594 0.057,595 -0.106,596 0.08,597 -0.017,598 -0.034,599 0.025,600 0.109,601 0.062,602 0.101,603 0.076,604 0.201,605 0.086,606 0.008,607 -0.167,608 0.051,609 -0.056,610 0.139,611 -0.007,612 0.116,613 0.123,614 0.064,615 0.077,616 0.121,617 0.066,618 -0.239,619 -0.032,620 -0.141,621 -0.041,622 -0.175,623 -0.072,624 -0.145,625 -0.078,626 -0.156,627 -0.116,628 -0.193,629 -0.134,630 -0.108,631 -0.187,632 -0.195,633 -0.224,634 -0.227,635 -0.221,636 0.03,637 0.084,638 -0.078,639 -0.028,640 -0.133,641 -0.06,642 1.169,643 2.215,644 0.92,645 18.851,646 0.995,647 1.131,648 3.764,649 14.165,650 0.675,651 3.401,652 3.784,653 4.159,654 4.511,655 4.727,656 4.927,657 5.136,658 5.323,659 5.416,660 5.489,661 5.255,662 0.64,663 332.45,664 3.401,665 4.977,666 5.878,667 6.797,668 7.715,669 8.641,670 9.565,671 10.495,672 11.423,673 12.354,674 13.3,678 1,682 2,684 3,689 4,690 6,691 3,695 3,696 2,697 20,708 1,716 45,718 20,719 1,720 29,722 49,723 19,724 13,725 3,726 3,728 5,729 7,735 5,738 5,740 13,741 6,756 1,757 1,760 20,761 4,762 2,763 6,769 6,775 0.6,785 1,788 1,789 1,793 3,794 2,797 2,819 3,823 1,827 25,828 1,833 4,837 1,858 11.833,859 8.417,860 5.306,861 2.875,863 4.005,864 1.51,865 1.064,866 3.32,867 11.853,868 3.689,869 4.401,870 5.131,871 5.836,872 6.398,873 6.88,874 7.414,875 7.942,876 8.305,877 8.739,878 0.833,879 42,880 9.234,881 4.059,882 7.5,883 18.15,884 15.814,885 2,886 50,889 1,890 211.88,891 91.381,892 86.807,897 91.381,898 211.88,899 86.807,900 8.396,901 10.138,902 79.85,903 63.72,904 23.383,905 16.243,906 188.338,908 211.88,909 178.188,913 164.795,914 47.084,917 26.904,918 101.05,919 50.234,921 211.88,922 86.807,923 91.381,926 211.88,927 27.414,928 67.643,930 83.131,931 211.88,932 86.807,933 91.381,935 0.594,936 0.366,937 0.212,938 0.108,939 25,940 10,941 0.041,942 2,943 2,944 1.174,945 3.681,946 232.065,947 0.174,948 23,949 112.096,954 14.912,955 5.566,956 2.262,957 4.11,958 83.131,959 12.133,960 13.657,964 2.435,965 4.191,966 32.897,967 390.068,968 39,980 44.796,981 50.896,983 0.261,984 0.674,985 0.819,986 0.884,987 0.892,988 0.892,989 4.949,990 1.366,991 5.883,992 4.08,993 4.466,994 5.088,996 6.774,997 4.392,998 6.191,999 1.32,1000 7.487,1001 3.543,1002 4.111,1003 5.047,1005 7.813,1006 3.992,1007 7.535,1008 0.996,1009 9.194,1010 3.494,1011 6.129,1012 7.452,1014 10.982,1015 5.985,1016 8.924,1017 0.688,1018 10.962,1019 2.532,1020 6.648,1021 8.307,1023 12.88,1024 6.463,1025 10.349,1026 0.618,1027 12.769,1028 1.743,1029 8.117,1030 10.168,1032 15.564,1033 7.905,1034 11.801,1035 0.608,1036 14.603,1037 1.455,1038 9.014,1039 11.414,1041 17.8,1042 8.763,1043 13.273,1044 -0.277,1045 16.457,1046 1.372,1047 10.288,1048 13.072,1050 20.333,1051 10.006,1052 3.35,1053 -0.449,1054 18.326,1055 -0.653,1056 11.348,1057 14.488,1059 22.709,1060 11.028,1061 3.055,1062 12.148,1063 20.206,1064 -1.103,1065 12.555,1066 16.07,1068 25.198,1069 12.202,1070 2.696,1071 10.126,1072 22.095,1073 4.742,1074 13.685,1075 17.557,1077 27.633,1078 13.295,1079 2.434,1080 9.187,1081 23.991,1082 4.477,1083 14.872,1084 19.111,1086 30.113,1087 14.448,1088 1.998,1089 7.774,1090 25.894,1091 3.367,1092 16.033,1093 20.628,1095 32.576,1096 15.573,1097 1.808,1098 5.692,1099 27.802,1100 3.212,1101 17.218,1102 22.172,1104 35.058,1105 16.722,1106 1.547,1107 5.387,1108 29.714,1109 2.559,1110 18.394,1111 23.703,1113 37.535,1114 17.862,1115 6438,1116 9598,1117 19.997,1118 30.364,1119 44.939,1120 44.827,1121 45.89,1122 45.067,1123 44.969,1124 60.683,1126 137.067,1127 43.269,1128 5.67,1129 5.39,1130 6.646,1131 5.389,1132 5.35,1133 7.742,1135 19.691,1136 5.232,1137 8.823,1138 1.55,1139 1.546,1140 1.582,1141 1.554,1142 1.551,1143 2.093,1145 4.726,1146 1.492,1147 4.188,1148 4.229,1149 4.16,1150 4.084,1151 5.257,1152 4.095,1153 4.045,1154 4.093,1155 4.01,1156 3.897,1157 4.946,1158 3.92,1159 3.795,1160 3.853,1161 3.668,1162 3.679,1163 4.834,1164 3.67,1165 3.465,1166 3.527,1167 3.389,1168 3.316,1169 4.513,1170 3.325,1171 3.243,1172 3.338,1173 3.157,1174 2.966,1175 4.259,1176 3.002,1177 3.079,1178 3.159,1179 2.91,1180 2.925,1181 4.12,1182 2.913,1183 2.994,1184 3.094,1185 2.88,1186 2.766,1187 3.839,1188 2.777,1189 2.869,1190 2.979,1191 2.611,1192 2.671,1193 3.69,1194 2.635,1195 0.164,1196 0.117,1197 0.243,1198 0.149,1199 0.116,1200 4.768,1201 0.164,1202 3.39,1204 7.051,1205 0.419,1206 4.314,1207 0.111,1208 3.35,1209 4.742,1211 12.148,1212 3.232,1213 1.97,1214 1.95,1215 2.039,1216 2.054,1217 1.244,1218 2.048,1219 1.804,1220 1.759,1221 1.894,1222 1.996,1223 1.211,1224 1.967,1225 1.606,1226 1.544,1227 1.86,1228 1.82,1229 1.201,1230 1.811,1231 1.577,1232 1.507,1233 1.782,1234 1.751,1235 0.896,1236 1.793,1237 1.56,1238 1.498,1239 1.743,1240 1.749,1241 0.82,1242 1.755,1243 1.211,1244 1.158,1245 1.424,1246 1.4,1247 0.486,1248 1.396,1249 1.026,1250 0.941,1251 1.245,1252 1.295,1253 0.297,1254 1.31,1255 0.86,1256 0.768,1257 1.141,1258 1.186,1259 0.104,1260 1.186,1261 4.078,1263 5.442,1264 3.434,1265 7,1266 5.778,1267 8.65,1268 7.874,1269 10.351,1271 2.054,1275 6.215,1277 4.797,1281 0.408,1289 28.816,1290 64.474,1291 166.604,1292 202.379,1293 218.379,1294 220.379,1295 220.379,1296 29.368,1297 7.848,1298 74.55,1299 74.55,1300 27,1301 12.856,1302 4.392,1303 3.459,1304 31.878,1305 77,1306 82,1307 0.203,1308 173.405,1309 276.74,1310 414.867,1311 25830,1313 16.966,1314 0.679,1315 0.567,1316 16.966,1317 14.183,1318 12.22,1319 0.421,1320 0.302,1321 8.654,1322 11.798,1323 8.464,1324 6.999,1325 12.22,1326 8.763,1327 11.309,1328 0.263,1329 0.16,1330 11.309,1331 6.889,1332 10.353,1333 0.164,1334 0.085,1335 10.353,1336 5.347,1337 9.287,1338 0.103,1339 0.045,1340 9.287,1341 4.03,1342 7.168,1343 0.064,1344 0.021,1345 7.168,1346 2.383,1347 0.306,1348 76.124,1349 0.224,1350 23.595,1351 0.6,1352 144,1353 345.538,1354 155.518,1355 345.125,1356 499.23,1357 326,1358 178,1359 400.11,1360 191.627,1361 406.6,1362 604.54,1363 384,1364 5.658}
{0 CHEMBL1242386,1 1.511,2 7.364,3 2.07,4 4.284,5 86.578,6 7.929,7 0.8,8 3.758,9 3.9,10 3.391,11 3.27,12 4.928,13 3.277,14 4.252,15 4.435,16 3.78,17 3.669,18 5.352,19 3.666,20 4.423,21 4.625,22 3.805,23 3.762,24 5.505,25 3.738,26 4.524,27 4.761,28 3.778,29 3.771,30 5.61,31 3.725,32 4.413,33 4.636,34 3.594,35 3.697,36 5.423,37 3.632,38 4.351,39 4.556,40 3.583,41 3.651,42 5.461,43 3.587,44 4.458,45 4.729,46 3.333,47 3.557,48 5.439,49 3.436,50 4.276,51 4.6,52 3.01,53 3.244,54 5.157,55 3.074,56 0.093,57 0.654,58 6.959,59 2.72,60 9.67,61 3.657,62 0.175,63 1.011,64 12.906,65 4.568,66 16.577,67 6.44,68 0.194,69 1.14,70 15.971,71 5.188,72 17.69,73 7.509,74 0.347,75 1.182,76 19.261,77 5.873,78 32.651,79 8.641,80 0.221,81 1.057,82 16.572,83 5.273,84 22.126,85 7.661,86 0.185,87 1.02,88 14.739,89 5.174,90 23.147,91 7.375,92 0.3,93 0.977,94 19.418,95 5.766,96 35.093,97 8.751,98 0.316,99 0.721,100 18.456,101 5.788,102 32.135,103 8.978,104 11,105 37,106 0.268,107 0.689,108 0.807,109 0.83,110 0.83,111 0.83,112 3.149,113 0.849,114 -4.08,115 -4.03,116 -3.82,118 40.5,119 2,126 1,138 3,139 3,141 1,142 1,143 1,144 1,148 1,156 1,158 1,159 1,160 1,161 1,163 1,167 4,170 2,171 8,172 1,173 1,175 3,178 6,180 1,181 1,182 7,186 2,188 4,191 2,192 10,194 3,195 3,197 2,199 4,201 1,204 6,208 2,211 2,213 2,214 1,215 7,218 1,220 5,223 4,225 4,227 1,231 1,235 4,239 2,242 1,243 3,244 1,246 1,252 2,257 2,264 596,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.687,271 9.487,272 8.559,273 15.256,274 12.338,275 12.338,276 12.338,277 12.338,278 12.338,279 8.888,280 7.5,281 4.022,282 12.856,283 3.699,284 1.318,285 0.656,286 0.527,287 0.527,288 0.527,289 3.844,292 1,293 1,294 1,295 358,296 2.646,299 81.99,300 94.212,303 147.247,307 1.091,308 15.837,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47.5,320 162,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.222,330 4.414,331 2.939,332 6.253,333 3.91,334 2.93,335 4.353,337 9.393,338 2.868,339 3.852,340 2.666,341 6.073,342 3.514,343 2.557,344 3.301,346 8.572,347 2.445,348 3.746,349 2.404,350 5.713,351 3.331,352 2.37,353 3.179,355 7.457,356 2.275,357 3.056,358 1.822,359 4.82,360 2.685,361 1.743,362 2.328,364 4.819,365 1.638,366 3.034,367 1.55,368 4.518,369 2.519,370 1.55,371 2.3,373 4.378,374 1.508,375 3.009,376 1.533,377 4.333,378 2.49,379 1.533,380 2.133,382 4.044,383 1.455,384 2.636,385 1.155,386 3.864,387 2.102,388 1.153,389 1.7,391 2.795,392 1.091,393 2.47,394 1,395 3.509,396 1.962,397 1,398 1.457,400 2.398,401 0.959,402 2.133,403 0.837,404 3.419,405 1.767,406 0.806,407 1.036,409 2.014,410 0.773,411 1.885,412 0.401,413 3.036,414 1.364,415 0.396,416 0.588,417 0.984,418 0.383,419 1.061,420 -0.155,421 2.652,422 0.628,423 -0.288,424 -0.367,425 -0.673,426 -0.263,427 0.846,428 -0.59,429 2.424,430 0.387,431 -0.59,432 -0.818,433 -1.644,434 -0.575,435 0.628,436 -0.797,437 2.259,438 0.113,439 -0.841,440 -1,441 -2,442 -0.792,443 0.545,444 -0.907,445 2.206,446 0.041,447 -0.922,448 -1.149,449 -2.365,450 -0.895,451 10.3,452 0.468,453 0.61,454 0.028,455 31.5,456 1.432,457 16.5,458 0.75,459 15,460 0.682,461 15.714,462 0.714,463 22.7,464 0.614,465 21.027,466 0.956,467 6.051,468 0.275,469 4.597,470 0.209,471 0.136,473 0.427,478 0.866,479 1.193,480 0.733,481 0.96,482 1.057,483 0.847,484 0.834,485 1.114,486 0.676,487 0.875,488 0.648,489 0.77,490 1.104,491 1.227,492 0.91,493 1.013,494 0.804,495 0.943,496 1.005,497 0.901,498 0.945,499 0.885,500 0.984,501 0.901,502 1.244,503 1.082,504 1.159,505 1.064,506 1.064,507 1.091,508 1.002,509 1.27,510 1.17,511 1.323,512 1.178,513 1.284,514 1.095,515 0.986,516 1.213,517 1.129,518 1.539,519 1.181,520 0.356,521 0.623,522 0.77,523 0.892,524 0.527,525 0.901,526 4,528 2.889,529 1.986,530 1.682,531 0.747,532 0.484,533 0.336,534 0.173,535 0.056,536 4631,537 12207,538 2.148,539 40.5,541 4,543 2,544 3,546 6,549 1.652,550 2,551 2.918,552 1.114,553 1,554 1,556 1,558 55.892,559 1.511,560 3.891,561 4.554,562 4.682,563 4.682,564 4.682,565 2.244,566 4.096,567 4.433,568 3.039,569 701.894,570 7.649,571 7411.73,572 1,573 1,575 1,576 192.75,577 1.437,578 4.388,579 0.16,581 0.078,582 0.054,583 0.048,584 0.026,585 0.017,586 0.017,587 0.012,588 0.009,589 0.421,590 0.67,591 1,592 0.797,593 98.122,594 0.052,595 0.006,596 0.055,597 0.026,598 -0.159,599 0.039,600 0.103,601 -0.007,602 0.191,603 0.11,604 0.147,605 0.156,606 -0.132,607 -0.16,608 -0.013,609 -0.045,610 0.017,611 -0.014,612 0.04,613 0.111,614 0.016,615 0.065,616 0.055,617 0.041,618 -0.294,619 -0.059,620 -0.234,621 -0.09,622 -0.17,623 -0.141,624 -0.092,625 -0.224,626 -0.278,627 -0.341,628 -0.1,629 -0.342,630 -0.111,631 -0.077,632 -0.195,633 -0.163,634 -0.336,635 -0.188,636 0.517,637 0.138,638 0.354,639 0.13,640 0.431,641 0.199,642 1.223,643 2.078,644 0.818,645 14.281,646 1.007,647 1.139,648 2.854,649 8.145,650 0.678,651 3.258,652 3.638,653 3.989,654 4.331,655 4.564,656 4.718,657 4.844,658 4.997,659 5.011,660 5.063,661 4.727,662 0.656,663 293.37,664 3.258,665 4.828,666 5.72,667 6.637,668 7.55,669 8.473,670 9.393,671 10.318,672 11.241,673 12.168,674 18.9,678 1,682 2,684 4,689 4,690 5,691 4,692 1,695 3,696 1,697 20,708 1,716 37,718 20,719 1,720 25,722 40,723 15,724 12,725 3,726 3,728 4,729 6,732 2,738 1,740 12,741 3,756 1,757 1,760 15,761 5,762 3,763 7,769 7,775 0.5,785 2,788 1,793 2,794 2,797 2,819 2,823 2,827 22,828 1,837 1,858 11,859 7.333,860 4.694,861 2.209,863 4.036,864 1.548,865 1.045,866 2.876,867 11.394,868 3.584,869 4.311,870 5.047,871 5.756,872 6.317,873 6.781,874 7.281,875 7.804,876 8.115,877 8.545,878 0.8,879 37,880 8.059,881 3.479,882 7.659,883 15.387,884 12.84,885 2.159,886 47.5,890 141.253,891 81.021,892 118.234,897 81.021,898 141.253,899 118.234,900 17.65,902 61.326,903 92.155,904 47.194,905 4.472,906 117.711,908 141.253,909 199.255,913 70.627,914 70.627,917 58.228,918 74.129,919 66.897,921 141.253,922 118.234,923 81.021,926 141.253,927 17.276,928 65.522,929 16.663,930 99.794,931 141.253,932 118.234,933 81.021,935 0.595,936 0.361,937 0.208,938 0.113,939 21,940 9,941 0.05,942 2,943 2,944 1.222,945 3.351,946 189.252,947 0.222,948 18,949 96.107,954 13.225,955 4.784,956 1.994,957 3.56,958 99.794,959 9.288,960 17.23,961 2.945,964 2.212,965 1.877,966 49.56,967 340.508,968 35,980 37.247,981 42.149,983 0.29,984 0.747,985 0.874,986 0.899,987 0.899,988 0.899,989 4.828,990 1.153,991 5.733,992 4.044,993 4.317,994 4.997,996 6.621,997 4.242,998 6.086,999 1,1000 7.339,1001 2.795,1002 4.007,1003 4.956,1005 7.667,1006 3.908,1007 7.431,1008 0.806,1009 9.047,1010 2.398,1011 5.979,1012 7.379,1014 10.823,1015 5.837,1016 8.82,1017 0.396,1018 10.814,1019 2.014,1020 6.509,1021 8.216,1023 12.718,1024 6.342,1025 10.245,1026 -0.288,1027 12.62,1028 0.984,1029 7.965,1030 10.091,1032 15.4,1033 7.762,1034 11.695,1035 -0.59,1036 14.452,1037 -0.673,1038 8.862,1039 11.321,1041 17.638,1042 8.63,1043 13.165,1044 -0.841,1045 16.304,1046 -1.644,1047 10.131,1048 12.984,1050 20.174,1051 9.865,1052 3.339,1053 -0.922,1054 18.171,1055 -2,1056 11.189,1057 14.388,1059 22.556,1060 10.891,1061 2.93,1062 12.088,1063 20.049,1064 -2.365,1065 12.395,1066 15.97,1068 25.05,1069 12.063,1070 2.557,1071 9.393,1072 21.937,1073 4.737,1074 13.524,1075 17.449,1077 27.492,1078 13.157,1079 2.37,1080 8.572,1081 23.832,1082 4.353,1083 14.711,1084 19.001,1086 29.977,1087 14.31,1088 1.743,1089 7.457,1090 25.735,1091 3.301,1092 15.873,1093 20.513,1095 32.445,1096 15.437,1097 1.55,1098 4.819,1099 27.643,1100 3.179,1101 17.058,1102 22.055,1104 34.93,1105 16.587,1106 1.533,1107 4.378,1108 29.556,1109 2.328,1110 18.236,1111 23.583,1113 37.411,1114 17.728,1115 4398,1116 7270,1117 16.819,1118 25.086,1119 39.193,1120 38.662,1121 40.034,1122 38.772,1123 38.753,1124 54.225,1126 117.881,1127 37.231,1128 5.437,1129 5.376,1130 6.567,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.222,1137 9.728,1138 1.568,1139 1.546,1140 1.601,1141 1.551,1142 1.55,1143 2.169,1145 4.715,1146 1.489,1147 4.167,1148 4.211,1149 4.145,1150 4.05,1151 5.26,1152 4.066,1153 4.01,1154 4.063,1155 3.98,1156 3.849,1157 5.087,1158 3.877,1159 3.578,1160 3.655,1161 3.445,1162 3.41,1163 4.859,1164 3.402,1165 3.384,1166 3.451,1167 3.321,1168 3.195,1169 4.532,1170 3.22,1171 3.115,1172 3.213,1173 3,1174 2.902,1175 4.311,1176 2.913,1177 2.99,1178 3.091,1179 2.869,1180 2.738,1181 4.042,1182 2.763,1183 2.903,1184 3.009,1185 2.781,1186 2.66,1187 3.763,1188 2.689,1189 2.874,1190 2.98,1191 2.499,1192 2.618,1193 3.664,1194 2.57,1195 0.19,1196 0.135,1197 0.282,1198 0.172,1199 0.134,1200 4.762,1201 0.189,1202 3.376,1204 7.039,1205 0.484,1206 4.303,1207 0.129,1208 3.339,1209 4.737,1211 12.088,1212 3.222,1213 1.966,1214 1.946,1215 2.035,1216 2.05,1217 1.191,1218 2.043,1219 1.808,1220 1.76,1221 1.947,1222 2.003,1223 1.142,1224 1.983,1225 1.62,1226 1.555,1227 1.78,1228 1.823,1229 0.863,1230 1.821,1231 1.311,1232 1.23,1233 1.465,1234 1.639,1235 0.469,1236 1.593,1237 1.186,1238 1.132,1239 1.417,1240 1.412,1241 0.408,1242 1.387,1243 0.934,1244 0.822,1245 1.293,1246 1.244,1247 0.352,1248 1.308,1249 0.917,1250 0.804,1251 1.179,1252 1.239,1253 0.064,1254 1.236,1255 0.784,1256 0.709,1257 1.049,1258 1.096,1259 0.024,1260 1.089,1261 3.932,1263 5.293,1264 3.045,1265 6.851,1266 5.416,1267 8.502,1268 7.554,1269 10.204,1271 4.127,1275 6.078,1281 0.184,1289 24.257,1290 55.892,1291 143.979,1292 168.485,1293 173.24,1294 173.24,1295 173.24,1296 25.712,1297 7.358,1298 98.3,1299 98.3,1300 22,1301 12.673,1302 4.392,1303 3.459,1304 29.673,1305 61,1306 56,1307 0.243,1308 149.223,1309 230.9,1310 355.864,1311 14040,1313 15.267,1314 0.694,1315 0.558,1316 15.267,1317 12.278,1318 10.648,1319 0.426,1320 0.283,1321 6.961,1322 10.184,1323 6.755,1324 5.642,1325 10.648,1326 7.071,1327 9.981,1328 0.27,1329 0.149,1330 9.981,1331 5.516,1332 8.729,1333 0.165,1334 0.07,1335 8.729,1336 3.721,1337 7.769,1338 0.104,1339 0.035,1340 7.769,1341 2.648,1342 6.227,1343 0.066,1344 0.019,1345 6.227,1346 1.773,1347 0.361,1348 66.984,1349 0.244,1350 21.001,1351 0.729,1352 124,1353 339.871,1354 136.545,1355 338.575,1356 483.73,1357 318,1358 152,1359 386.392,1360 166.21,1361 390.972,1362 575.98,1363 368,1364 5.638}
{0 CHEMBL1242468,1 1.766,2 7.773,3 1.186,4 1.408,5 81.675,6 8.172,7 0.667,8 3.752,9 3.888,10 3.371,11 3.208,12 5.025,13 3.234,14 4.223,15 4.398,16 3.76,17 3.587,18 5.458,19 3.603,20 4.465,21 4.665,22 3.882,23 3.698,24 5.822,25 3.71,26 4.545,27 4.772,28 3.814,29 3.717,30 5.789,31 3.703,32 4.488,33 4.716,34 3.69,35 3.692,36 5.629,37 3.65,38 4.412,39 4.61,40 3.666,41 3.636,42 5.668,43 3.597,44 4.498,45 4.752,46 3.473,47 3.514,48 5.79,49 3.424,50 4.359,51 4.667,52 3.044,53 3.15,54 5.618,55 3.019,56 0.16,57 0.673,58 6.811,59 2.742,60 19.818,61 3.467,62 0.268,63 1.027,64 12.214,65 4.598,66 29.313,67 6.117,68 0.534,69 1.193,70 17.408,71 5.338,72 62.605,73 7.377,74 0.59,75 1.191,76 19.843,77 5.638,78 65.788,79 7.843,80 0.458,81 1.079,82 18.326,83 5.401,84 47.068,85 8.072,86 0.389,87 1.062,88 15.516,89 5.167,90 39.318,91 7.432,92 0.593,93 0.984,94 20.16,95 5.819,96 69.474,97 8.711,98 0.637,99 0.737,100 21.183,101 5.194,102 89.922,103 8.134,104 28,105 35,106 0.318,107 0.752,108 0.862,109 0.886,110 0.886,111 0.886,112 3.149,113 0.838,114 -3.76,115 -3.72,116 -3.54,118 37.8,119 1,124 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 2,159 2,160 2,161 1,167 3,170 2,171 6,172 1,173 1,175 2,178 3,180 1,181 1,182 4,183 1,184 1,186 3,188 3,190 1,191 2,192 6,194 4,195 4,197 2,199 2,201 1,204 5,205 1,206 2,208 4,211 1,213 3,215 3,218 1,220 3,223 2,225 3,230 1,231 3,232 2,233 2,234 3,235 1,237 2,238 1,245 2,249 1,256 1,259 1,264 608,265 14.646,266 14.646,267 14.646,268 14.646,269 14.646,270 12.71,271 11.565,272 8.322,273 14.995,274 11.722,275 11.722,276 11.722,277 11.722,278 11.722,279 8.795,280 7.997,281 3.816,282 12.347,283 3.444,284 1.034,285 0.419,286 0.291,287 0.291,288 0.291,289 3.821,293 1,294 1,295 359,296 2.828,299 42.576,300 113.692,303 81.322,307 1.087,308 32.293,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 49.5,320 171,321 4.761,322 3.387,323 7.044,324 4.304,325 3.341,326 4.732,328 12.109,329 3.22,330 4.217,331 3.163,332 6.209,333 3.787,334 2.832,335 3.88,337 9.083,338 2.7,339 3.836,340 2.729,341 5.947,342 3.524,343 2.573,344 3.225,346 8.175,347 2.441,348 3.679,349 2.45,350 5.667,351 3.27,352 2.322,353 3.085,355 7.27,356 2.187,357 3.089,358 1.917,359 4.927,360 2.765,361 1.824,362 2.253,364 5.132,365 1.712,366 2.992,367 1.861,368 4.469,369 2.447,370 1.509,371 2.188,373 4.128,374 1.41,375 2.82,376 1.531,377 4.047,378 2.365,379 1.414,380 1.948,382 3.513,383 1.333,384 2.542,385 1.144,386 4.023,387 2.046,388 1.095,389 1.559,391 2.94,392 1.039,393 2.26,394 1.054,395 3.595,396 1.873,397 0.936,398 1.196,400 2.287,401 0.873,402 1.372,403 0.591,404 2.736,405 1.105,406 0.172,407 0.181,409 0.257,410 0.16,411 1.228,412 0.392,413 2.576,414 0.987,415 0.098,416 0.118,417 0.198,418 0.085,419 1.039,420 -0.158,421 2.387,422 0.61,423 -0.302,424 -0.383,425 -0.695,426 -0.275,427 0.78,428 -0.29,429 2.373,430 0.353,431 -0.595,432 -0.77,433 -1.604,434 -0.555,435 0.609,436 -0.714,437 2.205,438 0.113,439 -0.82,440 -1.105,441 -2.254,442 -0.757,443 0.22,444 -0.868,445 2,446 -0.12,447 -1.059,448 -1.255,449 -2.822,450 -0.974,451 10.019,452 0.455,453 0.648,454 0.029,455 29.75,456 1.352,457 15,458 0.682,459 14.75,460 0.67,461 15.96,462 0.725,463 24.181,464 0.654,465 22.216,466 1.01,467 5.949,468 0.27,469 4.575,470 0.208,471 0.192,473 0.439,477 1,478 0.85,479 1.118,480 0.751,481 0.954,482 0.866,483 0.841,484 0.697,485 1.095,486 0.663,487 0.992,488 0.614,489 0.845,490 0.89,491 1.159,492 0.808,493 0.972,494 0.736,495 0.877,496 1.001,497 0.889,498 1.018,499 0.881,500 0.936,501 0.927,502 0.732,503 0.882,504 0.992,505 0.976,506 0.53,507 1.021,508 0.734,509 1.157,510 1.092,511 1.351,512 0.709,513 1.32,514 0.697,515 0.925,516 1.106,517 1.219,518 0.787,519 1.267,520 0.898,521 0.685,522 0.958,523 0.915,524 1.022,525 0.958,526 4.5,528 3.333,529 2.042,530 1.807,531 0.907,532 0.627,533 0.414,534 0.185,535 0.051,536 4133,537 14018,538 2.017,539 40.5,541 6,543 1,544 5,546 3,549 1.654,550 1.833,551 2.953,552 2.824,553 1,554 1,556 1,558 65.334,559 1.766,560 4.175,561 4.79,562 4.919,563 4.919,564 4.919,565 2.392,566 4.459,567 4.43,568 3.047,569 703.914,570 7.655,571 7464.11,572 1,573 1,576 192.75,577 1.544,578 4.36,579 0.188,581 0.095,582 0.054,583 0.052,584 0.029,585 0.022,586 0.02,587 0.015,588 0.01,589 0.484,590 0.33,591 1,592 1.094,593 98.203,594 -0.136,595 -0.02,596 -0.01,597 0.094,598 -0.181,599 0.085,600 0.012,601 -0.053,602 0.151,603 0.04,604 0.021,605 0.116,606 0.033,607 -0.122,608 0.095,609 0.013,610 0.128,611 0.066,612 -0.105,613 0.108,614 -0.089,615 0.051,616 -0.108,617 -0.001,618 -0.078,619 -0.032,620 -0.102,621 -0.024,622 -0.001,623 -0.053,624 -0.016,625 -0.204,626 -0.241,627 -0.362,628 -0.033,629 -0.363,630 0.148,631 -0.075,632 -0.121,633 -0.275,634 0.063,635 -0.278,636 0.164,637 0.068,638 0.192,639 0.025,640 0.109,641 0.096,642 2.368,643 5.254,644 0.682,645 15.364,646 1.023,647 1.152,648 2.528,649 6.393,650 0.655,651 3.219,652 3.584,653 3.912,654 4.205,655 4.477,656 4.615,657 4.71,658 4.787,659 4.736,660 4.615,661 4.739,662 0.645,663 302.35,664 3.219,665 4.779,666 5.659,667 6.567,668 7.474,669 8.391,670 9.308,671 10.23,672 11.151,673 12.075,674 16.2,675 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 37,718 16,719 1,720 24,722 39,723 14,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,758 1,760 15,761 7,762 5,763 8,769 6,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,813 1,819 2,823 1,825 1,827 22,828 2,832 1,833 1,837 1,849 1,850 2.7,852 1,858 12,859 6.726,860 4.861,861 2.033,863 3.124,864 1.45,865 0.975,866 3.685,867 10.069,868 3.497,869 4.186,870 4.874,871 5.543,872 6.137,873 6.548,874 6.983,875 7.424,876 7.67,877 7.911,878 1,879 38,880 8.108,881 3.55,882 8.114,883 14.841,884 12.122,885 2.614,886 57.5,890 117.711,891 69.658,892 117.805,894 42.683,895 14.96,897 69.658,898 160.394,899 132.765,900 8.825,901 35.003,902 61.326,903 106.404,904 28.031,905 17.288,906 105.94,908 117.711,909 187.463,910 57.643,913 97.358,914 77.997,917 58.695,918 78.533,919 50.234,921 132.671,922 160.488,923 69.658,926 117.711,927 23.785,928 47.649,930 173.672,931 117.711,932 175.448,933 69.658,935 0.592,936 0.365,937 0.193,938 0.113,939 18,940 9,941 0.077,942 3,943 1,944 1.133,945 3.229,946 181.498,947 0.133,948 15,949 98.107,954 14.693,955 5.517,956 2.42,957 1.095,958 173.672,959 5.328,960 12.674,964 0.103,965 1.656,966 108.478,967 362.817,968 32,980 37.869,981 42.615,983 0.339,984 0.801,985 0.92,986 0.944,987 0.944,988 0.944,989 4.745,990 1.095,991 5.68,992 3.513,993 4.263,994 4.871,996 6.564,997 4.164,998 5.996,999 0.936,1000 7.292,1001 2.94,1002 4.007,1003 4.856,1005 7.621,1006 3.858,1007 7.34,1008 0.172,1009 9.005,1010 2.287,1011 5.927,1012 7.208,1014 10.768,1015 5.746,1016 8.726,1017 0.098,1018 10.775,1019 0.257,1020 6.479,1021 8.032,1023 12.66,1024 6.251,1025 10.144,1026 -0.302,1027 12.582,1028 0.198,1029 7.909,1030 9.882,1032 15.353,1033 7.654,1034 11.588,1035 -0.595,1036 14.414,1037 -0.695,1038 8.815,1039 11.096,1041 17.594,1042 8.517,1043 13.051,1044 -0.82,1045 16.265,1046 -1.604,1047 10.074,1048 12.752,1050 20.141,1051 9.747,1052 3.341,1053 -1.059,1054 18.131,1055 -2.254,1056 11.137,1057 14.148,1059 22.53,1060 10.77,1061 2.832,1062 12.109,1063 20.009,1064 -2.822,1065 12.34,1066 15.73,1068 25.033,1069 11.942,1070 2.573,1071 9.083,1072 21.898,1073 4.732,1074 13.472,1075 17.209,1077 27.483,1078 13.037,1079 2.322,1080 8.175,1081 23.794,1082 3.88,1083 14.661,1084 18.766,1086 29.975,1087 14.193,1088 1.824,1089 7.27,1090 25.698,1091 3.225,1092 15.826,1093 20.283,1095 32.449,1096 15.323,1097 1.509,1098 5.132,1099 27.609,1100 3.085,1101 17.014,1102 21.832,1104 34.94,1105 16.477,1106 1.414,1107 4.128,1108 29.525,1109 2.253,1110 18.196,1111 23.367,1113 37.425,1114 17.623,1115 4172,1116 7793,1117 15.433,1118 24.233,1119 36.468,1120 37.168,1121 39.356,1122 36.229,1123 36.236,1124 48.731,1126 110.184,1127 34.32,1128 5.486,1129 5.387,1130 6.587,1131 5.377,1132 5.341,1133 7.732,1135 19.605,1136 5.22,1137 12.74,1138 1.519,1139 1.549,1140 1.64,1141 1.51,1142 1.51,1143 2.03,1145 4.591,1146 1.43,1147 4.133,1148 4.181,1149 4.117,1150 3.992,1151 8.201,1152 4.016,1153 3.846,1154 3.873,1155 3.809,1156 3.729,1157 6.465,1158 3.745,1159 3.608,1160 3.687,1161 3.483,1162 3.425,1163 5.256,1164 3.425,1165 3.236,1166 3.327,1167 3.169,1168 2.987,1169 5.012,1170 3.024,1171 3.054,1172 3.168,1173 2.929,1174 2.748,1175 4.853,1176 2.771,1177 2.993,1178 3.111,1179 2.804,1180 2.745,1181 4.571,1182 2.747,1183 2.93,1184 2.971,1185 2.755,1186 2.682,1187 4.374,1188 2.689,1189 2.799,1190 2.868,1191 2.695,1192 2.585,1193 3.892,1194 2.604,1195 0.198,1196 0.141,1197 0.293,1198 0.179,1199 0.139,1200 4.761,1201 0.197,1202 3.387,1204 7.044,1205 0.505,1206 4.304,1207 0.134,1208 3.341,1209 4.732,1211 12.109,1212 3.22,1213 1.922,1214 1.903,1215 1.986,1216 2.04,1217 1.176,1218 2.018,1219 1.795,1220 1.746,1221 1.934,1222 1.987,1223 1.102,1224 1.972,1225 1.617,1226 1.554,1227 1.765,1228 1.826,1229 0.823,1230 1.818,1231 1.151,1232 1.09,1233 1.449,1234 1.472,1235 0.475,1236 1.448,1237 1.027,1238 0.902,1239 1.256,1240 1.348,1241 0.251,1242 1.36,1243 0.883,1244 0.839,1245 1.152,1246 1.231,1247 0.138,1248 1.209,1249 0.875,1250 0.781,1251 1.115,1252 1.135,1253 0.032,1254 1.13,1255 0.766,1256 0.67,1257 1.017,1258 1.076,1260 1.068,1261 3.892,1263 5.242,1264 2.398,1265 6.797,1266 4.844,1267 8.445,1268 7.081,1269 10.143,1271 1.899,1273 13.254,1275 11.645,1276 9.573,1277 0.37,1281 -0.098,1289 23.861,1290 65.334,1291 154.485,1292 177.24,1293 181.995,1294 181.995,1295 181.995,1296 44.647,1297 6.945,1298 115.87,1299 115.87,1300 17,1301 12.581,1302 4.087,1303 3.17,1304 34.119,1305 61,1306 64,1307 0.284,1308 148.351,1309 243.36,1310 353.738,1311 7880,1312 2.7,1313 15.853,1314 0.721,1315 0.539,1316 14.983,1317 11.863,1318 10.524,1319 0.439,1320 0.279,1321 6.569,1322 9.983,1323 6.442,1324 5.341,1325 10.113,1326 6.702,1327 9.626,1328 0.275,1329 0.143,1330 9.13,1331 5.002,1332 8.556,1333 0.175,1334 0.071,1335 7.894,1336 3.496,1337 6.809,1338 0.103,1339 0.034,1340 6.701,1341 2.265,1342 5.709,1343 0.066,1344 0.018,1345 5.509,1346 1.548,1347 0.42,1348 67.084,1349 0.255,1350 20.956,1351 0.861,1352 118,1353 417.466,1354 134.065,1355 381.836,1356 517.19,1357 354,1358 143,1359 388.079,1360 160.169,1361 384.849,1362 567.96,1363 362,1364 4}
{0 CHEMBL1242469,1 1.775,2 9,3 1.938,4 3.755,5 83.825,6 8.676,7 0.64,8 3.724,9 3.844,10 3.399,11 3.229,12 5.049,13 3.257,14 4.192,15 4.353,16 3.756,17 3.593,18 5.455,19 3.607,20 4.426,21 4.62,22 3.852,23 3.678,24 5.813,25 3.689,26 4.445,27 4.655,28 3.778,29 3.656,30 5.726,31 3.654,32 4.378,33 4.583,34 3.68,35 3.635,36 5.598,37 3.612,38 4.367,39 4.566,40 3.676,41 3.611,42 5.681,43 3.587,44 4.387,45 4.623,46 3.554,47 3.504,48 5.724,49 3.449,50 4.242,51 4.501,52 3.247,53 3.219,54 5.663,55 3.152,56 0.152,57 0.664,58 5.445,59 2.74,60 22.112,61 3.054,62 0.264,63 1.013,64 10.204,65 4.564,66 30.729,67 5.498,68 0.528,69 1.174,70 15.483,71 5.413,72 78.66,73 6.746,74 0.539,75 1.155,76 16.078,77 5.249,78 71.332,79 6.412,80 0.425,81 1.043,82 14.187,83 4.757,84 49.997,85 6.161,86 0.436,87 1.058,88 13.76,89 4.905,90 51.962,91 6.299,92 0.522,93 0.995,94 16.959,95 5.768,96 68.975,97 7.951,98 0.571,99 0.83,100 16.759,101 4.945,102 87.007,103 6.77,104 21,105 35,106 0.318,107 0.765,108 0.862,109 0.886,110 0.886,111 0.886,112 3.189,113 0.833,114 -3.93,115 -3.89,116 -3.69,118 41.7,120 2,124 1,138 3,139 2,140 2,142 1,143 1,144 1,153 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 7,172 1,173 1,175 2,178 3,180 1,181 1,182 6,186 2,188 3,191 2,192 7,194 3,195 3,197 2,199 2,201 1,203 1,204 6,206 1,208 3,211 2,213 2,214 1,215 3,218 1,220 2,223 3,225 2,227 1,228 2,231 2,232 1,233 1,234 1,235 3,237 1,240 1,245 1,247 1,251 1,252 2,254 1,255 1,257 1,264 736,265 15.56,266 15.56,267 15.56,268 15.56,269 15.56,270 13.393,271 12.618,272 9.29,273 15.911,274 12.293,275 12.293,276 12.293,277 12.293,278 12.293,279 8.991,280 8.395,281 4.358,282 12.914,283 3.395,284 0.896,285 0.354,286 0.222,287 0.222,288 0.222,289 3.868,292 1,293 1,294 1,295 435,296 2.828,299 46.153,300 121.883,303 87.896,307 1.304,308 34.092,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 51.5,320 207,321 4.745,322 4.037,323 7.001,324 4.28,325 3.314,326 4.723,327 2.308,328 11.956,329 3.201,330 4.211,331 3.351,332 6.081,333 3.768,334 2.814,335 3.878,337 8.746,338 2.677,339 3.72,340 3.154,341 5.801,342 3.321,343 2.377,344 3.141,346 7.69,347 2.233,348 3.67,349 2.516,350 5.567,351 3.249,352 2.306,353 3.081,355 7.04,356 2.168,357 3.494,358 2.429,359 4.501,360 2.669,361 1.697,362 2.238,364 4.256,365 1.648,366 3,367 1.872,368 4.467,369 2.448,370 1.512,371 2.11,373 4.076,374 1.412,375 2.82,376 1.818,377 4.038,378 2.365,379 1.414,380 1.948,382 3.512,383 1.333,384 2.813,385 1.539,386 3.723,387 2.287,388 1.336,389 1.86,391 2.997,392 1.266,393 2.493,394 1.467,395 3.544,396 1.959,397 1.027,398 1.467,400 2.51,401 0.953,402 2.21,403 1.081,404 2.859,405 1.615,406 0.652,407 0.889,409 1.148,410 0.626,411 1.374,412 0.636,413 2.736,414 0.991,415 0.105,416 0.127,417 0.23,418 0.09,419 1.206,420 0.552,421 2.415,422 0.737,423 -0.192,424 -0.25,425 -0.38,426 -0.178,427 1.007,428 -0.121,429 2.375,430 0.54,431 -0.387,432 -0.513,433 -0.782,434 -0.358,435 0.779,436 -0.282,437 2.24,438 0.352,439 -0.595,440 -0.773,441 -1.604,442 -0.555,443 0.602,444 -0.512,445 2.119,446 0.098,447 -0.84,448 -1.162,449 -2.046,450 -0.779,451 10.519,452 0.457,453 0.559,454 0.024,455 33.25,456 1.446,457 18,458 0.783,459 15.25,460 0.663,461 15.249,462 0.663,463 24.281,464 0.674,465 23.951,466 1.041,467 6.527,468 0.284,469 4.586,470 0.199,471 0.135,473 0.371,477 1,478 0.781,479 1.081,480 0.684,481 0.951,482 0.695,483 0.824,484 0.678,485 1.054,486 0.704,487 1.031,488 0.547,489 0.91,490 0.901,491 1.142,492 0.848,493 0.995,494 0.801,495 0.917,496 1.058,497 0.948,498 1.077,499 0.94,500 0.978,501 0.986,502 0.801,503 0.902,504 1.079,505 0.998,506 0.629,507 1.07,508 0.769,509 0.95,510 1.085,511 1.135,512 0.693,513 1.174,514 0.635,515 0.919,516 0.93,517 1.127,518 0.733,519 1.127,520 0.992,521 0.805,522 1.034,523 0.999,524 1.064,525 1.044,526 4,527 0.054,528 2.889,529 1.917,530 1.602,531 0.712,532 0.602,533 0.455,534 0.197,535 0.097,536 4960,537 18343,538 2.041,539 36.1,541 5,543 1,544 3,545 2,546 2,549 1.664,550 1.89,551 3.128,552 1.118,553 1,554 1,556 1,558 63.898,559 1.775,560 4.274,561 4.816,562 4.948,563 4.948,564 4.948,565 2.653,566 3.936,567 4.486,568 3.251,569 822.399,570 7.765,571 9108.91,572 1,573 1,575 1,576 186.117,577 1.478,578 4.443,579 0.16,580 0.011,581 0.083,582 0.052,583 0.047,584 0.023,585 0.02,586 0.018,587 0.012,588 0.01,589 0.435,590 0.33,591 1,592 1.422,593 105.788,594 -0.098,595 -0.048,596 -0.001,597 0.043,598 -0.078,599 0.048,600 0.017,601 -0.061,602 0.08,603 -0.043,604 0.025,605 0.017,606 0.018,607 -0.151,608 0.067,609 -0.024,610 0.055,611 0.03,612 -0.138,613 0.051,614 -0.153,615 -0.015,616 -0.152,617 -0.072,618 -0.122,619 -0.045,620 -0.209,621 -0.08,622 -0.056,623 -0.141,624 -0.018,625 -0.039,626 -0.208,627 -0.197,628 -0.028,629 -0.24,630 0.218,631 -0.071,632 0.096,633 -0.134,634 0.105,635 -0.08,636 0.129,637 0.053,638 0.117,639 0.007,640 0.079,641 0.036,642 2.379,643 5.263,644 0.652,645 18.957,646 1.027,647 1.144,648 2.704,649 7.309,650 0.68,651 3.258,652 3.584,653 3.892,654 4.19,655 4.454,656 4.575,657 4.7,658 4.82,659 4.804,660 4.691,661 5.27,662 0.676,663 312.34,664 3.258,665 4.796,666 5.659,667 6.553,668 7.447,669 8.354,670 9.262,671 10.177,672 11.091,673 12.009,674 16.7,678 1,682 1,683 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 36,718 17,719 1,720 25,722 38,723 15,724 11,725 3,726 3,728 3,729 4,738 2,739 1,740 11,741 3,756 1,757 1,758 1,760 13,761 7,762 3,763 8,769 6,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,803 1,819 2,825 1,827 23,828 1,832 1,833 3,842 1,846 1,848 1,849 1,850 2.8,852 1,858 12.167,859 6.51,860 5.167,861 2.074,863 3.226,864 1.459,865 0.971,866 4.095,867 10.248,868 3.584,869 4.216,870 4.874,871 5.532,872 6.116,873 6.515,874 6.965,875 7.422,876 7.694,877 7.932,878 1,879 37,880 8.458,881 3.667,882 8.181,883 15.442,884 12.468,885 2.681,886 61.667,890 117.711,891 82.503,892 115.967,894 42.683,895 14.96,897 82.503,898 160.394,899 130.927,901 7.175,902 61.326,903 123.006,904 59.091,905 17.288,906 105.94,908 117.711,909 198.471,910 57.643,913 109.129,914 66.226,917 53.101,918 95.135,919 50.234,921 132.671,922 158.651,923 82.503,926 117.711,927 28.854,928 38.824,929 16.602,930 171.834,931 117.711,932 173.611,933 82.503,935 0.575,936 0.342,937 0.186,938 0.109,939 17,940 8,941 0.105,942 4,943 1,944 1.133,945 3.42,946 187.098,947 0.133,948 15,949 104.042,954 15.204,955 6.194,956 2.814,957 1.074,958 171.834,959 5.281,960 12.619,964 0.043,965 1.639,966 75.581,967 373.825,968 35,980 36.985,981 41.2,983 0.343,984 0.827,985 0.931,986 0.957,987 0.957,988 0.957,989 4.82,990 1.336,991 5.652,992 3.512,993 4.263,994 4.902,995 2.456,996 6.506,997 4.167,998 6.061,999 1.027,1000 7.238,1001 2.997,1002 3.892,1003 4.808,1005 7.509,1006 3.737,1007 7.391,1008 0.652,1009 8.93,1010 2.51,1011 5.883,1012 7.211,1013 4.057,1014 10.667,1015 5.708,1016 8.762,1017 0.105,1018 10.685,1019 1.148,1020 6.365,1021 8.001,1023 12.543,1024 6.136,1025 10.166,1026 -0.192,1027 12.48,1028 0.23,1029 7.834,1030 9.87,1031 5.715,1032 15.232,1033 7.586,1034 11.597,1035 -0.387,1036 14.304,1037 -0.38,1038 8.705,1039 11.072,1041 17.468,1042 8.413,1043 13.049,1044 -0.595,1045 16.15,1046 -0.782,1047 9.98,1048 12.734,1049 7.386,1050 20.008,1051 9.664,1052 3.314,1053 -0.84,1054 18.011,1055 -1.604,1056 11.027,1057 14.126,1059 22.391,1060 10.674,1061 2.814,1062 11.956,1063 19.885,1064 -2.046,1065 12.234,1066 15.71,1067 9.058,1068 24.886,1069 11.853,1070 2.377,1071 8.746,1072 21.77,1073 4.723,1074 13.358,1075 17.186,1077 27.327,1078 12.943,1079 2.306,1080 7.69,1081 23.664,1082 3.878,1083 14.545,1084 18.742,1085 10.731,1086 29.81,1087 14.101,1088 1.697,1089 7.04,1090 25.566,1091 3.141,1092 15.704,1093 20.257,1095 32.274,1096 15.226,1097 1.512,1098 4.256,1099 27.473,1100 3.081,1101 16.888,1102 21.806,1103 12.404,1104 34.754,1105 16.379,1106 1.414,1107 4.076,1108 29.387,1109 2.238,1110 18.064,1111 23.338,1113 37.228,1114 17.522,1115 4984,1116 9678,1117 16.414,1118 24.472,1119 38.354,1120 40.983,1121 39.166,1122 37.135,1123 37.112,1124 50.923,1125 4.616,1126 108.323,1127 35.215,1128 5.562,1129 6.037,1130 6.91,1131 5.352,1132 5.314,1133 7.723,1134 4.616,1135 19.326,1136 5.201,1137 12.068,1138 1.534,1139 1.639,1140 1.567,1141 1.485,1142 1.484,1143 2.037,1144 0.185,1145 4.333,1146 1.409,1147 4.129,1148 4.176,1149 4.113,1150 3.989,1151 8.201,1152 4.013,1153 3.844,1154 3.871,1155 3.807,1156 3.727,1157 6.818,1158 3.743,1159 3.643,1160 3.708,1161 3.529,1162 3.498,1163 6.465,1164 3.495,1165 3.331,1166 3.418,1167 3.277,1168 3.06,1169 5.254,1170 3.103,1171 3.099,1172 3.156,1173 3.042,1174 2.92,1175 4.867,1176 2.941,1177 2.963,1178 3.082,1179 2.826,1180 2.746,1181 4.572,1182 2.748,1183 2.929,1184 2.97,1185 2.802,1186 2.644,1187 4.379,1188 2.681,1189 2.782,1190 2.848,1191 2.706,1192 2.577,1193 3.893,1194 2.596,1195 0.19,1196 0.161,1197 0.28,1198 0.171,1199 0.133,1200 4.745,1201 0.189,1202 4.037,1203 0.092,1204 7.001,1205 0.478,1206 4.28,1207 0.128,1208 3.314,1209 4.723,1210 2.308,1211 11.956,1212 3.201,1213 1.922,1214 1.903,1215 1.986,1216 2.035,1217 1.222,1218 2.016,1219 1.789,1220 1.742,1221 1.935,1222 1.978,1223 1.107,1224 1.963,1225 1.644,1226 1.588,1227 1.779,1228 1.825,1229 0.851,1230 1.824,1231 1.294,1232 1.226,1233 1.445,1234 1.565,1235 0.559,1236 1.53,1237 1.027,1238 0.972,1239 1.192,1240 1.247,1241 0.21,1242 1.239,1243 0.883,1244 0.839,1245 1.152,1246 1.23,1247 0.125,1248 1.204,1249 0.841,1250 0.734,1251 1.112,1252 1.13,1254 1.129,1255 0.721,1256 0.642,1257 0.936,1258 1.005,1260 0.99,1261 3.932,1263 5.252,1264 2.398,1265 6.779,1266 4.844,1267 8.407,1268 7.066,1269 10.092,1273 13.263,1275 5.937,1276 9.575,1277 1.508,1287 8.653,1288 2.076,1289 24.334,1290 63.898,1291 153.853,1292 173.362,1293 178.117,1294 178.117,1295 178.117,1296 47.605,1297 7.022,1298 113.64,1299 113.64,1300 17,1301 12.52,1302 4.17,1303 3.459,1304 36.567,1305 70,1306 92,1307 0.261,1308 152.089,1309 255.38,1310 362.857,1311 8952,1312 2.8,1313 16.397,1314 0.713,1315 0.525,1316 15.527,1317 12.069,1318 11.113,1319 0.445,1320 0.278,1321 6.815,1322 10.566,1323 6.726,1324 5.547,1325 10.703,1326 6.944,1327 9.833,1328 0.281,1329 0.142,1330 9.337,1331 4.957,1332 8.446,1333 0.176,1334 0.072,1335 7.784,1336 3.437,1337 6.927,1338 0.107,1339 0.036,1340 6.818,1341 2.356,1342 5.786,1343 0.068,1344 0.019,1345 5.586,1346 1.596,1347 0.394,1348 70.657,1349 0.247,1350 22.16,1351 0.765,1352 120,1353 449.799,1354 135.732,1355 415.143,1356 553.89,1357 384,1358 143,1359 404.713,1360 159.642,1361 402.319,1362 586.92,1363 378,1364 4.886}
{0 CHEMBL1242470,1 1.744,2 9.75,3 2.394,4 5.732,5 88.426,6 8.368,7 0.615,8 3.791,9 3.914,10 3.437,11 3.296,12 5.082,13 3.314,14 4.274,15 4.443,16 3.787,17 3.664,18 5.494,19 3.663,20 4.521,21 4.729,22 3.88,23 3.754,24 5.849,25 3.746,26 4.538,27 4.76,28 3.808,29 3.733,30 5.764,31 3.712,32 4.48,33 4.701,34 3.714,35 3.703,36 5.635,37 3.669,38 4.455,39 4.662,40 3.715,41 3.682,42 5.717,43 3.65,44 4.482,45 4.716,46 3.624,47 3.618,48 5.766,49 3.553,50 4.361,51 4.612,52 3.381,53 3.403,54 5.724,55 3.325,56 0.138,57 0.702,58 6.445,59 3.069,60 20.731,61 3.621,62 0.25,63 1.073,64 12.106,65 5.162,66 29.291,67 6.515,68 0.522,69 1.248,70 18.45,71 6.198,72 78.561,73 8.211,74 0.537,75 1.23,76 19.085,77 6.039,78 71.093,79 7.901,80 0.432,81 1.118,82 17.4,83 5.317,84 51.546,85 7.445,86 0.455,87 1.136,88 16.136,89 5.238,90 53.244,91 7.064,92 0.52,93 1.093,94 18.811,95 6.331,96 65.704,97 8.834,98 0.567,99 0.95,100 18.298,101 5.73,102 87.35,103 7.878,104 22,105 36,106 0.307,107 0.739,108 0.847,109 0.887,110 0.887,111 0.887,112 3.229,113 0.859,114 -4.18,115 -4.12,116 -3.9,118 41,120 3,124 1,138 3,139 2,140 2,142 1,143 1,144 1,153 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 7,172 1,173 1,175 2,178 4,180 1,181 1,182 6,186 2,188 3,191 2,192 9,194 3,195 3,197 2,199 2,201 1,204 7,206 1,208 3,211 2,213 2,214 1,215 4,218 1,220 2,223 4,225 2,227 1,228 1,231 2,232 1,233 1,234 1,235 4,237 1,239 1,240 2,245 2,247 3,249 1,252 1,257 1,260 1,264 844,265 16.267,266 16.267,267 16.267,268 16.267,269 16.267,270 14.1,271 12.618,272 9.79,273 16.618,274 12.793,275 12.793,276 12.793,277 12.793,278 12.793,279 9.491,280 7.096,281 4.608,282 13.414,283 3.541,284 1.096,285 0.481,286 0.256,287 0.256,288 0.256,289 3.909,292 1,293 1,294 1,295 491,296 3,299 49.436,300 129.451,303 93.955,307 1.521,308 34.433,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 53.5,320 234,321 4.745,322 4.036,323 7.001,324 4.28,325 3.314,326 4.723,327 2.308,328 11.956,329 3.201,330 4.211,331 3.351,332 6.081,333 3.768,334 2.814,335 3.878,337 8.746,338 2.677,339 3.719,340 3.154,341 5.801,342 3.322,343 2.378,344 3.141,346 7.69,347 2.234,348 3.67,349 2.516,350 5.567,351 3.25,352 2.307,353 3.081,355 7.04,356 2.168,357 3.499,358 2.429,359 4.501,360 2.75,361 1.768,362 2.238,364 4.262,365 1.736,366 3,367 1.876,368 4.467,369 2.451,370 1.516,371 2.116,373 4.08,374 1.413,375 2.836,376 1.859,377 4.038,378 2.368,379 1.414,380 1.948,382 3.512,383 1.343,384 2.82,385 1.568,386 3.76,387 2.362,388 1.414,389 1.897,391 3.272,392 1.331,393 2.531,394 1.517,395 3.626,396 1.997,397 1.05,398 1.49,400 2.558,401 0.991,402 2.395,403 1.088,404 3.085,405 1.878,406 0.924,407 1.213,409 1.768,410 0.879,411 1.599,412 0.967,413 2.736,414 1.133,415 0.177,416 0.227,417 0.315,418 0.168,419 1.371,420 0.587,421 2.483,422 0.987,423 0.097,424 0.119,425 0.209,426 0.085,427 1.071,428 0.078,429 2.377,430 0.629,431 -0.285,432 -0.365,433 -0.64,434 -0.261,435 0.79,436 -0.195,437 2.363,438 0.356,439 -0.594,440 -0.757,441 -1.225,442 -0.554,443 0.738,444 -0.296,445 2.2,446 0.313,447 -0.624,448 -0.828,449 -1.604,450 -0.582,451 11.019,452 0.459,453 0.559,454 0.023,455 33.75,456 1.406,457 18,458 0.75,459 15.75,460 0.656,461 16.911,462 0.705,463 25.581,464 0.656,465 24.381,466 1.016,467 6.527,468 0.272,469 5.086,470 0.212,471 0.129,473 0.354,477 1,478 0.77,479 1.1,480 0.707,481 0.984,482 0.683,483 0.862,484 0.66,485 1.069,486 0.732,487 1.066,488 0.53,489 0.95,490 0.858,491 1.119,492 0.827,493 0.988,494 0.761,495 0.912,496 1.008,497 0.939,498 1.031,499 0.939,500 0.932,501 0.972,502 0.824,503 0.926,504 1.047,505 0.965,506 0.624,507 1.02,508 0.834,509 0.941,510 1.134,511 1.101,512 0.793,513 1.158,514 0.655,515 0.927,516 0.964,517 1.127,518 0.681,519 1.134,520 0.917,521 0.801,522 1.031,523 1.042,524 0.996,525 1.085,526 4,527 0.066,528 2.889,529 1.917,530 1.602,531 0.712,532 0.602,533 0.455,534 0.228,535 0.127,536 5719,537 20248,538 2.04,539 38.5,540 2,541 5,543 1,544 3,545 2,546 2,549 1.674,550 1.895,551 3.225,552 1.08,553 1,554 1,556 1,558 68.018,559 1.744,560 4.189,561 4.805,562 5.029,563 5.029,564 5.029,565 2.757,566 4.418,567 4.545,568 3.367,569 929.278,570 7.879,571 10700.2,572 1,573 1,575 1,576 206.131,577 1.459,578 4.507,579 0.154,580 0.007,581 0.08,582 0.05,583 0.046,584 0.022,585 0.019,586 0.017,587 0.011,588 0.01,589 0.417,590 0.33,591 1,592 1.577,593 112.843,594 -0.083,595 -0.046,596 0.006,597 0.036,598 -0.061,599 0.041,600 0.033,601 -0.069,602 0.075,603 -0.059,604 0.039,605 -0.001,606 0.05,607 -0.141,608 0.108,609 -0.007,610 0.083,611 0.056,612 -0.095,613 0.048,614 -0.087,615 -0.002,616 -0.115,617 -0.035,618 -0.131,619 -0.073,620 -0.146,621 -0.044,622 -0.056,623 -0.077,624 -0.056,625 -0.01,626 -0.25,627 -0.177,628 -0.091,629 -0.24,630 0.187,631 -0.051,632 0.02,633 -0.143,634 0.102,635 -0.119,636 0.151,637 0.086,638 0.041,639 -0.043,640 0.091,641 -0.046,642 2.372,643 5.301,644 0.625,645 21.5,646 1.022,647 1.144,648 2.95,649 8.701,650 0.673,651 3.296,652 3.611,653 3.912,654 4.205,655 4.466,656 4.585,657 4.718,658 4.844,659 4.844,660 4.771,661 5.631,662 0.663,663 326.37,664 3.296,665 4.828,666 5.687,667 6.575,668 7.466,669 8.369,670 9.275,671 10.187,672 11.1,673 12.016,674 15.4,678 1,682 1,683 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 39,718 17,719 1,720 26,722 41,723 16,724 11,725 3,726 3,728 3,729 4,738 3,739 1,740 11,741 4,756 1,757 1,758 1,760 15,761 7,762 3,763 8,769 6,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,803 1,819 2,825 1,827 24,828 1,832 1,833 4,842 1,846 1,848 1,849 1,850 2.6,852 1,858 12.667,859 7.01,860 5.417,861 2.324,863 3.207,864 1.452,865 0.966,866 4.593,867 10.301,868 3.611,869 4.23,870 4.882,871 5.536,872 6.118,873 6.51,874 6.96,875 7.416,876 7.68,877 7.934,878 0.857,879 38,880 8.837,881 3.809,882 8.132,883 16.258,884 13.134,885 2.632,886 63.167,890 141.253,891 85.038,892 115.967,894 42.683,895 14.96,897 85.038,898 183.937,899 130.927,901 9.709,902 61.326,903 123.006,904 59.091,905 17.288,906 129.482,908 141.253,909 201.005,910 57.643,913 132.671,914 66.226,917 55.636,918 95.135,919 50.234,921 156.213,922 158.651,923 85.038,926 141.253,927 31.389,928 38.824,929 16.602,930 171.834,931 141.253,932 173.611,933 85.038,935 0.572,936 0.338,937 0.182,938 0.106,939 17,940 8,941 0.122,942 5,943 1,944 1.133,945 3.538,946 196.019,947 0.133,948 15,949 110.039,954 16.167,955 6.818,956 3.179,957 1.127,958 171.834,959 5.34,960 12.732,964 0.111,965 1.695,966 75.581,967 399.902,968 36,980 39.869,981 44.615,983 0.33,984 0.793,985 0.909,986 0.951,987 0.951,988 0.951,989 4.844,990 1.414,991 5.673,992 3.512,993 4.29,994 4.916,995 2.456,996 6.518,997 4.198,998 6.078,999 1.05,1000 7.252,1001 3.272,1002 3.892,1003 4.808,1005 7.509,1006 3.737,1007 7.403,1008 0.924,1009 8.939,1010 2.558,1011 5.9,1012 7.215,1013 4.057,1014 10.669,1015 5.727,1016 8.77,1017 0.177,1018 10.69,1019 1.768,1020 6.365,1021 8.001,1023 12.543,1024 6.136,1025 10.172,1026 0.097,1027 12.484,1028 0.315,1029 7.842,1030 9.871,1031 5.715,1032 15.233,1033 7.596,1034 11.6,1035 -0.285,1036 14.307,1037 0.209,1038 8.705,1039 11.072,1041 17.468,1042 8.413,1043 13.051,1044 -0.594,1045 16.151,1046 -0.64,1047 9.984,1048 12.735,1049 7.386,1050 20.008,1051 9.669,1052 3.314,1053 -0.624,1054 18.012,1055 -1.225,1056 11.027,1057 14.126,1059 22.391,1060 10.674,1061 2.814,1062 11.956,1063 19.886,1064 -1.604,1065 12.235,1066 15.71,1067 9.058,1068 24.886,1069 11.855,1070 2.378,1071 8.746,1072 21.77,1073 4.723,1074 13.358,1075 17.186,1077 27.327,1078 12.943,1079 2.307,1080 7.69,1081 23.664,1082 3.878,1083 14.546,1084 18.742,1085 10.731,1086 29.81,1087 14.101,1088 1.768,1089 7.04,1090 25.566,1091 3.141,1092 15.704,1093 20.257,1095 32.274,1096 15.226,1097 1.516,1098 4.262,1099 27.473,1100 3.081,1101 16.888,1102 21.806,1103 12.404,1104 34.754,1105 16.38,1106 1.414,1107 4.08,1108 29.387,1109 2.238,1110 18.064,1111 23.338,1113 37.228,1114 17.522,1115 5740,1116 10907,1117 17.107,1118 26.233,1119 39.589,1120 42.283,1121 40.473,1122 38.382,1123 38.346,1124 52.142,1125 4.616,1126 110.816,1127 36.45,1128 5.606,1129 6.036,1130 6.937,1131 5.353,1132 5.314,1133 7.723,1134 4.616,1135 19.326,1136 5.201,1137 12.518,1138 1.523,1139 1.626,1140 1.557,1141 1.476,1142 1.475,1143 2.005,1144 0.178,1145 4.262,1146 1.402,1147 4.13,1148 4.177,1149 4.113,1150 3.99,1151 8.201,1152 4.013,1153 3.844,1154 3.871,1155 3.807,1156 3.728,1157 6.818,1158 3.743,1159 3.689,1160 3.753,1161 3.562,1162 3.555,1163 6.465,1164 3.546,1165 3.396,1166 3.48,1167 3.321,1168 3.165,1169 5.254,1170 3.186,1171 3.174,1172 3.241,1173 3.104,1174 2.972,1175 4.867,1176 3.001,1177 3.014,1178 3.116,1179 2.916,1180 2.746,1181 4.572,1182 2.772,1183 2.931,1184 2.972,1185 2.804,1186 2.734,1187 4.38,1188 2.747,1189 2.837,1190 2.918,1191 2.734,1192 2.594,1193 3.993,1194 2.615,1195 0.183,1196 0.155,1197 0.269,1198 0.165,1199 0.127,1200 4.745,1201 0.182,1202 4.036,1203 0.089,1204 7.001,1205 0.46,1206 4.28,1207 0.123,1208 3.314,1209 4.723,1210 2.308,1211 11.956,1212 3.201,1213 1.922,1214 1.903,1215 1.988,1216 2.036,1217 1.294,1218 2.017,1219 1.796,1220 1.747,1221 1.973,1222 1.982,1223 1.109,1224 1.973,1225 1.683,1226 1.63,1227 1.8,1228 1.855,1229 0.901,1230 1.856,1231 1.39,1232 1.32,1233 1.584,1234 1.643,1235 0.744,1236 1.622,1237 1.104,1238 1.048,1239 1.247,1240 1.341,1241 0.298,1242 1.325,1243 0.899,1244 0.84,1245 1.152,1246 1.231,1247 0.181,1248 1.209,1249 0.883,1250 0.819,1251 1.119,1252 1.141,1253 0.114,1254 1.131,1255 0.8,1256 0.693,1257 1.093,1258 1.11,1260 1.111,1261 3.97,1263 5.283,1264 2.398,1265 6.801,1266 4.844,1267 8.423,1268 7.066,1269 10.102,1273 13.301,1275 5.968,1276 9.607,1277 2.574,1287 8.609,1288 2.104,1289 25.861,1290 68.018,1291 163.376,1292 187.376,1293 196.131,1294 196.131,1295 196.131,1296 50.973,1297 7.094,1298 113.64,1299 113.64,1300 17,1301 12.528,1302 4.17,1303 3.459,1304 39.059,1305 78,1306 107,1307 0.249,1308 161.681,1309 272.68,1310 386.262,1311 9951,1312 2.6,1313 17.104,1314 0.713,1315 0.532,1316 16.234,1317 12.776,1318 11.613,1319 0.447,1320 0.286,1321 7.315,1322 11.066,1323 7.216,1324 5.963,1325 11.203,1326 7.444,1327 10.186,1328 0.283,1329 0.148,1330 9.69,1331 5.311,1332 8.696,1333 0.177,1334 0.075,1335 8.034,1336 3.687,1337 7.103,1338 0.108,1339 0.038,1340 6.995,1341 2.514,1342 5.92,1343 0.069,1344 0.02,1345 5.72,1346 1.703,1347 0.38,1348 73.657,1349 0.242,1350 23.171,1351 0.717,1352 124,1353 453.799,1354 139.732,1355 419.305,1356 559.65,1357 388,1358 147,1359 408.713,1360 163.642,1361 406.481,1362 592.68,1363 382,1364 4}
{0 CHEMBL1242471,1 1.683,2 8.476,3 1.946,4 3.787,5 78.732,6 7.926,7 0.696,8 3.722,9 3.844,10 3.338,11 3.172,12 4.927,13 3.199,14 4.201,15 4.368,16 3.668,17 3.512,18 5.356,19 3.531,20 4.29,21 4.449,22 3.74,23 3.598,24 5.445,25 3.608,26 4.343,27 4.508,28 3.719,29 3.634,30 5.535,31 3.619,32 4.473,33 4.694,34 3.514,35 3.622,36 5.5,37 3.552,38 4.365,39 4.6,40 3.374,41 3.458,42 5.383,43 3.378,44 4.219,45 4.482,46 3.198,47 3.23,48 5.232,49 3.142,50 4.006,51 4.276,52 2.949,53 2.984,54 5.011,55 2.896,56 0.106,57 0.567,58 6.874,59 2.806,60 9.673,61 3.553,62 0.319,63 0.822,64 13.346,65 4.567,66 24.03,67 5.844,68 0.372,69 0.9,70 14.353,71 4.962,72 21.77,73 6.499,74 0.316,75 0.971,76 14.444,77 5.312,78 26.016,79 6.94,80 0.444,81 0.96,82 19.174,83 5.893,84 33.007,85 8.306,86 0.406,87 0.82,88 17.777,89 5.478,90 31.484,91 7.936,92 0.422,93 0.662,94 16.316,95 4.698,96 31.906,97 7.201,98 0.361,99 0.526,100 13.441,101 3.634,102 27.313,103 5.65,104 15,105 32,106 0.305,107 0.697,108 0.834,109 0.868,110 0.868,111 0.868,112 3.104,113 0.848,114 -3.63,115 -3.6,116 -3.43,118 38.9,119 1,123 1,124 1,138 3,139 2,140 2,143 1,144 1,145 1,148 1,158 1,159 1,160 1,163 1,167 3,170 2,171 6,172 1,173 1,175 3,178 3,180 1,181 1,182 5,184 1,186 2,188 3,191 1,192 6,194 2,195 3,196 1,197 2,198 1,199 2,201 1,204 7,206 1,208 2,211 2,213 2,214 1,215 3,218 1,220 1,223 1,225 1,227 3,230 1,231 1,239 2,242 1,243 1,245 1,247 1,252 1,264 526,265 14.516,266 14.516,267 14.516,268 14.516,269 14.516,270 12.653,271 11.473,272 8.565,273 15.121,274 11.246,275 11.246,276 11.246,277 11.246,278 11.246,279 8.372,280 11.603,281 3.845,282 12.024,283 3.487,284 1.32,285 0.563,286 0.375,287 0.375,288 0.375,289 3.784,292 1,293 1,294 1,295 380,296 2.55,299 41.693,300 114.07,303 79.473,307 1.311,308 18.939,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 46.5,320 178,321 4.672,322 3.286,323 6.888,324 4.21,325 3.238,326 4.629,327 0.86,328 11.505,329 3.146,330 4.248,331 3.149,332 6.186,333 3.815,334 2.87,335 3.907,336 0.86,337 9.192,338 2.712,339 3.717,340 2.469,341 5.768,342 3.322,343 2.37,344 3.121,346 7.708,347 2.248,348 3.421,349 2.246,350 5.034,351 2.918,352 1.992,353 2.807,355 5.677,356 1.841,357 3.013,358 2.061,359 4.51,360 2.567,361 1.669,362 2.253,364 4.413,365 1.493,366 2.933,367 1.591,368 4.338,369 2.463,370 1.524,371 2.069,373 3.966,374 1.427,375 2.566,376 1.377,377 3.814,378 2.067,379 1.136,380 1.596,382 2.704,383 1.05,384 2.255,385 1.059,386 3.324,387 1.944,388 1,389 1.206,391 1.982,392 0.937,393 2.128,394 0.939,395 3.227,396 1.683,397 0.73,398 1.01,400 1.719,401 0.694,402 1.661,403 0.785,404 2.762,405 1.383,406 0.501,407 0.567,409 0.781,410 0.437,411 1.11,412 0.226,413 2.593,414 0.815,415 -0.108,416 -0.123,417 -0.183,418 -0.099,419 1.032,420 -0.195,421 2.365,422 0.579,423 -0.33,424 -0.425,425 -0.741,426 -0.299,427 0.625,428 -0.491,429 2.16,430 0.229,431 -0.721,432 -0.883,433 -1.444,434 -0.683,435 0.572,436 -0.633,437 2,438 0.144,439 -0.806,440 -1.021,441 -2.017,442 -0.749,443 0.342,444 -0.916,445 1.893,446 -0.049,447 -1,448 -1.394,449 -2.596,450 -0.944,451 9.667,452 0.46,453 0.431,454 0.021,455 29.75,456 1.417,457 15.5,458 0.738,459 14.25,460 0.679,461 13.787,462 0.657,463 22.733,464 0.631,465 20.203,466 0.962,467 6.045,468 0.288,469 4.196,470 0.2,471 0.145,473 0.362,478 0.95,479 1.289,480 0.746,481 1.113,482 1.056,483 0.914,484 1.231,485 0.92,486 0.766,487 0.803,488 0.904,489 0.717,490 1.118,491 1.187,492 0.812,493 0.969,494 0.897,495 0.86,496 0.969,497 1.182,498 1.033,499 1.251,500 0.899,501 1.18,502 1.166,503 1.036,504 1.187,505 1.073,506 1.075,507 1.127,508 0.967,509 1.068,510 1.054,511 1.121,512 1.038,513 1.118,514 0.668,515 0.893,516 0.856,517 0.976,518 0.697,519 0.963,520 0.785,521 0.888,522 0.886,523 0.908,524 0.641,525 0.922,526 3.5,527 0.021,528 2.667,529 1.5,530 1.357,531 0.615,532 0.424,533 0.306,534 0.126,535 0.086,536 3974,537 11774,538 2.074,539 41.7,541 8,543 1,544 3,546 3,549 1.635,550 1.938,551 3.066,552 1.156,553 1,554 1,556 1,558 60.601,559 1.683,560 3.85,561 4.607,562 4.795,563 4.795,564 4.795,565 2.529,566 4.202,567 4.362,568 3.167,569 665.048,570 7.492,571 6847.3,572 1,573 1,575 1,576 186.117,577 1.418,578 4.322,579 0.152,580 0.005,581 0.083,582 0.044,583 0.042,584 0.025,585 0.02,586 0.018,587 0.01,588 0.011,589 0.41,590 0.5,591 1,592 1.142,593 93.364,594 -0.075,595 -0.073,596 0.046,597 -0.064,598 -0.173,599 0.01,600 -0.097,601 0.148,602 0.148,603 0.206,604 0.036,605 0.219,606 -0.004,607 -0.125,608 0.089,609 0.055,610 0.035,611 0.083,612 -0.022,613 -0.062,614 -0.167,615 -0.254,616 0.03,617 -0.256,618 -0.182,619 -0.066,620 -0.225,621 -0.093,622 -0.169,623 -0.156,624 0.005,625 -0.153,626 -0.062,627 -0.136,628 -0.068,629 -0.12,630 0.29,631 -0.033,632 0.188,633 -0.012,634 0.26,635 0.053,636 0.226,637 -0.044,638 0.179,639 0.035,640 0.343,641 0.084,642 1.281,643 2.011,644 0.714,645 15.007,646 1.016,647 1.139,648 2.399,649 5.757,650 0.66,651 3.178,652 3.497,653 3.829,654 4.127,655 4.317,656 4.382,657 4.5,658 4.625,659 4.595,660 4.533,661 4.968,662 0.644,663 285.34,664 3.178,665 4.71,666 5.58,667 6.472,668 7.363,669 8.264,670 9.162,671 10.066,672 10.967,673 11.873,674 13.9,678 1,682 1,684 3,689 2,690 4,691 3,692 1,695 5,697 16,708 1,714 2,716 36,718 16,719 1,720 23,722 38,723 14,724 11,725 3,726 3,728 3,729 4,732 1,740 11,741 3,756 1,757 1,760 15,761 6,762 3,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,823 2,827 21,828 1,833 1,835 2,850 5.6,855 2,858 10.833,859 7.1,860 4.806,861 2.069,863 3.202,864 1.466,865 0.99,866 3.73,867 10.074,868 3.466,869 4.123,870 4.813,871 5.473,872 6.014,873 6.382,874 6.832,875 7.293,876 7.537,877 7.825,878 0.833,879 34,880 7.67,881 3.176,882 7.77,883 14.415,884 11.311,885 2.27,886 47.667,890 141.253,891 84.393,892 99.794,894 22,897 84.393,898 163.253,899 99.794,900 19.708,901 4.592,902 61.326,903 62.005,904 65.242,905 5.085,906 129.482,908 141.253,909 184.188,910 22,913 107.655,914 57.313,917 38.699,918 93.539,919 50.234,921 141.253,922 121.794,923 84.393,926 141.253,927 27.638,928 56.756,929 16.663,930 105.131,931 141.253,932 121.794,933 84.393,935 0.569,936 0.356,937 0.208,938 0.11,939 16,940 7,941 0.105,942 4,943 1,944 1.133,945 3.265,946 165.016,947 0.133,948 15,949 92.239,954 13.798,955 5.676,956 2.436,957 1.231,958 105.131,959 7.017,960 12.236,961 2.945,964 3.352,966 49.56,967 347.441,968 31,980 36.582,981 40.986,983 0.326,984 0.745,985 0.891,986 0.927,987 0.927,988 0.927,989 4.682,990 1,991 5.565,992 2.704,993 4.174,994 4.808,995 1.376,996 6.418,997 4.061,998 5.908,999 0.73,1000 7.148,1001 1.982,1002 3.761,1003 4.691,1005 7.427,1006 3.63,1007 7.236,1008 0.501,1009 8.836,1010 1.719,1011 5.796,1012 7.128,1013 1.159,1014 10.562,1015 5.606,1016 8.609,1017 -0.108,1018 10.587,1019 0.781,1020 6.256,1021 7.896,1023 12.424,1024 6.05,1025 10.018,1026 -0.33,1027 12.379,1028 -0.183,1029 7.737,1030 9.776,1031 0.963,1032 15.076,1033 7.489,1034 11.453,1035 -0.721,1036 14.198,1037 -0.741,1038 8.587,1039 10.949,1041 17.275,1042 8.319,1043 12.908,1044 -0.806,1045 16.037,1046 -1.444,1047 9.858,1048 12.61,1049 0.787,1050 19.773,1051 9.558,1052 3.238,1053 -1,1054 17.891,1055 -2.017,1056 10.882,1057 13.972,1059 22.11,1060 10.557,1061 2.87,1062 11.505,1063 19.757,1064 -2.596,1065 12.075,1066 15.545,1067 0.634,1068 24.561,1069 11.722,1070 2.37,1071 9.192,1072 21.631,1073 4.629,1074 13.174,1075 16.994,1077 26.954,1078 12.796,1079 1.992,1080 7.708,1081 23.514,1082 3.907,1083 14.341,1084 18.534,1085 0.504,1086 29.392,1087 13.937,1088 1.669,1089 5.677,1090 25.402,1091 3.121,1092 15.473,1093 20.023,1095 31.811,1096 15.043,1097 1.524,1098 4.413,1099 27.296,1100 2.807,1101 16.633,1102 21.551,1103 0.395,1104 34.247,1105 16.178,1106 1.136,1107 3.966,1108 29.194,1109 2.253,1110 17.782,1111 23.06,1113 36.677,1114 17.3,1115 3957,1116 6934,1117 15.315,1118 23.745,1119 34.269,1120 34.704,1121 36.092,1122 34.047,1123 34.058,1124 46.332,1125 3.44,1126 99.291,1127 31.969,1128 5.396,1129 5.286,1130 6.654,1131 5.282,1132 5.238,1133 7.629,1134 1.72,1135 18.719,1136 5.146,1137 9.802,1138 1.49,1139 1.509,1140 1.569,1141 1.48,1142 1.481,1143 2.014,1144 0.15,1145 4.317,1146 1.39,1147 4.109,1148 4.154,1149 4.09,1150 3.978,1151 5.283,1152 3.999,1153 3.845,1154 3.867,1155 3.804,1156 3.714,1157 4.947,1158 3.734,1159 3.467,1160 3.538,1161 3.316,1162 3.261,1163 4.87,1164 3.254,1165 3.324,1166 3.414,1167 3.211,1168 3.038,1169 4.513,1170 3.074,1171 3.221,1172 3.298,1173 3.049,1174 2.94,1175 4.478,1176 2.952,1177 3,1178 3.11,1179 2.888,1180 2.707,1181 4.248,1182 2.746,1183 2.798,1184 2.866,1185 2.658,1186 2.638,1187 3.751,1188 2.627,1189 2.739,1190 2.8,1191 2.552,1192 2.553,1193 3.627,1194 2.554,1195 0.203,1196 0.143,1197 0.299,1198 0.183,1199 0.141,1200 4.672,1201 0.201,1202 3.286,1203 0.037,1204 6.888,1205 0.5,1206 4.21,1207 0.137,1208 3.238,1209 4.629,1210 0.86,1211 11.505,1212 3.146,1213 1.931,1214 1.914,1215 2.001,1216 2.036,1217 1.14,1218 2.024,1219 1.74,1220 1.705,1221 1.816,1222 1.93,1223 0.939,1224 1.896,1225 1.464,1226 1.392,1227 1.767,1228 1.72,1229 0.83,1230 1.735,1231 1.288,1232 1.214,1233 1.574,1234 1.619,1235 0.574,1236 1.587,1237 1.171,1238 1.09,1239 1.384,1240 1.483,1241 0.324,1242 1.493,1243 0.871,1244 0.79,1245 1.162,1246 1.244,1247 0.15,1248 1.232,1249 0.789,1250 0.72,1251 1.087,1252 1.065,1253 0.114,1254 1.062,1255 0.783,1256 0.679,1257 1.021,1258 0.977,1260 1.008,1261 3.85,1263 5.165,1264 2.398,1265 6.696,1266 4.727,1267 8.329,1268 6.862,1269 10.014,1271 3.526,1275 5.92,1277 0.573,1279 10.868,1289 23.171,1290 60.601,1291 138.608,1292 165.853,1293 172.608,1294 172.608,1295 172.608,1296 26.279,1297 6.871,1298 98.94,1299 98.94,1300 17,1301 12.392,1302 4.087,1303 3.17,1304 32.079,1305 62,1306 70,1307 0.263,1308 144.355,1309 235.08,1310 343.987,1311 7594,1313 14.82,1314 0.706,1315 0.56,1316 14.82,1317 11.752,1318 10.241,1319 0.445,1320 0.283,1321 6.352,1322 9.642,1323 6.186,1324 5.166,1325 10.241,1326 6.5,1327 8.777,1328 0.274,1329 0.136,1330 8.777,1331 4.355,1332 7.771,1333 0.173,1334 0.07,1335 7.771,1336 3.132,1337 6.812,1338 0.112,1339 0.036,1340 6.812,1341 2.186,1342 5.352,1343 0.072,1344 0.019,1345 5.352,1346 1.393,1347 0.398,1348 65.573,1349 0.256,1350 20.43,1351 0.763,1352 110,1353 364.052,1354 124.498,1355 345.74,1356 480.57,1357 326,1358 132,1359 364.226,1360 147.193,1361 366.088,1362 537,1363 343,1364 4}
{0 CHEMBL1242472,1 1.596,2 8.75,3 2.742,4 7.519,5 94.237,6 7.276,7 0.615,8 3.912,9 4.041,10 3.46,11 3.364,12 5.04,13 3.364,14 4.433,15 4.625,16 3.813,17 3.712,18 5.487,19 3.706,20 4.577,21 4.77,22 3.926,23 3.838,24 5.661,25 3.829,26 4.659,27 4.859,28 3.944,29 3.927,30 5.755,31 3.891,32 4.726,33 4.934,34 3.815,35 3.957,36 5.729,37 3.881,38 4.711,39 4.928,40 3.738,41 3.904,42 5.728,43 3.805,44 4.751,45 5.031,46 3.52,47 3.767,48 5.693,49 3.626,50 4.563,51 4.86,52 3.315,53 3.491,54 5.426,55 3.355,56 0.063,57 0.683,58 9.739,59 3.759,60 10.429,61 5.187,62 0.284,63 1.02,64 18.504,65 5.902,66 25.594,67 8.403,68 0.398,69 1.18,70 21.477,71 6.275,72 29.063,73 9.334,74 0.358,75 1.301,76 22.956,77 7.343,78 34.596,79 10.691,80 0.39,81 1.313,82 24.985,83 7.88,84 35.047,85 11.625,86 0.326,87 1.261,88 24.575,89 8.188,90 34.76,91 12.222,92 0.517,93 1.148,94 27.716,95 7.985,96 51.599,97 12.667,98 0.433,99 0.857,100 23.878,101 6.942,102 38.704,103 10.786,104 36,105 37,106 0.276,107 0.627,108 0.773,109 0.831,110 0.831,111 0.831,112 3.23,113 0.907,114 -4.38,115 -4.31,116 -4.07,118 37.8,119 3,123 1,124 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 10,172 1,173 1,175 1,178 4,180 1,181 2,182 9,188 3,191 2,192 9,194 3,195 3,197 1,199 4,201 1,203 1,204 7,208 2,211 4,213 2,214 2,215 5,220 3,223 5,225 3,227 3,230 1,231 1,235 2,239 2,240 3,242 1,243 1,247 1,252 3,264 786,265 16.223,266 16.223,267 16.223,268 16.223,269 16.223,270 14.392,271 17.798,272 9.469,273 16.867,274 12.714,275 12.714,276 12.714,277 12.714,278 12.714,279 9.782,280 16.603,281 4.261,282 13.566,283 3.896,284 1.869,285 1.023,286 0.689,287 0.689,288 0.689,289 3.907,292 1,293 1,294 1,295 441,296 3.162,299 49.03,300 131.305,303 93.298,307 1.375,308 20.751,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52.5,320 210,321 4.76,322 3.383,323 7.039,324 4.302,325 3.339,326 4.732,327 0.86,328 12.088,329 3.218,330 4.263,331 3.19,332 6.241,333 3.844,334 2.895,335 3.917,336 0.86,337 9.331,338 2.744,339 3.823,340 2.687,341 6.064,342 3.499,343 2.549,344 3.22,346 8.541,347 2.416,348 3.707,349 2.46,350 5.71,351 3.308,352 2.357,353 3.113,355 7.446,356 2.234,357 3.035,358 2.245,359 4.82,360 2.684,361 1.744,362 2.261,364 4.819,365 1.637,366 2.993,367 1.823,368 4.53,369 2.567,370 1.669,371 2.128,373 4.436,374 1.493,375 2.933,376 1.591,377 4.349,378 2.463,379 1.522,380 2.069,382 3.997,383 1.426,384 2.54,385 1.376,386 3.862,387 2.066,388 1.135,389 1.557,391 2.771,392 1.05,393 2.217,394 1.057,395 3.495,396 1.948,397 1,398 1.182,400 2.126,401 0.942,402 2.101,403 0.94,404 3.236,405 1.757,406 0.799,407 1.007,409 1.827,410 0.763,411 1.662,412 0.848,413 2.762,414 1.383,415 0.502,416 0.568,417 0.781,418 0.438,419 1.111,420 0.227,421 2.681,422 0.815,423 -0.108,424 -0.123,425 -0.183,426 -0.098,427 1.046,428 -0.161,429 2.425,430 0.608,431 -0.302,432 -0.385,433 -0.691,434 -0.275,435 0.658,436 -0.491,437 2.257,438 0.232,439 -0.715,440 -0.883,441 -1.454,442 -0.674,443 0.579,444 -0.633,445 2.199,446 0.144,447 -0.805,448 -1,449 -2,450 -0.748,451 11.167,452 0.465,453 0.61,454 0.025,455 31.5,456 1.313,457 15.5,458 0.646,459 16,460 0.667,461 19.723,462 0.822,463 26.633,464 0.592,465 23.021,466 0.959,467 6.144,468 0.256,469 5.418,470 0.226,471 0.215,473 0.394,478 0.9,479 1.427,480 0.807,481 1.235,482 1.064,483 1.036,484 1.184,485 1.033,486 0.745,487 0.843,488 0.83,489 0.745,490 1.213,491 1.136,492 0.857,493 0.857,494 0.914,495 0.799,496 0.995,497 1.062,498 0.964,499 1.027,500 0.98,501 0.991,502 1.192,503 1.124,504 1.207,505 1.114,506 1.089,507 1.152,508 0.855,509 1.313,510 1.141,511 1.331,512 1.043,513 1.295,514 0.729,515 0.916,516 1.035,517 1.041,518 1.175,519 1.072,520 0.795,521 0.825,522 0.776,523 0.882,524 0.57,525 0.843,526 4.5,527 0.054,528 3.111,529 2.167,530 1.967,531 1.035,532 0.606,533 0.458,534 0.265,535 0.126,536 5355,537 14064,538 2.015,539 46.7,541 9,543 1,544 2,546 9,549 1.676,550 1.846,551 3.101,552 0.337,553 1,554 1,556 1,558 71.798,559 1.596,560 3.623,561 4.469,562 4.803,563 4.803,564 4.803,565 2.555,566 4.418,567 4.553,568 3.237,569 893.303,570 7.896,571 10114.2,573 1,575 1,576 247.133,577 1.528,578 4.493,579 0.173,580 0.008,581 0.084,582 0.053,583 0.048,584 0.03,585 0.02,586 0.02,587 0.014,588 0.01,589 0.458,590 0.17,591 1,592 1.229,593 111.572,594 -0.005,595 -0.167,596 0.066,597 -0.12,598 -0.146,599 -0.029,600 -0.018,601 0.057,602 0.221,603 0.172,604 0.12,605 0.222,606 -0.026,607 -0.029,608 0.114,609 0.133,610 0.068,611 0.148,612 -0.014,613 0.074,614 -0.023,615 -0.028,616 0.029,617 -0.031,618 -0.197,619 -0.039,620 -0.264,621 -0.105,622 -0.174,623 -0.182,624 -0.002,625 -0.267,626 -0.21,627 -0.304,628 -0.067,629 -0.298,630 0.138,631 0.012,632 -0.047,633 -0.1,634 -0.08,635 -0.098,636 0.218,637 -0.022,638 0.253,639 0.065,640 0.332,641 0.151,642 1.255,643 2.096,644 0.625,645 18.833,646 1.005,647 1.138,648 3.148,649 9.911,650 0.645,651 3.296,652 3.638,653 3.97,654 4.29,655 4.543,656 4.673,657 4.771,658 4.89,659 4.905,660 4.883,661 5.264,662 0.617,663 327.43,664 3.296,665 4.844,666 5.72,667 6.627,668 7.531,669 8.447,670 9.361,671 10.282,672 11.201,673 12.124,674 11.1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 45,718 16,719 1,720 26,722 47,723 17,724 11,725 3,726 3,728 3,729 4,732 3,738 1,740 11,741 6,756 1,757 1,760 21,761 6,762 2,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,823 4,827 24,828 1,833 1,835 2,837 1,850 4.4,855 2,858 13,859 9.383,860 5.444,861 2.78,863 3.163,864 1.443,865 0.957,866 4.693,867 10.3,868 3.555,869 4.216,870 4.912,871 5.589,872 6.172,873 6.585,874 7.027,875 7.48,876 7.76,877 8.05,878 0.833,879 41,880 8.811,881 3.629,882 7.688,883 16.77,884 13.249,885 2.188,886 52.5,889 1,890 223.651,891 102.044,892 84.908,894 22,897 102.044,898 245.651,899 84.908,900 37.359,901 4.592,902 61.326,903 63.72,904 51.397,905 2.328,906 211.88,908 223.651,909 186.952,910 22,913 117.711,914 127.94,917 45.935,918 90.782,919 50.234,921 223.651,922 106.908,923 102.044,926 223.651,927 27.638,928 76.183,930 105.131,931 223.651,932 106.908,933 102.044,935 0.576,936 0.356,937 0.207,938 0.119,939 18,940 9,941 0.106,942 5,943 1,944 1.133,945 3.415,946 202.114,947 0.133,948 15,949 108.039,954 16.681,955 6.753,956 2.982,957 1.47,958 105.131,959 7.162,960 13.174,964 3.367,965 1.853,966 32.897,967 432.602,968 34,980 45.232,981 51.232,983 0.291,984 0.66,985 0.814,986 0.874,987 0.874,988 0.874,989 4.796,990 1.135,991 5.727,992 3.997,993 4.317,994 4.902,995 1.376,996 6.608,997 4.206,998 6.031,999 1,1000 7.331,1001 2.771,1002 4.007,1003 4.856,1005 7.667,1006 3.871,1007 7.367,1008 0.799,1009 9.039,1010 2.126,1011 5.969,1012 7.226,1013 1.159,1014 10.813,1015 5.771,1016 8.748,1017 0.502,1018 10.808,1019 1.827,1020 6.494,1021 8.043,1023 12.71,1024 6.269,1025 10.165,1026 -0.108,1027 12.614,1028 0.781,1029 7.946,1030 9.897,1031 0.963,1032 15.392,1033 7.676,1034 11.609,1035 -0.302,1036 14.447,1037 -0.183,1038 8.84,1039 11.11,1041 17.63,1042 8.538,1043 13.073,1044 -0.715,1045 16.299,1046 -0.691,1047 10.107,1048 12.766,1049 0.787,1050 20.167,1051 9.768,1052 3.339,1053 -0.805,1054 18.165,1055 -1.454,1056 11.164,1057 14.161,1059 22.549,1060 10.791,1061 2.895,1062 12.088,1063 20.043,1064 -2,1065 12.369,1066 15.742,1067 0.634,1068 25.044,1069 11.961,1070 2.549,1071 9.331,1072 21.931,1073 4.732,1074 13.499,1075 17.22,1077 27.487,1078 13.056,1079 2.357,1080 8.541,1081 23.826,1082 3.917,1083 14.686,1084 18.776,1085 0.504,1086 29.973,1087 14.21,1088 1.744,1089 7.446,1090 25.729,1091 3.22,1092 15.849,1093 20.292,1095 32.442,1096 15.338,1097 1.669,1098 4.819,1099 27.637,1100 3.113,1101 17.035,1102 21.84,1103 0.395,1104 34.927,1105 16.49,1106 1.522,1107 4.436,1108 29.55,1109 2.261,1110 18.214,1111 23.374,1113 37.408,1114 17.634,1115 5409,1116 8904,1117 16.819,1118 29.029,1119 39.297,1120 39.738,1121 41.772,1122 38.998,1123 39.022,1124 51.506,1125 3.44,1126 116.323,1127 36.721,1128 5.485,1129 5.383,1130 6.805,1131 5.375,1132 5.339,1133 7.732,1134 1.72,1135 19.555,1136 5.218,1137 13.734,1138 1.511,1139 1.528,1140 1.607,1141 1.5,1142 1.501,1143 1.981,1144 0.132,1145 4.474,1146 1.412,1147 4.134,1148 4.18,1149 4.117,1150 3.994,1151 5.257,1152 4.017,1153 3.86,1154 3.88,1155 3.816,1156 3.737,1157 4.937,1158 3.754,1159 3.577,1160 3.655,1161 3.445,1162 3.407,1163 4.833,1164 3.4,1165 3.465,1166 3.535,1167 3.289,1168 3.26,1169 4.515,1170 3.252,1171 3.272,1172 3.337,1173 3.13,1174 3.008,1175 4.478,1176 3.031,1177 3.158,1178 3.247,1179 3.004,1180 2.915,1181 4.262,1182 2.927,1183 2.998,1184 3.106,1185 2.875,1186 2.692,1187 4.038,1188 2.729,1189 2.874,1190 3.009,1191 2.651,1192 2.637,1193 3.722,1194 2.624,1195 0.183,1196 0.13,1197 0.271,1198 0.165,1199 0.128,1200 4.76,1201 0.182,1202 3.383,1203 0.033,1204 7.039,1205 0.465,1206 4.302,1207 0.124,1208 3.339,1209 4.732,1210 0.86,1211 12.088,1212 3.218,1213 1.927,1214 1.91,1215 1.996,1216 2.04,1217 1.155,1218 2.022,1219 1.796,1220 1.75,1221 1.945,1222 1.992,1223 1.118,1224 1.975,1225 1.614,1226 1.552,1227 1.804,1228 1.823,1229 0.937,1230 1.821,1231 1.455,1232 1.381,1233 1.754,1234 1.691,1235 0.826,1236 1.722,1237 1.213,1238 1.147,1239 1.57,1240 1.521,1241 0.574,1242 1.535,1243 1.102,1244 1.032,1245 1.417,1246 1.382,1247 0.469,1248 1.359,1249 0.934,1250 0.804,1251 1.25,1252 1.239,1253 0.267,1254 1.308,1255 0.872,1256 0.781,1257 1.151,1258 1.21,1259 0.144,1260 1.198,1261 3.97,1263 5.303,1264 2.398,1265 6.847,1266 4.844,1267 8.491,1268 7.081,1269 10.19,1271 7.647,1275 6.096,1277 0.571,1279 11.008,1281 0.153,1289 27.751,1290 71.798,1291 163.02,1292 201.094,1293 216.114,1294 216.114,1295 216.114,1296 35.764,1297 7.137,1298 88.08,1299 88.08,1300 17,1301 12.631,1302 4.087,1303 3.17,1304 39.001,1305 74,1306 90,1307 0.265,1308 173.132,1309 286.98,1310 414.203,1311 10184,1313 17.267,1314 0.719,1315 0.595,1316 17.267,1317 14.277,1318 11.562,1319 0.445,1320 0.302,1321 7.709,1322 10.937,1323 7.41,1324 6.236,1325 11.562,1326 7.863,1327 10.247,1328 0.277,1329 0.153,1330 10.247,1331 5.643,1332 8.763,1333 0.169,1334 0.072,1335 8.763,1336 3.744,1337 7.644,1338 0.106,1339 0.037,1340 7.644,1341 2.647,1342 6.304,1343 0.068,1344 0.019,1345 6.304,1346 1.81,1347 0.399,1348 73.539,1349 0.244,1350 22.805,1351 0.778,1352 126,1353 385.364,1354 141.858,1355 366.659,1356 514.29,1357 346,1358 152,1359 396.293,1360 169.053,1361 397.613,1362 586.69,1363 373,1364 5.352}
{0 CHEMBL1242475,1 1.489,2 7.958,3 2.746,4 7.539,5 93.824,6 7.79,7 0.714,8 3.866,9 4.004,10 3.492,11 3.404,12 4.966,13 3.402,14 4.405,15 4.58,16 3.884,17 3.845,18 5.429,19 3.819,20 4.641,21 4.872,22 3.874,23 3.909,24 5.589,25 3.85,26 4.635,27 4.885,28 3.874,29 3.859,30 5.658,31 3.814,32 4.511,33 4.726,34 3.759,35 3.83,36 5.506,37 3.778,38 4.498,39 4.699,40 3.751,41 3.834,42 5.538,43 3.771,44 4.587,45 4.831,46 3.614,47 3.787,48 5.545,49 3.683,50 4.527,51 4.825,52 3.26,53 3.571,54 5.415,55 3.405,56 0.086,57 0.723,58 7.985,59 3.216,60 9.569,61 4.324,62 0.154,63 1.169,64 15.04,65 5.759,66 16.109,67 8.008,68 0.194,69 1.331,70 21.634,71 7.235,72 22.234,73 10.687,74 0.374,75 1.312,76 22.52,77 6.586,78 34.743,79 9.862,80 0.219,81 1.202,82 18.277,83 5.757,84 24.244,85 8.338,86 0.206,87 1.201,88 17.375,89 6.05,90 25.023,91 8.572,92 0.235,93 1.2,94 20.917,95 6.977,96 28.778,97 10.276,98 0.366,99 1.004,100 22.221,101 7.142,102 40.257,103 10.767,104 2,105 41,106 0.257,107 0.658,108 0.78,109 0.834,110 0.834,111 0.834,112 3.231,113 0.882,114 -4.58,115 -4.5,116 -4.23,118 41.5,120 4,126 1,138 3,139 3,141 1,142 1,143 1,144 1,148 1,156 1,158 1,159 1,160 1,161 1,163 1,167 7,170 2,171 8,172 1,173 1,175 3,178 8,180 1,181 1,182 9,186 2,188 4,191 2,192 12,194 3,195 3,197 2,199 4,201 1,204 8,208 2,211 4,213 2,214 1,215 7,218 1,220 5,223 6,225 4,227 1,228 2,231 1,233 2,235 8,237 2,239 2,242 1,243 3,244 1,246 1,247 4,252 2,257 2,264 760,265 16.792,266 16.792,267 16.792,268 16.792,269 16.792,270 14.548,271 9.487,272 9.779,273 17.101,274 13.858,275 13.858,276 13.858,277 13.858,278 13.858,279 10.422,280 7.5,281 4.637,282 14.365,283 3.869,284 1.552,285 0.848,286 0.537,287 0.537,288 0.537,289 3.945,292 1,293 1,294 1,295 437,296 2.121,299 139.283,300 102.98,303 160.199,307 1.135,308 16.919,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51.5,320 191,321 4.766,322 3.389,323 7.051,324 4.312,325 3.349,326 4.738,328 12.147,329 3.23,330 4.415,331 2.95,332 6.293,333 3.916,334 2.936,335 4.353,337 9.503,338 2.875,339 3.904,340 2.766,341 6.145,342 3.645,343 2.677,344 3.312,346 8.961,347 2.59,348 3.761,349 2.405,350 5.751,351 3.345,352 2.38,353 3.198,355 7.634,356 2.297,357 3.239,358 2.038,359 5.079,360 2.949,361 1.996,362 2.366,364 5.69,365 1.899,366 3.051,367 1.552,368 4.519,369 2.519,370 1.552,371 2.322,373 4.384,374 1.508,375 3.033,376 1.533,377 4.333,378 2.491,379 1.533,380 2.3,382 4.052,383 1.455,384 2.654,385 1.41,386 4.234,387 2.309,388 1.345,389 1.72,391 3.529,392 1.292,393 2.601,394 1.154,395 3.672,396 2.1,397 1.151,398 1.636,400 2.661,401 1.09,402 2.411,403 0.973,404 3.431,405 1.921,406 0.966,407 1.376,409 2.308,410 0.92,411 1.911,412 0.702,413 3.248,414 1.661,415 0.683,416 0.792,417 1.74,418 0.667,419 1.837,420 0.618,421 3.036,422 1.618,423 0.618,424 0.618,425 1.372,426 0.618,427 1.618,428 0.4,429 3,430 1.363,431 0.395,432 0.584,433 0.983,434 0.382,435 1.061,436 -0.153,437 2.652,438 0.63,439 -0.286,440 -0.364,441 -0.672,442 -0.261,443 0.846,444 -0.589,445 2.461,446 0.388,447 -0.59,448 -0.817,449 -1.644,450 -0.575,451 11.3,452 0.471,453 0.534,454 0.022,455 33,456 1.375,457 16.5,458 0.688,459 16.5,460 0.688,461 18.386,462 0.766,463 24.7,464 0.602,465 21.618,466 0.901,467 6.026,468 0.251,469 5.783,470 0.241,471 0.035,473 0.389,478 0.839,479 1.147,480 0.735,481 0.941,482 0.91,483 0.842,484 0.795,485 1.154,486 0.803,487 1.024,488 0.612,489 0.934,490 0.927,491 1.211,492 0.881,493 1.064,494 0.666,495 0.982,496 1.079,497 0.85,498 0.862,499 0.751,500 0.958,501 0.768,502 1.355,503 1.074,504 1.118,505 0.977,506 1.173,507 1.004,508 1.119,509 1.161,510 1.17,511 1.189,512 1.335,513 1.188,514 0.983,515 1.148,516 1.153,517 1.232,518 1.357,519 1.222,520 0.684,521 0.714,522 1.053,523 1.019,524 1.027,525 1.082,526 3.5,528 2.889,529 1.764,530 1.522,531 0.716,532 0.469,533 0.348,534 0.148,535 0.047,536 6351,537 15055,538 2.262,539 41.5,540 4,541 4,543 2,544 3,546 4,549 1.676,550 2.182,551 3.02,552 1.039,553 1,554 1,556 1,558 61.034,559 1.489,560 3.805,561 4.51,562 4.821,563 4.821,564 4.821,565 2.44,566 4.22,567 4.558,568 3.145,569 868.043,570 7.902,571 9735.16,572 1,573 1,575 1,576 219.66,577 1.175,578 4.543,579 0.125,581 0.07,582 0.045,583 0.039,584 0.02,585 0.014,586 0.012,587 0.008,588 0.005,589 0.339,590 0.33,591 0.88,592 0.382,593 110.695,594 0.07,595 0.047,596 0.066,597 0.052,599 0.057,600 0.093,601 -0.046,602 0.056,603 -0.025,604 0.153,605 0.003,606 -0.003,607 -0.224,608 0.072,609 -0.075,610 0.144,611 -0.004,612 0.056,613 0.154,614 0.134,615 0.183,616 0.104,617 0.173,618 -0.321,619 -0.014,620 -0.195,621 -0.023,622 -0.208,623 -0.078,624 -0.155,625 -0.091,626 -0.275,627 -0.219,628 -0.218,629 -0.258,630 -0.052,631 -0.184,632 -0.186,633 -0.249,634 -0.212,635 -0.241,636 0.248,637 0.138,638 0.006,639 -0.028,640 0.091,641 -0.046,642 1.188,643 2.176,644 0.958,645 17.167,646 1.003,647 1.136,648 3.347,649 11.2,650 0.679,651 3.367,652 3.738,653 4.111,654 4.466,655 4.682,656 4.883,657 5.081,658 5.268,659 5.328,660 5.384,661 5.036,662 0.653,663 319.41,664 3.367,665 4.934,666 5.832,667 6.746,668 7.662,669 8.584,670 9.507,671 10.433,672 11.359,673 12.288,674 17.1,678 1,682 2,684 4,689 4,690 5,691 4,692 1,695 3,696 1,697 20,708 1,716 41,718 20,719 1,720 28,722 45,723 17,724 12,725 3,726 3,728 5,729 7,735 5,738 5,740 12,741 5,756 1,757 1,760 17,761 5,762 3,763 7,769 7,775 0.6,785 2,788 1,793 3,794 2,797 2,819 3,827 24,828 1,833 4,837 1,858 11,859 7.333,860 5.111,861 2.626,863 3.983,864 1.515,865 1.079,866 3.068,867 11.719,868 3.664,869 4.363,870 5.091,871 5.796,872 6.355,873 6.837,874 7.362,875 7.89,876 8.22,877 8.651,878 1,879 39,880 8.845,881 3.915,882 7.563,883 17.239,884 15.03,885 2.063,886 49.5,889 1,890 164.795,891 73.509,892 118.234,897 73.509,898 164.795,899 118.234,901 10.138,902 61.326,903 92.155,904 47.194,905 4.472,906 141.253,908 164.795,909 191.742,913 117.711,914 47.084,917 50.716,918 74.129,919 66.897,921 164.795,922 118.234,923 73.509,926 164.795,927 27.414,928 47.871,929 16.663,930 99.794,931 164.795,932 118.234,933 73.509,935 0.589,936 0.362,937 0.212,938 0.108,939 24,940 9,941 0.044,942 2,943 2,944 1.174,945 3.633,946 219.375,947 0.174,948 23,949 106.039,954 13.937,955 5.283,956 2.139,957 3.72,958 99.794,959 9.459,960 17.638,961 2.972,964 2.33,965 2.051,966 49.56,967 356.538,968 38,980 41.131,981 46.564,983 0.278,984 0.71,985 0.842,986 0.9,987 0.9,988 0.9,989 4.913,990 1.345,991 5.826,992 4.052,993 4.419,994 5.05,996 6.706,997 4.351,998 6.145,999 1.151,1000 7.419,1001 3.529,1002 4.007,1003 4.956,1005 7.722,1006 3.908,1007 7.481,1008 0.966,1009 9.116,1010 2.661,1011 6.066,1012 7.401,1014 10.895,1015 5.935,1016 8.863,1017 0.683,1018 10.877,1019 2.308,1020 6.553,1021 8.224,1023 12.785,1024 6.39,1025 10.282,1026 0.618,1027 12.678,1028 1.74,1029 8.038,1030 10.1,1032 15.47,1033 7.844,1034 11.728,1035 0.395,1036 14.509,1037 1.372,1038 8.916,1039 11.326,1041 17.706,1042 8.689,1043 13.194,1044 -0.286,1045 16.359,1046 0.983,1047 10.195,1048 12.989,1050 20.243,1051 9.935,1052 3.349,1053 -0.59,1054 18.225,1055 -0.672,1056 11.245,1057 14.392,1059 22.624,1060 10.95,1061 2.936,1062 12.147,1063 20.102,1064 -1.644,1065 12.454,1066 15.973,1068 25.12,1069 12.125,1070 2.677,1071 9.503,1072 21.99,1073 4.738,1074 13.579,1075 17.452,1077 27.562,1078 13.214,1079 2.38,1080 8.961,1081 23.885,1082 4.353,1083 14.768,1084 19.004,1086 30.05,1087 14.367,1088 1.996,1089 7.634,1090 25.787,1091 3.312,1092 15.928,1093 20.516,1095 32.52,1096 15.49,1097 1.552,1098 5.69,1099 27.695,1100 3.198,1101 17.114,1102 22.058,1104 35.008,1105 16.64,1106 1.533,1107 4.384,1108 29.608,1109 2.366,1110 18.292,1111 23.586,1113 37.491,1114 17.78,1115 5770,1116 9038,1117 19.592,1118 27.847,1119 43.113,1120 43.039,1121 43.439,1122 43.228,1123 43.162,1124 58.631,1126 129.925,1127 41.644,1128 5.668,1129 5.389,1130 6.646,1131 5.388,1132 5.349,1133 7.738,1135 19.687,1136 5.23,1137 5.845,1138 1.54,1139 1.537,1140 1.551,1141 1.544,1142 1.541,1143 2.094,1145 4.64,1146 1.487,1147 4.175,1148 4.219,1149 4.15,1150 4.055,1151 5.259,1152 4.071,1153 4.02,1154 4.072,1155 3.986,1156 3.87,1157 5.087,1158 3.892,1159 3.793,1160 3.851,1161 3.667,1162 3.674,1163 4.856,1164 3.667,1165 3.392,1166 3.463,1167 3.337,1168 3.195,1169 4.531,1170 3.221,1171 3.216,1172 3.307,1173 3.132,1174 2.951,1175 4.316,1176 2.984,1177 2.997,1178 3.091,1179 2.887,1180 2.829,1181 4.142,1182 2.832,1183 2.914,1184 2.997,1185 2.785,1186 2.671,1187 3.77,1188 2.691,1189 2.869,1190 2.979,1191 2.583,1192 2.669,1193 3.666,1194 2.635,1195 0.17,1196 0.121,1197 0.252,1198 0.154,1199 0.12,1200 4.766,1201 0.169,1202 3.389,1204 7.051,1205 0.434,1206 4.312,1207 0.115,1208 3.349,1209 4.738,1211 12.147,1212 3.23,1213 1.966,1214 1.946,1215 2.035,1216 2.049,1217 1.244,1218 2.042,1219 1.802,1220 1.757,1221 1.894,1222 1.991,1223 1.211,1224 1.964,1225 1.596,1226 1.538,1227 1.86,1228 1.793,1229 1.187,1230 1.793,1231 1.577,1232 1.507,1233 1.756,1234 1.751,1235 0.874,1236 1.785,1237 1.311,1238 1.23,1239 1.465,1240 1.637,1241 0.409,1242 1.591,1243 1.181,1244 1.13,1245 1.288,1246 1.391,1247 0.363,1248 1.371,1249 0.916,1250 0.823,1251 1.179,1252 1.244,1253 0.124,1254 1.236,1255 0.785,1256 0.71,1257 1.049,1258 1.092,1259 0.094,1260 1.086,1261 4.043,1263 5.398,1264 3.434,1265 6.948,1266 5.733,1267 8.592,1268 7.803,1269 10.289,1275 6.176,1277 4.758,1281 0.396,1289 26.784,1290 61.034,1291 156.011,1292 184.905,1293 197.66,1294 197.66,1295 197.66,1296 27.989,1297 7.736,1298 98.3,1299 98.3,1300 27,1301 12.792,1302 4.392,1303 3.459,1304 30.081,1305 71,1306 66,1307 0.208,1308 161.014,1309 253.14,1310 384.635,1311 22600,1313 16.096,1314 0.671,1315 0.546,1316 16.096,1317 13.106,1318 11.81,1319 0.422,1320 0.294,1321 8.122,1322 11.355,1323 8.01,1324 6.598,1325 11.81,1326 8.233,1327 10.782,1328 0.263,1329 0.155,1330 10.782,1331 6.361,1332 9.878,1333 0.165,1334 0.082,1335 9.878,1336 4.902,1337 8.93,1338 0.104,1339 0.043,1340 8.93,1341 3.691,1342 6.856,1343 0.064,1344 0.02,1345 6.856,1346 2.163,1347 0.312,1348 73.955,1349 0.226,1350 22.753,1351 0.622,1352 138,1353 353.871,1354 150.545,1355 352.095,1356 505.89,1357 332,1358 170,1359 404.392,1360 184.543,1361 408.244,1362 604.86,1363 386,1364 5.699}
{0 CHEMBL1242476,1 1.526,2 8.043,3 1.585,4 2.512,5 90.282,6 7.907,7 0.769,8 3.813,9 3.963,10 3.433,11 3.297,12 5.005,13 3.31,14 4.297,15 4.482,16 3.836,17 3.702,18 5.422,19 3.702,20 4.48,21 4.684,22 3.886,23 3.802,24 5.616,25 3.789,26 4.593,27 4.828,28 3.843,29 3.824,30 5.706,31 3.781,32 4.499,33 4.73,34 3.644,35 3.746,36 5.527,37 3.678,38 4.41,39 4.627,40 3.62,41 3.676,42 5.497,43 3.61,44 4.477,45 4.746,46 3.423,47 3.576,48 5.526,49 3.468,50 4.327,51 4.643,52 3.168,53 3.294,54 5.231,55 3.163,56 0.119,57 0.693,58 7.56,59 2.701,60 12.564,61 3.759,62 0.204,63 1.063,64 13.617,65 4.756,66 18.867,67 6.859,68 0.254,69 1.208,70 17.012,71 5.114,72 23.258,73 7.69,74 0.381,75 1.247,76 20.543,77 5.976,78 37.015,79 9.08,80 0.295,81 1.115,82 18.469,83 5.548,84 29.305,85 8.353,86 0.208,87 1.045,88 16.245,89 5.49,90 23.469,91 8.146,92 0.371,93 0.975,94 19.686,95 5.723,96 43.663,97 8.835,98 0.31,99 0.747,100 19.085,101 5.354,102 28.858,103 8.687,104 18,105 39,106 0.268,107 0.684,108 0.791,109 0.83,110 0.83,111 0.83,112 3.19,113 0.841,114 -4.01,115 -3.96,116 -3.75,118 38.5,119 2,126 1,138 3,139 3,142 2,143 1,144 1,149 1,156 1,158 2,159 2,160 2,161 1,163 1,167 4,170 2,171 9,172 1,173 1,174 1,175 3,177 1,178 6,180 2,181 1,182 7,183 1,184 1,186 3,188 4,190 1,191 2,192 8,194 3,195 3,197 5,199 3,201 3,203 1,204 7,208 3,211 3,213 3,214 1,215 5,218 1,220 4,223 4,225 3,227 2,228 2,230 2,231 3,233 2,235 2,237 2,240 2,242 1,243 3,244 1,246 1,247 2,254 2,255 2,256 1,257 2,259 2,263 1,264 671,265 15.43,266 15.43,267 15.43,268 15.43,269 15.43,270 13.141,271 12.649,272 8.731,273 15.788,274 12.805,275 12.805,276 12.805,277 12.805,278 12.805,279 9.279,280 10,281 4.091,282 13.369,283 3.759,284 1.385,285 0.776,286 0.552,287 0.552,288 0.552,289 3.883,292 1,293 1,294 1,295 406,296 2.739,299 86.762,300 100.078,303 156.288,307 1.18,308 19.295,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 50,320 185,321 4.765,322 3.377,323 7.04,324 4.306,325 3.341,326 4.741,328 12.089,329 3.225,330 4.521,331 3.082,332 6.496,333 4.026,334 3.052,335 4.477,337 10.114,338 2.969,339 3.889,340 2.688,341 6.132,342 3.544,343 2.584,344 3.361,346 8.742,347 2.479,348 3.766,349 2.469,350 5.747,351 3.371,352 2.412,353 3.188,355 7.555,356 2.31,357 3.241,358 1.893,359 4.958,360 2.761,361 1.816,362 2.559,364 5.389,365 1.713,366 3.05,367 1.808,368 4.817,369 2.679,370 1.739,371 2.32,373 4.817,374 1.632,375 3.014,376 1.546,377 4.424,378 2.507,379 1.546,380 2.138,382 4.069,383 1.483,384 2.803,385 1.357,386 4.113,387 2.291,388 1.338,389 1.94,391 3.505,392 1.271,393 2.495,394 1.036,395 3.859,396 1.986,397 1.033,398 1.492,400 2.738,401 0.982,402 2.146,403 0.838,404 3.489,405 1.77,406 0.806,407 1.042,409 2.035,410 0.775,411 2.06,412 0.65,413 3.207,414 1.593,415 0.614,416 0.879,417 1.459,418 0.6,419 1.064,420 -0.142,421 2.688,422 0.644,423 -0.279,424 -0.353,425 -0.655,426 -0.256,427 0.922,428 -0.348,429 2.425,430 0.508,431 -0.449,432 -0.583,433 -1.104,434 -0.43,435 0.757,436 -0.646,437 2.262,438 0.283,439 -0.678,440 -0.939,441 -1.961,442 -0.647,443 0.606,444 -0.797,445 2.229,446 0.096,447 -0.844,448 -1,449 -2,450 -0.791,451 10.7,452 0.465,453 0.699,454 0.03,455 32.75,456 1.424,457 17,458 0.739,459 15.75,460 0.685,461 16.841,462 0.732,463 24.1,464 0.618,465 22.815,466 0.992,467 6.293,468 0.274,469 4.766,470 0.207,471 0.168,473 0.458,478 0.985,479 1.187,480 0.766,481 0.918,482 1.229,483 0.82,484 0.732,485 1.131,486 0.63,487 0.901,488 0.569,489 0.771,490 1.117,491 1.232,492 0.895,493 0.989,494 0.82,495 0.915,496 1.03,497 0.993,498 0.983,499 0.963,500 0.934,501 0.964,502 1.205,503 1.042,504 1.177,505 1.072,506 1.035,507 1.111,508 0.891,509 1.286,510 1.076,511 1.319,512 0.973,513 1.246,514 0.934,515 0.908,516 1.154,517 1.118,518 1.249,519 1.167,520 0.584,521 0.838,522 0.754,523 0.906,524 0.646,525 0.869,526 4.5,527 0.012,528 3.333,529 2.458,530 1.722,531 0.834,532 0.54,533 0.345,534 0.285,535 0.119,536 5184,537 13963,538 2.115,539 41,541 4,543 1,544 5,546 6,549 1.663,550 1.944,551 3.006,552 2.761,553 1,554 1,556 1,558 59.527,559 1.526,560 3.9,561 4.509,562 4.734,563 4.734,564 4.734,565 2.442,566 4.35,567 4.497,568 3.131,569 792.072,570 7.772,571 8595.36,572 1,573 1,575 1,576 206.131,577 1.491,578 4.44,579 0.173,580 0.004,581 0.085,582 0.061,583 0.047,584 0.028,585 0.019,586 0.016,587 0.017,588 0.012,589 0.461,590 0.33,591 1,592 0.832,593 104.594,594 -0.045,595 0.048,596 0.033,597 0.087,598 -0.269,599 0.077,600 0.167,601 -0.001,602 0.235,603 0.118,604 0.174,605 0.177,606 -0.125,607 -0.134,609 -0.017,610 0.031,611 0.01,612 -0.011,613 0.032,614 -0.034,615 -0.003,616 0.015,617 -0.02,618 -0.26,619 -0.018,620 -0.245,621 -0.088,622 -0.177,623 -0.151,624 -0.034,625 -0.255,626 -0.168,627 -0.301,628 -0.059,629 -0.266,630 0.045,631 0.016,632 -0.149,633 -0.152,634 -0.152,635 -0.181,636 0.328,637 -0.066,638 0.348,639 0.088,640 0.26,641 0.2,642 1.251,643 2.078,644 0.783,645 15.905,646 1.009,647 1.145,648 2.78,649 7.727,650 0.669,651 3.296,652 3.689,653 4.043,654 4.382,655 4.615,656 4.771,657 4.913,658 5.069,659 5.13,660 5.204,661 4.952,662 0.648,663 308.39,664 3.296,665 4.875,666 5.771,667 6.693,668 7.609,669 8.536,670 9.459,671 10.387,672 11.312,673 12.241,674 20.5,678 2,682 2,684 4,689 4,690 4,691 4,692 1,695 4,696 1,697 20,708 2,716 39,718 20,719 1,720 26,722 42,723 15,724 12,725 3,726 3,728 4,729 6,732 2,738 1,740 12,741 3,756 1,757 1,760 16,761 6,762 5,763 8,769 8,775 0.5,785 2,788 1,793 2,794 2,797 2,819 2,823 2,827 23,828 2,837 1,858 11.833,859 7.583,860 4.889,861 2.255,863 4.051,864 1.542,865 1.049,866 3.078,867 11.528,868 3.611,869 4.35,870 5.089,871 5.798,872 6.362,873 6.826,874 7.337,875 7.86,876 8.208,877 8.642,878 1,879 40,880 8.419,881 3.654,882 7.725,883 15.954,884 13.319,885 2.225,886 51.167,890 129.482,891 74.301,892 151.131,897 74.301,898 129.482,899 151.131,900 17.65,902 94.223,903 80.383,904 42.618,905 2.328,906 117.711,908 129.482,909 225.432,913 58.856,914 70.627,917 53.653,918 104.883,919 66.897,921 129.482,922 151.131,923 74.301,926 129.482,927 19.604,928 56.474,929 16.663,930 132.691,931 129.482,932 151.131,933 74.301,935 0.6,936 0.366,937 0.207,938 0.113,939 22,940 10,941 0.048,942 2,943 2,944 1.222,945 3.401,946 201.468,947 0.222,948 18,949 102.042,954 14.121,955 5.013,956 2.088,957 3.14,958 132.691,959 7.261,960 17.348,961 2.78,964 2.607,965 1.853,966 82.457,967 354.914,968 36,980 39.349,981 44.647,983 0.289,984 0.738,985 0.853,986 0.896,987 0.896,988 0.896,989 4.868,990 1.338,991 5.796,992 4.069,993 4.369,994 5.037,996 6.696,997 4.29,998 6.134,999 1.033,1000 7.413,1001 3.505,1002 4.111,1003 5.047,1005 7.763,1006 4.001,1007 7.488,1008 0.806,1009 9.13,1010 2.738,1011 6.047,1012 7.431,1014 10.916,1015 5.9,1016 8.884,1017 0.614,1018 10.904,1019 2.035,1020 6.608,1021 8.299,1023 12.819,1024 6.432,1025 10.315,1026 -0.279,1027 12.716,1028 1.459,1029 8.05,1030 10.159,1032 15.501,1033 7.84,1034 11.77,1035 -0.449,1036 14.553,1037 -0.655,1038 8.965,1039 11.409,1041 17.738,1042 8.725,1043 13.246,1044 -0.678,1045 16.408,1046 -1.104,1047 10.23,1048 13.068,1050 20.27,1051 9.958,1052 3.341,1053 -0.844,1054 18.277,1055 -1.961,1056 11.298,1057 14.485,1059 22.646,1060 10.993,1061 3.052,1062 12.089,1063 20.158,1064 -2,1065 12.502,1066 16.067,1068 25.133,1069 12.165,1070 2.584,1071 10.114,1072 22.047,1073 4.741,1074 13.635,1075 17.554,1077 27.568,1078 13.265,1079 2.412,1080 8.742,1081 23.944,1082 4.477,1083 14.821,1084 19.108,1086 30.045,1087 14.418,1088 1.816,1089 7.555,1090 25.847,1091 3.361,1092 15.984,1093 20.625,1095 32.506,1096 15.546,1097 1.739,1098 5.389,1099 27.755,1100 3.188,1101 17.167,1102 22.17,1104 34.984,1105 16.695,1106 1.546,1107 4.817,1108 29.668,1109 2.559,1110 18.344,1111 23.7,1113 37.458,1114 17.837,1115 4960,1116 8274,1117 17.224,1118 26.091,1119 41.038,1120 40.471,1121 42.566,1122 40.6,1123 40.56,1124 56.276,1126 125.023,1127 38.88,1128 5.439,1129 5.377,1130 6.568,1131 5.378,1132 5.341,1133 7.741,1135 19.561,1136 5.225,1137 11.753,1138 1.578,1139 1.557,1140 1.637,1141 1.562,1142 1.56,1143 2.164,1145 4.809,1146 1.495,1147 4.168,1148 4.212,1149 4.147,1150 4.048,1151 5.276,1152 4.066,1153 4.014,1154 4.067,1155 3.989,1156 3.851,1157 5.219,1158 3.88,1159 3.578,1160 3.656,1161 3.445,1162 3.411,1163 4.872,1164 3.403,1165 3.432,1166 3.502,1167 3.365,1168 3.233,1169 4.734,1170 3.261,1171 3.13,1172 3.231,1173 3.016,1174 2.869,1175 4.514,1176 2.897,1177 2.987,1178 3.094,1179 2.867,1180 2.77,1181 4.287,1182 2.778,1183 2.943,1184 3.042,1185 2.821,1186 2.672,1187 4.046,1188 2.707,1189 2.874,1190 3.009,1191 2.499,1192 2.618,1193 3.703,1194 2.57,1195 0.183,1196 0.13,1197 0.271,1198 0.166,1199 0.128,1200 4.765,1201 0.182,1202 3.377,1204 7.04,1205 0.465,1206 4.306,1207 0.124,1208 3.341,1209 4.741,1211 12.089,1212 3.225,1213 1.959,1214 1.94,1215 2.023,1216 2.044,1217 1.181,1218 2.033,1219 1.807,1220 1.76,1221 1.946,1222 1.995,1223 1.14,1224 1.98,1225 1.622,1226 1.558,1227 1.78,1228 1.822,1229 0.863,1230 1.82,1231 1.399,1232 1.317,1233 1.541,1234 1.742,1235 0.469,1236 1.691,1237 1.139,1238 1.07,1239 1.417,1240 1.409,1241 0.463,1242 1.376,1243 0.934,1244 0.843,1245 1.247,1246 1.249,1247 0.224,1248 1.308,1249 0.923,1250 0.804,1251 1.169,1252 1.239,1253 0.139,1254 1.232,1255 0.832,1256 0.746,1257 1.117,1258 1.15,1259 0.032,1260 1.147,1261 3.97,1263 5.342,1264 3.045,1265 6.909,1266 5.476,1267 8.566,1268 7.644,1269 10.272,1271 4.095,1275 11.924,1281 0.158,1289 25.278,1290 59.527,1291 152.115,1292 175.866,1293 184.621,1294 184.621,1295 184.621,1296 29.688,1297 7.477,1298 124.32,1299 124.32,1300 22,1301 12.745,1302 4.392,1303 3.459,1304 31.661,1305 67,1306 70,1307 0.236,1308 156.017,1309 241.9,1310 372.442,1311 16190,1313 16.137,1314 0.702,1315 0.556,1316 16.137,1317 12.778,1318 11.059,1319 0.425,1320 0.28,1321 7.167,1322 10.567,1323 6.962,1324 5.812,1325 11.059,1326 7.286,1327 10.509,1328 0.269,1329 0.147,1330 10.509,1331 5.714,1332 9.204,1333 0.164,1334 0.069,1335 9.204,1336 3.865,1337 8.126,1338 0.103,1339 0.035,1340 8.126,1341 2.737,1342 6.539,1343 0.065,1344 0.018,1345 6.539,1346 1.828,1347 0.354,1348 69.691,1349 0.241,1350 21.864,1351 0.701,1352 130,1353 357.183,1354 143.96,1355 356.887,1356 509.28,1357 334,1358 160,1359 408.589,1360 175.57,1361 413.113,1362 610.03,1363 389,1364 5.886}
{0 CHEMBL1242477,1 1.511,2 7.364,3 2.207,4 4.871,5 86.329,6 7.929,7 0.8,8 3.758,9 3.9,10 3.391,11 3.27,12 4.926,13 3.277,14 4.252,15 4.435,16 3.78,17 3.669,18 5.356,19 3.666,20 4.422,21 4.628,22 3.803,23 3.757,24 5.502,25 3.733,26 4.505,27 4.735,28 3.781,29 3.759,30 5.604,31 3.717,32 4.428,33 4.657,34 3.6,35 3.691,36 5.442,37 3.628,38 4.339,39 4.542,40 3.585,41 3.635,42 5.452,43 3.574,44 4.449,45 4.723,46 3.338,47 3.543,48 5.462,49 3.423,50 4.262,51 4.586,52 2.994,53 3.222,54 5.108,55 3.062,56 0.093,57 0.654,58 6.959,59 2.72,60 9.525,61 3.657,62 0.175,63 1.011,64 12.906,65 4.568,66 16.731,67 6.44,68 0.198,69 1.135,70 16.107,71 5.181,72 18.153,73 7.528,74 0.33,75 1.174,76 18.558,77 5.689,78 31.366,79 8.345,80 0.258,81 1.064,82 17.084,83 5.267,84 24.256,85 7.695,86 0.176,87 1.011,88 14.504,89 5.071,90 21.266,91 7.251,92 0.344,93 0.97,94 19.334,95 5.728,96 40.699,97 8.65,98 0.26,99 0.71,100 18.216,101 5.482,102 26.447,103 8.656,104 11,105 37,106 0.268,107 0.689,108 0.807,109 0.83,110 0.83,111 0.83,112 3.149,113 0.849,114 -4.08,115 -4.03,116 -3.82,118 40.5,119 2,126 1,138 3,139 3,142 2,143 1,144 1,147 1,156 1,158 1,159 1,160 1,161 1,163 1,167 4,170 2,171 9,172 1,173 1,175 2,178 6,180 1,181 1,182 7,186 2,188 4,191 2,192 8,194 3,195 3,197 3,199 3,201 1,203 1,204 7,208 2,211 3,213 2,214 1,215 5,218 1,220 4,223 4,225 3,227 2,228 2,230 1,231 2,233 1,235 2,237 1,240 2,243 2,244 1,246 1,247 2,257 2,264 596,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.687,271 9.487,272 8.559,273 15.256,274 12.338,275 12.338,276 12.338,277 12.338,278 12.338,279 8.888,280 7.5,281 4.022,282 12.855,283 3.699,284 1.318,285 0.656,286 0.527,287 0.527,288 0.527,289 3.844,292 1,293 1,294 1,295 358,296 2.646,299 81.99,300 94.212,303 147.247,307 1.091,308 15.944,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47.5,320 162,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.222,330 4.414,331 2.939,332 6.253,333 3.909,334 2.93,335 4.353,337 9.393,338 2.867,339 3.852,340 2.666,341 6.073,342 3.514,343 2.557,344 3.301,346 8.572,347 2.447,348 3.746,349 2.404,350 5.713,351 3.332,352 2.37,353 3.179,355 7.457,356 2.278,357 3.056,358 1.822,359 4.82,360 2.685,361 1.743,362 2.328,364 4.819,365 1.638,366 3.034,367 1.55,368 4.518,369 2.515,370 1.55,371 2.3,373 4.378,374 1.503,375 3.009,376 1.533,377 4.333,378 2.492,379 1.533,380 2.133,382 4.044,383 1.457,384 2.636,385 1.155,386 3.864,387 2.097,388 1.153,389 1.7,391 2.795,392 1.086,393 2.47,394 1,395 3.509,396 1.962,397 1,398 1.457,400 2.398,401 0.959,402 2.133,403 0.837,404 3.419,405 1.77,406 0.806,407 1.036,409 2.014,410 0.775,411 1.885,412 0.401,413 3.036,414 1.369,415 0.396,416 0.588,417 0.984,418 0.385,419 1.061,420 -0.155,421 2.652,422 0.627,423 -0.288,424 -0.367,425 -0.673,426 -0.263,427 0.846,428 -0.59,429 2.424,430 0.376,431 -0.59,432 -0.818,433 -1.644,434 -0.568,435 0.628,436 -0.797,437 2.259,438 0.118,439 -0.841,440 -1,441 -2,442 -0.79,443 0.545,444 -0.907,445 2.206,446 0.046,447 -0.922,448 -1.149,449 -2.365,450 -0.906,451 10.3,452 0.468,453 0.61,454 0.028,455 31.5,456 1.432,457 16.5,458 0.75,459 15,460 0.682,461 15.688,462 0.713,463 22.7,464 0.614,465 21.054,466 0.957,467 6.045,468 0.275,469 4.602,470 0.209,471 0.136,473 0.427,478 0.866,479 1.193,480 0.733,481 0.96,482 1.064,483 0.847,484 0.834,485 1.114,486 0.676,487 0.875,488 0.638,489 0.77,490 1.101,491 1.208,492 0.888,493 0.983,494 0.832,495 0.913,496 1.011,497 0.969,498 0.959,499 0.939,500 0.985,501 0.94,502 1.247,503 1.017,504 1.152,505 1.016,506 1.053,507 1.058,508 0.992,509 1.324,510 1.153,511 1.348,512 1.19,513 1.291,514 1.033,515 0.876,516 1.204,517 1.083,518 1.512,519 1.158,520 0.546,521 0.796,522 0.77,523 0.904,524 0.528,525 0.881,526 4,528 2.889,529 1.986,530 1.682,531 0.747,532 0.484,533 0.336,534 0.173,535 0.056,536 4631,537 12104,538 2.148,539 40.5,541 4,542 1,543 1,544 3,546 6,549 1.652,550 2,551 2.918,552 1.114,553 1,554 1,556 1,558 55.892,559 1.511,560 3.891,561 4.554,562 4.682,563 4.682,564 4.682,565 2.244,566 4.096,567 4.433,568 3.039,569 701.894,570 7.649,571 7411.73,572 1,573 1,575 1,576 192.75,577 1.437,578 4.388,579 0.16,581 0.078,582 0.054,583 0.048,584 0.026,585 0.017,586 0.017,587 0.012,588 0.009,589 0.421,590 0.67,591 1,592 0.797,593 98.122,594 0.052,595 0.006,596 0.055,597 0.026,598 -0.167,599 0.039,600 0.103,601 -0.007,602 0.191,603 0.11,604 0.159,605 0.156,606 -0.125,607 -0.147,608 0.016,609 -0.015,610 0.014,611 0.018,612 0.042,613 0.056,614 -0.009,615 0.006,616 0.049,617 -0.007,618 -0.254,619 0.001,620 -0.214,621 -0.055,622 -0.136,623 -0.115,624 -0.074,625 -0.276,626 -0.262,627 -0.369,628 -0.105,629 -0.352,630 -0.017,631 0.039,632 -0.181,633 -0.126,634 -0.264,635 -0.173,636 0.329,637 -0.042,638 0.357,639 0.115,640 0.37,641 0.219,642 1.228,643 2.074,644 0.818,645 14.281,646 1.007,647 1.139,648 2.854,649 8.145,650 0.678,651 3.258,652 3.638,653 3.989,654 4.331,655 4.564,656 4.718,657 4.844,658 4.997,659 5.011,660 5.063,661 4.727,662 0.656,663 293.37,664 3.258,665 4.828,666 5.72,667 6.637,668 7.55,669 8.473,670 9.393,671 10.318,672 11.241,673 12.168,674 18.9,678 1,682 2,684 4,689 4,690 5,691 4,692 1,695 3,696 1,697 20,708 1,716 37,718 20,719 1,720 25,722 40,723 15,724 12,725 3,726 3,728 4,729 6,732 2,738 1,740 12,741 3,756 1,757 1,760 15,761 5,762 3,763 7,769 7,775 0.5,785 2,788 1,793 2,794 2,797 2,819 2,823 2,827 22,828 1,837 1,858 11,859 7.333,860 4.694,861 2.214,863 4.036,864 1.548,865 1.045,866 2.876,867 11.394,868 3.584,869 4.311,870 5.047,871 5.756,872 6.317,873 6.781,874 7.281,875 7.804,876 8.115,877 8.545,878 0.8,879 37,880 8.06,881 3.481,882 7.659,883 15.387,884 12.837,885 2.159,886 47.5,890 141.253,891 81.021,892 118.234,897 81.021,898 141.253,899 118.234,900 17.65,902 70.373,903 80.383,904 40.291,905 14.099,906 117.711,908 141.253,909 199.255,913 70.627,914 70.627,917 51.325,918 81.033,919 66.897,921 141.253,922 118.234,923 81.021,926 141.253,927 17.276,928 65.522,929 16.663,930 99.794,931 141.253,932 118.234,933 81.021,935 0.595,936 0.361,937 0.208,938 0.113,939 21,940 9,941 0.05,942 2,943 2,944 1.222,945 3.351,946 189.252,947 0.222,948 18,949 96.107,954 13.225,955 4.784,956 1.994,957 3.478,958 99.794,959 9.343,960 17.394,961 2.863,964 2.172,965 1.872,966 49.56,967 340.508,968 35,980 37.247,981 42.149,983 0.29,984 0.747,985 0.874,986 0.899,987 0.899,988 0.899,989 4.828,990 1.153,991 5.733,992 4.044,993 4.317,994 4.997,996 6.621,997 4.242,998 6.086,999 1,1000 7.339,1001 2.795,1002 4.007,1003 4.956,1005 7.667,1006 3.908,1007 7.431,1008 0.806,1009 9.047,1010 2.398,1011 5.979,1012 7.379,1014 10.823,1015 5.837,1016 8.82,1017 0.396,1018 10.814,1019 2.014,1020 6.509,1021 8.216,1023 12.718,1024 6.342,1025 10.245,1026 -0.288,1027 12.62,1028 0.984,1029 7.965,1030 10.091,1032 15.4,1033 7.761,1034 11.695,1035 -0.59,1036 14.452,1037 -0.673,1038 8.862,1039 11.321,1041 17.638,1042 8.629,1043 13.165,1044 -0.841,1045 16.304,1046 -1.644,1047 10.131,1048 12.984,1050 20.174,1051 9.865,1052 3.339,1053 -0.922,1054 18.171,1055 -2,1056 11.189,1057 14.388,1059 22.556,1060 10.89,1061 2.93,1062 12.088,1063 20.049,1064 -2.365,1065 12.395,1066 15.97,1068 25.05,1069 12.061,1070 2.557,1071 9.393,1072 21.937,1073 4.737,1074 13.524,1075 17.449,1077 27.492,1078 13.156,1079 2.37,1080 8.572,1081 23.832,1082 4.353,1083 14.711,1084 19.001,1086 29.977,1087 14.309,1088 1.743,1089 7.457,1090 25.735,1091 3.301,1092 15.873,1093 20.513,1095 32.445,1096 15.434,1097 1.55,1098 4.819,1099 27.643,1100 3.179,1101 17.058,1102 22.055,1104 34.93,1105 16.584,1106 1.533,1107 4.378,1108 29.556,1109 2.328,1110 18.236,1111 23.583,1113 37.411,1114 17.726,1115 4398,1116 7243,1117 16.819,1118 25.086,1119 39.193,1120 38.662,1121 40.034,1122 38.779,1123 38.753,1124 54.225,1126 117.881,1127 37.231,1128 5.437,1129 5.376,1130 6.567,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.222,1137 9.728,1138 1.568,1139 1.546,1140 1.601,1141 1.551,1142 1.55,1143 2.169,1145 4.715,1146 1.489,1147 4.165,1148 4.208,1149 4.143,1150 4.046,1151 5.26,1152 4.063,1153 4.006,1154 4.059,1155 3.976,1156 3.848,1157 5.088,1158 3.875,1159 3.578,1160 3.656,1161 3.445,1162 3.411,1163 4.858,1164 3.402,1165 3.406,1166 3.474,1167 3.336,1168 3.213,1169 4.53,1170 3.238,1171 3.124,1172 3.224,1173 3.009,1174 2.866,1175 4.308,1176 2.892,1177 2.987,1178 3.093,1179 2.867,1180 2.752,1181 4.046,1182 2.759,1183 2.874,1184 3.009,1185 2.755,1186 2.667,1187 3.762,1188 2.697,1189 2.874,1190 2.94,1191 2.499,1192 2.618,1193 3.655,1194 2.57,1195 0.19,1196 0.135,1197 0.282,1198 0.172,1199 0.134,1200 4.762,1201 0.189,1202 3.376,1204 7.039,1205 0.484,1206 4.303,1207 0.129,1208 3.339,1209 4.737,1211 12.088,1212 3.222,1213 1.959,1214 1.939,1215 2.026,1216 2.042,1217 1.18,1218 2.032,1219 1.807,1220 1.76,1221 1.947,1222 1.993,1223 1.14,1224 1.979,1225 1.621,1226 1.557,1227 1.781,1228 1.816,1229 0.864,1230 1.817,1231 1.365,1232 1.285,1233 1.525,1234 1.697,1235 0.491,1236 1.651,1237 1.138,1238 1.069,1239 1.417,1240 1.407,1241 0.469,1242 1.375,1243 0.934,1244 0.826,1245 1.247,1246 1.239,1247 0.225,1248 1.308,1249 0.906,1250 0.804,1251 1.146,1252 1.228,1253 0.152,1254 1.213,1255 0.812,1256 0.735,1257 1.096,1258 1.075,1259 0.033,1260 1.071,1261 3.932,1263 5.293,1264 3.045,1265 6.851,1266 5.416,1267 8.502,1268 7.554,1269 10.204,1271 4.122,1275 6.074,1281 0.18,1289 24.257,1290 55.892,1291 143.979,1292 168.485,1293 173.24,1294 173.24,1295 173.24,1296 25.775,1297 7.358,1298 98.3,1299 98.3,1300 22,1301 12.673,1302 4.392,1303 3.459,1304 29.673,1305 61,1306 56,1307 0.243,1308 149.223,1309 230.9,1310 355.864,1311 14040,1313 15.267,1314 0.694,1315 0.558,1316 15.267,1317 12.278,1318 10.648,1319 0.426,1320 0.283,1321 6.964,1322 10.184,1323 6.761,1324 5.645,1325 10.648,1326 7.075,1327 9.981,1328 0.27,1329 0.149,1330 9.981,1331 5.503,1332 8.729,1333 0.165,1334 0.07,1335 8.729,1336 3.716,1337 7.769,1338 0.104,1339 0.035,1340 7.769,1341 2.639,1342 6.227,1343 0.066,1344 0.019,1345 6.227,1346 1.767,1347 0.361,1348 66.984,1349 0.244,1350 21.001,1351 0.729,1352 124,1353 339.871,1354 136.545,1355 338.411,1356 484.17,1357 318,1358 152,1359 387.463,1360 166.21,1361 391.486,1362 577.46,1363 369,1364 5.796}
{0 CHEMBL1242566,1 1.739,2 7.773,3 2.584,4 6.676,5 81.119,6 8.315,7 0.64,8 3.742,9 3.863,10 3.396,11 3.258,12 4.956,13 3.277,14 4.232,15 4.394,16 3.761,17 3.628,18 5.424,19 3.63,20 4.455,21 4.661,22 3.85,23 3.687,24 5.763,25 3.691,26 4.441,27 4.651,28 3.791,29 3.673,30 5.668,31 3.67,32 4.384,33 4.585,34 3.669,35 3.67,36 5.511,37 3.637,38 4.371,39 4.564,40 3.647,41 3.635,42 5.579,43 3.595,44 4.431,45 4.674,46 3.438,47 3.514,48 5.639,49 3.422,50 4.274,51 4.566,52 3.016,53 3.149,54 5.498,55 3.016,56 0.13,57 0.667,58 6.212,59 2.956,60 15.773,61 3.468,62 0.227,63 1.037,64 11.479,65 4.955,66 23.236,67 6.219,68 0.495,69 1.185,70 17.416,71 5.698,72 62.637,73 7.53,74 0.493,75 1.163,76 16.985,77 5.374,78 52.473,79 6.83,80 0.368,81 1.054,82 15.014,83 5.021,84 35.647,85 6.744,86 0.362,87 1.065,88 14.417,89 5.247,90 37.589,91 6.974,92 0.5,93 1.005,94 18.295,95 6.027,96 58.677,97 8.45,98 0.549,99 0.78,100 18.977,101 5.56,102 78.449,103 7.99,104 10,105 37,106 0.313,107 0.725,108 0.809,109 0.861,110 0.861,111 0.861,112 3.149,113 0.855,114 -4.77,115 -4.68,116 -4.4,118 41.7,120 3,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 7,172 1,173 1,175 2,178 4,180 1,181 1,182 6,186 2,188 3,191 2,192 8,194 3,195 3,197 2,199 3,201 1,204 6,206 1,208 3,211 3,213 2,215 4,218 1,220 3,223 5,225 3,228 1,231 2,232 1,233 1,234 1,235 4,237 1,245 2,247 1,257 1,264 604,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.995,271 12.029,272 8.539,273 15.261,274 12.321,275 12.321,276 12.321,277 12.321,278 12.321,279 9.401,280 8.729,281 4.025,282 12.916,283 3.431,284 1.143,285 0.674,286 0.389,287 0.389,288 0.389,289 3.838,292 1,293 1,294 1,295 378,296 2.121,298 40.578,299 41.015,300 111.803,303 78.94,307 1.087,308 29.645,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 49,320 171,321 4.764,322 3.397,323 7.051,324 4.313,325 3.35,326 4.733,328 12.147,329 3.227,330 4.219,331 3.166,332 6.266,333 3.808,334 2.848,335 3.88,337 9.331,338 2.731,339 3.891,340 2.809,341 5.973,342 3.63,343 2.67,344 3.249,346 8.332,347 2.559,348 3.681,349 2.453,350 5.682,351 3.273,352 2.324,353 3.086,355 7.322,356 2.19,357 3.255,358 2.044,359 5.096,360 2.944,361 1.994,362 2.39,364 5.746,365 1.889,366 2.996,367 1.868,368 4.469,369 2.448,370 1.512,371 2.232,373 4.137,374 1.411,375 2.82,376 1.533,377 4.246,378 2.365,379 1.414,380 1.948,382 3.514,383 1.333,384 2.613,385 1.296,386 4.038,387 2.194,388 1.235,389 1.656,391 3.474,392 1.181,393 2.407,394 1.075,395 3.653,396 1.942,397 1.011,398 1.376,400 2.499,401 0.938,402 1.441,403 0.594,404 2.974,405 1.296,406 0.316,407 0.348,409 0.782,410 0.309,411 1.366,412 0.347,413 2.736,414 1,415 0.1,416 0.121,417 0.222,418 0.087,419 1.041,421 2.618,422 0.987,427 1,428 -0.168,429 2.417,430 0.606,431 -0.307,432 -0.39,433 -0.714,434 -0.279,435 0.78,436 -0.292,437 2.375,438 0.352,439 -0.595,440 -0.771,441 -1.604,442 -0.555,443 0.599,444 -0.718,445 2.241,446 0.1,447 -0.835,448 -1.142,449 -2.341,450 -0.771,451 10.119,452 0.46,453 0.61,454 0.028,455 30,456 1.364,457 15,458 0.682,459 15,460 0.682,461 15.704,462 0.714,463 23.481,464 0.652,465 20.714,466 0.942,467 5.651,468 0.257,469 4.997,470 0.227,471 0.101,473 0.435,477 1,478 0.759,479 1.053,480 0.694,481 0.937,482 0.736,483 0.826,484 0.643,485 1.102,486 0.724,487 1.089,488 0.537,489 0.964,490 0.867,491 1.127,492 0.772,493 0.926,494 0.709,495 0.835,496 1.047,497 0.912,498 0.984,499 0.841,500 0.971,501 0.87,502 0.799,503 0.9,504 1.064,505 0.975,506 0.568,507 1.042,508 0.739,509 1.036,510 1.097,511 1.229,512 0.721,513 1.243,514 0.691,515 0.937,516 1.1,517 1.204,518 0.788,519 1.252,520 0.874,521 0.683,522 0.981,523 0.977,524 1.007,525 1.022,526 4,527 0.012,528 3,529 1.917,530 1.669,531 0.705,532 0.505,533 0.376,534 0.16,535 0.061,536 4612,537 13937,538 2.148,539 38.9,540 2,541 4,543 1,544 3,546 4,549 1.653,550 2,551 2.955,552 1.114,553 1,554 1,556 1,558 62.601,559 1.739,560 4.027,561 4.496,562 4.781,563 4.781,564 4.781,565 2.392,566 4.369,567 4.43,568 3.05,569 704.529,570 7.653,571 7446.13,572 1,573 1,575 1,576 186.117,577 1.437,578 4.388,579 0.16,580 0.012,581 0.086,582 0.052,583 0.048,584 0.023,585 0.017,586 0.018,587 0.013,588 0.012,589 0.441,590 0.5,591 1,592 0.595,593 98.167,594 -0.081,595 -0.014,596 0.017,597 0.07,598 -0.094,599 0.069,600 0.038,601 -0.108,602 0.071,603 -0.1,604 0.063,605 -0.032,606 0.056,607 -0.146,608 0.164,609 0.031,610 0.162,611 0.112,612 -0.11,613 0.11,614 -0.064,615 0.076,616 -0.106,617 0.032,618 -0.137,619 -0.025,620 -0.211,621 -0.05,622 -0.044,623 -0.119,624 -0.012,625 -0.111,626 -0.241,627 -0.279,628 -0.039,629 -0.31,630 0.147,631 -0.087,632 -0.105,633 -0.241,634 0.055,635 -0.244,636 0.208,637 0.114,638 0.187,639 0.021,640 0.148,641 0.074,642 2.337,643 5.28,644 0.864,645 15.182,646 1.021,647 1.142,648 3.54,649 12.533,650 0.673,651 3.258,652 3.638,653 3.989,654 4.263,655 4.554,656 4.718,657 4.868,658 4.99,659 4.956,660 4.875,661 4.735,662 0.662,663 299.34,664 3.258,665 4.828,666 5.72,667 6.635,668 7.548,669 8.471,670 9.393,671 10.32,672 11.246,673 12.176,674 13.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 36,718 16,719 1,720 25,722 39,723 15,724 11,725 3,726 3,728 4,729 5,735 4,738 4,740 11,741 4,756 1,757 1,758 1,760 14,761 6,762 3,763 7,769 5,775 0.75,776 1,785 1,788 1,792 1,793 1,794 2,797 1,819 3,825 1,827 22,828 1,832 1,833 3,837 1,849 1,850 2.8,852 1,858 11,859 6.393,860 4.694,861 2.199,863 3.095,864 1.433,865 1.012,866 3.013,867 10.248,868 3.526,869 4.216,870 4.904,871 5.562,872 6.164,873 6.589,874 7.046,875 7.501,876 7.759,877 8.014,878 1,879 37,880 8.148,881 3.678,882 7.977,883 15.267,884 13.142,885 2.477,886 54.5,890 129.482,891 66.33,892 84.908,894 42.683,895 14.96,897 66.33,898 172.165,899 99.868,901 7.604,902 61.326,903 106.404,904 28.031,905 17.288,906 117.711,908 129.482,909 151.238,910 57.643,913 97.358,914 89.768,917 22.471,918 78.533,919 50.234,921 144.442,922 127.591,923 66.33,926 129.482,927 29.283,928 38.824,930 140.775,931 129.482,932 142.551,933 66.33,935 0.596,936 0.364,937 0.188,938 0.109,939 21,940 9,941 0.051,942 2,943 1,944 1.105,945 3.378,946 188.186,947 0.105,948 19,949 96.107,954 13.467,955 4.921,956 2.064,957 1.316,958 140.775,959 5.53,960 12.944,964 0.392,965 1.868,966 75.581,967 338.364,968 33,980 36.767,981 41.117,983 0.336,984 0.779,985 0.87,986 0.925,987 0.925,988 0.925,989 4.787,990 1.235,991 5.733,992 3.514,993 4.317,994 4.902,996 6.619,997 4.227,998 6.028,999 1.011,1000 7.339,1001 3.474,1002 4.007,1003 4.856,1005 7.656,1006 3.858,1007 7.374,1008 0.316,1009 9.047,1010 2.499,1011 5.999,1012 7.228,1014 10.823,1015 5.834,1016 8.758,1017 0.1,1018 10.815,1019 0.782,1020 6.509,1021 8.038,1023 12.71,1024 6.287,1025 10.175,1027 12.62,1028 0.222,1029 7.979,1030 9.892,1032 15.404,1033 7.741,1034 11.617,1035 -0.307,1036 14.452,1038 8.86,1039 11.101,1041 17.644,1042 8.57,1043 13.078,1044 -0.595,1045 16.303,1046 -0.714,1047 10.137,1048 12.758,1050 20.191,1051 9.825,1052 3.35,1053 -0.835,1054 18.169,1055 -1.604,1056 11.187,1057 14.152,1059 22.579,1060 10.829,1061 2.848,1062 12.147,1063 20.047,1064 -2.341,1065 12.397,1066 15.734,1068 25.082,1069 12.011,1070 2.67,1071 9.331,1072 21.935,1073 4.733,1074 13.524,1075 17.212,1077 27.531,1078 13.097,1079 2.324,1080 8.332,1081 23.832,1082 3.88,1083 14.715,1084 18.769,1086 30.024,1087 14.256,1088 1.994,1089 7.322,1090 25.736,1091 3.249,1092 15.878,1093 20.286,1095 32.499,1096 15.38,1097 1.512,1098 5.746,1099 27.646,1100 3.086,1101 17.068,1102 21.835,1104 34.991,1105 16.535,1106 1.414,1107 4.137,1108 29.561,1109 2.39,1110 18.249,1111 23.37,1113 37.478,1114 17.679,1115 4399,1116 7772,1117 16.819,1118 24.228,1119 37.867,1120 38.37,1121 39.693,1122 37.647,1123 37.548,1124 50.037,1126 115.014,1127 35.708,1128 5.764,1129 5.397,1130 6.669,1131 5.385,1132 5.35,1133 7.733,1135 19.676,1136 5.227,1137 9.835,1138 1.515,1139 1.535,1140 1.588,1141 1.506,1142 1.502,1143 2.001,1145 4.601,1146 1.428,1147 4.148,1148 4.196,1149 4.127,1150 4.006,1151 8.201,1152 4.029,1153 3.868,1154 3.899,1155 3.817,1156 3.768,1157 6.465,1158 3.772,1159 3.765,1160 3.816,1161 3.658,1162 3.638,1163 5.254,1164 3.64,1165 3.262,1166 3.348,1167 3.21,1168 3,1169 4.869,1170 3.043,1171 3.026,1172 3.121,1173 2.946,1174 2.75,1175 4.573,1176 2.791,1177 2.931,1178 2.971,1179 2.804,1180 2.744,1181 4.399,1182 2.747,1183 2.82,1184 2.891,1185 2.731,1186 2.591,1187 4.131,1188 2.612,1189 2.524,1190 2.66,1191 2.245,1192 2.274,1193 3.692,1194 2.228,1195 0.191,1196 0.136,1197 0.282,1198 0.173,1199 0.134,1200 4.764,1201 0.189,1202 3.397,1204 7.051,1205 0.486,1206 4.313,1207 0.129,1208 3.35,1209 4.733,1211 12.147,1212 3.227,1213 1.93,1214 1.905,1215 2.096,1216 2.088,1217 1.491,1218 2.087,1219 1.898,1220 1.849,1221 1.984,1222 2.014,1223 1.109,1224 2.005,1225 1.712,1226 1.672,1227 1.788,1228 1.883,1229 0.851,1230 1.865,1231 1.196,1232 1.136,1233 1.289,1234 1.486,1235 0.389,1236 1.435,1237 0.909,1238 0.842,1239 1.152,1240 1.231,1241 0.325,1242 1.209,1243 0.883,1244 0.831,1245 1.117,1246 1.141,1247 0.185,1248 1.131,1249 0.791,1250 0.687,1251 1.079,1252 1.103,1253 0.115,1254 1.099,1255 0.585,1256 0.475,1257 1.07,1258 0.895,1260 0.967,1261 3.932,1263 5.333,1264 2.398,1265 6.913,1266 4.844,1267 8.575,1268 7.081,1269 10.28,1273 13.28,1275 5.994,1276 9.604,1277 3.267,1281 0.305,1289 23.839,1290 62.601,1291 144.956,1292 161.853,1293 172.117,1294 172.117,1295 172.117,1296 37.453,1297 7.153,1298 89.85,1299 89.85,1300 21,1301 12.679,1302 4.087,1303 3.17,1304 29.624,1305 61,1306 64,1307 0.243,1308 143.756,1309 237.3,1310 342.525,1311 10300,1312 2.8,1313 15.267,1314 0.694,1315 0.532,1316 14.397,1317 11.699,1318 10.648,1319 0.426,1320 0.285,1321 7.006,1322 10.155,1323 6.928,1324 5.68,1325 10.237,1326 7.125,1327 9.931,1328 0.268,1329 0.149,1330 9.436,1331 5.502,1332 8.937,1333 0.169,1334 0.078,1335 8.275,1336 4.158,1337 7.058,1338 0.101,1339 0.036,1340 6.95,1341 2.539,1342 6.013,1343 0.064,1344 0.019,1345 5.813,1346 1.782,1347 0.361,1348 67.473,1349 0.244,1350 21.017,1351 0.735,1352 124,1353 414.153,1354 139.371,1355 378.247,1356 517.53,1357 352,1358 152,1359 392.657,1360 168.642,1361 388.855,1362 576.94,1363 367,1364 5.699}
{0 CHEMBL1242568,1 1.706,2 7.87,3 3.04,4 9.242,5 85.72,6 8.035,7 0.615,8 3.809,9 3.932,10 3.434,11 3.324,12 4.993,13 3.333,14 4.337,15 4.503,16 3.836,17 3.745,18 5.481,19 3.734,20 4.617,21 4.838,22 3.894,23 3.814,24 5.834,25 3.785,26 4.586,27 4.826,28 3.844,29 3.759,30 5.738,31 3.741,32 4.47,33 4.671,34 3.755,35 3.764,36 5.585,37 3.73,38 4.478,39 4.672,40 3.735,41 3.759,42 5.654,43 3.71,44 4.553,45 4.789,46 3.585,47 3.676,48 5.736,49 3.583,50 4.472,51 4.762,52 3.156,53 3.388,54 5.634,55 3.237,56 0.117,57 0.705,58 7.216,59 3.292,60 14.964,61 4.037,62 0.212,63 1.138,64 13.598,65 5.774,66 23.64,67 7.467,68 0.496,69 1.326,70 21.557,71 7.031,72 67.234,73 9.776,74 0.542,75 1.268,76 21.813,77 6.307,78 57.585,79 8.741,80 0.364,81 1.154,82 16.991,83 5.456,84 36.465,85 7.611,86 0.362,87 1.183,88 16.816,89 5.973,90 38.443,91 8.176,92 0.486,93 1.155,94 20.547,95 6.884,96 58.999,97 9.769,98 0.582,99 0.945,100 22.397,101 6.648,102 84.324,103 9.667,104 10,105 38,106 0.302,107 0.694,108 0.779,109 0.837,110 0.837,111 0.837,112 3.19,113 0.88,114 -5.02,115 -4.92,116 -4.61,118 41,120 4,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 7,172 1,173 1,175 2,178 6,180 1,181 1,182 7,186 2,188 3,191 2,192 9,194 3,195 3,197 2,199 3,201 1,204 7,206 1,208 3,211 4,213 2,215 4,218 1,220 3,223 6,225 3,228 2,231 2,232 1,233 2,234 1,235 6,237 2,245 2,247 2,257 2,264 674,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.702,271 12.029,272 9.039,273 15.968,274 12.821,275 12.821,276 12.821,277 12.821,278 12.821,279 9.901,280 8.729,281 4.272,282 13.416,283 3.58,284 1.366,285 0.891,286 0.564,287 0.564,288 0.564,289 3.884,292 1,293 1,294 1,295 398,296 2.121,299 92.649,300 116.507,303 82.153,307 1.115,308 30.171,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51,320 181,321 4.763,322 3.394,323 7.05,324 4.31,325 3.347,326 4.733,328 12.146,329 3.225,330 4.218,331 3.165,332 6.261,333 3.802,334 2.843,335 3.88,337 9.314,338 2.721,339 3.878,340 2.79,341 5.971,342 3.611,343 2.651,344 3.243,346 8.322,347 2.541,348 3.68,349 2.452,350 5.68,351 3.272,352 2.324,353 3.086,355 7.318,356 2.19,357 3.239,358 2.041,359 5.078,360 2.948,361 1.994,362 2.365,364 5.689,365 1.898,366 2.996,367 1.868,368 4.469,369 2.449,370 1.513,371 2.231,373 4.136,374 1.412,375 2.82,376 1.534,377 4.235,378 2.365,379 1.414,380 1.948,382 3.533,383 1.333,384 2.638,385 1.408,386 4.038,387 2.306,388 1.342,389 1.684,391 3.509,392 1.29,393 2.442,394 1.082,395 3.662,396 1.972,397 1.035,398 1.423,400 2.565,401 0.966,402 1.857,403 0.724,404 3.249,405 1.66,406 0.683,407 0.784,409 1.743,410 0.666,411 1.618,412 0.618,413 3,414 1.618,415 0.618,416 0.618,417 1.372,418 0.618,419 1.371,420 0.57,421 2.736,422 0.989,423 0.103,424 0.124,425 0.227,426 0.089,427 1.057,428 -0.148,429 2.462,430 0.62,431 -0.292,432 -0.371,433 -0.683,434 -0.266,435 0.781,436 -0.288,437 2.375,438 0.353,439 -0.595,440 -0.769,441 -1.604,442 -0.555,443 0.626,444 -0.703,445 2.333,446 0.136,447 -0.795,448 -1.041,449 -2.197,450 -0.734,451 10.619,452 0.462,453 0.61,454 0.027,455 30.5,456 1.326,457 15,458 0.652,459 15.5,460 0.674,461 17.761,462 0.772,463 24.781,464 0.635,465 21.33,466 0.927,467 5.651,468 0.246,469 5.497,470 0.239,471 0.096,473 0.414,477 1,478 0.752,479 1.075,480 0.719,481 0.971,482 0.728,483 0.863,484 0.613,485 1.087,486 0.731,487 1.086,488 0.511,489 0.969,490 0.792,491 1.141,492 0.828,493 1.031,494 0.636,495 0.951,496 0.992,497 0.835,498 0.882,499 0.726,500 0.887,501 0.75,502 0.834,503 0.919,504 1.065,505 0.96,506 0.586,507 1.021,508 0.749,509 1.024,510 1.107,511 1.205,512 0.714,513 1.225,514 0.676,515 1.002,516 1.089,517 1.241,518 0.772,519 1.264,520 0.852,521 0.7,522 1.053,523 1.014,524 0.961,525 1.082,526 4,527 0.02,528 3.111,529 1.819,530 1.647,531 0.796,532 0.551,533 0.398,534 0.172,535 0.087,536 5148,537 14943,538 2.141,539 41,540 4,541 4,543 1,544 3,546 4,549 1.666,550 2,551 2.981,552 1.075,553 1,554 1,556 1,558 66.521,559 1.706,560 3.919,561 4.394,562 4.721,563 4.721,564 4.721,565 2.426,566 3.882,567 4.495,568 3.09,569 781.869,570 7.783,571 8530.29,572 1,573 1,574 1,575 1,576 206.131,577 1.422,578 4.454,579 0.154,580 0.01,581 0.082,582 0.048,583 0.045,584 0.023,585 0.017,586 0.016,587 0.012,588 0.012,589 0.419,590 0.33,591 1,592 0.58,593 104.348,594 -0.068,595 -0.013,596 0.023,597 0.062,598 -0.08,599 0.063,600 0.05,601 -0.078,602 0.077,603 -0.069,604 0.073,605 -0.011,606 0.081,607 -0.19,608 0.118,609 -0.062,610 0.177,611 0.019,612 -0.063,613 0.135,614 0.092,615 0.187,616 -0.055,617 0.183,618 -0.151,619 -0.01,620 -0.209,621 -0.033,622 -0.057,623 -0.104,624 -0.025,625 -0.074,626 -0.251,627 -0.243,628 -0.043,629 -0.288,630 0.136,631 -0.122,632 -0.134,633 -0.274,634 0.046,635 -0.276,636 0.15,637 0.106,638 0.041,639 -0.042,640 0.103,641 -0.034,642 2.336,643 5.334,644 0.87,645 16.378,646 1.017,647 1.142,648 3.786,649 14.337,650 0.666,651 3.296,652 3.664,653 4.007,654 4.331,655 4.575,656 4.754,657 4.913,658 5.056,659 5.075,660 5.004,661 4.871,662 0.65,663 313.37,664 3.296,665 4.86,666 5.746,667 6.655,668 7.565,669 8.484,670 9.403,671 10.327,672 11.25,673 12.177,674 12.8,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 39,718 16,719 1,720 26,722 42,723 16,724 11,725 3,726 3,728 4,729 5,735 5,738 5,740 11,741 5,756 1,757 1,758 1,760 16,761 6,762 3,763 7,769 5,775 0.75,776 1,785 1,788 1,793 2,794 2,797 1,819 3,825 1,827 23,828 1,832 1,833 4,837 1,849 1,850 2.6,852 1,858 11.5,859 6.893,860 4.944,861 2.449,863 3.077,864 1.423,865 1.004,866 3.421,867 10.352,868 3.555,869 4.23,870 4.912,871 5.581,872 6.169,873 6.598,874 7.058,875 7.518,876 7.792,877 8.05,878 1,879 38,880 8.53,881 3.824,882 7.935,883 16.084,884 13.809,885 2.435,886 56,890 153.024,891 68.865,892 84.908,894 42.683,895 14.96,897 68.865,898 195.708,899 99.868,901 10.138,902 61.326,903 106.404,904 28.031,905 17.288,906 141.253,908 153.024,909 153.773,910 57.643,913 120.9,914 89.768,917 25.005,918 78.533,919 50.234,921 167.984,922 127.591,923 68.865,926 153.024,927 31.818,928 38.824,930 140.775,931 153.024,932 142.551,933 68.865,935 0.592,936 0.36,937 0.199,938 0.109,939 21,940 9,941 0.048,942 2,943 1,944 1.1,945 3.435,946 200.199,947 0.1,948 20,949 100.042,954 14.401,955 5.463,956 2.34,957 1.327,958 140.775,959 5.562,960 13.069,964 0.407,965 1.899,966 75.581,967 364.441,968 34,980 39.651,981 44.532,983 0.323,984 0.742,985 0.831,986 0.893,987 0.893,988 0.893,989 4.812,990 1.342,991 5.753,992 3.533,993 4.344,994 4.916,996 6.629,997 4.256,998 6.045,999 1.035,1000 7.352,1001 3.509,1002 4.007,1003 4.856,1005 7.656,1006 3.858,1007 7.381,1008 0.683,1009 9.054,1010 2.565,1011 5.994,1012 7.227,1014 10.82,1015 5.828,1016 8.759,1017 0.618,1018 10.818,1019 1.743,1020 6.509,1021 8.038,1023 12.708,1024 6.288,1025 10.173,1026 0.103,1027 12.62,1028 1.372,1029 7.965,1030 9.89,1032 15.401,1033 7.724,1034 11.613,1035 -0.292,1036 14.45,1037 0.227,1038 8.854,1039 11.1,1041 17.641,1042 8.565,1043 13.074,1044 -0.595,1045 16.3,1046 -0.683,1047 10.123,1048 12.756,1050 20.188,1051 9.807,1052 3.347,1053 -0.795,1054 18.166,1055 -1.604,1056 11.177,1057 14.151,1059 22.576,1060 10.82,1061 2.843,1062 12.146,1063 20.044,1064 -2.197,1065 12.383,1066 15.733,1068 25.08,1069 11.994,1070 2.651,1071 9.314,1072 21.932,1073 4.733,1074 13.512,1075 17.212,1077 27.529,1078 13.085,1079 2.324,1080 8.322,1081 23.828,1082 3.88,1083 14.702,1084 18.768,1086 30.022,1087 14.24,1088 1.994,1089 7.318,1090 25.732,1091 3.243,1092 15.865,1093 20.285,1095 32.497,1096 15.367,1097 1.513,1098 5.689,1099 27.642,1100 3.086,1101 17.054,1102 21.834,1104 34.989,1105 16.521,1106 1.414,1107 4.136,1108 29.558,1109 2.365,1110 18.235,1111 23.369,1113 37.476,1114 17.665,1115 4917,1116 8525,1117 17.512,1118 25.989,1119 39.656,1120 40.365,1121 41.079,1122 39.803,1123 39.736,1124 52.237,1126 119.749,1127 37.894,1128 5.665,1129 5.394,1130 6.646,1131 5.385,1132 5.347,1133 7.733,1135 19.683,1136 5.225,1137 10.157,1138 1.525,1139 1.553,1140 1.58,1141 1.531,1142 1.528,1143 2.009,1145 4.606,1146 1.457,1147 4.144,1148 4.192,1149 4.124,1150 4.003,1151 8.201,1152 4.026,1153 3.865,1154 3.898,1155 3.815,1156 3.764,1157 6.465,1158 3.768,1159 3.776,1160 3.827,1161 3.662,1162 3.65,1163 5.254,1164 3.65,1165 3.287,1166 3.376,1167 3.23,1168 3.015,1169 4.868,1170 3.059,1171 3.044,1172 3.126,1173 2.971,1174 2.82,1175 4.572,1176 2.844,1177 2.932,1178 2.979,1179 2.804,1180 2.746,1181 4.395,1182 2.748,1183 2.869,1184 2.978,1185 2.742,1186 2.671,1187 4.156,1188 2.635,1189 2.864,1190 2.951,1191 2.583,1192 2.6,1193 3.695,1194 2.623,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.763,1201 0.182,1202 3.394,1204 7.05,1205 0.467,1206 4.31,1207 0.124,1208 3.347,1209 4.733,1211 12.146,1212 3.225,1213 1.922,1214 1.903,1215 1.985,1216 2.034,1217 1.243,1218 2.014,1219 1.786,1220 1.741,1221 1.889,1222 1.972,1223 1.211,1224 1.949,1225 1.585,1226 1.528,1227 1.86,1228 1.78,1229 1.106,1230 1.793,1231 1.577,1232 1.507,1233 1.744,1234 1.751,1235 0.831,1236 1.773,1237 1.132,1238 1.079,1239 1.247,1240 1.386,1241 0.272,1242 1.358,1243 0.883,1244 0.839,1245 1.152,1246 1.231,1247 0.148,1248 1.208,1249 0.872,1250 0.781,1251 1.114,1252 1.134,1253 0.094,1254 1.13,1255 0.761,1256 0.669,1257 0.995,1258 1.06,1259 0.077,1260 1.049,1261 3.97,1263 5.323,1264 3.045,1265 6.872,1266 5.352,1267 8.515,1268 7.455,1269 10.209,1273 13.334,1275 6.033,1276 9.649,1277 4.433,1281 0.287,1289 25.366,1290 66.521,1291 152.846,1292 171.376,1293 184.131,1294 184.131,1295 184.131,1296 40.356,1297 7.274,1298 89.85,1299 89.85,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.543,1305 66,1306 69,1307 0.24,1308 153.348,1309 254.6,1310 365.93,1311 12138,1312 2.6,1313 15.974,1314 0.695,1315 0.539,1316 15.104,1317 12.407,1318 11.148,1319 0.429,1320 0.293,1321 7.506,1322 10.655,1323 7.418,1324 6.097,1325 10.737,1326 7.625,1327 10.285,1328 0.271,1329 0.154,1330 9.789,1331 5.855,1332 9.187,1333 0.17,1334 0.082,1335 8.525,1336 4.408,1337 7.78,1338 0.104,1339 0.043,1340 7.672,1341 3.261,1342 6.179,1343 0.064,1344 0.02,1345 5.979,1346 1.911,1347 0.357,1348 70.473,1349 0.239,1350 21.849,1351 0.724,1352 128,1353 418.153,1354 143.371,1355 382.408,1356 523.29,1357 356,1358 156,1359 396.657,1360 172.642,1361 393.016,1362 582.7,1363 371,1364 7.194}
{0 CHEMBL1242569,1 1.617,2 9.208,3 2.633,4 6.931,5 94.234,6 7.568,7 0.615,8 3.874,9 3.998,10 3.455,11 3.338,12 5.051,13 3.346,14 4.365,15 4.543,16 3.785,17 3.669,18 5.47,19 3.672,20 4.49,21 4.668,22 3.896,23 3.78,24 5.616,25 3.78,26 4.555,27 4.735,28 3.915,29 3.859,30 5.704,31 3.838,32 4.654,33 4.856,34 3.803,35 3.898,36 5.707,37 3.836,38 4.66,39 4.884,40 3.695,41 3.843,42 5.699,43 3.753,44 4.62,45 4.887,46 3.547,47 3.69,48 5.624,49 3.575,50 4.433,51 4.694,52 3.311,53 3.442,54 5.441,55 3.34,56 0.073,57 0.659,58 8.711,59 3.523,60 10.943,61 4.65,62 0.296,63 0.972,64 16.515,65 5.458,66 24.378,67 7.357,68 0.373,69 1.101,70 18.762,71 5.959,72 28.082,73 8.303,74 0.336,75 1.213,76 19.399,77 6.572,78 29.7,79 9.044,80 0.386,81 1.243,82 22.505,83 7.341,84 33.315,85 10.372,86 0.389,87 1.203,88 23.192,89 7.563,90 36.823,91 11.023,92 0.436,93 1.052,94 23.948,95 7.611,96 44.101,97 11.555,98 0.443,99 0.832,100 20.282,101 5.885,102 40.945,103 8.767,104 30,105 36,106 0.281,107 0.678,108 0.845,109 0.872,110 0.872,111 0.872,112 3.229,113 0.875,114 -4.3,115 -4.24,116 -4,118 39.5,119 1,123 1,124 2,131 1,132 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 9,172 1,173 1,175 1,178 3,180 1,181 2,182 9,188 3,191 2,192 9,194 3,195 3,197 1,199 3,201 1,203 1,204 8,208 2,211 4,213 2,214 2,215 4,220 2,223 4,225 2,227 3,228 1,230 1,231 1,233 1,235 3,237 1,239 2,240 2,242 1,243 1,247 2,252 3,264 804,265 16.593,266 16.593,267 16.593,268 16.593,269 16.593,270 14.608,271 18.642,272 9.916,273 17.222,274 12.706,275 12.706,276 12.706,277 12.706,278 12.706,279 9.564,280 21.772,281 4.412,282 13.547,283 3.809,284 1.526,285 0.564,286 0.407,287 0.407,288 0.407,289 3.91,292 1,293 1,294 1,295 463,296 3,299 49.269,300 131.815,303 93.712,307 1.309,308 21.634,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52.5,320 221,321 4.746,322 3.358,323 7.002,324 4.281,325 3.315,326 4.724,327 0.86,328 11.958,329 3.202,330 4.26,331 3.183,332 6.209,333 3.834,334 2.886,335 3.916,336 0.86,337 9.266,338 2.732,339 3.745,340 2.554,341 5.908,342 3.359,343 2.409,344 3.158,345 0.522,346 8.129,347 2.278,348 3.683,349 2.447,350 5.584,351 3.257,352 2.317,353 3.102,355 7.114,356 2.175,357 3.017,358 2.245,359 4.535,360 2.567,361 1.669,362 2.257,364 4.446,365 1.493,366 2.933,367 1.766,368 4.487,369 2.476,370 1.541,371 2.069,373 4.159,374 1.439,375 2.891,376 1.591,377 4.349,378 2.449,379 1.497,380 1.972,382 3.969,383 1.42,384 2.581,385 1.377,386 3.689,387 2.065,388 1.134,389 1.557,391 2.615,392 1.048,393 2.434,394 1.141,395 3.241,396 1.96,397 1,398 1.303,400 1.903,401 0.954,402 2.179,403 1.005,404 3.129,405 1.825,406 0.868,407 1.127,409 1.591,410 0.828,411 1.662,412 0.939,413 2.762,414 1.384,415 0.502,416 0.568,417 0.781,418 0.438,419 1.169,420 0.229,421 2.681,422 0.815,423 -0.108,424 -0.123,425 -0.182,426 -0.098,427 1.104,428 -0.074,429 2.422,430 0.705,431 -0.223,432 -0.291,433 -0.457,434 -0.206,435 0.956,436 -0.349,437 2.255,438 0.465,439 -0.474,440 -0.655,441 -0.891,442 -0.443,443 0.61,444 -0.491,445 2.198,446 0.228,447 -0.724,448 -0.884,449 -1.455,450 -0.689,451 11.167,452 0.465,453 0.483,454 0.02,455 32.5,456 1.354,457 16.5,458 0.688,459 16,460 0.667,461 17.387,462 0.724,463 26.033,464 0.605,465 24.428,466 1.018,467 6.692,468 0.279,469 4.998,470 0.208,471 0.17,473 0.349,478 0.909,479 1.375,480 0.774,481 1.181,482 1.092,483 0.985,484 1.258,485 1,486 0.797,487 0.838,488 0.916,489 0.758,490 1.175,491 1.177,492 0.812,493 0.89,494 0.942,495 0.803,496 1.027,497 1.097,498 0.98,499 1.062,500 0.9,501 1.018,502 1.184,503 1.121,504 1.158,505 1.08,506 1.006,507 1.108,508 0.934,509 1.135,510 1.142,511 1.176,512 1.128,513 1.19,514 0.581,515 0.97,516 0.87,517 1.047,518 0.755,519 1.016,520 1.049,521 0.891,522 1.024,523 0.967,524 1.015,525 0.993,526 4,527 0.037,528 2.889,529 2.042,530 1.762,531 0.921,532 0.586,533 0.439,534 0.208,535 0.142,536 5451,537 15215,538 2.04,539 44.2,541 13,543 1,544 2,546 3,549 1.675,550 1.895,551 3.162,552 0.337,553 1,554 1,556 1,558 69.522,559 1.617,560 3.9,561 4.862,562 5.019,563 5.019,564 5.019,565 2.642,566 4.502,567 4.551,568 3.273,569 903.471,570 7.893,571 10276.2,573 1,575 1,576 233.329,577 1.459,578 4.507,579 0.154,580 0.005,581 0.08,582 0.051,583 0.044,584 0.026,585 0.02,586 0.018,587 0.011,588 0.011,589 0.419,590 0.17,591 1,592 1.296,593 111.931,594 -0.017,595 -0.159,596 0.062,597 -0.117,598 -0.178,599 -0.028,600 -0.067,601 0.085,602 0.149,603 0.154,604 0.009,605 0.179,606 0.001,607 -0.096,608 0.133,609 0.099,610 0.038,611 0.134,612 -0.027,613 0.041,614 -0.069,615 -0.081,616 0.045,617 -0.088,618 -0.184,619 -0.066,620 -0.223,621 -0.089,622 -0.116,623 -0.151,624 -0.041,625 -0.122,626 -0.196,627 -0.19,628 -0.136,629 -0.215,630 0.255,631 -0.067,632 0.127,633 -0.066,634 0.208,635 -0.003,636 0.084,637 -0.005,638 0.012,639 -0.021,640 0.08,641 -0.018,642 1.279,643 2.066,644 0.625,645 19.625,646 1.008,647 1.135,648 3.071,649 9.429,650 0.657,651 3.296,652 3.611,653 3.951,654 4.277,655 4.522,656 4.635,657 4.771,658 4.883,659 4.898,660 4.86,661 5.359,662 0.633,663 325.41,664 3.296,665 4.828,666 5.7,667 6.6,668 7.501,669 8.412,670 9.323,671 10.239,672 11.155,673 12.074,674 11.6,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 43,718 17,719 1,720 26,722 45,723 17,724 11,725 3,726 3,728 3,729 4,732 1,740 13,741 4,744 1,745 1,751 1,756 1,757 1,760 19,761 6,762 2,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,810 1,811 1,819 2,823 2,827 24,828 1,833 2,835 2,850 4.7,855 2,858 12.667,859 8.383,860 5.583,861 2.48,863 3.228,864 1.452,865 0.972,866 4.786,867 10.366,868 3.584,869 4.216,870 4.904,871 5.586,872 6.168,873 6.575,874 7.047,875 7.493,876 7.782,877 8.06,878 1,879 40,880 8.785,881 3.605,882 7.736,883 16.59,884 12.975,885 2.236,886 53.667,889 1,890 200.109,891 111.742,892 84.908,894 22,897 111.742,898 222.109,899 84.908,900 19.708,901 22.465,902 70.802,903 63.72,904 51.397,905 2.328,906 188.338,908 200.109,909 196.65,910 22,913 164.795,914 57.313,917 30.391,918 106.549,919 59.71,921 200.109,922 106.908,923 111.742,926 200.109,927 29.743,928 68.008,930 120.898,931 200.109,932 106.908,933 111.742,935 0.561,936 0.351,937 0.212,938 0.122,939 17,940 8,941 0.133,942 6,943 1,944 1.133,945 3.464,946 199.824,947 0.133,948 15,949 110.039,954 16.43,955 6.991,956 3.015,957 1.385,958 105.131,959 7.078,960 13.018,964 3.257,965 1.749,966 32.897,967 418.759,968 35,969 3.755,975 1.757,980 43.349,981 48.817,983 0.298,984 0.719,985 0.896,986 0.925,987 0.925,988 0.925,989 4.804,990 1.134,991 5.687,992 3.969,993 4.29,994 4.902,995 1.505,996 6.555,997 4.179,998 6.026,999 1,1000 7.277,1001 2.615,1002 3.892,1003 4.808,1005 7.585,1006 3.751,1007 7.352,1008 0.868,1009 8.974,1010 1.903,1011 5.922,1012 7.217,1013 1.205,1014 10.74,1015 5.724,1016 8.726,1017 0.502,1018 10.734,1019 1.591,1020 6.399,1021 8.016,1023 12.626,1024 6.174,1025 10.137,1026 -0.108,1027 12.534,1028 0.781,1029 7.881,1030 9.883,1031 0.978,1032 15.303,1033 7.615,1034 11.577,1035 -0.223,1036 14.361,1037 -0.182,1038 8.753,1039 11.089,1041 17.535,1042 8.457,1043 13.038,1044 -0.474,1045 16.209,1046 -0.457,1047 10.031,1048 12.75,1049 0.792,1050 20.065,1051 9.7,1052 3.315,1053 -0.724,1054 18.071,1055 -0.891,1056 11.078,1057 14.142,1059 22.441,1060 10.715,1061 2.886,1062 11.958,1063 19.946,1064 -1.455,1065 12.285,1066 15.724,1067 0.636,1068 24.927,1069 11.89,1070 2.409,1071 9.266,1072 21.831,1073 4.724,1074 13.407,1075 17.2,1077 27.362,1078 12.981,1079 2.317,1080 8.129,1081 23.723,1082 3.916,1083 14.593,1084 18.755,1085 0.504,1086 29.839,1087 14.135,1088 1.669,1089 7.114,1090 25.623,1091 3.158,1092 15.75,1093 20.269,1095 32.298,1096 15.259,1097 1.541,1098 4.446,1099 27.529,1100 3.102,1101 16.932,1102 21.816,1103 0.395,1104 34.774,1105 16.41,1106 1.497,1107 4.159,1108 29.439,1109 2.257,1110 18.105,1111 23.348,1113 37.245,1114 17.551,1115 5496,1116 9309,1117 17.107,1118 28.267,1119 38.646,1120 39.131,1121 40.882,1122 38.266,1123 38.277,1124 51.506,1125 4.483,1126 111.861,1127 36.014,1128 5.471,1129 5.358,1130 6.768,1131 5.353,1132 5.315,1133 7.724,1134 1.72,1135 19.331,1136 5.202,1137 12.482,1138 1.486,1139 1.505,1140 1.572,1141 1.472,1142 1.472,1143 1.981,1144 0.172,1145 4.302,1146 1.385,1147 4.13,1148 4.175,1149 4.113,1150 3.991,1151 5.258,1152 4.014,1153 3.858,1154 3.879,1155 3.815,1156 3.734,1157 4.94,1158 3.752,1159 3.557,1160 3.626,1161 3.44,1162 3.417,1163 4.846,1164 3.409,1165 3.465,1166 3.535,1167 3.292,1168 3.26,1169 4.678,1170 3.252,1171 3.279,1172 3.347,1173 3.155,1174 3.015,1175 4.493,1176 3.044,1177 3.195,1178 3.279,1179 3.039,1180 2.932,1181 4.478,1182 2.946,1183 3.01,1184 3.109,1185 2.898,1186 2.767,1187 4.223,1188 2.79,1189 2.825,1190 2.903,1191 2.675,1192 2.637,1193 3.745,1194 2.628,1195 0.183,1196 0.129,1197 0.269,1198 0.165,1199 0.128,1200 4.746,1201 0.182,1202 3.358,1203 0.033,1204 7.002,1205 0.46,1206 4.281,1207 0.123,1208 3.315,1209 4.724,1210 0.86,1211 11.958,1212 3.202,1213 1.926,1214 1.91,1215 1.995,1216 2.037,1217 1.133,1218 2.02,1219 1.785,1220 1.742,1221 1.89,1222 1.979,1223 0.997,1224 1.954,1225 1.593,1226 1.536,1227 1.797,1228 1.794,1229 0.93,1230 1.791,1231 1.456,1232 1.383,1233 1.744,1234 1.689,1235 0.78,1236 1.718,1237 1.226,1238 1.162,1239 1.571,1240 1.523,1241 0.573,1242 1.536,1243 1.147,1244 1.069,1245 1.341,1246 1.425,1247 0.262,1248 1.413,1249 0.93,1250 0.859,1251 1.157,1252 1.215,1253 0.16,1254 1.204,1255 0.813,1256 0.729,1257 1.149,1258 1.135,1259 0.131,1260 1.144,1261 3.97,1263 5.283,1264 2.398,1265 6.815,1266 4.844,1267 8.452,1268 7.066,1269 10.146,1271 3.531,1275 6.066,1277 1.092,1279 10.979,1289 27.224,1290 69.522,1291 167.704,1292 209.065,1293 215.82,1294 215.82,1295 215.82,1296 34.557,1297 7.137,1298 88.08,1299 88.08,1300 17,1301 12.584,1302 4.17,1303 3.322,1304 39.006,1305 75,1306 90,1307 0.26,1308 170.205,1309 284.34,1310 407.06,1311 10280,1313 17.104,1314 0.713,1315 0.57,1316 17.104,1317 13.691,1318 11.689,1319 0.45,1320 0.292,1321 7.427,1322 11.067,1323 7.216,1324 6.041,1325 11.689,1326 7.583,1327 9.888,1328 0.275,1329 0.141,1330 9.888,1331 5.076,1332 8.652,1333 0.17,1334 0.071,1335 8.652,1336 3.598,1337 7.666,1338 0.108,1339 0.036,1340 7.666,1341 2.572,1342 6.307,1343 0.069,1344 0.019,1345 6.307,1346 1.731,1347 0.393,1348 74.34,1349 0.242,1350 22.901,1351 0.759,1352 124,1353 391.364,1354 139.525,1355 373.201,1356 520.68,1357 352,1358 149,1359 396.941,1360 165.886,1361 398.773,1362 587.42,1363 374,1364 4}
{0 CHEMBL1242572,1 1.489,2 7.958,3 2.883,4 8.311,5 93.575,6 7.79,7 0.714,8 3.866,9 4.004,10 3.492,11 3.404,12 4.965,13 3.402,14 4.405,15 4.58,16 3.884,17 3.845,18 5.434,19 3.819,20 4.64,21 4.874,22 3.872,23 3.904,24 5.587,25 3.845,26 4.618,27 4.863,28 3.877,29 3.848,30 5.652,31 3.807,32 4.524,33 4.745,34 3.764,35 3.825,36 5.524,37 3.774,38 4.488,39 4.687,40 3.752,41 3.82,42 5.529,43 3.761,44 4.58,45 4.825,46 3.618,47 3.776,48 5.565,49 3.674,50 4.516,51 4.814,52 3.248,53 3.554,54 5.372,55 3.396,56 0.086,57 0.723,58 7.985,59 3.216,60 9.403,61 4.324,62 0.154,63 1.169,64 15.04,65 5.759,66 16.361,67 8.008,68 0.197,69 1.326,70 21.755,71 7.229,72 22.467,73 10.703,74 0.358,75 1.303,76 21.847,77 6.402,78 33.744,79 9.569,80 0.256,81 1.212,82 18.776,83 5.752,84 26.32,85 8.37,86 0.197,87 1.193,88 17.141,89 5.948,90 23.211,91 8.447,92 0.283,93 1.193,94 20.833,95 6.938,96 34.327,97 10.174,98 0.304,99 0.992,100 21.975,101 6.839,102 34.24,103 10.446,104 2,105 41,106 0.257,107 0.658,108 0.78,109 0.834,110 0.834,111 0.834,112 3.231,113 0.883,114 -4.58,115 -4.5,116 -4.23,118 41.5,120 4,126 1,138 3,139 3,142 2,143 1,144 1,147 1,156 1,158 1,159 1,160 1,161 1,163 1,167 7,170 2,171 9,172 1,173 1,175 2,178 8,180 1,181 1,182 9,186 2,188 4,191 2,192 10,194 3,195 3,197 3,199 3,201 1,203 1,204 9,208 2,211 5,213 2,214 1,215 5,218 1,220 4,223 6,225 3,227 2,228 4,230 1,231 2,233 3,235 6,237 3,240 2,243 2,244 1,246 1,247 4,252 2,257 2,260 2,264 760,265 16.792,266 16.792,267 16.792,268 16.792,269 16.792,270 14.548,271 9.487,272 9.779,273 17.101,274 13.858,275 13.858,276 13.858,277 13.858,278 13.858,279 10.422,280 7.5,281 4.637,282 14.364,283 3.869,284 1.552,285 0.848,286 0.537,287 0.537,288 0.537,289 3.945,292 1,293 1,294 1,295 437,296 2.121,299 139.283,300 102.98,303 160.199,307 1.135,308 17.056,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51.5,320 191,321 4.766,322 3.389,323 7.051,324 4.312,325 3.349,326 4.738,328 12.147,329 3.229,330 4.415,331 2.95,332 6.293,333 3.916,334 2.936,335 4.353,337 9.503,338 2.873,339 3.904,340 2.766,341 6.145,342 3.645,343 2.677,344 3.312,346 8.961,347 2.591,348 3.761,349 2.405,350 5.751,351 3.347,352 2.38,353 3.198,355 7.634,356 2.301,357 3.239,358 2.038,359 5.079,360 2.949,361 1.996,362 2.366,364 5.69,365 1.899,366 3.051,367 1.552,368 4.519,369 2.515,370 1.552,371 2.322,373 4.384,374 1.503,375 3.033,376 1.533,377 4.333,378 2.492,379 1.533,380 2.3,382 4.052,383 1.457,384 2.654,385 1.41,386 4.234,387 2.308,388 1.345,389 1.72,391 3.529,392 1.292,393 2.601,394 1.154,395 3.672,396 2.095,397 1.151,398 1.636,400 2.661,401 1.084,402 2.411,403 0.973,404 3.431,405 1.923,406 0.966,407 1.376,409 2.308,410 0.922,411 1.911,412 0.702,413 3.248,414 1.663,415 0.683,416 0.792,417 1.74,418 0.668,419 1.837,420 0.618,421 3.036,422 1.618,423 0.618,424 0.618,425 1.372,426 0.618,427 1.618,428 0.4,429 3,430 1.368,431 0.395,432 0.584,433 0.983,434 0.384,435 1.061,436 -0.153,437 2.652,438 0.629,439 -0.286,440 -0.364,441 -0.672,442 -0.261,443 0.846,444 -0.589,445 2.461,446 0.376,447 -0.59,448 -0.817,449 -1.644,450 -0.568,451 11.3,452 0.471,453 0.534,454 0.022,455 33,456 1.375,457 16.5,458 0.688,459 16.5,460 0.688,461 18.359,462 0.765,463 24.7,464 0.602,465 21.645,466 0.902,467 6.02,468 0.251,469 5.789,470 0.241,471 0.035,473 0.389,478 0.839,479 1.147,480 0.735,481 0.941,482 0.917,483 0.842,484 0.795,485 1.154,486 0.803,487 1.024,488 0.603,489 0.934,490 0.924,491 1.197,492 0.863,493 1.041,494 0.69,495 0.96,496 1.084,497 0.911,498 0.872,499 0.795,500 0.956,501 0.799,502 1.357,503 1.015,504 1.112,505 0.934,506 1.163,507 0.975,508 1.11,509 1.206,510 1.156,511 1.209,512 1.347,513 1.193,514 0.922,515 1.052,516 1.145,517 1.193,518 1.328,519 1.203,520 0.846,521 0.853,522 1.056,523 1.03,524 1.052,525 1.068,526 3.5,528 2.889,529 1.764,530 1.522,531 0.716,532 0.469,533 0.348,534 0.148,535 0.047,536 6351,537 14940,538 2.262,539 41.5,540 4,541 4,542 1,543 1,544 3,546 4,549 1.676,550 2.182,551 3.02,552 1.039,553 1,554 1,556 1,558 61.034,559 1.489,560 3.805,561 4.51,562 4.821,563 4.821,564 4.821,565 2.44,566 4.22,567 4.558,568 3.145,569 868.043,570 7.902,571 9735.16,572 1,573 1,575 1,576 219.66,577 1.175,578 4.543,579 0.125,581 0.07,582 0.045,583 0.039,584 0.02,585 0.014,586 0.012,587 0.008,588 0.005,589 0.339,590 0.33,591 0.88,592 0.382,593 110.695,594 0.07,595 0.047,596 0.066,597 0.052,598 -0.007,599 0.057,600 0.093,601 -0.046,602 0.056,603 -0.025,604 0.164,605 0.003,606 0.003,607 -0.213,608 0.095,609 -0.053,610 0.142,611 0.02,612 0.06,613 0.105,614 0.115,615 0.135,616 0.103,617 0.134,618 -0.28,619 0.044,620 -0.178,621 0.008,622 -0.175,623 -0.055,624 -0.138,625 -0.134,626 -0.261,627 -0.241,628 -0.223,629 -0.265,630 0.039,631 -0.081,632 -0.174,633 -0.218,634 -0.14,635 -0.228,636 0.088,637 -0.004,638 0.004,639 -0.041,640 0.012,641 -0.033,642 1.193,643 2.173,644 0.958,645 17.167,646 1.003,647 1.136,648 3.347,649 11.2,650 0.679,651 3.367,652 3.738,653 4.111,654 4.466,655 4.682,656 4.883,657 5.081,658 5.268,659 5.328,660 5.384,661 5.036,662 0.653,663 319.41,664 3.367,665 4.934,666 5.832,667 6.746,668 7.662,669 8.584,670 9.507,671 10.433,672 11.359,673 12.288,674 17.1,678 1,682 2,684 4,689 4,690 5,691 4,692 1,695 3,696 1,697 20,708 1,716 41,718 20,719 1,720 28,722 45,723 17,724 12,725 3,726 3,728 5,729 7,735 5,738 5,740 12,741 5,756 1,757 1,760 17,761 5,762 3,763 7,769 7,775 0.6,785 2,788 1,793 3,794 2,797 2,819 3,827 24,828 1,833 4,837 1,858 11,859 7.333,860 5.111,861 2.63,863 3.983,864 1.515,865 1.079,866 3.068,867 11.719,868 3.664,869 4.363,870 5.091,871 5.796,872 6.355,873 6.837,874 7.362,875 7.89,876 8.22,877 8.651,878 1,879 39,880 8.847,881 3.917,882 7.563,883 17.239,884 15.026,885 2.063,886 49.5,889 1,890 164.795,891 73.509,892 118.234,897 73.509,898 164.795,899 118.234,901 10.138,902 70.373,903 80.383,904 40.291,905 14.099,906 141.253,908 164.795,909 191.742,913 117.711,914 47.084,917 43.812,918 81.033,919 66.897,921 164.795,922 118.234,923 73.509,926 164.795,927 27.414,928 47.871,929 16.663,930 99.794,931 164.795,932 118.234,933 73.509,935 0.589,936 0.362,937 0.212,938 0.108,939 24,940 9,941 0.044,942 2,943 2,944 1.174,945 3.633,946 219.375,947 0.174,948 23,949 104.039,954 13.937,955 5.283,956 2.139,957 3.639,958 99.794,959 9.51,960 17.809,961 2.89,964 2.291,965 2.046,966 49.56,967 356.538,968 38,980 41.131,981 46.564,983 0.278,984 0.71,985 0.842,986 0.9,987 0.9,988 0.9,989 4.913,990 1.345,991 5.826,992 4.052,993 4.419,994 5.05,996 6.706,997 4.351,998 6.145,999 1.151,1000 7.419,1001 3.529,1002 4.007,1003 4.956,1005 7.722,1006 3.908,1007 7.481,1008 0.966,1009 9.116,1010 2.661,1011 6.066,1012 7.401,1014 10.895,1015 5.935,1016 8.863,1017 0.683,1018 10.877,1019 2.308,1020 6.553,1021 8.224,1023 12.785,1024 6.39,1025 10.282,1026 0.618,1027 12.678,1028 1.74,1029 8.038,1030 10.1,1032 15.47,1033 7.843,1034 11.728,1035 0.395,1036 14.509,1037 1.372,1038 8.916,1039 11.326,1041 17.706,1042 8.688,1043 13.194,1044 -0.286,1045 16.359,1046 0.983,1047 10.195,1048 12.989,1050 20.243,1051 9.935,1052 3.349,1053 -0.59,1054 18.225,1055 -0.672,1056 11.245,1057 14.392,1059 22.624,1060 10.949,1061 2.936,1062 12.147,1063 20.102,1064 -1.644,1065 12.454,1066 15.973,1068 25.12,1069 12.123,1070 2.677,1071 9.503,1072 21.99,1073 4.738,1074 13.579,1075 17.452,1077 27.562,1078 13.212,1079 2.38,1080 8.961,1081 23.885,1082 4.353,1083 14.768,1084 19.004,1086 30.05,1087 14.365,1088 1.996,1089 7.634,1090 25.787,1091 3.312,1092 15.928,1093 20.516,1095 32.52,1096 15.488,1097 1.552,1098 5.69,1099 27.695,1100 3.198,1101 17.114,1102 22.058,1104 35.008,1105 16.637,1106 1.533,1107 4.384,1108 29.608,1109 2.366,1110 18.292,1111 23.586,1113 37.491,1114 17.777,1115 5770,1116 9007,1117 19.592,1118 27.847,1119 43.113,1120 43.039,1121 43.439,1122 43.235,1123 43.162,1124 58.631,1126 129.925,1127 41.644,1128 5.668,1129 5.389,1130 6.646,1131 5.387,1132 5.349,1133 7.738,1135 19.687,1136 5.229,1137 5.845,1138 1.54,1139 1.537,1140 1.551,1141 1.544,1142 1.541,1143 2.094,1145 4.64,1146 1.487,1147 4.172,1148 4.217,1149 4.149,1150 4.051,1151 5.26,1152 4.068,1153 4.017,1154 4.068,1155 3.982,1156 3.869,1157 5.088,1158 3.89,1159 3.793,1160 3.851,1161 3.667,1162 3.675,1163 4.855,1164 3.667,1165 3.41,1166 3.482,1167 3.349,1168 3.213,1169 4.529,1170 3.238,1171 3.226,1172 3.322,1173 3.142,1174 2.941,1175 4.313,1176 2.981,1177 2.993,1178 3.093,1179 2.886,1180 2.8,1181 4.145,1182 2.803,1183 2.889,1184 2.979,1185 2.761,1186 2.69,1187 3.772,1188 2.705,1189 2.869,1190 2.964,1191 2.583,1192 2.671,1193 3.656,1194 2.635,1195 0.17,1196 0.121,1197 0.252,1198 0.154,1199 0.12,1200 4.766,1201 0.169,1202 3.389,1204 7.051,1205 0.434,1206 4.312,1207 0.115,1208 3.349,1209 4.738,1211 12.147,1212 3.229,1213 1.959,1214 1.939,1215 2.025,1216 2.04,1217 1.244,1218 2.031,1219 1.8,1220 1.756,1221 1.893,1222 1.982,1223 1.211,1224 1.96,1225 1.597,1226 1.54,1227 1.86,1228 1.786,1229 1.174,1230 1.793,1231 1.577,1232 1.507,1233 1.757,1234 1.751,1235 0.875,1236 1.782,1237 1.363,1238 1.284,1239 1.524,1240 1.696,1241 0.494,1242 1.649,1243 1.134,1244 1.068,1245 1.243,1246 1.385,1247 0.239,1248 1.359,1249 0.906,1250 0.827,1251 1.146,1252 1.228,1253 0.168,1254 1.213,1255 0.812,1256 0.736,1257 1.096,1258 1.07,1259 0.094,1260 1.069,1261 4.043,1263 5.398,1264 3.434,1265 6.948,1266 5.733,1267 8.592,1268 7.803,1269 10.289,1275 6.173,1277 4.749,1281 0.393,1289 26.784,1290 61.034,1291 156.011,1292 184.905,1293 197.66,1294 197.66,1295 197.66,1296 28.055,1297 7.736,1298 98.3,1299 98.3,1300 27,1301 12.792,1302 4.392,1303 3.459,1304 30.081,1305 71,1306 66,1307 0.208,1308 161.014,1309 253.14,1310 384.635,1311 22600,1313 16.096,1314 0.671,1315 0.546,1316 16.096,1317 13.106,1318 11.81,1319 0.422,1320 0.294,1321 8.126,1322 11.355,1323 8.016,1324 6.601,1325 11.81,1326 8.237,1327 10.782,1328 0.263,1329 0.155,1330 10.782,1331 6.348,1332 9.878,1333 0.165,1334 0.082,1335 9.878,1336 4.898,1337 8.93,1338 0.104,1339 0.043,1340 8.93,1341 3.682,1342 6.856,1343 0.064,1344 0.02,1345 6.856,1346 2.158,1347 0.312,1348 73.955,1349 0.226,1350 22.753,1351 0.622,1352 138,1353 353.871,1354 150.545,1355 351.932,1356 506.33,1357 332,1358 170,1359 405.463,1360 184.543,1361 408.757,1362 606.34,1363 387,1364 5.854}
{0 CHEMBL1242573,1 1.654,2 7.391,3 2.413,4 5.82,5 86.545,6 8.415,7 0.769,8 3.77,9 3.907,10 3.44,11 3.268,12 4.997,13 3.291,14 4.266,15 4.443,16 3.846,17 3.666,18 5.462,19 3.685,20 4.446,21 4.642,22 3.901,23 3.752,24 5.657,25 3.763,26 4.534,27 4.752,28 3.921,29 3.754,30 5.83,31 3.752,32 4.452,33 4.672,34 3.692,35 3.687,36 5.62,37 3.651,38 4.36,39 4.554,40 3.709,41 3.631,42 5.586,43 3.604,44 4.476,45 4.737,46 3.552,47 3.538,48 5.743,49 3.463,50 4.303,51 4.609,52 3.212,53 3.212,54 5.421,55 3.127,56 0.133,57 0.719,58 6.149,59 2.747,60 10.299,61 3.372,62 0.254,63 1.121,64 12.072,65 4.61,66 22.843,67 6.01,68 0.342,69 1.298,70 15.47,71 5.253,72 28.845,73 6.802,74 0.551,75 1.361,76 18.225,77 5.744,78 50.666,79 7.709,80 0.46,81 1.178,82 16.717,83 5.319,84 45.508,85 7.042,86 0.318,87 1.139,88 13.598,89 5.111,90 26.048,91 6.778,92 0.584,93 1.105,94 19.395,95 5.738,96 71.043,97 8.356,98 0.459,99 0.863,100 19.603,101 5.566,102 49.193,103 7.952,104 18,105 39,106 0.293,107 0.72,108 0.82,109 0.83,110 0.83,111 0.83,112 3.191,113 0.829,114 -4.48,115 -4.41,116 -4.15,118 40.5,119 2,126 1,138 2,139 3,140 1,142 2,143 1,144 1,147 1,156 1,158 1,159 1,160 1,161 1,163 1,167 2,170 2,171 9,172 1,173 1,175 2,178 5,180 1,181 1,182 6,186 1,188 3,191 2,192 7,194 3,195 3,197 3,199 2,201 1,203 1,204 6,208 2,211 3,213 2,214 1,215 3,218 1,220 3,223 4,225 2,227 2,228 2,230 1,231 2,233 1,237 1,240 2,243 2,244 1,246 1,247 2,257 2,264 663,265 15.43,266 15.43,267 15.43,268 15.43,269 15.43,270 13.141,271 11.114,272 8.772,273 15.807,274 12.822,275 12.822,276 12.822,277 12.822,278 12.822,279 9.285,280 8.162,281 4.117,282 13.441,283 3.556,284 1.146,285 0.581,286 0.527,287 0.527,288 0.527,289 3.883,292 1,293 1,294 1,295 373,296 2.739,299 85.839,300 99.551,303 155.018,307 1.07,308 26.808,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 51,320 170,321 4.768,322 3.392,323 7.042,324 4.31,325 3.345,326 4.744,328 12.098,329 3.229,330 4.516,331 3.213,332 6.503,333 4.018,334 3.049,335 4.468,337 10.159,338 2.949,339 3.853,340 2.678,341 6.118,342 3.518,343 2.561,344 3.301,346 8.678,347 2.45,348 3.746,349 2.424,350 5.73,351 3.333,352 2.371,353 3.18,355 7.499,356 2.278,357 3.414,358 2.353,359 5.058,360 2.926,361 1.993,362 2.791,364 5.764,365 1.842,366 3.053,367 1.821,368 4.82,369 2.684,370 1.743,371 2.323,373 4.819,374 1.637,375 3.009,376 1.547,377 4.539,378 2.492,379 1.547,380 2.134,382 4.324,383 1.457,384 2.649,385 1.186,386 3.888,387 2.11,388 1.169,389 1.719,391 2.85,392 1.097,393 2.471,394 1,395 3.63,396 1.962,397 1,398 1.458,400 2.456,401 0.96,402 2.18,403 0.934,404 3.443,405 1.793,406 0.827,407 1.081,409 2.084,410 0.796,411 2.055,412 0.807,413 3.394,414 1.58,415 0.642,416 0.89,417 1.683,418 0.596,419 1.072,420 0.046,421 2.692,422 0.631,423 -0.286,424 -0.366,425 -0.673,426 -0.262,427 1.049,428 -0.155,429 2.572,430 0.581,431 -0.334,432 -0.443,433 -0.869,434 -0.297,435 0.745,436 -0.625,437 2.419,438 0.287,439 -0.666,440 -0.897,441 -1.919,442 -0.63,443 0.553,444 -0.815,445 2.253,446 0.054,447 -0.885,448 -1,449 -2,450 -0.827,451 10.586,452 0.46,453 0.699,454 0.03,455 32.25,456 1.402,457 16.5,458 0.717,459 15.75,460 0.685,461 17.071,462 0.742,463 24.214,464 0.654,465 22.891,466 0.995,467 6.265,468 0.272,469 4.794,470 0.208,471 0.159,473 0.463,477 1,478 0.693,479 1.084,480 0.671,481 0.959,482 0.676,483 0.833,484 0.717,485 1.057,486 0.612,487 0.878,488 0.563,489 0.745,490 1.072,491 1.219,492 0.862,493 0.988,494 0.921,495 0.887,496 0.923,497 0.97,498 0.893,499 0.942,500 0.953,501 0.917,502 1.091,503 0.958,504 1.168,505 1.011,506 0.971,507 1.08,508 0.802,509 1.219,510 1.04,511 1.345,512 0.905,513 1.276,514 0.729,515 0.808,516 1.059,517 1.081,518 0.87,519 1.144,520 1.135,521 1.02,522 0.876,523 0.913,524 1.239,525 0.865,526 4.5,528 3.111,529 2.229,530 1.998,531 0.747,532 0.662,533 0.421,534 0.194,535 0.056,536 5060,537 15143,538 2.115,539 37.8,541 3,542 1,543 1,544 3,546 6,549 1.665,550 1.944,551 2.926,552 1.118,553 1,554 1,556 1,558 61.192,559 1.654,560 4.063,561 4.628,562 4.682,563 4.682,564 4.682,565 2.225,566 4.056,567 4.499,568 3.044,569 770.152,570 7.785,571 8399.73,572 1,573 1,575 1,576 192.75,577 1.491,578 4.44,579 0.173,581 0.08,582 0.056,583 0.051,584 0.024,585 0.021,586 0.018,587 0.011,588 0.009,589 0.443,590 0.33,591 1,592 0.832,593 104.053,594 -0.018,595 -0.021,596 0.038,597 0.025,598 -0.1,599 0.041,600 0.022,601 -0.059,602 0.203,603 0.104,604 0.062,605 0.181,606 -0.15,607 -0.184,608 0.016,609 -0.02,610 -0.052,611 0.035,612 0.106,613 0.058,614 0.048,615 0.005,616 0.066,617 0.007,618 -0.155,619 0.036,620 -0.246,621 -0.05,622 -0.075,623 -0.14,624 0.025,625 -0.229,626 -0.177,627 -0.368,628 -0.067,629 -0.34,630 0.231,631 0.083,632 -0.023,633 -0.127,634 0.128,635 -0.144,636 0.063,637 -0.118,638 0.328,639 0.108,640 0.086,641 0.243,642 2.033,643 6.275,644 0.783,645 15.225,646 1.021,647 1.148,648 3.248,649 10.546,650 0.676,651 3.296,652 3.689,653 4.043,654 4.394,655 4.625,656 4.796,657 4.927,658 5.088,659 5.112,660 5.153,661 4.791,662 0.666,663 311.36,664 3.296,665 4.875,666 5.771,667 6.696,668 7.612,669 8.542,670 9.465,671 10.396,672 11.322,673 12.254,674 18.9,678 1,682 2,684 4,689 4,690 4,691 4,692 1,695 4,696 1,697 20,708 1,715 1,716 37,718 20,719 1,720 26,722 40,723 15,724 12,725 4,726 2,728 4,729 6,732 2,738 1,740 12,741 3,756 1,757 1,758 1,760 14,761 6,762 3,763 8,769 7,775 0.5,785 2,788 1,793 2,794 2,797 2,819 2,823 2,825 1,827 23,828 1,837 1,849 1,858 11.833,859 7.393,860 4.889,861 2.201,863 4.038,864 1.542,865 1.045,866 3.064,867 11.491,868 3.611,869 4.35,870 5.089,871 5.804,872 6.365,873 6.845,874 7.341,875 7.867,876 8.192,877 8.609,878 0.8,879 40,880 8.479,881 3.754,882 7.899,883 15.808,884 13.211,885 2.399,886 55.167,890 129.482,891 80.666,892 118.234,895 14.96,897 80.666,898 129.482,899 133.194,900 17.65,902 60.897,903 80.383,904 49.412,905 29.059,906 105.94,908 129.482,909 198.899,910 14.96,913 73.816,914 70.627,917 51.325,918 80.678,919 66.897,921 144.442,922 118.234,923 80.666,926 129.482,927 26.397,928 56.045,929 16.663,930 114.754,931 129.482,932 133.194,933 80.666,935 0.599,936 0.366,937 0.211,938 0.114,939 22,940 10,941 0.05,942 2,943 2,944 1.222,945 3.379,946 202.883,947 0.222,948 18,949 102.042,954 14.097,955 4.999,956 2.081,957 2.216,958 114.754,959 6.126,960 16.946,961 2.664,964 1.094,965 1.759,966 49.56,967 343.342,968 36,980 37.76,981 42.489,983 0.317,984 0.78,985 0.888,986 0.899,987 0.899,988 0.899,989 4.868,990 1.169,991 5.796,992 4.324,993 4.369,994 5.037,996 6.698,997 4.281,998 6.134,999 1,1000 7.413,1001 2.85,1002 4.111,1003 5.047,1005 7.763,1006 3.989,1007 7.488,1008 0.827,1009 9.13,1010 2.456,1011 6.047,1012 7.431,1014 10.924,1015 5.888,1016 8.884,1017 0.642,1018 10.905,1019 2.084,1020 6.608,1021 8.299,1023 12.82,1024 6.418,1025 10.314,1026 -0.286,1027 12.717,1028 1.683,1029 8.048,1030 10.156,1032 15.509,1033 7.825,1034 11.77,1035 -0.334,1036 14.555,1037 -0.673,1038 8.964,1039 11.406,1041 17.742,1042 8.708,1043 13.244,1044 -0.666,1045 16.41,1046 -0.869,1047 10.228,1048 13.064,1050 20.279,1051 9.94,1052 3.345,1053 -0.885,1054 18.28,1055 -1.919,1056 11.297,1057 14.481,1059 22.653,1060 10.976,1061 3.049,1062 12.098,1063 20.161,1064 -2,1065 12.502,1066 16.063,1068 25.143,1069 12.148,1070 2.561,1071 10.159,1072 22.05,1073 4.744,1074 13.637,1075 17.551,1077 27.578,1078 13.249,1079 2.371,1080 8.678,1081 23.947,1082 4.468,1083 14.825,1084 19.105,1086 30.057,1087 14.403,1088 1.993,1089 7.499,1090 25.85,1091 3.301,1092 15.99,1093 20.623,1095 32.518,1096 15.533,1097 1.743,1098 5.764,1099 27.758,1100 3.18,1101 17.175,1102 22.167,1104 34.997,1105 16.684,1106 1.547,1107 4.819,1108 29.671,1109 2.791,1110 18.354,1111 23.698,1113 37.471,1114 17.828,1115 4844,1116 8526,1117 17.224,1118 25.023,1119 40.966,1120 40.757,1121 42.331,1122 40.553,1123 40.491,1124 56.18,1126 124.828,1127 38.583,1128 5.446,1129 5.392,1130 6.569,1131 5.383,1132 5.345,1133 7.744,1135 19.577,1136 5.229,1137 11.558,1138 1.576,1139 1.568,1140 1.628,1141 1.56,1142 1.557,1143 2.161,1145 4.801,1146 1.484,1147 4.168,1148 4.21,1149 4.15,1150 4.046,1151 8.201,1152 4.065,1153 4.011,1154 4.062,1155 3.988,1156 3.848,1157 5.258,1158 3.877,1159 3.578,1160 3.656,1161 3.445,1162 3.411,1163 5.056,1164 3.402,1165 3.409,1166 3.478,1167 3.346,1168 3.213,1169 4.858,1170 3.239,1171 3.136,1172 3.231,1173 3.056,1174 2.864,1175 4.525,1176 2.902,1177 2.997,1178 3.099,1179 2.897,1180 2.75,1181 4.237,1182 2.771,1183 2.902,1184 3.009,1185 2.809,1186 2.667,1187 4.01,1188 2.699,1189 2.874,1190 2.964,1191 2.499,1192 2.618,1193 3.67,1194 2.57,1195 0.183,1196 0.13,1197 0.271,1198 0.166,1199 0.129,1200 4.768,1201 0.182,1202 3.392,1204 7.042,1205 0.465,1206 4.31,1207 0.124,1208 3.345,1209 4.744,1211 12.098,1212 3.229,1213 1.952,1214 1.935,1215 2,1216 2.043,1217 1.172,1218 2.026,1219 1.805,1220 1.759,1221 1.945,1222 1.994,1223 1.138,1224 1.976,1225 1.62,1226 1.556,1227 1.775,1228 1.816,1229 0.859,1230 1.815,1231 1.363,1232 1.283,1233 1.521,1234 1.697,1235 0.487,1236 1.65,1237 1.138,1238 1.069,1239 1.417,1240 1.407,1241 0.469,1242 1.374,1243 0.934,1244 0.821,1245 1.246,1246 1.239,1247 0.22,1248 1.308,1249 0.903,1250 0.804,1251 1.144,1252 1.228,1253 0.089,1254 1.212,1255 0.792,1256 0.727,1257 1.016,1258 1.075,1259 0.029,1260 1.065,1261 3.97,1263 5.342,1264 3.045,1265 6.909,1266 5.416,1267 8.57,1268 7.564,1269 10.283,1271 3.984,1273 14.275,1275 6.019,1281 0.083,1289 24.64,1290 61.192,1291 150.343,1292 171.24,1293 173.24,1294 173.24,1295 173.24,1296 36.738,1297 7.452,1298 98.3,1299 98.3,1300 22,1301 12.756,1302 4.392,1303 3.459,1304 31.578,1305 65,1306 56,1307 0.243,1308 150.421,1309 236.97,1310 358.787,1311 15602,1312 2.7,1313 16.137,1314 0.702,1315 0.547,1316 15.267,1317 12.578,1318 11.059,1319 0.425,1320 0.276,1321 7.045,1322 10.483,1323 6.863,1324 5.704,1325 10.648,1326 7.181,1327 10.52,1328 0.27,1329 0.144,1330 9.981,1331 5.621,1332 9.128,1333 0.163,1334 0.068,1335 8.729,1336 3.782,1337 8.235,1338 0.103,1339 0.034,1340 7.769,1341 2.699,1342 6.505,1343 0.064,1344 0.018,1345 6.227,1346 1.781,1347 0.361,1348 70.314,1349 0.241,1350 21.742,1351 0.733,1352 130,1353 433.982,1354 146.375,1355 400.464,1356 556.16,1357 374,1358 160,1359 431.796,1360 177.702,1361 429.066,1362 634.69,1363 404,1364 5.347}
{0 CHEMBL1242574,1 1.471,2 7.364,3 2.72,4 7.396,5 87.65,6 7.694,7 0.8,8 3.772,9 3.911,10 3.381,11 3.307,12 4.909,13 3.302,14 4.272,15 4.453,16 3.776,17 3.711,18 5.348,19 3.693,20 4.462,21 4.671,22 3.802,23 3.803,24 5.51,25 3.765,26 4.538,27 4.77,28 3.777,29 3.807,30 5.606,31 3.748,32 4.457,33 4.687,34 3.6,35 3.726,36 5.445,37 3.651,38 4.372,39 4.579,40 3.58,41 3.671,42 5.454,43 3.601,44 4.478,45 4.749,46 3.328,47 3.599,48 5.449,49 3.467,50 4.31,51 4.631,52 2.975,53 3.305,54 5.115,55 3.136,56 0.055,57 0.647,58 7.452,59 2.907,60 9.079,61 3.963,62 0.141,63 1.017,64 13.597,65 5.008,66 15.86,67 7.04,68 0.163,69 1.168,70 17.409,71 5.736,72 18.24,73 8.325,74 0.287,75 1.215,76 19.713,77 6.401,78 31.325,79 9.333,80 0.216,81 1.101,82 18.063,83 5.723,84 23.392,85 8.363,86 0.133,87 1.043,88 15.716,89 5.377,90 22.29,91 7.757,92 0.296,93 1.03,94 19.988,95 6.144,96 37.303,97 9.178,98 0.178,99 0.779,100 18.67,101 5.795,102 24.879,103 9.023,104 11,105 37,106 0.259,107 0.675,108 0.798,109 0.835,110 0.835,111 0.835,112 3.149,113 0.865,114 -4.28,115 -4.22,116 -3.98,118 42.1,119 2,126 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 7,172 1,173 1,175 4,178 7,180 1,181 1,182 5,186 2,188 6,191 2,192 7,194 3,195 3,197 2,199 4,201 1,204 6,206 1,208 3,211 3,213 2,215 6,218 1,220 3,223 5,225 3,228 3,231 2,232 1,233 1,234 1,235 2,237 1,240 2,245 3,247 2,249 1,260 2,264 596,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.687,271 9.487,272 8.559,273 15.255,274 12.338,275 12.338,276 12.338,277 12.338,278 12.338,279 8.888,280 7.5,281 4.022,282 12.854,283 3.777,284 1.419,285 0.724,286 0.513,287 0.513,288 0.513,289 3.844,292 1,293 1,294 1,295 358,296 2.646,299 81.99,300 94.212,303 147.247,307 1.091,308 14.836,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47,320 162,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.222,330 4.414,331 2.939,332 6.253,333 3.909,334 2.93,335 4.353,337 9.393,338 2.868,339 3.852,340 2.666,341 6.073,342 3.515,343 2.557,344 3.301,346 8.572,347 2.448,348 3.746,349 2.404,350 5.713,351 3.333,352 2.37,353 3.179,355 7.457,356 2.279,357 3.056,358 1.822,359 4.82,360 2.685,361 1.743,362 2.328,364 4.819,365 1.638,366 3.034,367 1.55,368 4.518,369 2.509,370 1.55,371 2.3,373 4.378,374 1.494,375 3.009,376 1.533,377 4.333,378 2.494,379 1.533,380 2.133,382 4.044,383 1.46,384 2.636,385 1.155,386 3.864,387 2.104,388 1.153,389 1.7,391 2.795,392 1.094,393 2.47,394 1,395 3.509,396 1.962,397 1,398 1.457,400 2.398,401 0.959,402 2.133,403 0.837,404 3.419,405 1.768,406 0.806,407 1.036,409 2.014,410 0.773,411 1.885,412 0.401,413 3.036,414 1.366,415 0.396,416 0.588,417 0.984,418 0.384,419 1.061,420 -0.155,421 2.652,422 0.628,423 -0.288,424 -0.367,425 -0.673,426 -0.263,427 0.846,428 -0.59,429 2.424,430 0.383,431 -0.59,432 -0.818,433 -1.644,434 -0.572,435 0.628,436 -0.797,437 2.259,438 0.114,439 -0.841,440 -1,441 -2,442 -0.791,443 0.545,444 -0.907,445 2.206,446 0.042,447 -0.922,448 -1.149,449 -2.365,450 -0.896,451 10.4,452 0.473,453 0.61,454 0.028,455 31.5,456 1.432,457 16.5,458 0.75,459 15,460 0.682,461 15.754,462 0.716,463 22.6,464 0.595,465 20.988,466 0.954,467 6.037,468 0.274,469 4.611,470 0.21,471 0.135,473 0.423,478 0.962,479 1.234,480 0.764,481 0.96,482 1.126,483 0.855,484 0.8,485 1.088,486 0.701,487 0.89,488 0.604,489 0.8,490 1.141,491 1.166,492 0.914,493 0.965,494 0.827,495 0.916,496 0.962,497 0.949,498 0.946,499 0.94,500 0.971,501 0.941,502 1.291,503 1.024,504 1.152,505 1.013,506 1.075,507 1.053,508 1.136,509 1.331,510 1.172,511 1.284,512 1.27,513 1.242,514 1.156,515 0.873,516 1.24,517 1.056,518 1.602,519 1.142,520 0.815,521 0.884,522 0.858,523 0.893,524 0.693,525 0.884,526 4,528 2.889,529 1.986,530 1.682,531 0.747,532 0.484,533 0.336,534 0.173,535 0.056,536 4631,537 11345,538 2.148,539 42.1,541 5,542 1,543 1,544 3,546 6,549 1.652,550 2,551 2.918,552 1.069,553 1,554 1,556 1,558 55.911,559 1.471,560 3.829,561 4.524,562 4.735,563 4.735,564 4.735,565 2.244,566 4.096,567 4.433,568 3.039,569 701.894,570 7.649,571 7411.73,572 1,573 1,574 1,575 1,576 199.421,577 1.437,578 4.388,579 0.16,581 0.078,582 0.054,583 0.048,584 0.026,585 0.017,586 0.017,587 0.012,588 0.009,589 0.421,590 0.5,591 1,592 0.797,593 98.122,594 -0.015,595 -0.053,596 0.053,597 0.019,598 -0.201,599 0.042,600 0.165,601 0.014,602 0.181,603 0.088,604 0.182,605 0.128,606 -0.104,607 -0.106,608 0.009,609 -0.01,610 0.029,611 0.012,612 0.119,613 0.078,614 0.014,615 0.005,616 0.091,617 -0.004,618 -0.232,619 0.003,620 -0.203,621 -0.065,622 -0.134,623 -0.118,624 -0.138,625 -0.284,626 -0.258,627 -0.327,628 -0.123,629 -0.313,630 -0.091,631 0.071,632 -0.229,633 -0.109,634 -0.333,635 -0.175,636 0.062,637 -0.09,638 0.23,639 0.112,640 0.221,641 0.181,642 1.21,643 2.088,644 0.818,645 14.281,646 1.001,647 1.133,648 3.051,649 9.306,650 0.68,651 3.258,652 3.638,653 3.989,654 4.331,655 4.564,656 4.718,657 4.844,658 4.997,659 5.011,660 5.063,661 4.727,662 0.652,663 292.38,664 3.258,665 4.828,666 5.72,667 6.637,668 7.55,669 8.473,670 9.393,671 10.318,672 11.241,673 12.168,674 15.8,678 1,682 2,684 3,689 4,690 6,691 3,692 1,695 3,696 1,697 20,708 1,716 38,718 20,719 1,720 25,722 41,723 16,724 13,725 3,726 3,728 4,729 6,732 2,738 1,740 13,741 3,756 1,757 1,760 16,761 4,762 3,763 6,769 6,775 0.5,785 1,788 1,789 1,793 2,794 2,797 2,819 2,823 2,827 22,828 1,837 1,858 11,859 7.467,860 4.694,861 2.287,863 4.036,864 1.548,865 1.051,866 2.91,867 11.394,868 3.584,869 4.311,870 5.047,871 5.756,872 6.317,873 6.781,874 7.281,875 7.804,876 8.115,877 8.545,878 0.8,879 37,880 8.074,881 3.486,882 7.614,883 15.517,884 13.014,885 2.114,886 46.5,890 153.024,891 90.497,892 101.693,897 90.497,898 153.024,899 101.693,900 17.65,902 79.85,903 63.72,904 38.269,905 16.243,906 129.482,908 153.024,909 192.19,913 82.398,914 70.627,917 49.303,918 92.653,919 50.234,921 153.024,922 101.693,923 90.497,926 153.024,927 17.276,928 74.998,929 16.786,930 83.131,931 153.024,932 101.693,933 90.497,935 0.595,936 0.361,937 0.208,938 0.113,939 21,940 9,941 0.049,942 2,943 2,944 1.222,945 3.351,946 189.252,947 0.222,948 18,949 96.107,954 13.286,955 4.818,956 2.011,957 3.812,958 83.131,959 11.652,960 13.219,961 3.225,964 2.276,965 1.89,966 49.683,967 345.215,968 35,980 38.029,981 43.066,983 0.28,984 0.73,985 0.862,986 0.902,987 0.902,988 0.902,989 4.828,990 1.153,991 5.733,992 4.044,993 4.317,994 4.997,996 6.621,997 4.242,998 6.086,999 1,1000 7.339,1001 2.795,1002 4.007,1003 4.956,1005 7.667,1006 3.908,1007 7.431,1008 0.806,1009 9.047,1010 2.398,1011 5.979,1012 7.379,1014 10.823,1015 5.838,1016 8.82,1017 0.396,1018 10.814,1019 2.014,1020 6.509,1021 8.216,1023 12.718,1024 6.342,1025 10.245,1026 -0.288,1027 12.62,1028 0.984,1029 7.965,1030 10.091,1032 15.4,1033 7.762,1034 11.695,1035 -0.59,1036 14.452,1037 -0.673,1038 8.862,1039 11.321,1041 17.638,1042 8.63,1043 13.165,1044 -0.841,1045 16.304,1046 -1.644,1047 10.131,1048 12.984,1050 20.174,1051 9.866,1052 3.339,1053 -0.922,1054 18.171,1055 -2,1056 11.189,1057 14.388,1059 22.556,1060 10.891,1061 2.93,1062 12.088,1063 20.049,1064 -2.365,1065 12.395,1066 15.97,1068 25.05,1069 12.062,1070 2.557,1071 9.393,1072 21.937,1073 4.737,1074 13.524,1075 17.449,1077 27.492,1078 13.157,1079 2.37,1080 8.572,1081 23.832,1082 4.353,1083 14.711,1084 19.001,1086 29.977,1087 14.309,1088 1.743,1089 7.457,1090 25.735,1091 3.301,1092 15.873,1093 20.513,1095 32.445,1096 15.435,1097 1.55,1098 4.819,1099 27.643,1100 3.179,1101 17.058,1102 22.055,1104 34.93,1105 16.585,1106 1.533,1107 4.378,1108 29.556,1109 2.328,1110 18.236,1111 23.583,1113 37.411,1114 17.726,1115 4398,1116 7009,1117 16.819,1118 25.841,1119 39.193,1120 38.662,1121 40.034,1122 38.774,1123 38.753,1124 54.225,1126 117.881,1127 37.234,1128 5.437,1129 5.376,1130 6.567,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.222,1137 9.728,1138 1.568,1139 1.546,1140 1.601,1141 1.551,1142 1.55,1143 2.169,1145 4.715,1146 1.489,1147 4.175,1148 4.215,1149 4.148,1150 4.071,1151 5.258,1152 4.083,1153 4.022,1154 4.071,1155 3.989,1156 3.871,1157 4.983,1158 3.898,1159 3.578,1160 3.656,1161 3.445,1162 3.414,1163 4.845,1164 3.404,1165 3.418,1166 3.474,1167 3.341,1168 3.278,1169 4.517,1170 3.288,1171 3.132,1172 3.227,1173 3.016,1174 2.898,1175 4.246,1176 2.919,1177 2.994,1178 3.099,1179 2.873,1180 2.766,1181 4.036,1182 2.775,1183 2.898,1184 3.009,1185 2.774,1186 2.669,1187 3.754,1188 2.701,1189 2.874,1190 2.969,1191 2.499,1192 2.618,1193 3.646,1194 2.57,1195 0.19,1196 0.135,1197 0.282,1198 0.172,1199 0.134,1200 4.762,1201 0.189,1202 3.376,1204 7.039,1205 0.484,1206 4.303,1207 0.129,1208 3.339,1209 4.737,1211 12.088,1212 3.222,1213 1.966,1214 1.946,1215 2.035,1216 2.051,1217 1.191,1218 2.043,1219 1.808,1220 1.761,1221 1.947,1222 2.003,1223 1.142,1224 1.983,1225 1.622,1226 1.558,1227 1.782,1228 1.82,1229 0.868,1230 1.819,1231 1.482,1232 1.419,1233 1.657,1234 1.696,1235 0.655,1236 1.692,1237 1.183,1238 1.123,1239 1.417,1240 1.42,1241 0.469,1242 1.394,1243 0.934,1244 0.84,1245 1.29,1246 1.247,1247 0.349,1248 1.308,1249 0.924,1250 0.804,1251 1.182,1252 1.239,1253 0.167,1254 1.238,1255 0.817,1256 0.742,1257 1.101,1258 1.091,1259 0.04,1260 1.086,1261 3.932,1263 5.293,1264 3.045,1265 6.851,1266 5.416,1267 8.502,1268 7.554,1269 10.204,1271 4.144,1275 6.088,1281 0.194,1289 24.762,1290 55.911,1291 145.505,1292 171.911,1293 179.911,1294 179.911,1295 179.911,1296 25.366,1297 7.358,1298 85.41,1299 85.41,1300 22,1301 12.673,1302 4.392,1303 3.459,1304 29.673,1305 61,1306 56,1307 0.243,1308 152.021,1309 237.2,1310 362.691,1311 14040,1313 15.267,1314 0.694,1315 0.564,1316 15.267,1317 12.408,1318 10.648,1319 0.426,1320 0.288,1321 7.114,1322 10.254,1323 6.897,1324 5.761,1325 10.648,1326 7.211,1327 9.981,1328 0.27,1329 0.152,1330 9.981,1331 5.624,1332 8.729,1333 0.165,1334 0.072,1335 8.729,1336 3.836,1337 7.769,1338 0.104,1339 0.037,1340 7.769,1341 2.753,1342 6.227,1343 0.066,1344 0.019,1345 6.227,1346 1.831,1347 0.361,1348 66.484,1349 0.244,1350 21.001,1351 0.729,1352 124,1353 320.226,1354 135.157,1355 320.924,1356 461.49,1357 302,1358 152,1359 369.265,1360 164.462,1361 375.027,1362 554.89,1363 354,1364 6.538}
{0 CHEMBL1242656,1 1.674,2 8.375,3 3.292,4 10.836,5 90.268,6 7.795,7 0.593,8 3.871,9 3.997,10 3.471,11 3.385,12 5.036,13 3.386,14 4.409,15 4.581,16 3.882,17 3.815,18 5.522,19 3.796,20 4.699,21 4.915,22 3.947,23 3.916,24 5.885,25 3.873,26 4.741,27 5,28 3.884,29 3.872,30 5.814,31 3.822,32 4.592,33 4.822,34 3.808,35 3.832,36 5.652,37 3.788,38 4.547,39 4.741,40 3.814,41 3.837,42 5.72,43 3.791,44 4.645,45 4.879,46 3.679,47 3.792,48 5.806,49 3.698,50 4.567,51 4.842,52 3.342,53 3.563,54 5.725,55 3.421,56 0.106,57 0.743,58 8.203,59 3.629,60 14.314,61 4.602,62 0.201,63 1.205,64 15.506,65 6.376,66 24.877,67 8.471,68 0.46,69 1.438,70 23.474,71 7.878,72 66.624,73 11.077,74 0.554,75 1.404,76 26.641,77 7.81,78 63.249,79 11.345,80 0.404,81 1.245,82 21.142,83 6.203,84 40.656,85 9.24,86 0.361,87 1.273,88 18.691,89 6.325,90 39.261,91 8.912,92 0.493,93 1.274,94 22.769,95 7.494,96 61.27,97 10.772,98 0.537,99 1.08,100 23.545,101 7.463,102 80.845,103 10.785,104 17,105 40,106 0.292,107 0.694,108 0.829,109 0.888,110 0.888,111 0.888,112 3.23,113 0.891,114 -5.26,115 -5.15,116 -4.81,118 40.5,119 1,120 3,121 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 7,170 2,171 7,172 1,173 1,175 2,178 8,180 1,181 1,182 7,186 2,188 4,191 2,192 10,194 3,195 3,197 2,199 3,201 1,204 8,206 1,208 3,211 4,213 2,215 5,218 1,220 3,223 7,225 3,228 2,231 2,232 1,233 2,234 1,235 7,237 2,240 1,245 3,247 4,249 1,257 2,260 1,264 754,265 16.085,266 16.085,267 16.085,268 16.085,269 16.085,270 14.149,271 12.029,272 9.175,273 16.416,274 13.304,275 13.304,276 13.304,277 13.304,278 13.304,279 10.385,280 8.729,281 4.351,282 13.897,283 3.718,284 1.418,285 0.643,286 0.304,287 0.304,288 0.304,289 3.922,292 1,293 1,294 1,295 439,296 2.236,299 98.563,300 122.89,303 87.109,307 1.24,308 30.99,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 53,320 201,321 4.764,322 3.397,323 7.051,324 4.313,325 3.35,326 4.733,328 12.15,329 3.227,330 4.219,331 3.166,332 6.275,333 3.823,334 2.858,335 3.88,337 9.38,338 2.76,339 3.909,340 2.841,341 5.978,342 3.681,343 2.715,344 3.251,346 8.367,347 2.615,348 3.681,349 2.456,350 5.687,351 3.279,352 2.329,353 3.086,355 7.349,356 2.2,357 3.431,358 2.277,359 5.257,360 3.188,361 2.227,362 2.542,364 6.409,365 2.134,366 3,367 1.871,368 4.75,369 2.616,370 1.665,371 2.236,373 4.851,374 1.581,375 2.875,376 1.735,377 4.469,378 2.446,379 1.507,380 1.954,382 4.127,383 1.41,384 2.82,385 1.53,386 4.052,387 2.365,388 1.414,389 1.947,391 3.513,392 1.333,393 2.514,394 1.095,395 4.029,396 2.023,397 1.071,398 1.52,400 2.955,401 1.017,402 2.165,403 0.959,404 3.605,405 1.866,406 0.906,407 1.097,409 2.319,410 0.867,411 1.689,412 0.665,413 3.267,414 1.638,415 0.647,416 0.673,417 1.628,418 0.641,419 1.371,420 0.573,421 2.736,422 0.989,423 0.103,424 0.125,425 0.227,426 0.089,427 1.061,428 -0.141,429 2.541,430 0.626,431 -0.286,432 -0.363,433 -0.674,434 -0.261,435 0.782,436 -0.287,437 2.379,438 0.353,439 -0.594,440 -0.735,441 -1.604,442 -0.555,443 0.639,444 -0.637,445 2.369,446 0.275,447 -0.695,448 -0.777,449 -1.72,450 -0.664,451 11.119,452 0.463,453 0.716,454 0.03,455 31,456 1.292,457 15,458 0.625,459 16,460 0.667,461 20.073,462 0.836,463 26.081,464 0.621,465 21.954,466 0.915,467 5.651,468 0.235,469 5.891,470 0.245,471 0.137,473 0.441,477 1,478 0.747,479 1.094,480 0.743,481 1.001,482 0.737,483 0.896,484 0.602,485 1.071,486 0.717,487 1.055,488 0.502,489 0.941,490 0.775,491 1.176,492 0.88,493 1.107,494 0.629,495 1.032,496 0.88,497 0.847,498 0.851,499 0.79,500 0.795,501 0.799,502 0.821,503 0.848,504 0.961,505 0.827,506 0.543,507 0.879,508 0.795,509 1.035,510 1.102,511 1.161,512 0.734,513 1.178,514 0.712,515 0.988,516 1.108,517 1.202,518 0.782,519 1.235,520 0.806,521 0.81,522 1.044,523 1.111,524 0.91,525 1.143,526 5,527 0.049,528 3.333,529 2.139,530 1.772,531 0.851,532 0.677,533 0.524,534 0.224,535 0.117,536 5733,537 16032,538 2.11,539 42.9,540 6,541 4,543 1,544 3,546 4,549 1.677,550 1.946,551 3.056,552 1.039,553 1,554 1,556 1,558 70.322,559 1.674,560 3.974,561 4.749,562 5.089,563 5.089,564 5.089,565 2.507,566 4.335,567 4.555,568 3.161,569 872.559,570 7.904,571 9809.19,572 1,573 1,575 1,576 226.477,577 1.483,578 4.504,579 0.185,580 0.012,581 0.083,582 0.053,583 0.047,584 0.024,585 0.019,586 0.019,587 0.012,588 0.013,589 0.468,590 0.33,591 1,592 0.622,593 110.829,594 -0.056,595 -0.012,596 0.028,597 0.056,598 -0.082,599 0.058,600 0.063,601 -0.053,602 0.114,603 -0.022,604 0.085,605 0.038,606 0.081,607 -0.202,608 0.049,609 -0.123,610 0.168,611 -0.059,612 -0.004,613 0.076,614 0.137,615 0.137,616 -0.012,617 0.163,618 -0.116,619 0.033,620 -0.052,621 0.093,622 -0.018,623 0.058,624 -0.043,625 -0.052,626 -0.237,627 -0.199,628 -0.051,629 -0.245,630 0.103,631 -0.078,632 -0.168,633 -0.238,634 0.029,635 -0.261,636 0.153,637 0.036,638 -0.012,639 -0.129,640 0.116,641 -0.119,642 2.337,643 5.377,644 0.833,645 17.715,646 1.013,647 1.142,648 4.027,649 16.215,650 0.661,651 3.332,652 3.714,653 4.043,654 4.369,655 4.625,656 4.796,657 4.97,658 5.142,659 5.182,660 5.124,661 5.068,662 0.64,663 327.4,664 3.332,665 4.905,666 5.79,667 6.703,668 7.611,669 8.532,670 9.451,671 10.376,672 11.3,673 12.228,674 11.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 42,718 16,719 1,720 27,722 45,723 17,724 11,725 3,726 3,728 4,729 5,732 1,735 4,736 1,738 4,740 11,741 6,742 1,756 1,757 1,758 1,760 18,761 6,762 3,763 7,769 5,775 0.75,776 1,785 1,788 1,793 2,794 2,797 1,819 3,823 1,825 1,827 24,828 1,832 1,833 3,837 2,849 1,850 2.4,852 1,858 12.333,859 7.726,860 5.111,861 2.616,863 3.062,864 1.415,865 0.987,866 3.65,867 10.445,868 3.584,869 4.259,870 4.926,871 5.593,872 6.181,873 6.611,874 7.077,875 7.547,876 7.83,877 8.095,878 0.833,879 40,880 8.906,881 3.983,882 7.91,883 16.84,884 14.502,885 2.41,886 57.833,889 1,890 176.567,891 75.156,892 84.908,894 42.683,895 14.96,897 75.156,898 219.25,899 99.868,900 8.825,901 7.604,902 61.326,903 106.404,904 28.031,905 17.288,906 164.795,908 176.567,909 160.063,910 57.643,913 144.442,914 89.768,917 31.296,918 78.533,919 50.234,921 191.527,922 127.591,923 75.156,926 176.567,927 29.283,928 47.649,930 140.775,931 176.567,932 142.551,933 75.156,935 0.598,936 0.358,937 0.195,938 0.111,939 22,940 10,941 0.044,942 2,943 1,944 1.1,945 3.491,946 212.228,947 0.1,948 20,949 110.039,954 15.34,955 5.71,956 2.548,957 1.323,958 140.775,959 5.573,960 13.144,964 0.399,965 1.909,966 75.581,967 394.273,968 35,980 42.534,981 47.947,983 0.311,984 0.737,985 0.881,986 0.944,987 0.944,988 0.944,989 4.852,990 1.414,991 5.808,992 4.127,993 4.394,994 4.945,996 6.686,997 4.311,998 6.089,999 1.071,1000 7.41,1001 3.513,1002 4.111,1003 4.902,1005 7.706,1006 3.977,1007 7.425,1008 0.906,1009 9.112,1010 2.955,1011 6.052,1012 7.244,1014 10.859,1015 5.897,1016 8.801,1017 0.647,1018 10.871,1019 2.319,1020 6.581,1021 8.054,1023 12.733,1024 6.377,1025 10.211,1026 0.103,1027 12.668,1028 1.628,1029 8.021,1030 9.899,1032 15.424,1033 7.794,1034 11.647,1035 -0.286,1036 14.491,1037 0.227,1038 8.91,1039 11.106,1041 17.657,1042 8.639,1043 13.103,1044 -0.594,1045 16.336,1046 -0.674,1047 10.172,1048 12.76,1050 20.203,1051 9.872,1052 3.35,1053 -0.695,1054 18.196,1055 -1.604,1056 11.223,1057 14.153,1059 22.587,1060 10.883,1061 2.858,1062 12.15,1063 20.069,1064 -1.72,1065 12.425,1066 15.735,1068 25.09,1069 12.052,1070 2.715,1071 9.38,1072 21.954,1073 4.733,1074 13.551,1075 17.213,1077 27.538,1078 13.139,1079 2.329,1080 8.367,1081 23.847,1082 3.88,1083 14.737,1084 18.769,1086 30.03,1087 14.291,1088 2.227,1089 7.349,1090 25.749,1091 3.251,1092 15.899,1093 20.286,1095 32.505,1096 15.414,1097 1.665,1098 6.409,1099 27.657,1100 3.086,1101 17.085,1102 21.835,1104 34.997,1105 16.565,1106 1.507,1107 4.851,1108 29.571,1109 2.542,1110 18.265,1111 23.37,1113 37.483,1114 17.706,1115 5510,1116 9387,1117 17.918,1118 27.75,1119 41.767,1120 42.313,1121 43.654,1122 41.612,1123 41.586,1124 54.088,1126 126.549,1127 39.745,1128 5.666,1129 5.397,1130 6.579,1131 5.388,1132 5.35,1133 7.733,1135 19.703,1136 5.227,1137 12.209,1138 1.547,1139 1.567,1140 1.617,1141 1.541,1142 1.54,1143 2.003,1145 4.687,1146 1.472,1147 4.147,1148 4.194,1149 4.126,1150 4.006,1151 8.201,1152 4.028,1153 3.876,1154 3.913,1155 3.817,1156 3.782,1157 6.465,1158 3.78,1159 3.799,1160 3.842,1161 3.701,1162 3.674,1163 5.254,1164 3.681,1165 3.322,1166 3.413,1167 3.251,1168 3.064,1169 4.868,1170 3.091,1171 3.127,1172 3.209,1173 3.008,1174 2.948,1175 4.573,1176 2.949,1177 3.014,1178 3.117,1179 2.827,1180 2.759,1181 4.401,1182 2.768,1183 2.931,1184 2.978,1185 2.803,1186 2.745,1187 4.224,1188 2.747,1189 2.866,1190 2.96,1191 2.724,1192 2.608,1193 3.716,1194 2.624,1195 0.176,1196 0.126,1197 0.261,1198 0.16,1199 0.124,1200 4.764,1201 0.175,1202 3.397,1204 7.051,1205 0.45,1206 4.313,1207 0.12,1208 3.35,1209 4.733,1211 12.15,1212 3.227,1213 1.922,1214 1.903,1215 1.985,1216 2.034,1217 1.28,1218 2.014,1219 1.787,1220 1.742,1221 1.934,1222 1.973,1223 1.239,1224 1.951,1225 1.672,1226 1.612,1227 1.887,1228 1.831,1229 1.106,1230 1.867,1231 1.584,1232 1.527,1233 1.747,1234 1.778,1235 0.833,1236 1.774,1237 1.144,1238 1.086,1239 1.388,1240 1.404,1241 0.517,1242 1.384,1243 0.942,1244 0.845,1245 1.233,1246 1.231,1247 0.255,1248 1.253,1249 0.883,1250 0.837,1251 1.152,1252 1.206,1253 0.143,1254 1.207,1255 0.85,1256 0.739,1257 1.114,1258 1.132,1259 0.084,1260 1.13,1261 4.007,1263 5.371,1264 3.045,1265 6.923,1266 5.416,1267 8.564,1268 7.545,1269 10.255,1271 2.23,1273 13.377,1275 6.061,1276 9.684,1277 3.226,1281 0.909,1289 26.893,1290 70.322,1291 166.914,1292 199.458,1293 213.722,1294 213.722,1295 213.722,1296 44.11,1297 7.383,1298 89.85,1299 89.85,1300 22,1301 12.733,1302 4.087,1303 3.17,1304 33.546,1305 72,1306 74,1307 0.235,1308 162.941,1309 271.9,1310 389.336,1311 13901,1312 2.4,1313 16.845,1314 0.702,1315 0.553,1316 15.974,1317 13.277,1318 11.542,1319 0.427,1320 0.297,1321 7.899,1322 11.049,1323 7.742,1324 6.396,1325 11.131,1326 8.019,1327 10.919,1328 0.273,1329 0.162,1330 10.423,1331 6.489,1332 9.522,1333 0.17,1334 0.085,1335 8.86,1336 4.751,1337 8.034,1338 0.103,1339 0.045,1340 7.926,1341 3.511,1342 6.565,1343 0.065,1344 0.022,1345 6.365,1346 2.249,1347 0.351,1348 72.836,1349 0.236,1350 22.702,1351 0.704,1352 134,1353 424.153,1354 149.371,1355 389.167,1356 532.47,1357 362,1358 163,1359 403.657,1360 179.642,1361 401.156,1362 593.98,1363 378,1364 7.268}
{0 CHEMBL1242657,1 1.755,2 7.87,3 1.15,4 1.323,5 84.598,6 8.273,7 0.615,8 3.798,9 3.927,10 3.443,11 3.277,12 5.009,13 3.303,14 4.313,15 4.482,16 3.841,17 3.691,18 5.493,19 3.701,20 4.568,21 4.782,22 3.895,23 3.768,24 5.828,25 3.758,26 4.55,27 4.783,28 3.849,29 3.729,30 5.737,31 3.721,32 4.452,33 4.654,34 3.763,35 3.726,36 5.591,37 3.702,38 4.449,39 4.643,40 3.741,41 3.708,42 5.651,43 3.674,44 4.532,45 4.772,46 3.598,47 3.61,48 5.758,49 3.535,50 4.425,51 4.718,52 3.157,53 3.292,54 5.618,55 3.166,56 0.152,57 0.71,58 6.777,59 2.926,60 16.421,61 3.579,62 0.283,63 1.125,64 12.753,65 4.977,66 25.155,67 6.431,68 0.571,69 1.274,70 19.711,71 6.229,72 66.327,73 8.555,74 0.583,75 1.22,76 20.293,77 5.919,78 58.582,79 8.101,80 0.416,81 1.127,82 16.111,83 5.134,84 37.502,85 7.159,86 0.396,87 1.142,88 15.637,89 5.47,90 39.059,91 7.536,92 0.571,93 1.095,94 19.956,95 6.271,96 61.496,97 9.025,98 0.644,99 0.856,100 21.72,101 5.777,102 84.25,103 8.65,104 10,105 38,106 0.313,107 0.742,108 0.856,109 0.897,110 0.897,111 0.897,112 3.19,113 0.846,114 -4.01,115 -3.96,116 -3.75,118 39.5,120 1,124 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 6,172 1,173 1,175 3,178 3,180 1,181 1,182 4,184 1,186 2,188 3,191 2,192 6,194 3,195 4,197 2,199 2,201 1,204 5,206 2,208 4,211 1,213 2,215 3,218 1,220 3,223 2,225 2,231 3,232 2,233 2,234 2,235 1,245 2,256 1,264 674,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.702,271 16.309,272 9.039,273 16.033,274 12.821,275 12.821,276 12.821,277 12.821,278 12.821,279 9.901,280 17.265,281 4.272,282 13.509,283 3.493,284 1.083,285 0.441,286 0.211,287 0.211,288 0.211,289 3.884,293 1,294 1,295 398,296 2.121,299 92.649,300 116.507,303 82.153,307 1.115,308 31.517,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51.5,320 181,321 4.763,322 3.396,323 7.05,324 4.31,325 3.347,326 4.733,327 0.4,328 12.146,329 3.224,330 4.218,331 3.166,332 6.261,333 3.8,334 2.843,335 3.88,337 9.314,338 2.717,339 3.878,340 2.813,341 5.971,342 3.606,343 2.651,344 3.243,346 8.322,347 2.526,348 3.68,349 2.453,350 5.68,351 3.272,352 2.324,353 3.086,355 7.318,356 2.189,357 3.239,358 2.118,359 5.078,360 2.933,361 1.994,362 2.365,364 5.689,365 1.869,366 2.996,367 1.869,368 4.469,369 2.448,370 1.513,371 2.231,373 4.136,374 1.411,375 2.82,376 1.563,377 4.235,378 2.365,379 1.414,380 1.948,382 3.533,383 1.333,384 2.638,385 1.518,386 4.038,387 2.278,388 1.342,389 1.684,391 3.509,392 1.254,393 2.442,394 1.086,395 3.662,396 1.967,397 1.035,398 1.423,400 2.565,401 0.961,402 1.857,403 0.811,404 3.249,405 1.639,406 0.683,407 0.784,409 1.743,410 0.65,411 1.618,412 0.754,413 3,414 1.58,415 0.618,416 0.618,417 1.372,418 0.593,419 1.371,420 0.576,421 2.736,422 0.989,423 0.103,424 0.124,425 0.227,426 0.089,427 1.057,428 -0.144,429 2.462,430 0.619,431 -0.292,432 -0.371,433 -0.683,434 -0.265,435 0.781,436 -0.288,437 2.375,438 0.353,439 -0.595,440 -0.769,441 -1.604,442 -0.555,443 0.626,444 -0.688,445 2.333,446 0.132,447 -0.795,448 -1.041,449 -2.197,450 -0.731,451 10.519,452 0.457,453 0.61,454 0.027,455 31,456 1.348,457 15,458 0.652,459 16,460 0.696,461 16.667,462 0.725,463 24.881,464 0.655,465 22.424,466 0.975,467 6.091,468 0.265,469 5.057,470 0.22,471 0.097,473 0.418,477 1,478 0.814,479 1.138,480 0.712,481 0.966,482 0.754,483 0.836,484 0.724,485 1.085,486 0.752,487 1.018,488 0.557,489 0.909,490 0.841,491 1.106,492 0.864,493 1.012,494 0.679,495 0.95,496 0.963,497 0.852,498 0.892,499 0.781,500 0.902,501 0.799,502 0.799,503 0.934,504 1.039,505 0.995,506 0.573,507 1.042,508 0.746,509 1.095,510 1.077,511 1.262,512 0.715,513 1.251,514 0.676,515 0.963,516 1.074,517 1.227,518 0.766,519 1.256,520 0.915,521 0.702,522 1.051,523 0.972,524 0.981,525 1.043,526 4,527 0.02,528 3.111,529 1.819,530 1.647,531 0.796,532 0.551,533 0.398,534 0.172,535 0.087,536 5148,537 15945,538 2.141,539 39.5,541 8,543 1,544 4,547 2,549 1.666,550 2,551 2.981,552 1.908,553 1,554 1,556 1,558 66.705,559 1.755,560 4.165,561 4.807,562 5.037,563 5.037,564 5.037,565 2.426,566 3.882,567 4.495,568 3.09,569 781.869,570 7.783,571 8530.29,572 1,573 1,576 199.421,577 1.422,578 4.454,579 0.154,580 0.01,581 0.082,582 0.048,583 0.045,584 0.023,585 0.017,586 0.016,587 0.012,588 0.012,589 0.419,590 0.33,591 1,592 0.58,593 104.348,594 -0.112,595 -0.06,596 0.012,597 0.059,598 -0.107,599 0.069,600 -0.023,601 -0.055,602 0.046,603 -0.019,604 0.037,605 0.023,606 0.047,607 -0.133,608 0.067,609 -0.04,610 0.153,611 0.012,612 -0.056,613 0.12,614 0.065,615 0.152,616 -0.064,617 0.144,618 -0.125,619 -0.03,620 -0.192,621 -0.056,622 -0.046,623 -0.116,624 -0.027,625 -0.144,626 -0.23,627 -0.288,628 -0.042,629 -0.307,630 0.158,631 -0.093,632 -0.1,633 -0.27,634 0.062,635 -0.265,636 0.125,637 0.085,638 0.084,639 -0.011,640 0.105,641 0.017,642 2.346,643 5.325,644 0.87,645 16.378,646 1.023,647 1.148,648 2.781,649 7.734,650 0.664,651 3.296,652 3.664,653 4.007,654 4.331,655 4.575,656 4.754,657 4.913,658 5.056,659 5.075,660 5.004,661 4.871,662 0.654,663 314.36,664 3.296,665 4.86,666 5.746,667 6.655,668 7.565,669 8.484,670 9.403,671 10.327,672 11.25,673 12.177,674 15.8,676 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 38,718 16,719 1,720 26,722 41,723 15,724 11,725 3,726 3,728 4,729 5,735 2,738 2,740 11,741 4,756 1,757 1,758 1,760 15,761 7,762 4,763 8,769 6,775 0.75,776 1,785 1,788 1,790 1,793 2,794 2,797 1,815 1,819 3,825 1,827 23,828 1,832 1,833 3,834 1,837 1,849 1,850 2.6,852 1,858 11.5,859 6.643,860 4.944,861 2.199,863 3.077,864 1.423,865 1.01,866 3.399,867 10.352,868 3.555,869 4.23,870 4.912,871 5.581,872 6.169,873 6.598,874 7.058,875 7.518,876 7.792,877 8.05,878 1,879 38,880 8.513,881 3.815,882 7.978,883 15.9,884 13.508,885 2.478,886 57,890 129.482,891 65.473,892 102.919,894 42.683,895 14.96,897 65.473,898 172.165,899 117.879,901 6.746,902 79.337,903 106.404,904 28.031,905 17.288,906 117.711,908 129.482,909 168.391,910 57.643,913 120.9,914 66.226,917 39.624,918 78.533,919 50.234,921 144.442,922 145.602,923 65.473,926 129.482,927 28.425,928 38.824,929 18.011,930 140.775,931 129.482,932 160.562,933 65.473,935 0.592,936 0.36,937 0.199,938 0.109,939 21,940 9,941 0.049,942 2,943 1,944 1.1,945 3.435,946 200.199,947 0.1,948 20,949 104.042,954 14.364,955 5.442,956 2.328,957 1.26,958 158.785,959 5.498,960 12.986,964 0.316,965 1.836,966 93.591,967 355.517,968 34,980 38.869,981 43.615,983 0.334,984 0.794,985 0.916,986 0.96,987 0.96,988 0.96,989 4.812,990 1.342,991 5.753,992 3.533,993 4.344,994 4.916,995 0.278,996 6.629,997 4.245,998 6.045,999 1.035,1000 7.352,1001 3.509,1002 4.007,1003 4.856,1005 7.656,1006 3.858,1007 7.381,1008 0.683,1009 9.054,1010 2.565,1011 5.994,1012 7.227,1013 0.05,1014 10.82,1015 5.814,1016 8.759,1017 0.618,1018 10.818,1019 1.743,1020 6.509,1021 8.038,1023 12.708,1024 6.283,1025 10.173,1026 0.103,1027 12.62,1028 1.372,1029 7.965,1030 9.89,1031 0.008,1032 15.401,1033 7.711,1034 11.613,1035 -0.292,1036 14.45,1037 0.227,1038 8.854,1039 11.1,1041 17.641,1042 8.558,1043 13.074,1044 -0.595,1045 16.3,1046 -0.683,1047 10.123,1048 12.756,1049 0.001,1050 20.188,1051 9.795,1052 3.347,1053 -0.795,1054 18.166,1055 -1.604,1056 11.177,1057 14.151,1059 22.576,1060 10.811,1061 2.843,1062 12.146,1063 20.044,1064 -2.197,1065 12.383,1066 15.733,1068 25.08,1069 11.984,1070 2.651,1071 9.314,1072 21.932,1073 4.733,1074 13.512,1075 17.212,1077 27.529,1078 13.076,1079 2.324,1080 8.322,1081 23.828,1082 3.88,1083 14.702,1084 18.768,1086 30.022,1087 14.232,1088 1.994,1089 7.318,1090 25.732,1091 3.243,1092 15.865,1093 20.285,1095 32.497,1096 15.359,1097 1.513,1098 5.689,1099 27.642,1100 3.086,1101 17.054,1102 21.834,1104 34.989,1105 16.513,1106 1.414,1107 4.136,1108 29.558,1109 2.365,1110 18.235,1111 23.369,1113 37.476,1114 17.658,1115 4917,1116 8777,1117 17.512,1118 25.233,1119 39.656,1120 40.578,1121 41.079,1122 39.759,1123 39.736,1124 52.237,1125 0.8,1126 119.749,1127 37.631,1128 5.665,1129 5.396,1130 6.646,1131 5.387,1132 5.347,1133 7.733,1134 0.8,1135 19.683,1136 5.224,1137 10.157,1138 1.525,1139 1.561,1140 1.58,1141 1.529,1142 1.528,1143 2.009,1144 0.031,1145 4.606,1146 1.447,1147 4.142,1148 4.19,1149 4.123,1150 3.998,1151 8.201,1152 4.022,1153 3.858,1154 3.891,1155 3.814,1156 3.743,1157 6.465,1158 3.756,1159 3.749,1160 3.813,1161 3.64,1162 3.584,1163 5.254,1164 3.589,1165 3.276,1166 3.367,1167 3.223,1168 3.005,1169 4.87,1170 3.048,1171 3.038,1172 3.125,1173 2.964,1174 2.789,1175 4.573,1176 2.82,1177 2.931,1178 2.978,1179 2.804,1180 2.746,1181 4.427,1182 2.748,1183 2.866,1184 2.963,1185 2.739,1186 2.619,1187 4.271,1188 2.624,1189 2.818,1190 2.917,1191 2.562,1192 2.584,1193 3.699,1194 2.581,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.763,1201 0.182,1202 3.396,1203 0.015,1204 7.05,1205 0.467,1206 4.31,1207 0.124,1208 3.347,1209 4.733,1210 0.4,1211 12.146,1212 3.224,1213 1.922,1214 1.903,1215 1.985,1216 2.034,1217 1.241,1218 2.014,1219 1.784,1220 1.74,1221 1.887,1222 1.972,1223 1.107,1224 1.948,1225 1.584,1226 1.527,1227 1.758,1228 1.779,1229 0.94,1230 1.775,1231 1.423,1232 1.329,1233 1.685,1234 1.704,1235 0.82,1236 1.71,1237 1.124,1238 1.069,1239 1.24,1240 1.381,1241 0.256,1242 1.351,1243 0.883,1244 0.839,1245 1.152,1246 1.231,1247 0.143,1248 1.208,1249 0.868,1250 0.773,1251 1.114,1252 1.134,1253 0.084,1254 1.13,1255 0.755,1256 0.665,1257 0.98,1258 1.055,1260 1.041,1261 3.97,1263 5.323,1264 3.045,1265 6.872,1266 5.352,1267 8.515,1268 7.455,1269 10.209,1273 13.325,1275 6.018,1276 9.639,1277 2.656,1278 3.291,1281 0.176,1289 24.861,1290 66.705,1291 158.26,1292 182.666,1293 191.421,1294 191.421,1295 191.421,1296 39.934,1297 7.274,1298 101.88,1299 101.88,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.543,1305 66,1306 69,1307 0.24,1308 150.55,1309 248.3,1310 359.103,1311 12138,1312 2.6,1313 15.974,1314 0.695,1315 0.53,1316 15.104,1317 12.199,1318 11.148,1319 0.429,1320 0.282,1321 7.189,1322 10.58,1323 7.116,1324 5.83,1325 10.737,1326 7.332,1327 10.285,1328 0.271,1329 0.146,1330 9.789,1331 5.564,1332 9.187,1333 0.17,1334 0.076,1335 8.525,1336 4.118,1337 7.78,1338 0.104,1339 0.039,1340 7.672,1341 2.96,1342 6.179,1343 0.064,1344 0.019,1345 5.979,1346 1.796,1347 0.357,1348 70.973,1349 0.239,1350 21.849,1351 0.724,1352 128,1353 432.486,1354 144.758,1355 394.984,1356 538.93,1357 368,1358 156,1359 405.783,1360 174.168,1361 401.884,1362 595.54,1363 379,1364 6.308}
{0 CHEMBL1242658,1 1.755,2 7.87,3 1.15,4 1.323,5 84.598,6 8.273,7 0.615,8 3.798,9 3.927,10 3.443,11 3.277,12 5.009,13 3.303,14 4.313,15 4.482,16 3.841,17 3.691,18 5.493,19 3.701,20 4.568,21 4.782,22 3.895,23 3.768,24 5.828,25 3.758,26 4.55,27 4.783,28 3.849,29 3.729,30 5.737,31 3.721,32 4.452,33 4.654,34 3.763,35 3.726,36 5.591,37 3.702,38 4.449,39 4.643,40 3.741,41 3.708,42 5.651,43 3.674,44 4.532,45 4.772,46 3.598,47 3.61,48 5.758,49 3.535,50 4.425,51 4.718,52 3.157,53 3.292,54 5.618,55 3.166,56 0.152,57 0.71,58 6.777,59 2.926,60 16.421,61 3.579,62 0.283,63 1.125,64 12.753,65 4.977,66 25.155,67 6.431,68 0.571,69 1.274,70 19.711,71 6.229,72 66.327,73 8.555,74 0.583,75 1.22,76 20.293,77 5.919,78 58.582,79 8.101,80 0.416,81 1.127,82 16.111,83 5.134,84 37.502,85 7.159,86 0.396,87 1.142,88 15.637,89 5.47,90 39.059,91 7.536,92 0.571,93 1.095,94 19.956,95 6.271,96 61.496,97 9.025,98 0.644,99 0.856,100 21.72,101 5.777,102 84.25,103 8.65,104 10,105 38,106 0.313,107 0.742,108 0.856,109 0.897,110 0.897,111 0.897,112 3.19,113 0.846,114 -4.01,115 -3.96,116 -3.75,118 39.5,120 1,124 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 6,172 1,173 1,175 3,178 3,180 1,181 1,182 4,184 1,186 2,188 3,191 2,192 6,194 3,195 4,197 2,199 2,201 1,204 5,206 2,208 4,211 1,213 2,215 3,218 1,220 3,223 2,225 2,231 3,232 2,233 2,234 2,235 1,245 2,256 1,264 674,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.702,271 16.309,272 9.039,273 16.033,274 12.821,275 12.821,276 12.821,277 12.821,278 12.821,279 9.901,280 17.265,281 4.272,282 13.509,283 3.493,284 1.083,285 0.441,286 0.211,287 0.211,288 0.211,289 3.884,293 1,294 1,295 398,296 2.121,299 92.649,300 116.507,303 82.153,307 1.115,308 31.517,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51.5,320 181,321 4.763,322 3.396,323 7.05,324 4.31,325 3.347,326 4.733,327 0.4,328 12.146,329 3.224,330 4.218,331 3.166,332 6.261,333 3.8,334 2.843,335 3.88,337 9.314,338 2.717,339 3.878,340 2.813,341 5.971,342 3.606,343 2.651,344 3.243,346 8.322,347 2.526,348 3.68,349 2.453,350 5.68,351 3.272,352 2.324,353 3.086,355 7.318,356 2.189,357 3.239,358 2.118,359 5.078,360 2.933,361 1.994,362 2.365,364 5.689,365 1.869,366 2.996,367 1.869,368 4.469,369 2.448,370 1.513,371 2.231,373 4.136,374 1.411,375 2.82,376 1.563,377 4.235,378 2.365,379 1.414,380 1.948,382 3.533,383 1.333,384 2.638,385 1.518,386 4.038,387 2.278,388 1.342,389 1.684,391 3.509,392 1.254,393 2.442,394 1.086,395 3.662,396 1.967,397 1.035,398 1.423,400 2.565,401 0.961,402 1.857,403 0.811,404 3.249,405 1.639,406 0.683,407 0.784,409 1.743,410 0.65,411 1.618,412 0.754,413 3,414 1.58,415 0.618,416 0.618,417 1.372,418 0.593,419 1.371,420 0.576,421 2.736,422 0.989,423 0.103,424 0.124,425 0.227,426 0.089,427 1.057,428 -0.144,429 2.462,430 0.619,431 -0.292,432 -0.371,433 -0.683,434 -0.265,435 0.781,436 -0.288,437 2.375,438 0.353,439 -0.595,440 -0.769,441 -1.604,442 -0.555,443 0.626,444 -0.688,445 2.333,446 0.132,447 -0.795,448 -1.041,449 -2.197,450 -0.731,451 10.519,452 0.457,453 0.61,454 0.027,455 31,456 1.348,457 15,458 0.652,459 16,460 0.696,461 16.667,462 0.725,463 24.881,464 0.655,465 22.424,466 0.975,467 6.091,468 0.265,469 5.057,470 0.22,471 0.097,473 0.418,477 1,478 0.814,479 1.138,480 0.712,481 0.966,482 0.754,483 0.836,484 0.724,485 1.085,486 0.752,487 1.018,488 0.557,489 0.909,490 0.841,491 1.106,492 0.864,493 1.012,494 0.679,495 0.95,496 0.963,497 0.852,498 0.892,499 0.781,500 0.902,501 0.799,502 0.799,503 0.934,504 1.039,505 0.995,506 0.573,507 1.042,508 0.746,509 1.095,510 1.077,511 1.262,512 0.715,513 1.251,514 0.676,515 0.963,516 1.074,517 1.227,518 0.766,519 1.256,520 0.915,521 0.702,522 1.051,523 0.972,524 0.981,525 1.043,526 4,527 0.02,528 3.111,529 1.819,530 1.647,531 0.796,532 0.551,533 0.398,534 0.172,535 0.087,536 5148,537 15945,538 2.141,539 39.5,541 8,543 1,544 4,547 2,549 1.666,550 2,551 2.981,552 1.908,553 1,554 1,556 1,558 66.705,559 1.755,560 4.165,561 4.807,562 5.037,563 5.037,564 5.037,565 2.426,566 3.882,567 4.495,568 3.09,569 781.869,570 7.783,571 8530.29,572 1,573 1,576 199.421,577 1.422,578 4.454,579 0.154,580 0.01,581 0.082,582 0.048,583 0.045,584 0.023,585 0.017,586 0.016,587 0.012,588 0.012,589 0.419,590 0.33,591 1,592 0.58,593 104.348,594 -0.112,595 -0.06,596 0.012,597 0.059,598 -0.107,599 0.069,600 -0.023,601 -0.055,602 0.046,603 -0.019,604 0.037,605 0.023,606 0.047,607 -0.133,608 0.067,609 -0.04,610 0.153,611 0.012,612 -0.056,613 0.12,614 0.065,615 0.152,616 -0.064,617 0.144,618 -0.125,619 -0.03,620 -0.192,621 -0.056,622 -0.046,623 -0.116,624 -0.027,625 -0.144,626 -0.23,627 -0.288,628 -0.042,629 -0.307,630 0.158,631 -0.093,632 -0.1,633 -0.27,634 0.062,635 -0.265,636 0.125,637 0.085,638 0.084,639 -0.011,640 0.105,641 0.017,642 2.346,643 5.325,644 0.87,645 16.378,646 1.023,647 1.148,648 2.781,649 7.734,650 0.664,651 3.296,652 3.664,653 4.007,654 4.331,655 4.575,656 4.754,657 4.913,658 5.056,659 5.075,660 5.004,661 4.871,662 0.654,663 314.36,664 3.296,665 4.86,666 5.746,667 6.655,668 7.565,669 8.484,670 9.403,671 10.327,672 11.25,673 12.177,674 15.8,676 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 38,718 16,719 1,720 26,722 41,723 15,724 11,725 3,726 3,728 4,729 5,735 2,738 2,740 11,741 4,756 1,757 1,758 1,760 15,761 7,762 4,763 8,769 6,775 0.75,776 1,785 1,788 1,790 1,793 2,794 2,797 1,815 1,819 3,825 1,827 23,828 1,832 1,833 3,834 1,837 1,849 1,850 2.6,852 1,858 11.5,859 6.643,860 4.944,861 2.199,863 3.077,864 1.423,865 1.01,866 3.399,867 10.352,868 3.555,869 4.23,870 4.912,871 5.581,872 6.169,873 6.598,874 7.058,875 7.518,876 7.792,877 8.05,878 1,879 38,880 8.513,881 3.815,882 7.978,883 15.9,884 13.508,885 2.478,886 57,890 129.482,891 65.473,892 102.919,894 42.683,895 14.96,897 65.473,898 172.165,899 117.879,901 6.746,902 79.337,903 106.404,904 28.031,905 17.288,906 117.711,908 129.482,909 168.391,910 57.643,913 120.9,914 66.226,917 39.624,918 78.533,919 50.234,921 144.442,922 145.602,923 65.473,926 129.482,927 28.425,928 38.824,929 18.011,930 140.775,931 129.482,932 160.562,933 65.473,935 0.592,936 0.36,937 0.199,938 0.109,939 21,940 9,941 0.049,942 2,943 1,944 1.1,945 3.435,946 200.199,947 0.1,948 20,949 104.042,954 14.364,955 5.442,956 2.328,957 1.26,958 158.785,959 5.498,960 12.986,964 0.316,965 1.836,966 93.591,967 355.517,968 34,980 38.869,981 43.615,983 0.334,984 0.794,985 0.916,986 0.96,987 0.96,988 0.96,989 4.812,990 1.342,991 5.753,992 3.533,993 4.344,994 4.916,995 0.278,996 6.629,997 4.245,998 6.045,999 1.035,1000 7.352,1001 3.509,1002 4.007,1003 4.856,1005 7.656,1006 3.858,1007 7.381,1008 0.683,1009 9.054,1010 2.565,1011 5.994,1012 7.227,1013 0.05,1014 10.82,1015 5.814,1016 8.759,1017 0.618,1018 10.818,1019 1.743,1020 6.509,1021 8.038,1023 12.708,1024 6.283,1025 10.173,1026 0.103,1027 12.62,1028 1.372,1029 7.965,1030 9.89,1031 0.008,1032 15.401,1033 7.711,1034 11.613,1035 -0.292,1036 14.45,1037 0.227,1038 8.854,1039 11.1,1041 17.641,1042 8.558,1043 13.074,1044 -0.595,1045 16.3,1046 -0.683,1047 10.123,1048 12.756,1049 0.001,1050 20.188,1051 9.795,1052 3.347,1053 -0.795,1054 18.166,1055 -1.604,1056 11.177,1057 14.151,1059 22.576,1060 10.811,1061 2.843,1062 12.146,1063 20.044,1064 -2.197,1065 12.383,1066 15.733,1068 25.08,1069 11.984,1070 2.651,1071 9.314,1072 21.932,1073 4.733,1074 13.512,1075 17.212,1077 27.529,1078 13.076,1079 2.324,1080 8.322,1081 23.828,1082 3.88,1083 14.702,1084 18.768,1086 30.022,1087 14.232,1088 1.994,1089 7.318,1090 25.732,1091 3.243,1092 15.865,1093 20.285,1095 32.497,1096 15.359,1097 1.513,1098 5.689,1099 27.642,1100 3.086,1101 17.054,1102 21.834,1104 34.989,1105 16.513,1106 1.414,1107 4.136,1108 29.558,1109 2.365,1110 18.235,1111 23.369,1113 37.476,1114 17.658,1115 4917,1116 8777,1117 17.512,1118 25.233,1119 39.656,1120 40.578,1121 41.079,1122 39.759,1123 39.736,1124 52.237,1125 0.8,1126 119.749,1127 37.631,1128 5.665,1129 5.396,1130 6.646,1131 5.387,1132 5.347,1133 7.733,1134 0.8,1135 19.683,1136 5.224,1137 10.157,1138 1.525,1139 1.561,1140 1.58,1141 1.529,1142 1.528,1143 2.009,1144 0.031,1145 4.606,1146 1.447,1147 4.142,1148 4.19,1149 4.123,1150 3.998,1151 8.201,1152 4.022,1153 3.858,1154 3.891,1155 3.814,1156 3.743,1157 6.465,1158 3.756,1159 3.749,1160 3.813,1161 3.64,1162 3.584,1163 5.254,1164 3.589,1165 3.276,1166 3.367,1167 3.223,1168 3.005,1169 4.87,1170 3.048,1171 3.038,1172 3.125,1173 2.964,1174 2.789,1175 4.573,1176 2.82,1177 2.931,1178 2.978,1179 2.804,1180 2.746,1181 4.427,1182 2.748,1183 2.866,1184 2.963,1185 2.739,1186 2.619,1187 4.271,1188 2.624,1189 2.818,1190 2.917,1191 2.562,1192 2.584,1193 3.699,1194 2.581,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.763,1201 0.182,1202 3.396,1203 0.015,1204 7.05,1205 0.467,1206 4.31,1207 0.124,1208 3.347,1209 4.733,1210 0.4,1211 12.146,1212 3.224,1213 1.922,1214 1.903,1215 1.985,1216 2.034,1217 1.241,1218 2.014,1219 1.784,1220 1.74,1221 1.887,1222 1.972,1223 1.107,1224 1.948,1225 1.584,1226 1.527,1227 1.758,1228 1.779,1229 0.94,1230 1.775,1231 1.423,1232 1.329,1233 1.685,1234 1.704,1235 0.82,1236 1.71,1237 1.124,1238 1.069,1239 1.24,1240 1.381,1241 0.256,1242 1.351,1243 0.883,1244 0.839,1245 1.152,1246 1.231,1247 0.143,1248 1.208,1249 0.868,1250 0.773,1251 1.114,1252 1.134,1253 0.084,1254 1.13,1255 0.755,1256 0.665,1257 0.98,1258 1.055,1260 1.041,1261 3.97,1263 5.323,1264 3.045,1265 6.872,1266 5.352,1267 8.515,1268 7.455,1269 10.209,1273 13.325,1275 6.018,1276 9.639,1277 2.656,1278 3.291,1281 0.176,1289 24.861,1290 66.705,1291 158.26,1292 182.666,1293 191.421,1294 191.421,1295 191.421,1296 39.934,1297 7.274,1298 101.88,1299 101.88,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.543,1305 66,1306 69,1307 0.24,1308 150.55,1309 248.3,1310 359.103,1311 12138,1312 2.6,1313 15.974,1314 0.695,1315 0.53,1316 15.104,1317 12.199,1318 11.148,1319 0.429,1320 0.282,1321 7.189,1322 10.58,1323 7.116,1324 5.83,1325 10.737,1326 7.332,1327 10.285,1328 0.271,1329 0.146,1330 9.789,1331 5.564,1332 9.187,1333 0.17,1334 0.076,1335 8.525,1336 4.118,1337 7.78,1338 0.104,1339 0.039,1340 7.672,1341 2.96,1342 6.179,1343 0.064,1344 0.019,1345 5.979,1346 1.796,1347 0.357,1348 70.973,1349 0.239,1350 21.849,1351 0.724,1352 128,1353 432.486,1354 144.758,1355 394.984,1356 538.93,1357 368,1358 156,1359 405.783,1360 174.168,1361 401.884,1362 595.54,1363 379,1364 4}
{0 CHEMBL1242659,1 1.544,2 9.926,3 3.874,4 15.009,5 106.085,6 7.067,7 0.533,8 4.057,9 4.185,10 3.588,11 3.539,12 5.107,13 3.525,14 4.62,15 4.808,16 3.941,17 3.934,18 5.591,19 3.898,20 4.851,21 5.076,22 4.048,23 4.066,24 5.785,25 4.013,26 4.878,27 5.105,28 4.063,29 4.097,30 5.865,31 4.039,32 4.902,33 5.127,34 3.995,35 4.12,36 5.853,37 4.048,38 4.872,39 5.085,40 3.953,41 4.114,42 5.843,43 4.024,44 4.917,45 5.171,46 3.838,47 4.048,48 5.838,49 3.927,50 4.846,51 5.119,52 3.643,53 3.884,54 5.721,55 3.749,56 0.044,57 0.792,58 11.698,59 4.637,60 10.408,61 6.413,62 0.244,63 1.246,64 22.367,65 7.776,66 25.366,67 11.002,68 0.385,69 1.487,70 29.207,71 9.138,72 33.798,73 13.754,74 0.377,75 1.575,76 29.787,77 9.242,78 39.342,79 13.918,80 0.414,81 1.573,82 30.706,83 9.252,84 41.409,85 14.07,86 0.339,87 1.547,88 29.14,89 9.611,90 37.492,91 14.393,92 0.45,93 1.489,94 31.607,95 10.06,96 46.064,97 15.476,98 0.45,99 1.284,100 30.323,101 9.261,102 45.983,103 14.22,104 15,105 42,106 0.258,107 0.59,108 0.76,109 0.822,110 0.839,111 0.839,112 3.341,113 0.952,114 -5.08,115 -4.97,116 -4.66,118 38.5,119 1,120 5,123 1,124 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 7,170 2,171 10,172 1,173 1,175 1,178 7,180 1,181 2,182 11,188 5,191 2,192 12,194 3,195 3,197 1,199 4,201 1,203 1,204 10,208 2,211 6,213 2,214 2,215 6,220 3,223 8,225 3,227 3,228 2,230 1,231 1,233 2,235 7,237 2,239 2,240 4,242 1,243 1,245 1,247 5,249 1,252 5,260 1,264 1114,265 18.792,266 18.792,267 18.792,268 18.792,269 18.792,270 16.961,271 17.798,272 11.189,273 19.419,274 14.734,275 14.734,276 14.734,277 14.734,278 14.734,279 11.816,280 16.603,281 5.126,282 15.575,283 4.157,284 2.175,285 1.158,286 0.789,287 0.683,288 0.683,289 4.04,292 1,293 1,294 1,295 580,296 2.739,299 53.899,300 219.988,303 103.351,307 1.347,308 22.087,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 58.5,320 268,321 4.764,322 3.394,323 7.051,324 4.311,325 3.347,326 4.733,327 0.86,328 12.147,329 3.225,330 4.265,331 3.193,332 6.286,333 3.853,334 2.903,335 3.918,336 0.86,337 9.464,338 2.759,339 3.879,340 2.783,341 6.129,342 3.621,343 2.66,344 3.246,346 8.908,347 2.552,348 3.71,349 2.464,350 5.747,351 3.317,352 2.364,353 3.114,355 7.615,356 2.244,357 3.227,358 2.246,359 5.072,360 2.953,361 1.996,362 2.351,364 5.665,365 1.907,366 3.013,367 2.036,368 4.531,369 2.567,370 1.669,371 2.249,373 4.441,374 1.493,375 2.933,376 1.592,377 4.349,378 2.468,379 1.529,380 2.069,382 4.007,383 1.434,384 2.676,385 1.533,386 4.227,387 2.44,388 1.47,389 1.72,391 3.585,392 1.419,393 2.502,394 1.374,395 3.682,396 2.065,397 1.135,398 1.503,400 2.72,401 1.049,402 2.2,403 1.055,404 3.45,405 2,406 1,407 1.168,409 2.242,410 1,411 2.078,412 1,413 3.247,414 1.952,415 1,416 1.005,417 2.136,418 0.946,419 2,420 0.94,421 3.237,422 1.787,423 0.829,424 1,425 1.853,426 0.791,427 1.662,428 0.876,429 2.762,430 1.384,431 0.502,432 0.568,433 0.781,434 0.438,435 1.112,436 0.228,437 2.681,438 0.815,439 -0.108,440 -0.123,441 -0.183,442 -0.098,443 1.053,444 -0.138,445 2.534,446 0.632,447 -0.283,448 -0.354,449 -0.655,450 -0.258,451 12.667,452 0.469,453 0.534,454 0.02,455 33.5,456 1.241,457 15.5,458 0.574,459 18,460 0.667,461 24.592,462 0.911,463 29.933,464 0.576,465 24.135,466 0.894,467 6.119,468 0.227,469 7.105,470 0.263,471 0.111,473 0.347,478 0.876,479 1.369,480 0.826,481 1.202,482 0.944,483 1.033,484 1.11,485 1.109,486 0.863,487 0.999,488 0.78,489 0.918,490 1.004,491 1.126,492 0.822,493 0.917,494 0.748,495 0.853,496 0.973,497 1.061,498 0.932,499 0.98,500 0.893,501 0.947,502 1.231,503 1.039,504 1.095,505 0.941,506 1.124,507 0.979,508 0.966,509 1.233,510 1.153,511 1.208,512 1.224,513 1.203,514 0.714,515 1.066,516 1.032,517 1.117,518 1.11,519 1.114,520 0.906,521 0.968,522 1.003,523 1.028,524 0.995,525 1.029,526 4,527 0.066,528 3.111,529 2.104,530 1.838,531 1.07,532 0.642,533 0.471,534 0.277,535 0.167,536 7993,537 18422,538 2.12,539 48.1,540 6,541 9,543 1,544 2,546 7,549 1.708,550 2,551 3.264,552 0.267,554 1,558 80.278,559 1.544,560 3.526,561 4.542,562 4.912,563 5.018,564 5.018,565 2.7,566 4.533,567 4.722,568 3.377,569 1185.18,570 8.238,571 14598,573 1,575 1,576 296.423,577 1.352,578 4.694,579 0.133,580 0.005,581 0.074,582 0.046,583 0.04,584 0.025,585 0.016,586 0.014,587 0.01,588 0.009,589 0.372,590 0.17,591 1,592 0.983,593 131.073,594 0.015,595 -0.109,596 0.074,597 -0.073,598 -0.015,599 -0.002,600 -0.003,602 0.099,603 0.045,604 0.134,605 0.075,606 0.062,607 -0.086,608 0.158,609 0.08,610 0.171,611 0.125,612 0.02,613 0.033,614 0.041,615 -0.006,616 0.101,617 0.014,618 -0.174,619 0.042,620 -0.118,621 0.035,622 -0.134,623 -0.019,624 -0.052,625 -0.136,626 -0.206,627 -0.192,628 -0.169,629 -0.218,630 0.136,631 -0.061,632 -0.068,633 -0.136,634 -0.037,635 -0.131,636 0.09,637 -0.042,638 -0.009,639 -0.072,640 0.063,641 -0.056,642 1.218,643 2.225,644 0.778,645 23.435,646 1,647 1.136,648 3.846,649 14.789,650 0.645,651 3.434,652 3.761,653 4.111,654 4.443,655 4.718,656 4.86,657 5.05,658 5.22,659 5.303,660 5.347,661 5.735,662 0.612,663 367.5,664 3.434,665 4.977,666 5.855,667 6.756,668 7.66,669 8.573,670 9.488,671 10.409,672 11.329,673 12.253,674 9.6,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 52,718 16,719 1,720 30,722 55,723 20,724 11,725 3,726 3,728 4,729 5,732 1,735 6,738 6,740 11,741 9,757 1,760 25,761 6,762 2,763 7,769 5,775 0.75,776 2,785 1,788 1,793 1,794 3,797 1,819 3,823 2,827 27,828 1,833 6,835 2,837 1,850 3.8,855 2,858 13.5,859 9.883,860 6.111,861 3.447,863 3.104,864 1.407,865 0.982,866 5.28,867 10.733,868 3.664,869 4.287,870 4.969,871 5.64,872 6.228,873 6.656,874 7.136,875 7.604,876 7.917,877 8.229,878 0.857,879 46,880 9.978,881 4.21,882 7.574,883 19.438,884 16.105,885 2.074,886 56,888 1,889 1,890 270.735,891 97.066,892 84.908,894 22,897 97.066,898 292.735,899 84.908,900 19.708,901 17.265,902 61.326,903 63.72,904 51.397,905 2.328,906 258.964,908 270.735,909 181.974,910 22,913 188.338,914 104.397,917 40.957,918 90.782,919 50.234,921 270.735,922 106.908,923 97.066,926 270.735,927 40.31,928 58.532,930 105.131,931 270.735,932 106.908,933 97.066,935 0.569,936 0.352,937 0.209,938 0.12,939 21,940 9,941 0.091,942 5,943 1,944 1.095,945 3.77,946 244.282,947 0.095,948 21,949 124.382,954 18.206,955 7.83,956 3.396,957 1.603,958 105.131,959 7.335,960 13.638,964 3.533,965 2.046,966 32.897,967 474.709,968 38,980 52,981 59.062,983 0.271,984 0.619,985 0.797,986 0.862,987 0.88,988 0.88,989 4.905,990 1.47,991 5.838,992 4.007,993 4.443,994 4.973,995 1.376,996 6.703,997 4.345,998 6.109,999 1.135,1000 7.424,1001 3.585,1002 4.007,1003 4.856,1005 7.722,1006 3.871,1007 7.432,1008 1,1009 9.117,1010 2.72,1011 6.071,1012 7.256,1013 1.159,1014 10.888,1015 5.892,1016 8.8,1017 1,1018 10.875,1019 2.242,1020 6.524,1021 8.05,1023 12.776,1024 6.303,1025 10.208,1026 0.829,1027 12.675,1028 2.136,1029 8.026,1030 9.91,1031 0.963,1032 15.462,1033 7.774,1034 11.646,1035 0.502,1036 14.504,1037 1.853,1038 8.883,1039 11.115,1041 17.698,1042 8.587,1043 13.105,1044 -0.108,1045 16.354,1046 0.781,1047 10.173,1048 12.772,1049 0.787,1050 20.236,1051 9.847,1052 3.347,1053 -0.283,1054 18.219,1055 -0.183,1056 11.213,1057 14.165,1059 22.617,1060 10.845,1061 2.903,1062 12.147,1063 20.096,1064 -0.655,1065 12.427,1066 15.746,1067 0.634,1068 25.114,1069 12.027,1070 2.66,1071 9.464,1072 21.983,1073 4.733,1074 13.549,1075 17.224,1077 27.557,1078 13.11,1079 2.364,1080 8.908,1081 23.879,1082 3.918,1083 14.74,1084 18.779,1085 0.504,1086 30.045,1087 14.268,1088 1.996,1089 7.615,1090 25.781,1091 3.246,1092 15.9,1093 20.295,1095 32.516,1096 15.39,1097 1.669,1098 5.665,1099 27.689,1100 3.114,1101 17.087,1102 21.844,1103 0.395,1104 35.005,1105 16.543,1106 1.529,1107 4.441,1108 29.602,1109 2.351,1110 18.266,1111 23.377,1113 37.488,1114 17.685,1115 7720,1116 11892,1117 20.285,1118 33.552,1119 44.884,1120 45.469,1121 46.816,1122 44.821,1123 44.806,1124 57.289,1125 3.44,1126 131.123,1127 42.512,1128 5.764,1129 5.394,1130 6.852,1131 5.384,1132 5.347,1133 7.733,1134 1.72,1135 19.683,1136 5.225,1137 11.634,1138 1.496,1139 1.516,1140 1.561,1141 1.494,1142 1.494,1143 1.91,1144 0.115,1145 4.371,1146 1.417,1147 4.144,1148 4.191,1149 4.124,1150 4.004,1151 5.257,1152 4.026,1153 3.874,1154 3.901,1155 3.821,1156 3.767,1157 4.936,1158 3.772,1159 3.79,1160 3.841,1161 3.667,1162 3.663,1163 4.83,1164 3.662,1165 3.465,1166 3.536,1167 3.305,1168 3.26,1169 4.513,1170 3.252,1171 3.324,1172 3.412,1173 3.218,1174 3.061,1175 4.478,1176 3.09,1177 3.242,1178 3.311,1179 3.073,1180 2.979,1181 4.274,1182 2.989,1183 3.111,1184 3.206,1185 2.923,1186 2.941,1187 4.148,1188 2.91,1189 3.045,1190 3.119,1191 2.866,1192 2.881,1193 3.74,1194 2.88,1195 0.159,1196 0.113,1197 0.235,1198 0.144,1199 0.112,1200 4.764,1201 0.158,1202 3.394,1203 0.029,1204 7.051,1205 0.405,1206 4.311,1207 0.108,1208 3.347,1209 4.733,1210 0.86,1211 12.147,1212 3.225,1213 1.929,1214 1.911,1215 2.099,1216 2.074,1217 1.486,1218 2.077,1219 1.892,1220 1.839,1221 1.995,1222 2.022,1223 1.131,1224 2.014,1225 1.731,1226 1.691,1227 1.82,1228 1.908,1229 0.947,1230 1.891,1231 1.462,1232 1.39,1233 1.771,1234 1.704,1235 0.906,1236 1.729,1237 1.309,1238 1.238,1239 1.574,1240 1.589,1241 0.825,1242 1.571,1243 1.191,1244 1.116,1245 1.513,1246 1.494,1247 0.768,1248 1.509,1249 1.153,1250 1.064,1251 1.504,1252 1.376,1253 0.573,1254 1.429,1255 1.023,1256 0.961,1257 1.218,1258 1.25,1259 0.257,1260 1.257,1261 4.111,1263 5.434,1264 2.398,1265 6.974,1266 4.844,1267 8.616,1268 7.081,1269 10.309,1271 3.586,1275 6.225,1277 6.544,1279 11.134,1281 0.355,1289 31.805,1290 80.278,1291 183.348,1292 236.184,1293 255.403,1294 260.913,1295 260.913,1296 39.72,1297 7.629,1298 88.08,1299 88.08,1300 23,1301 12.76,1302 4.087,1303 3.17,1304 39.907,1305 90,1306 111,1307 0.218,1308 194.516,1309 326.52,1310 466.379,1311 19342,1313 18.803,1314 0.696,1315 0.586,1316 18.803,1317 15.812,1318 13.224,1319 0.441,1320 0.317,1321 9.371,1322 12.608,1323 9.156,1324 7.609,1325 13.224,1326 9.525,1327 11.401,1328 0.271,1329 0.163,1330 11.401,1331 6.841,1332 10.162,1333 0.169,1334 0.086,1335 10.162,1336 5.176,1337 8.981,1338 0.107,1339 0.046,1340 8.981,1341 3.867,1342 7.545,1343 0.068,1344 0.025,1345 7.545,1346 2.814,1347 0.33,1348 83.509,1349 0.222,1350 25.346,1351 0.634,1352 144,1353 403.364,1354 159.858,1355 384.341,1356 542.21,1357 364,1358 174,1359 418.293,1360 191.386,1361 419.046,1362 621.33,1363 395,1364 4}
{0 CHEMBL1242660,1 1.652,2 8.08,3 2.377,4 5.65,5 95.953,6 7.466,7 0.593,8 3.945,9 4.066,10 3.511,11 3.361,12 5.111,13 3.379,14 4.462,15 4.649,16 3.861,17 3.706,18 5.533,19 3.724,20 4.549,21 4.706,22 4.024,23 3.867,24 5.703,25 3.881,26 4.738,27 4.922,28 4.076,29 3.985,30 5.879,31 3.969,32 4.836,33 5.029,34 3.938,35 4.012,36 5.877,37 3.961,38 4.79,39 4.986,40 3.872,41 3.971,42 5.842,43 3.893,44 4.881,45 5.161,46 3.738,47 3.86,48 5.862,49 3.744,50 4.687,51 4.96,52 3.545,53 3.607,54 5.631,55 3.518,56 0.098,57 0.685,58 9.727,59 3.778,60 10.834,61 5.08,62 0.433,63 1.009,64 19.278,65 5.756,66 29.861,67 7.995,68 0.465,69 1.195,70 19.503,71 6.112,72 24.146,73 8.806,74 0.506,75 1.365,76 24.284,77 7.867,78 37.23,79 11.176,80 0.678,81 1.375,82 28.19,83 8.412,84 45.541,85 11.9,86 0.487,87 1.338,88 26.051,89 8.628,90 36.091,91 12.56,92 0.768,93 1.256,94 32.144,95 8.723,96 65.021,97 14.089,98 0.608,99 0.967,100 27.038,101 7.109,102 44.463,103 11.091,104 53,105 39,106 0.284,107 0.61,108 0.713,109 0.724,110 0.734,111 0.765,112 3.269,113 0.867,114 -3.63,115 -3.6,116 -3.43,118 37,119 2,123 3,126 1,138 2,139 2,140 3,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 2,170 2,171 9,172 1,173 1,175 1,178 3,180 1,181 3,182 9,188 2,191 3,192 9,194 3,195 3,197 1,199 2,201 1,203 2,204 6,208 2,211 2,213 2,214 3,215 3,220 2,223 4,225 2,227 5,230 2,231 2,239 2,240 4,242 1,243 1,252 2,264 842,265 16.886,266 16.886,267 16.886,268 16.886,269 16.886,270 15.055,271 19.638,272 9.594,273 17.657,274 13.098,275 13.098,276 13.098,277 13.098,278 13.098,279 10.041,280 18.829,281 4.203,282 14.046,283 3.872,284 1.979,285 1.381,286 1.322,287 1.262,288 1.082,289 3.943,292 1,293 1,294 1,295 420,296 3.24,299 50.524,300 137.091,303 96.378,307 1.13,308 24.192,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 55.5,320 202,321 4.765,322 3.422,323 7.042,324 4.309,325 3.345,326 4.734,327 0.86,328 12.099,329 3.225,330 4.406,331 3.309,332 6.532,333 3.983,334 3.04,335 4.099,336 0.86,337 10.286,338 2.862,339 3.83,340 2.685,341 6.119,342 3.509,343 2.557,344 3.228,345 0.86,346 8.678,347 2.429,348 3.716,349 2.555,350 5.729,351 3.315,352 2.361,353 3.131,355 7.491,356 2.247,357 3.355,358 2.448,359 5.19,360 2.972,361 2.061,362 2.604,364 6.118,365 1.867,366 3.033,367 1.984,368 4.82,369 2.684,370 1.743,371 2.255,373 4.819,374 1.636,375 2.989,376 1.818,377 4.538,378 2.468,379 1.536,380 2.127,382 4.281,383 1.427,384 2.54,385 1.51,386 3.899,387 2.059,388 1.179,389 1.556,391 2.821,392 1.037,393 2.19,394 1.105,395 3.716,396 1.909,397 1,398 1.155,400 2.31,401 0.899,402 2.071,403 0.955,404 3.459,405 1.728,406 0.79,407 0.985,409 1.885,410 0.738,411 1.576,412 0.916,413 2.859,414 1.27,415 0.396,416 0.452,417 0.603,418 0.342,419 1.401,420 0.817,421 2.65,422 1.148,423 0.308,424 0.33,425 0.392,426 0.257,427 1.061,428 0.105,429 2.482,430 0.637,431 -0.279,432 -0.35,433 -0.624,434 -0.255,435 0.871,436 -0.162,437 2.42,438 0.487,439 -0.428,440 -0.521,441 -0.822,442 -0.384,443 0.65,444 -0.339,445 2.294,446 0.24,447 -0.694,448 -0.878,449 -1.641,450 -0.637,451 11.5,452 0.46,453 0.661,454 0.026,455 33,456 1.32,457 16,458 0.64,459 17,460 0.68,461 20.808,462 0.832,463 28.1,464 0.611,465 25.72,466 1.029,467 6.701,468 0.268,469 5.31,470 0.212,471 0.252,473 0.426,478 0.919,479 1.491,480 0.781,481 1.3,482 1.028,483 1.05,484 1.326,485 0.906,486 0.731,487 0.667,488 0.967,489 0.598,490 0.929,491 1.284,492 0.813,493 1.001,494 0.79,495 0.884,496 0.881,497 1.12,498 0.906,499 1.104,500 0.863,501 1.015,502 1.404,503 1.058,504 1.255,505 1.045,506 1.208,507 1.114,508 0.917,509 1.385,510 1.181,511 1.404,512 1.121,513 1.364,514 0.602,515 0.867,516 0.898,517 0.957,518 0.939,519 0.973,520 1.009,521 0.899,522 0.882,523 0.913,524 0.692,525 0.881,526 5,527 0.012,528 3.333,529 2.604,530 2.358,531 1.07,532 0.744,533 0.616,534 0.347,535 0.097,536 5662,537 16169,538 1.992,539 45.7,541 12,543 1,544 2,546 6,549 1.69,550 1.807,551 3.022,552 0.352,553 1,554 1,558 75.994,559 1.652,560 3.545,561 4.142,562 4.202,563 4.262,564 4.442,565 2.407,566 4.023,567 4.617,568 3.145,569 943.479,570 8.034,571 11015.2,573 1,575 1,576 254.084,577 1.554,578 4.541,579 0.185,580 0.004,581 0.085,582 0.058,583 0.051,584 0.027,585 0.021,586 0.021,587 0.014,588 0.007,589 0.476,590 0.33,591 1,592 1.103,593 116.965,594 -0.034,595 -0.221,596 0.069,597 -0.172,598 -0.131,599 -0.049,600 -0.126,601 0.167,602 0.244,603 0.337,604 0.025,605 0.356,606 0.087,607 -0.083,608 0.097,609 0.037,610 0.105,611 0.073,612 0.069,613 0.023,614 0.017,615 -0.085,616 0.104,617 -0.05,618 -0.25,620 -0.295,621 -0.044,622 -0.217,623 -0.161,624 -0.024,625 -0.315,626 -0.263,627 -0.363,628 -0.157,629 -0.37,630 0.235,631 0.047,632 0.101,633 -0.028,634 0.099,635 0.008,636 0.064,637 -0.055,638 0.157,639 0.013,640 0.276,641 0.093,642 1.291,643 2.113,644 0.6,645 18.573,646 1.012,647 1.14,648 2.4,649 5.759,650 0.641,651 3.332,652 3.689,653 4.043,654 4.369,655 4.615,656 4.754,657 4.875,658 5.004,659 5.024,660 4.97,661 5.122,662 0.619,663 343.43,664 3.332,665 4.89,666 5.778,667 6.693,668 7.605,669 8.529,670 9.449,671 10.375,672 11.299,673 12.227,674 10.9,678 1,682 1,684 3,689 2,690 3,691 3,695 6,696 1,697 16,708 1,714 3,716 46,718 16,719 1,720 27,722 48,723 17,724 11,725 4,726 2,728 3,729 4,732 2,738 1,740 11,741 6,756 1,757 1,760 21,761 7,762 2,763 8,769 5,775 0.667,776 3,785 1,788 1,793 1,794 2,797 1,819 2,823 5,827 25,828 1,835 3,837 1,850 6.5,855 3,858 13.833,859 9.967,860 5.722,861 2.523,863 3.175,864 1.44,865 0.947,866 4.902,867 10.394,868 3.584,869 4.259,870 4.969,871 5.646,872 6.225,873 6.654,874 7.106,875 7.561,876 7.857,877 8.151,878 1,879 45,880 9.161,881 3.767,882 7.747,883 17.262,884 13.505,885 2.247,886 56.167,889 1,890 223.651,891 106.159,892 84.908,894 33,897 106.159,898 256.651,899 84.908,900 50.3,902 51.85,903 63.72,904 67.64,905 2.328,906 211.88,908 223.651,909 191.067,910 33,913 153.024,914 103.626,917 32.518,918 108.316,919 50.234,921 223.651,922 117.907,923 106.159,926 223.651,927 28.289,928 79.647,930 116.131,931 223.651,932 117.907,933 106.159,935 0.579,936 0.371,937 0.217,938 0.121,939 19,940 10,941 0.104,942 5,943 1,944 1.133,945 3.409,946 217.986,947 0.133,948 15,949 106.096,954 17.61,955 6.96,956 2.95,957 1.386,958 116.131,959 5.109,960 13.17,964 3.423,965 1.825,966 32.897,967 447.718,968 35,980 46.56,981 52.441,983 0.299,984 0.642,985 0.75,986 0.761,987 0.772,988 0.804,989 4.836,990 1.179,991 5.796,992 4.281,993 4.369,994 4.945,995 1.693,996 6.698,997 4.248,998 6.082,999 1,1000 7.416,1001 2.821,1002 4.111,1003 4.956,1005 7.794,1006 3.966,1007 7.43,1008 0.79,1009 9.137,1010 2.31,1011 6.047,1012 7.288,1013 1.454,1014 10.938,1015 5.837,1016 8.822,1017 0.396,1018 10.916,1019 1.885,1020 6.608,1021 8.138,1023 12.845,1024 6.368,1025 10.247,1026 0.308,1027 12.73,1028 0.603,1029 8.044,1030 9.97,1031 1.232,1032 15.528,1033 7.758,1034 11.697,1035 -0.279,1036 14.569,1037 0.392,1038 8.96,1039 11.198,1041 17.765,1042 8.638,1043 13.166,1044 -0.428,1045 16.426,1046 -0.624,1047 10.221,1048 12.843,1049 1.028,1050 20.299,1051 9.86,1052 3.345,1053 -0.694,1054 18.296,1055 -0.822,1056 11.291,1057 14.243,1059 22.674,1060 10.892,1061 3.04,1062 12.099,1063 20.177,1064 -1.641,1065 12.493,1066 15.818,1067 0.845,1068 25.164,1069 12.06,1070 2.557,1071 10.286,1072 22.067,1073 4.734,1074 13.629,1075 17.296,1077 27.597,1078 13.158,1079 2.361,1080 8.678,1081 23.964,1082 4.099,1083 14.816,1084 18.847,1085 0.684,1086 30.076,1087 14.31,1088 2.061,1089 7.491,1090 25.867,1091 3.228,1092 15.981,1093 20.36,1095 32.536,1096 15.438,1097 1.743,1098 6.118,1099 27.775,1100 3.131,1101 17.166,1102 21.904,1103 0.546,1104 35.014,1105 16.589,1106 1.536,1107 4.819,1108 29.688,1109 2.604,1110 18.345,1111 23.434,1113 37.487,1114 17.732,1115 5754,1116 9854,1117 17.224,1118 29.483,1119 40.631,1120 41.754,1121 44.312,1122 40.485,1123 40.633,1124 53.314,1125 5.16,1126 123.564,1127 37.932,1128 5.454,1129 5.422,1130 6.584,1131 5.382,1132 5.345,1133 7.734,1134 1.72,1135 19.579,1136 5.225,1137 15.301,1138 1.505,1139 1.546,1140 1.641,1141 1.499,1142 1.505,1143 1.975,1144 0.191,1145 4.576,1146 1.405,1147 4.135,1148 4.18,1149 4.119,1150 3.994,1151 5.258,1152 4.019,1153 3.869,1154 3.882,1155 3.837,1156 3.736,1157 4.977,1158 3.759,1159 3.577,1160 3.655,1161 3.445,1162 3.407,1163 4.844,1164 3.4,1165 3.303,1166 3.36,1167 3.194,1168 3.057,1169 4.58,1170 3.086,1171 3.298,1172 3.355,1173 3.144,1174 3.006,1175 4.518,1176 3.026,1177 3.208,1178 3.287,1179 2.993,1180 2.901,1181 4.454,1182 2.903,1183 3.091,1184 3.193,1185 2.917,1186 2.82,1187 4.179,1188 2.828,1189 2.98,1190 3.088,1191 2.836,1192 2.678,1193 3.985,1194 2.713,1195 0.176,1196 0.127,1197 0.261,1198 0.16,1199 0.124,1200 4.765,1201 0.175,1202 3.422,1203 0.032,1204 7.042,1205 0.448,1206 4.309,1207 0.119,1208 3.345,1209 4.734,1210 0.86,1211 12.099,1212 3.225,1213 1.922,1214 1.91,1215 1.977,1216 2.041,1217 1.155,1218 2.019,1219 1.794,1220 1.75,1221 1.942,1222 1.993,1223 1.116,1224 1.972,1225 1.612,1226 1.55,1227 1.771,1228 1.821,1229 0.836,1230 1.816,1231 1.239,1232 1.182,1233 1.59,1234 1.558,1235 0.584,1236 1.565,1237 1.227,1238 1.163,1239 1.572,1240 1.525,1241 0.573,1242 1.538,1243 1.164,1244 1.077,1245 1.542,1246 1.487,1247 0.561,1248 1.505,1249 1.03,1250 0.938,1251 1.417,1252 1.347,1253 0.469,1254 1.333,1255 0.934,1256 0.804,1257 1.228,1258 1.239,1259 0.221,1260 1.308,1261 4.007,1263 5.352,1264 2.398,1265 6.911,1266 4.844,1267 8.571,1268 7.081,1269 10.284,1271 8.773,1275 6.113,1279 16.249,1281 0.118,1289 28.466,1290 75.994,1291 163.064,1292 190.535,1293 193.29,1294 196.045,1295 204.309,1296 40.001,1297 7.219,1298 97.31,1299 97.31,1300 17,1301 12.731,1302 4.087,1303 3.17,1304 41.337,1305 76,1306 74,1307 0.276,1308 177.128,1309 295.77,1310 423.953,1311 11022,1313 18.137,1314 0.725,1315 0.596,1316 18.137,1317 14.9,1318 12.011,1319 0.445,1320 0.289,1321 7.6,1322 11.232,1323 7.257,1324 6.142,1325 12.011,1326 7.804,1327 10.597,1328 0.272,1329 0.148,1330 10.597,1331 5.758,1332 9.341,1333 0.167,1334 0.07,1335 9.341,1336 3.945,1337 8.204,1338 0.105,1339 0.036,1340 8.204,1341 2.775,1342 6.702,1343 0.067,1344 0.019,1345 6.702,1346 1.901,1347 0.411,1348 77.553,1349 0.241,1350 23.366,1351 0.827,1352 132,1353 437.099,1354 150.072,1355 409.386,1356 567.84,1357 386,1358 161,1359 428.929,1360 181.153,1361 433.888,1362 637.49,1363 402,1364 6.119}
{0 CHEMBL1242661,1 1.549,2 9.958,3 2.941,4 8.647,5 95.058,6 7.79,7 0.778,8 3.841,9 3.964,10 3.46,11 3.384,12 4.995,13 3.382,14 4.336,15 4.506,16 3.827,17 3.763,18 5.447,19 3.752,20 4.494,21 4.668,22 3.886,23 3.882,24 5.586,25 3.855,26 4.53,27 4.717,28 3.83,29 3.89,30 5.633,31 3.829,32 4.555,33 4.777,34 3.669,35 3.827,36 5.55,37 3.74,38 4.503,39 4.744,40 3.513,41 3.719,42 5.493,43 3.62,44 4.394,45 4.663,46 3.342,47 3.58,48 5.282,49 3.456,50 4.163,51 4.417,52 3.135,53 3.332,54 5.12,55 3.215,56 0.054,57 0.651,58 7.739,59 3.368,60 8.25,61 4.295,62 0.204,63 1.011,64 14.677,65 5.577,66 18.167,67 7.253,68 0.218,69 1.153,70 17.555,71 6.567,72 21.279,73 8.531,74 0.24,75 1.221,76 17.833,77 7,78 25.001,79 9.388,80 0.179,81 1.171,82 19.831,83 7.253,84 23.723,85 10.12,86 0.238,87 1.092,88 19.664,89 6.602,90 31.556,91 9.325,92 0.154,93 0.942,94 18.472,95 6.639,96 21.667,97 9.712,98 0.163,99 0.743,100 14.333,101 5.078,102 19.667,103 7.356,104 12,105 39,106 0.269,107 0.642,108 0.789,109 0.863,110 0.872,111 0.872,112 3.229,113 0.864,114 -4.95,115 -4.86,116 -4.56,118 43.9,119 1,123 1,124 1,138 6,139 4,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 9,170 2,171 8,172 1,173 1,175 1,178 13,180 1,181 1,182 5,188 12,191 2,192 8,194 3,195 3,197 1,199 8,201 1,204 10,208 2,211 5,213 2,215 9,220 2,223 4,225 2,228 6,233 2,235 2,237 2,239 1,240 5,245 2,247 1,249 2,251 1,264 748,265 16.455,266 16.455,267 16.455,268 16.455,269 16.455,270 14.032,271 11.716,272 9.616,273 16.909,274 13.303,275 13.303,276 13.303,277 13.303,278 13.303,279 9.605,280 10.814,281 4.479,282 13.951,283 3.809,284 1.656,285 0.805,286 0.378,287 0.33,288 0.33,289 3.929,292 1,293 1,294 1,295 526,296 2.55,299 44.577,300 164.193,303 85.521,304 91.034,307 1.715,308 16.698,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 51.5,320 239,321 4.741,322 3.329,323 6.987,324 4.273,325 3.306,326 4.724,327 0.86,328 11.875,329 3.202,330 4.428,331 3.028,332 6.241,333 3.938,334 2.949,335 4.361,337 9.42,338 2.915,339 3.857,340 2.695,341 5.889,342 3.447,343 2.485,344 3.353,346 8.075,347 2.39,348 3.65,349 2.378,350 5.505,351 3.195,352 2.262,353 3.088,355 6.815,356 2.108,357 3.546,358 2.348,359 5.247,360 3.135,361 2.193,362 2.914,364 6.579,365 2.054,366 3.118,367 1.618,368 4.514,369 2.618,370 1.618,371 2.427,373 4.455,374 1.618,375 3.005,376 1.561,377 4.378,378 2.455,379 1.516,380 2.251,382 4.096,383 1.42,384 2.712,385 1.459,386 4.327,387 2.244,388 1.299,389 1.799,391 3.658,392 1.224,393 2.466,394 1.39,395 3.634,396 2.027,397 1.112,398 1.453,400 2.508,401 1.007,402 2.273,403 1.039,404 3.304,405 1.951,406 1.01,407 1.224,409 1.989,410 0.947,411 2.091,412 0.712,413 3.167,414 1.672,415 0.683,416 0.97,417 1.567,418 0.675,419 1.241,420 0.095,421 2.701,422 0.871,423 -0.09,424 -0.111,425 -0.182,426 -0.085,427 1.091,428 -0.084,429 2.443,430 0.668,431 -0.246,432 -0.309,433 -0.573,434 -0.224,435 0.882,436 -0.456,437 2.369,438 0.382,439 -0.591,440 -0.707,441 -1.202,442 -0.564,443 0.765,444 -0.523,445 2.277,446 0.365,447 -0.618,448 -0.821,449 -1.514,450 -0.574,451 11.333,452 0.472,453 0.589,454 0.025,455 35,456 1.458,457 19,458 0.792,459 16,460 0.667,461 16.208,462 0.675,463 24.667,464 0.602,465 24.541,466 1.023,467 6.883,468 0.287,469 4.786,470 0.199,471 0.124,473 0.388,478 0.879,479 1.195,480 0.739,481 1.006,482 1.073,483 0.876,484 1.079,485 0.883,486 0.739,487 0.779,488 0.726,489 0.725,490 1.309,491 1.06,492 0.908,493 0.898,494 1.039,495 0.865,496 0.791,497 1.058,498 1.049,499 1.157,500 0.888,501 1.146,502 0.933,503 1.137,504 1.067,505 1.13,506 0.813,507 1.117,508 1.109,509 1.017,510 1.152,511 1.021,512 1.371,513 1.073,514 0.611,515 1.002,516 0.884,517 1.009,518 0.755,519 0.987,520 0.692,521 1.087,522 0.982,523 1.125,524 0.771,525 1.1,526 4.5,527 0.078,528 2.889,529 1.979,530 1.85,531 0.639,532 0.504,533 0.417,534 0.145,535 0.158,536 6274,537 16273,538 2.135,539 41.5,541 11,543 1,544 2,546 3,549 1.669,550 2,551 3.24,552 0.296,553 1,554 1,556 1,558 63.504,559 1.549,560 3.701,561 4.552,562 4.979,563 5.028,564 5.028,565 2.757,566 4.502,567 4.552,568 3.391,569 935.796,570 7.858,571 10576.3,572 1,573 1,575 1,576 219.66,577 1.406,578 4.518,579 0.167,580 0.008,581 0.074,582 0.048,583 0.05,584 0.021,585 0.019,586 0.019,587 0.009,588 0.013,589 0.427,590 0.33,591 1,592 0.948,593 112.754,594 0.007,595 -0.053,596 0.061,597 -0.026,598 -0.182,599 0.017,600 0.023,601 0.192,602 0.159,603 0.19,604 0.141,605 0.192,606 -0.158,607 -0.022,608 0.003,609 0.08,610 -0.075,611 0.062,612 0.082,613 0.005,614 -0.159,615 -0.192,616 0.04,617 -0.216,618 -0.106,619 -0.153,620 -0.123,621 -0.147,622 0.014,623 -0.137,624 -0.197,625 -0.035,626 -0.173,627 -0.058,628 -0.273,629 -0.1,630 0.045,631 -0.101,632 0.12,633 0.003,634 0.066,635 0.063,636 0.124,637 -0.169,638 0.02,639 -0.13,640 0.14,641 -0.079,642 1.227,643 2.057,644 0.792,645 19.611,646 1.003,647 1.127,648 3.724,649 13.866,650 0.684,651 3.332,652 3.689,653 4.025,654 4.357,655 4.625,656 4.71,657 4.868,658 5.043,659 5.153,660 5.193,661 5.663,662 0.658,663 319.4,664 3.332,665 4.89,666 5.771,667 6.678,668 7.58,669 8.493,670 9.403,671 10.318,672 11.232,673 12.148,674 12.2,678 1,682 1,684 3,689 4,690 7,691 3,695 4,696 1,697 21,708 1,714 1,716 41,718 21,719 2,720 27,722 44,723 18,724 15,725 4,726 6,728 4,729 6,732 1,740 15,741 3,756 1,757 1,760 17,761 5,762 2,763 6,769 5,775 0.5,776 1,785 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 24,828 1,833 1,835 1,850 2.4,855 1,858 12,859 8.133,860 5.25,861 2.483,863 4.327,864 1.568,865 1.033,866 3.583,867 11.947,868 3.651,869 4.366,870 5.084,871 5.784,872 6.41,873 6.823,874 7.334,875 7.868,876 8.307,877 8.66,878 0.857,879 41,880 8.801,881 3.738,882 7.639,883 16.851,884 13.811,885 2.139,886 51.333,889 1,890 176.567,891 110.238,892 84.908,894 11,897 110.238,898 187.566,899 84.908,900 17.222,901 4.592,902 89.755,903 63.72,904 40.3,905 2.328,906 164.795,908 176.567,909 195.146,910 11,913 141.253,914 46.313,917 28.285,918 116.627,919 50.234,921 176.567,922 95.908,923 110.238,926 176.567,927 27.54,928 84.474,930 94.131,931 176.567,932 95.908,933 110.238,935 0.583,936 0.354,937 0.206,938 0.116,939 21,940 9,941 0.068,942 3,943 2,944 1.211,945 3.582,946 207.058,947 0.211,948 19,949 110.039,954 14.912,955 5.767,956 2.507,957 3.744,958 94.131,959 13.715,960 12.957,964 3.091,965 1.727,966 32.897,967 382.712,968 37.5,980 41.138,981 46.192,983 0.289,984 0.691,985 0.85,986 0.929,987 0.938,988 0.938,989 4.885,990 1.299,991 5.771,992 4.096,993 4.369,994 5.053,995 0.908,996 6.637,997 4.29,998 6.135,999 1.112,1000 7.361,1001 3.658,1002 4.007,1003 5.007,1005 7.63,1006 3.908,1007 7.477,1008 1.01,1009 9.051,1010 2.508,1011 6.009,1012 7.428,1013 0.739,1014 10.78,1015 5.873,1016 8.86,1017 0.683,1018 10.801,1019 1.989,1020 6.479,1021 8.233,1023 12.629,1024 6.325,1025 10.277,1026 -0.09,1027 12.59,1028 1.567,1029 7.958,1030 10.119,1031 0.593,1032 15.304,1033 7.777,1034 11.719,1035 -0.246,1036 14.407,1037 -0.182,1038 8.813,1039 11.321,1041 17.514,1042 8.61,1043 13.18,1044 -0.591,1045 16.243,1046 -0.573,1047 10.091,1048 12.993,1049 0.469,1050 20.038,1051 9.864,1052 3.306,1053 -0.618,1054 18.097,1055 -1.202,1056 11.124,1057 14.379,1059 22.399,1060 10.87,1061 2.949,1062 11.875,1063 19.963,1064 -1.514,1065 12.328,1066 15.965,1067 0.366,1068 24.878,1069 12.05,1070 2.485,1071 9.42,1072 21.84,1073 4.724,1074 13.441,1075 17.434,1077 27.302,1078 13.133,1079 2.262,1080 8.075,1081 23.726,1082 4.361,1083 14.622,1084 18.987,1085 0.283,1086 29.77,1087 14.287,1088 2.193,1089 6.815,1090 25.62,1091 3.353,1092 15.771,1093 20.493,1095 32.22,1096 15.405,1097 1.618,1098 6.579,1099 27.521,1100 3.088,1101 16.948,1102 22.034,1103 0.217,1104 34.687,1105 16.552,1106 1.516,1107 4.455,1108 29.427,1109 2.914,1110 18.114,1111 23.556,1113 37.149,1114 17.686,1115 5985,1116 9775,1117 18.205,1118 28.051,1119 41.22,1120 41.064,1121 42.829,1122 40.888,1123 40.865,1124 57.128,1125 1.72,1126 122.073,1127 39.12,1128 5.444,1129 5.329,1130 6.755,1131 5.346,1132 5.306,1133 7.724,1134 1.72,1135 19.21,1136 5.202,1137 10.78,1138 1.527,1139 1.521,1140 1.586,1141 1.514,1142 1.514,1143 2.116,1144 0.064,1145 4.521,1146 1.449,1147 4.158,1148 4.194,1149 4.134,1150 4.079,1151 5.259,1152 4.084,1153 4,1154 4.034,1155 3.968,1156 3.869,1157 4.948,1158 3.894,1159 3.56,1160 3.604,1161 3.467,1162 3.41,1163 4.85,1164 3.417,1165 3.401,1166 3.493,1167 3.299,1168 3.221,1169 4.58,1170 3.206,1171 3.349,1172 3.42,1173 3.186,1174 3.088,1175 4.463,1176 3.119,1177 3.069,1178 3.129,1179 2.961,1180 2.968,1181 4.11,1182 2.958,1183 2.973,1184 3.071,1185 2.859,1186 2.787,1187 3.854,1188 2.796,1189 2.889,1190 2.986,1191 2.678,1192 2.579,1193 3.732,1194 2.597,1195 0.176,1196 0.123,1197 0.259,1198 0.158,1199 0.122,1200 4.741,1201 0.175,1202 3.329,1203 0.032,1204 6.987,1205 0.44,1206 4.273,1207 0.119,1208 3.306,1209 4.724,1210 0.86,1211 11.875,1212 3.202,1213 2.077,1214 2.062,1215 2.149,1216 2.133,1217 1.299,1218 2.138,1219 1.814,1220 1.776,1221 1.87,1222 2,1223 0.977,1224 1.965,1225 1.564,1226 1.519,1227 1.804,1228 1.785,1229 0.933,1230 1.78,1231 1.445,1232 1.367,1233 1.683,1234 1.705,1235 0.752,1236 1.709,1237 1.323,1238 1.247,1239 1.556,1240 1.514,1241 0.589,1242 1.535,1243 1.077,1244 1.026,1245 1.287,1246 1.247,1247 0.357,1248 1.253,1249 0.92,1250 0.86,1251 1.178,1252 1.219,1253 0.139,1254 1.234,1255 0.798,1256 0.687,1257 1.055,1258 1.083,1259 0.082,1260 1.08,1261 4.007,1263 5.352,1264 2.398,1265 6.905,1266 4.844,1267 8.555,1268 7.05,1269 10.257,1271 3.833,1275 6.053,1277 0.656,1279 5.557,1289 26.983,1290 63.504,1291 151.743,1292 186.64,1293 204.15,1294 206.15,1295 206.15,1296 28.056,1297 7.621,1298 78.85,1299 78.85,1300 23,1301 12.66,1302 4.459,1303 3.524,1304 33.911,1305 81,1306 100,1307 0.211,1308 165.48,1309 266.95,1310 395.532,1311 20242,1313 16.681,1314 0.695,1315 0.563,1316 16.681,1317 13.523,1318 11.669,1319 0.432,1320 0.288,1321 7.654,1322 11.184,1323 7.433,1324 6.185,1325 11.669,1326 7.773,1327 10.587,1328 0.271,1329 0.143,1330 10.587,1331 5.586,1332 9.282,1333 0.169,1334 0.074,1335 9.282,1336 4.046,1337 8.236,1338 0.107,1339 0.038,1340 8.236,1341 2.939,1342 6.986,1343 0.069,1344 0.02,1345 6.986,1346 2.04,1347 0.325,1348 73.187,1349 0.234,1350 23.128,1351 0.595,1352 132,1353 369.628,1354 144.313,1355 362.359,1356 514.9,1357 342,1358 160,1359 402.043,1360 172.954,1361 407.406,1362 600.21,1363 384,1364 5.959}
{0 CHEMBL1242662,1 1.549,2 8.75,3 3.067,4 9.407,5 94.707,6 7.79,7 0.778,8 3.841,9 3.964,10 3.45,11 3.395,12 5.023,13 3.389,14 4.325,15 4.492,16 3.847,17 3.794,18 5.458,19 3.776,20 4.556,21 4.743,22 3.921,23 3.927,24 5.672,25 3.892,26 4.649,27 4.872,28 3.881,29 3.928,30 5.747,31 3.867,32 4.567,33 4.785,34 3.722,35 3.851,36 5.611,37 3.779,38 4.48,39 4.681,40 3.644,41 3.778,42 5.579,43 3.702,44 4.548,45 4.813,46 3.426,47 3.702,48 5.519,49 3.578,50 4.388,51 4.681,52 3.226,53 3.483,54 5.301,55 3.34,56 0.072,57 0.653,58 7.81,59 3.369,60 11.554,61 4.28,62 0.142,63 1.037,64 13.919,65 5.658,66 18.099,67 7.562,68 0.199,69 1.252,70 18.601,71 6.751,72 25.165,73 9.113,74 0.321,75 1.336,76 21.88,77 7.643,78 37.279,79 10.653,80 0.224,81 1.212,82 19.884,83 6.805,84 29.878,85 9.448,86 0.168,87 1.124,88 17.544,89 6.352,90 29.713,91 8.711,92 0.251,93 1.126,94 21.304,95 6.877,96 38.43,97 10.063,98 0.22,99 0.884,100 19.559,101 6.755,102 31.464,103 10.062,104 18,105 40,106 0.269,107 0.652,108 0.764,109 0.838,110 0.846,111 0.846,112 3.23,113 0.862,114 -4.95,115 -4.86,116 -4.56,118 43.9,119 2,126 1,138 6,139 4,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 9,170 2,171 7,172 1,173 1,175 3,178 14,180 1,181 1,182 5,186 2,188 12,191 2,192 8,194 3,195 3,197 3,199 8,201 1,204 8,208 4,211 5,213 2,215 10,220 5,223 6,225 4,228 6,233 2,235 4,237 2,240 4,243 1,245 3,247 4,249 2,255 1,260 4,264 758,265 16.085,266 16.085,267 16.085,268 16.085,269 16.085,270 13.687,271 11.643,272 9.195,273 16.387,274 13.321,275 13.321,276 13.321,277 13.321,278 13.321,279 9.634,280 8.663,281 4.348,282 13.819,283 3.809,284 1.599,285 0.952,286 0.525,287 0.476,288 0.476,289 3.925,292 1,293 1,294 1,295 460,296 2.739,299 43.524,300 159.84,303 83.676,304 88.462,307 1.375,308 20.127,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 51.5,320 210,321 4.762,322 3.376,323 7.039,324 4.304,325 3.339,326 4.737,328 12.088,329 3.224,330 4.426,331 2.983,332 6.262,333 3.939,334 2.948,335 4.36,337 9.449,338 2.919,339 3.877,340 2.686,341 6.082,342 3.531,343 2.57,344 3.353,346 8.608,347 2.467,348 3.767,349 2.513,350 5.719,351 3.367,352 2.407,353 3.19,355 7.488,356 2.307,357 3.475,358 2.255,359 4.962,360 3.035,361 2.08,362 2.849,364 5.803,365 1.978,366 3.118,367 1.82,368 4.819,369 2.683,370 1.742,371 2.427,373 4.818,374 1.636,375 3.03,376 1.618,377 4.495,378 2.618,379 1.618,380 2.249,382 4.416,383 1.618,384 2.981,385 1.508,386 4.377,387 2.445,388 1.501,389 2.127,391 4.065,392 1.413,393 2.532,394 1.067,395 3.861,396 2.012,397 1.064,398 1.546,400 2.761,401 1.006,402 2.214,403 0.856,404 3.492,405 1.799,406 0.827,407 1.097,409 2.067,410 0.802,411 2.11,412 0.729,413 3.274,414 1.679,415 0.694,416 0.985,417 1.685,418 0.683,419 1.272,420 0.12,421 2.724,422 0.848,423 -0.108,424 -0.141,425 -0.26,426 -0.102,427 1.056,428 -0.162,429 2.432,430 0.61,431 -0.302,432 -0.389,433 -0.705,434 -0.275,435 0.882,436 -0.599,437 2.384,438 0.382,439 -0.618,440 -0.927,441 -1.82,442 -0.618,443 0.69,444 -0.618,445 2.27,446 0.23,447 -0.715,448 -0.945,449 -2,450 -0.671,451 11.333,452 0.472,453 0.716,454 0.03,455 34.75,456 1.448,457 19,458 0.792,459 15.75,460 0.656,461 17.393,462 0.725,463 24.667,464 0.602,465 24.614,466 1.026,467 6.664,468 0.278,469 4.878,470 0.203,471 0.153,473 0.432,478 0.938,479 1.122,480 0.769,481 0.916,482 1.083,483 0.836,484 0.672,485 1.027,486 0.677,487 0.89,488 0.526,489 0.799,490 1.082,491 1.139,492 0.928,493 0.968,494 0.897,495 0.929,496 0.848,497 0.927,498 0.937,499 0.941,500 0.792,501 0.946,502 1.129,503 1.069,504 1.131,505 1.033,506 0.86,507 1.061,508 1.094,509 1.297,510 1.203,511 1.235,512 1.067,513 1.232,514 0.958,515 0.974,516 1.163,517 1.02,518 0.956,519 1.087,520 0.543,521 0.868,522 0.788,523 0.905,524 0.51,525 0.886,526 5,527 0.083,528 3.111,529 2.104,530 2.14,531 0.827,532 0.564,533 0.436,534 0.215,535 0.178,536 5894,537 15677,538 2.11,539 41.5,541 7,543 1,544 3,546 6,549 1.673,550 1.946,551 3.102,552 0.998,553 1,554 1,556 1,558 63.504,559 1.549,560 3.758,561 4.406,562 4.833,563 4.882,564 4.882,565 2.555,566 4.418,567 4.557,568 3.236,569 893.149,570 7.888,571 9993.54,572 1,573 1,575 1,576 219.66,577 1.483,578 4.504,579 0.185,580 0.012,581 0.078,582 0.05,583 0.055,584 0.025,585 0.019,586 0.019,587 0.011,588 0.014,589 0.468,590 0.33,591 1,592 0.813,593 111.361,594 -0.054,595 0.022,596 0.031,597 0.065,598 -0.208,599 0.058,600 0.131,601 0.069,602 0.181,603 0.09,604 0.135,605 0.131,606 -0.116,607 -0.074,608 -0.024,609 -0.01,610 -0.054,611 -0.005,612 0.074,613 0.104,614 0.017,615 0.009,616 0.031,617 0.002,618 -0.211,619 -0.037,620 -0.191,621 -0.082,622 -0.07,623 -0.118,624 -0.198,625 -0.263,626 -0.288,627 -0.276,628 -0.158,629 -0.294,630 -0.16,631 -0.006,632 -0.162,633 -0.064,634 -0.182,635 -0.097,636 0.195,637 -0.021,638 0.272,639 0.115,640 0.228,641 0.191,642 1.414,643 3.61,644 0.792,645 17.667,646 1.003,647 1.127,648 3.724,649 13.866,650 0.684,651 3.332,652 3.714,653 4.043,654 4.382,655 4.673,656 4.796,657 4.92,658 5.088,659 5.182,660 5.231,661 5.231,662 0.658,663 319.4,664 3.332,665 4.905,666 5.79,667 6.706,668 7.613,669 8.534,670 9.45,671 10.374,672 11.294,673 12.218,674 12.2,678 1,682 1,684 3,689 4,690 7,691 3,695 4,696 1,697 21,708 1,713 1,716 41,718 21,719 2,720 27,722 44,723 18,724 15,725 4,726 6,728 4,729 6,732 2,738 1,740 15,741 3,756 1,757 1,760 17,761 5,762 3,763 6,769 5,775 0.5,776 1,785 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 24,828 1,832 1,837 1,850 2.4,852 1,858 12.333,859 8,860 5.111,861 2.441,863 4.314,864 1.569,865 1.006,866 3.394,867 11.9,868 3.651,869 4.379,870 5.096,871 5.803,872 6.437,873 6.868,874 7.36,875 7.894,876 8.326,877 8.691,878 0.833,879 42,880 8.815,881 3.82,882 7.736,883 16.774,884 14.037,885 2.236,886 53.667,889 1,890 164.795,891 100.831,892 84.908,894 42.683,897 100.831,898 207.479,899 84.908,900 17.65,902 89.755,903 106.404,904 24.056,905 2.328,906 153.024,908 164.795,909 185.739,910 42.683,913 94.169,914 113.31,917 32.518,918 102.987,919 50.234,921 164.795,922 127.591,923 100.831,926 164.795,927 17.704,928 84.903,930 125.815,931 164.795,932 127.591,933 100.831,935 0.597,936 0.355,937 0.202,938 0.12,939 22,940 10,941 0.045,942 2,943 2,944 1.211,945 3.496,946 211.577,947 0.211,948 19,949 108.039,954 14.912,955 5.462,956 2.414,957 3.492,958 125.815,959 12.732,960 13.209,964 2.39,965 1.865,966 75.581,967 393.218,968 37.5,980 41.138,981 46.192,983 0.289,984 0.702,985 0.822,986 0.902,987 0.911,988 0.911,989 4.9,990 1.501,991 5.808,992 4.416,993 4.394,994 5.066,996 6.688,997 4.327,998 6.161,999 1.064,1000 7.41,1001 4.065,1002 4.111,1003 5.047,1005 7.716,1006 4.011,1007 7.507,1008 0.827,1009 9.112,1010 2.761,1011 6.052,1012 7.441,1014 10.864,1015 5.927,1016 8.893,1017 0.694,1018 10.872,1019 2.067,1020 6.567,1021 8.254,1023 12.736,1024 6.411,1025 10.311,1026 -0.108,1027 12.67,1028 1.685,1029 8.019,1030 10.133,1032 15.421,1033 7.841,1034 11.754,1035 -0.302,1036 14.494,1037 -0.26,1038 8.899,1039 11.339,1041 17.648,1042 8.688,1043 13.217,1044 -0.618,1045 16.338,1046 -0.705,1047 10.169,1048 13.009,1050 20.186,1051 9.933,1052 3.339,1053 -0.715,1054 18.199,1055 -1.82,1056 11.216,1057 14.399,1059 22.563,1060 10.947,1061 2.948,1062 12.088,1063 20.072,1064 -2,1065 12.422,1066 15.985,1068 25.057,1069 12.124,1070 2.57,1071 9.449,1072 21.955,1073 4.737,1074 13.545,1075 17.457,1077 27.497,1078 13.212,1079 2.407,1080 8.608,1081 23.847,1082 4.36,1083 14.732,1084 19.011,1086 29.982,1087 14.368,1088 2.08,1089 7.488,1090 25.747,1091 3.353,1092 15.891,1093 20.52,1095 32.449,1096 15.491,1097 1.742,1098 5.803,1099 27.653,1100 3.19,1101 17.075,1102 22.063,1104 34.934,1105 16.641,1106 1.618,1107 4.818,1108 29.565,1109 2.849,1110 18.251,1111 23.588,1113 37.413,1114 17.781,1115 5640,1116 9317,1117 17.918,1118 28.051,1119 42.027,1120 41.585,1121 43.581,1122 41.641,1123 41.583,1124 57.839,1126 126.496,1127 40.108,1128 5.431,1129 5.376,1130 6.567,1131 5.376,1132 5.339,1133 7.737,1135 19.555,1136 5.224,1137 12.207,1138 1.557,1139 1.54,1140 1.614,1141 1.542,1142 1.54,1143 2.142,1145 4.685,1146 1.485,1147 4.163,1148 4.201,1149 4.14,1150 4.08,1151 6.471,1152 4.086,1153 4.004,1154 4.036,1155 3.97,1156 3.879,1157 5.256,1158 3.903,1159 3.579,1160 3.656,1161 3.445,1162 3.425,1163 4.899,1164 3.416,1165 3.483,1166 3.517,1167 3.417,1168 3.362,1169 4.786,1170 3.368,1171 3.161,1172 3.247,1173 3.059,1174 2.987,1175 4.501,1176 2.989,1177 3.045,1178 3.115,1179 2.931,1180 2.872,1181 4.182,1182 2.893,1183 2.985,1184 3.07,1185 2.869,1186 2.681,1187 4.032,1188 2.719,1189 2.874,1190 3.009,1191 2.598,1192 2.618,1193 3.795,1194 2.57,1195 0.176,1196 0.125,1197 0.261,1198 0.159,1199 0.124,1200 4.762,1201 0.175,1202 3.376,1204 7.039,1205 0.448,1206 4.304,1207 0.119,1208 3.339,1209 4.737,1211 12.088,1212 3.224,1213 2.076,1214 2.061,1215 2.148,1216 2.131,1217 1.294,1218 2.137,1219 1.829,1220 1.787,1221 1.949,1222 2.021,1223 1.146,1224 1.993,1225 1.654,1226 1.594,1227 1.813,1228 1.848,1229 0.918,1230 1.846,1231 1.458,1232 1.417,1233 1.607,1234 1.609,1235 0.645,1236 1.612,1237 1.117,1238 1.062,1239 1.417,1240 1.368,1241 0.469,1242 1.346,1243 1.006,1244 0.948,1245 1.301,1246 1.239,1247 0.365,1248 1.308,1249 0.934,1250 0.804,1251 1.211,1252 1.224,1253 0.158,1254 1.241,1255 0.831,1256 0.752,1257 1.059,1258 1.163,1259 0.032,1260 1.143,1261 4.007,1263 5.371,1264 2.398,1265 6.934,1266 4.844,1267 8.592,1268 7.081,1269 10.3,1271 4.107,1275 6.103,1276 9.61,1281 0.16,1289 26.983,1290 63.504,1291 154.092,1292 180.64,1293 198.15,1294 200.15,1295 200.15,1296 33.003,1297 7.586,1298 89.85,1299 89.85,1300 23,1301 12.725,1302 4.459,1303 3.524,1304 33.701,1305 74,1306 84,1307 0.227,1308 165.48,1309 266.95,1310 395.532,1311 18888,1313 16.845,1314 0.702,1315 0.56,1316 16.845,1317 13.432,1318 11.542,1319 0.427,1320 0.287,1321 7.668,1322 11.146,1323 7.43,1324 6.198,1325 11.542,1326 7.762,1327 10.968,1328 0.274,1329 0.152,1330 10.968,1331 6.091,1332 9.315,1333 0.166,1334 0.073,1335 9.315,1336 4.105,1337 8.19,1338 0.104,1339 0.037,1340 8.19,1341 2.938,1342 7.068,1343 0.067,1344 0.02,1345 7.068,1346 2.098,1347 0.343,1348 71.97,1349 0.236,1350 22.807,1351 0.664,1352 134,1353 360.042,1354 145.54,1355 359.36,1356 508,1357 336,1358 163,1359 398.323,1360 175.291,1361 405.408,1362 597.44,1363 382,1364 7.022}
{0 CHEMBL1242663,1 1.603,2 8,3 3.486,4 12.152,5 96.35,6 8.688,7 0.778,8 3.799,9 3.923,10 3.505,11 3.378,12 4.971,13 3.37,14 4.295,15 4.463,16 3.929,17 3.768,18 5.439,19 3.752,20 4.498,21 4.688,22 4.036,23 3.9,24 5.619,25 3.87,26 4.581,27 4.793,28 4.062,29 3.91,30 5.745,31 3.86,32 4.492,33 4.686,34 3.987,35 3.864,36 5.594,37 3.798,38 4.426,39 4.601,40 3.977,41 3.795,42 5.675,43 3.728,44 4.502,45 4.742,46 3.667,47 3.714,48 5.581,49 3.598,50 4.336,51 4.612,52 3.174,53 3.458,54 5.284,55 3.305,56 0.068,57 0.643,58 6.052,59 2.964,60 8.377,61 3.692,62 0.204,63 1.01,64 12.763,65 5.083,66 19.777,67 6.628,68 0.215,69 1.194,70 16.706,71 6.106,72 19.879,73 7.895,74 0.418,75 1.238,76 21.502,77 6.824,78 39.067,79 8.896,80 0.299,81 1.104,82 19.212,83 6.225,84 25.018,85 7.847,86 0.332,87 1.026,88 18.881,89 6.011,90 38.605,91 7.623,92 0.343,93 1.026,94 24.506,95 6.761,96 42.149,97 8.739,98 0.36,99 0.803,100 26.402,101 6.474,102 38.729,103 8.651,104 18,105 40,106 0.281,107 0.667,108 0.776,109 0.828,110 0.837,111 0.837,112 3.23,113 0.887,114 -4.95,115 -4.86,116 -4.56,118 43.6,119 2,126 1,138 5,139 3,142 2,143 2,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 11,172 1,173 1,175 1,178 9,180 1,181 1,182 7,188 7,191 3,192 9,194 3,195 3,197 1,199 9,201 1,203 1,204 5,208 1,211 6,213 1,214 2,215 9,217 1,218 1,220 4,223 5,225 4,228 7,233 1,235 5,237 1,240 5,245 2,247 2,249 2,252 2,257 1,260 4,262 1,264 750,265 16.137,266 16.137,267 16.137,268 16.137,269 16.137,270 13.711,271 11.088,272 9.275,273 16.576,274 13.322,275 13.322,276 13.322,277 13.322,278 13.322,279 9.619,280 8.141,281 4.372,282 14.083,283 3.682,284 1.475,285 0.849,286 0.552,287 0.5,288 0.5,289 3.925,291 1,292 1,293 1,294 1,295 420,296 2.739,299 41.908,300 158.105,303 80.891,304 88.462,307 1.167,308 20.263,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 51.333,320 192,321 4.778,322 3.426,323 7.068,324 4.321,325 3.359,326 4.749,328 12.194,329 3.228,330 4.451,331 3.14,332 6.423,333 3.947,334 2.989,335 4.377,337 9.893,338 2.869,339 3.933,340 2.683,341 6.08,342 3.536,343 2.577,344 3.462,346 8.666,347 2.46,348 3.783,349 2.617,350 5.859,351 3.392,352 2.445,353 3.195,355 7.795,356 2.305,357 3.316,358 2.162,359 5.014,360 2.786,361 1.898,362 2.664,364 5.494,365 1.658,366 3.094,367 1.815,368 4.813,369 2.68,370 1.74,371 2.389,373 4.818,374 1.626,375 3.018,376 1.596,377 4.548,378 2.56,379 1.595,380 2.141,382 4.524,383 1.532,384 2.899,385 1.434,386 3.92,387 2.389,388 1.406,389 2.093,391 3.006,392 1.367,393 2.629,394 1.258,395 3.672,396 2.095,397 1.177,398 1.685,400 2.902,401 1.059,402 2.287,403 0.952,404 3.618,405 1.871,406 0.908,407 1.209,409 2.359,410 0.86,411 2.092,412 0.756,413 3.431,414 1.653,415 0.695,416 0.958,417 1.799,418 0.658,419 1.25,420 0.287,421 2.735,422 0.762,423 -0.113,424 -0.147,425 -0.273,426 -0.083,427 1.06,428 -0.153,429 2.619,430 0.603,431 -0.3,432 -0.387,433 -0.702,434 -0.267,435 0.994,436 -0.441,437 2.426,438 0.485,439 -0.47,440 -0.674,441 -1.304,442 -0.441,443 0.644,444 -0.773,445 2.256,446 0.13,447 -0.811,448 -1,449 -2,450 -0.758,451 11.614,452 0.484,453 0.699,454 0.029,455 34.75,456 1.448,457 18.5,458 0.771,459 16.25,460 0.677,461 18.485,462 0.77,463 24.386,464 0.625,465 24.114,466 1.005,467 6.598,468 0.275,469 4.961,470 0.207,471 0.182,473 0.422,478 0.775,479 1.224,480 0.578,481 0.879,482 0.958,483 0.809,484 0.65,485 1.074,486 0.553,487 0.824,488 0.546,489 0.747,490 1.041,491 1.187,492 0.713,493 0.836,494 0.788,495 0.809,496 0.989,497 0.855,498 0.906,499 0.821,500 0.962,501 0.842,502 1.267,503 1.058,504 1.121,505 0.979,506 1.145,507 1.005,508 0.97,509 1.207,510 1.246,511 1.294,512 1.055,513 1.21,514 1.522,515 1.012,516 1.449,517 1.099,518 1.608,519 1.133,520 1.488,521 0.724,522 1.66,523 1.065,524 1.377,525 1.041,526 4.5,527 0.025,528 3.111,529 2.229,530 2.14,531 1.129,532 0.629,533 0.408,534 0.179,535 0.082,536 5654,537 15897,538 2.11,539 38.5,541 6,543 1,544 2,546 6,549 1.677,550 1.946,551 3.002,552 0.337,554 1,556 1,558 62.531,559 1.603,560 3.81,561 4.436,562 4.734,563 4.785,564 4.785,565 2.44,566 4.335,567 4.559,568 3.12,569 861.056,570 7.908,571 9607.81,572 1,573 1,574 1,575 1,576 206.131,577 1.483,578 4.504,579 0.167,580 0.008,581 0.078,582 0.052,583 0.052,584 0.031,585 0.018,586 0.016,587 0.011,588 0.008,589 0.442,590 0.33,591 1,592 0.813,593 110.382,594 -0.015,595 -0.077,596 0.022,597 -0.003,598 -0.189,599 0.021,600 0.207,601 0.014,602 0.164,603 0.079,604 0.197,605 0.136,606 -0.094,607 -0.123,608 0.085,609 0.072,610 0.026,611 0.086,612 0.117,613 0.183,614 0.065,615 0.109,616 0.094,617 0.074,618 -0.159,619 -0.027,620 -0.069,621 -0.028,622 -0.15,623 -0.092,624 0.181,625 -0.183,626 -0.094,627 -0.326,628 0.175,629 -0.3,630 -0.341,631 -0.069,632 -0.243,633 -0.101,634 -0.333,635 -0.148,636 -0.314,637 0.122,638 -0.292,639 0.01,640 -0.205,641 0.042,642 1.286,643 2.326,644 0.792,645 16.563,646 1.009,647 1.128,648 3.724,649 13.866,650 0.71,651 3.332,652 3.714,653 4.06,654 4.407,655 4.7,656 4.844,657 4.963,658 5.1,659 5.17,660 5.176,661 4.955,662 0.682,663 338.83,664 3.332,665 4.905,666 5.796,667 6.715,668 7.63,669 8.557,670 9.479,671 10.409,672 11.335,673 12.266,674 15.4,678 1,682 1,684 4,689 4,690 6,691 4,695 4,696 1,697 21,708 1,715 1,716 39,718 21,719 1,720 27,722 42,723 17,724 14,725 2,726 4,728 4,729 6,730 1,732 2,738 1,740 14,741 3,756 1,757 1,760 15,761 5,762 2,763 7,764 1,769 6,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,824 1,827 24,828 1,837 1,849 1,858 12.333,859 7.81,860 5.139,861 2.367,863 4.354,864 1.576,865 1.029,866 3.539,867 11.918,868 3.651,869 4.379,870 5.105,871 5.816,872 6.454,873 6.895,874 7.382,875 7.898,876 8.316,877 8.651,878 1,879 43,880 8.806,881 3.808,882 7.699,883 16.729,884 13.906,885 2.199,886 52.778,890 153.024,891 93.998,892 101.693,893 39.149,897 93.998,898 192.173,899 101.693,900 17.65,902 80.278,903 80.506,904 23.628,905 44.548,906 141.253,908 153.024,909 195.691,911 39.149,913 82.398,914 70.627,917 34.662,918 94.01,919 67.02,920 39.149,921 153.024,922 101.693,923 133.146,926 153.024,927 20.347,928 75.427,930 139.065,931 153.024,932 101.693,933 133.146,935 0.595,936 0.361,937 0.208,938 0.122,939 22,940 10,941 0.048,942 2,943 2,944 1.211,945 3.454,946 214.448,947 0.211,948 19,949 108.039,954 15.156,955 5.603,956 2.4,957 3.213,958 99.917,959 11.229,960 17.63,964 2.139,965 1.828,966 32.897,967 387.864,968 37.5,980 39.353,981 44.01,983 0.303,984 0.721,985 0.839,986 0.896,987 0.905,988 0.905,989 4.9,990 1.406,991 5.814,992 4.524,993 4.394,994 5.066,996 6.708,997 4.291,998 6.161,999 1.177,1000 7.425,1001 3.006,1002 4.111,1003 5.047,1005 7.763,1006 3.95,1007 7.509,1008 0.908,1009 9.138,1010 2.902,1011 6.061,1012 7.446,1014 10.928,1015 5.877,1016 8.899,1017 0.695,1018 10.91,1019 2.359,1020 6.594,1021 8.272,1023 12.82,1024 6.361,1025 10.323,1026 -0.113,1027 12.72,1028 1.799,1029 8.05,1030 10.15,1032 15.516,1033 7.792,1034 11.772,1035 -0.3,1036 14.556,1037 -0.273,1038 8.949,1039 11.366,1041 17.752,1042 8.646,1043 13.241,1044 -0.47,1045 16.41,1046 -0.702,1047 10.223,1048 13.036,1050 20.298,1051 9.89,1052 3.359,1053 -0.811,1054 18.28,1055 -1.304,1056 11.284,1057 14.432,1059 22.68,1060 10.909,1061 2.989,1062 12.194,1063 20.161,1064 -2,1065 12.495,1066 16.018,1068 25.18,1069 12.086,1070 2.577,1071 9.893,1072 22.051,1073 4.749,1074 13.628,1075 17.494,1077 27.625,1078 13.179,1079 2.445,1080 8.666,1081 23.949,1082 4.377,1083 14.82,1084 19.049,1086 30.115,1087 14.335,1088 1.898,1089 7.795,1090 25.853,1091 3.462,1092 15.986,1093 20.561,1095 32.587,1096 15.461,1097 1.74,1098 5.494,1099 27.764,1100 3.195,1101 17.176,1102 22.106,1104 35.077,1105 16.613,1106 1.595,1107 4.818,1108 29.679,1109 2.664,1110 18.358,1111 23.634,1113 37.563,1114 17.756,1115 5417,1116 9238,1117 17.918,1118 27.699,1119 42.001,1120 42.155,1121 43.705,1122 41.762,1123 41.578,1124 57.844,1126 126.899,1127 39.246,1128 5.455,1129 5.426,1130 6.752,1131 5.394,1132 5.359,1133 7.749,1135 19.776,1136 5.228,1137 11.84,1138 1.556,1139 1.561,1140 1.619,1141 1.547,1142 1.54,1143 2.142,1145 4.7,1146 1.454,1147 4.156,1148 4.197,1149 4.173,1150 4.05,1151 5.263,1152 4.063,1153 3.992,1154 4.029,1155 3.988,1156 3.869,1157 5.07,1158 3.89,1159 3.579,1160 3.656,1161 3.646,1162 3.426,1163 4.845,1164 3.414,1165 3.464,1166 3.502,1167 3.445,1168 3.356,1169 4.633,1170 3.36,1171 3.139,1172 3.231,1173 3.17,1174 2.896,1175 4.498,1176 2.924,1177 3.002,1178 3.097,1179 2.972,1180 2.864,1181 4.108,1182 2.863,1183 2.972,1184 3.042,1185 2.863,1186 2.68,1187 3.99,1188 2.717,1189 2.874,1190 3.009,1191 2.808,1192 2.618,1193 3.892,1194 2.57,1195 0.177,1196 0.127,1197 0.262,1198 0.16,1199 0.124,1200 4.778,1201 0.176,1202 3.426,1204 7.068,1205 0.452,1206 4.321,1207 0.12,1208 3.359,1209 4.749,1211 12.194,1212 3.228,1213 2.04,1214 2.019,1215 2.104,1216 2.116,1217 1.226,1218 2.115,1219 1.829,1220 1.787,1221 1.949,1222 2.02,1223 1.145,1224 1.993,1225 1.655,1226 1.594,1227 1.815,1228 1.848,1229 0.922,1230 1.846,1231 1.437,1232 1.394,1233 1.556,1234 1.576,1235 0.615,1236 1.584,1237 1.04,1238 0.967,1239 1.417,1240 1.349,1241 0.469,1242 1.325,1243 0.976,1244 0.923,1245 1.218,1246 1.239,1247 0.233,1248 1.308,1249 0.934,1250 0.804,1251 1.187,1252 1.174,1253 0.171,1254 1.171,1255 0.826,1256 0.746,1257 1.057,1258 1.133,1259 0.033,1260 1.135,1261 4.007,1263 5.371,1264 2.398,1265 6.94,1266 4.844,1267 8.607,1268 7.081,1269 10.325,1271 4.073,1272 6.437,1275 6.103,1281 0.128,1289 26.59,1290 62.531,1291 148.605,1292 173.011,1293 184.621,1294 186.621,1295 186.621,1296 32.35,1297 7.564,1298 82.51,1299 82.51,1300 23,1301 12.768,1302 4.459,1303 3.524,1304 33.559,1305 70,1306 70,1307 0.239,1308 167.019,1309 267.07,1310 399.286,1311 18306,1312 2.6,1313 16.845,1314 0.702,1315 0.583,1316 17.345,1317 13.989,1318 11.559,1319 0.428,1320 0.296,1321 7.54,1322 10.894,1323 7.277,1324 6.061,1325 11.847,1326 7.981,1327 10.874,1328 0.272,1329 0.156,1330 11.245,1331 6.222,1332 9.39,1333 0.165,1334 0.074,1335 9.722,1336 4.228,1337 8.33,1338 0.103,1339 0.038,1340 8.673,1341 3.038,1342 7.12,1343 0.065,1344 0.02,1345 7.466,1346 2.167,1347 0.356,1348 75.078,1349 0.236,1350 22.603,1351 0.719,1352 134,1353 373.741,1354 161.659,1355 402.296,1356 559.74,1357 376,1358 164,1359 415.973,1360 188.505,1361 432.142,1362 641.66,1363 407,1364 5.602}
{0 CHEMBL1242664,1 1.449,2 7.958,3 3.395,4 11.529,5 94.896,6 7.581,7 0.714,8 3.878,9 4.014,10 3.484,11 3.436,12 4.949,13 3.424,14 4.422,15 4.595,16 3.88,17 3.879,18 5.426,19 3.843,20 4.672,21 4.908,22 3.871,23 3.944,24 5.594,25 3.874,26 4.647,27 4.893,28 3.873,29 3.891,30 5.654,31 3.835,32 4.551,33 4.773,34 3.764,35 3.855,36 5.526,37 3.794,38 4.516,39 4.719,40 3.748,41 3.85,42 5.531,43 3.783,44 4.605,45 4.849,46 3.611,47 3.82,48 5.554,49 3.708,50 4.553,51 4.85,52 3.233,53 3.615,54 5.38,55 3.45,56 0.059,57 0.712,58 8.477,59 3.399,60 8.889,61 4.632,62 0.139,63 1.169,64 15.809,65 6.19,66 15.994,67 8.619,68 0.179,69 1.367,70 22.874,71 7.793,72 22.112,73 11.468,74 0.33,75 1.345,76 22.854,77 7.118,78 33.806,79 10.538,80 0.233,81 1.243,82 19.781,83 6.203,84 25.931,85 9.045,86 0.173,87 1.219,88 18.36,89 6.249,90 23.744,91 8.964,92 0.253,93 1.239,94 21.645,95 7.343,96 31.022,97 10.721,98 0.232,99 1.06,100 22.635,101 7.145,102 32.473,103 10.853,104 2,105 41,106 0.249,107 0.646,108 0.773,109 0.838,110 0.838,111 0.838,112 3.231,113 0.897,114 -4.76,115 -4.67,116 -4.39,118 42.9,120 4,126 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,156 1,158 1,159 1,160 1,161 1,167 8,170 2,171 7,172 1,173 1,175 4,178 9,180 1,181 1,182 7,186 2,188 6,191 2,192 9,194 3,195 3,197 2,199 4,201 1,204 8,206 1,208 3,211 5,213 2,215 6,218 1,220 3,223 7,225 3,228 5,231 2,232 1,233 3,234 1,235 6,237 3,240 2,245 3,247 4,249 1,257 2,260 4,264 760,265 16.792,266 16.792,267 16.792,268 16.792,269 16.792,270 14.548,271 9.487,272 9.779,273 17.099,274 13.858,275 13.858,276 13.858,277 13.858,278 13.858,279 10.422,280 7.5,281 4.637,282 14.363,283 3.944,284 1.638,285 0.905,286 0.524,287 0.524,288 0.524,289 3.945,292 1,293 1,294 1,295 437,296 2.121,299 139.283,300 102.98,303 160.199,307 1.135,308 15.921,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51,320 191,321 4.766,322 3.389,323 7.051,324 4.312,325 3.349,326 4.738,328 12.147,329 3.229,330 4.415,331 2.95,332 6.293,333 3.916,334 2.936,335 4.353,337 9.503,338 2.874,339 3.904,340 2.766,341 6.145,342 3.646,343 2.677,344 3.312,346 8.961,347 2.592,348 3.761,349 2.405,350 5.751,351 3.348,352 2.38,353 3.198,355 7.634,356 2.303,357 3.239,358 2.038,359 5.079,360 2.949,361 1.996,362 2.366,364 5.69,365 1.899,366 3.051,367 1.552,368 4.519,369 2.509,370 1.552,371 2.322,373 4.384,374 1.494,375 3.033,376 1.533,377 4.333,378 2.495,379 1.533,380 2.3,382 4.052,383 1.46,384 2.654,385 1.41,386 4.234,387 2.309,388 1.345,389 1.72,391 3.529,392 1.292,393 2.601,394 1.154,395 3.672,396 2.103,397 1.151,398 1.636,400 2.661,401 1.093,402 2.411,403 0.973,404 3.431,405 1.921,406 0.966,407 1.376,409 2.308,410 0.92,411 1.911,412 0.702,413 3.248,414 1.662,415 0.683,416 0.792,417 1.74,418 0.667,419 1.837,420 0.618,421 3.036,422 1.618,423 0.618,424 0.618,425 1.372,426 0.618,427 1.618,428 0.4,429 3,430 1.365,431 0.395,432 0.584,433 0.983,434 0.383,435 1.061,436 -0.153,437 2.652,438 0.63,439 -0.286,440 -0.364,441 -0.672,442 -0.261,443 0.846,444 -0.589,445 2.461,446 0.383,447 -0.59,448 -0.817,449 -1.644,450 -0.572,451 11.4,452 0.475,453 0.534,454 0.022,455 33,456 1.375,457 16.5,458 0.688,459 16.5,460 0.688,461 18.427,462 0.768,463 24.6,464 0.586,465 21.577,466 0.899,467 6.011,468 0.25,469 5.798,470 0.242,471 0.035,473 0.386,478 0.935,479 1.187,480 0.764,481 0.941,482 0.977,483 0.849,484 0.772,485 1.136,486 0.823,487 1.027,488 0.579,489 0.949,490 0.968,491 1.17,492 0.887,493 1.019,494 0.696,495 0.956,496 1.053,497 0.896,498 0.865,499 0.806,500 0.954,501 0.809,502 1.418,503 1.024,504 1.115,505 0.937,506 1.202,507 0.976,508 1.267,509 1.218,510 1.174,511 1.162,512 1.448,513 1.156,514 1.038,515 1.051,516 1.18,517 1.162,518 1.422,519 1.185,520 1.113,521 0.928,522 1.118,523 1.009,524 1.223,525 1.054,526 3.5,528 2.889,529 1.764,530 1.522,531 0.716,532 0.469,533 0.348,534 0.148,535 0.047,536 6351,537 14071,538 2.262,539 42.9,540 4,541 5,542 1,543 1,544 3,546 4,549 1.676,550 2.182,551 3.02,552 0.998,553 1,554 1,556 1,558 60.85,559 1.449,560 3.754,561 4.488,562 4.869,563 4.869,564 4.869,565 2.44,566 4.22,567 4.558,568 3.145,569 868.043,570 7.902,571 9735.16,572 1,573 1,575 1,576 226.477,577 1.175,578 4.543,579 0.125,581 0.07,582 0.045,583 0.039,584 0.02,585 0.014,586 0.012,587 0.008,588 0.005,589 0.339,590 0.33,591 0.88,592 0.382,593 110.695,594 0.003,595 -0.012,596 0.064,597 0.044,598 -0.043,599 0.059,600 0.144,601 -0.036,602 0.052,603 -0.037,604 0.181,605 -0.011,606 0.012,607 -0.177,608 0.077,609 -0.045,610 0.143,611 0.013,612 0.131,613 0.128,614 0.127,615 0.126,616 0.137,617 0.126,618 -0.256,619 0.043,620 -0.165,621 -0.006,622 -0.173,623 -0.061,624 -0.2,625 -0.144,626 -0.256,627 -0.213,628 -0.251,629 -0.237,630 -0.025,631 -0.064,632 -0.209,633 -0.2,634 -0.204,635 -0.225,636 -0.139,637 -0.047,638 -0.076,639 -0.033,640 -0.1,641 -0.044,642 1.175,643 2.187,644 0.958,645 17.167,646 0.998,647 1.131,648 3.531,649 12.47,650 0.681,651 3.367,652 3.738,653 4.111,654 4.466,655 4.682,656 4.883,657 5.081,658 5.268,659 5.328,660 5.384,661 5.036,662 0.65,663 318.42,664 3.367,665 4.934,666 5.832,667 6.746,668 7.662,669 8.584,670 9.507,671 10.433,672 11.359,673 12.288,674 14.3,678 1,682 2,684 3,689 4,690 6,691 3,692 1,695 3,696 1,697 20,708 1,716 42,718 20,719 1,720 28,722 46,723 18,724 13,725 3,726 3,728 5,729 7,735 5,738 5,740 13,741 5,756 1,757 1,760 18,761 4,762 3,763 6,769 6,775 0.6,785 1,788 1,789 1,793 3,794 2,797 2,819 3,827 24,828 1,833 4,837 1,858 11,859 7.467,860 5.111,861 2.704,863 3.983,864 1.515,865 1.084,866 3.101,867 11.719,868 3.664,869 4.363,870 5.091,871 5.796,872 6.355,873 6.837,874 7.362,875 7.89,876 8.22,877 8.651,878 1,879 39,880 8.86,881 3.921,882 7.521,883 17.368,884 15.204,885 2.021,886 48.5,889 1,890 176.567,891 82.985,892 101.693,897 82.985,898 176.567,899 101.693,901 10.138,902 79.85,903 63.72,904 38.269,905 16.243,906 153.024,908 176.567,909 184.678,913 129.482,914 47.084,917 41.791,918 92.653,919 50.234,921 176.567,922 101.693,923 82.985,926 176.567,927 27.414,928 57.348,929 16.786,930 83.131,931 176.567,932 101.693,933 82.985,935 0.589,936 0.362,937 0.212,938 0.108,939 24,940 9,941 0.043,942 2,943 2,944 1.174,945 3.633,946 219.375,947 0.174,948 23,949 106.039,954 13.996,955 5.317,956 2.156,957 3.972,958 83.131,959 11.837,960 13.592,961 3.257,964 2.394,965 2.064,966 49.683,967 361.245,968 38,980 41.912,981 47.481,983 0.269,984 0.696,985 0.832,986 0.903,987 0.903,988 0.903,989 4.913,990 1.345,991 5.826,992 4.052,993 4.419,994 5.05,996 6.706,997 4.351,998 6.145,999 1.151,1000 7.419,1001 3.529,1002 4.007,1003 4.956,1005 7.722,1006 3.908,1007 7.481,1008 0.966,1009 9.116,1010 2.661,1011 6.066,1012 7.401,1014 10.895,1015 5.936,1016 8.863,1017 0.683,1018 10.877,1019 2.308,1020 6.553,1021 8.224,1023 12.785,1024 6.39,1025 10.282,1026 0.618,1027 12.678,1028 1.74,1029 8.038,1030 10.1,1032 15.47,1033 7.844,1034 11.728,1035 0.395,1036 14.509,1037 1.372,1038 8.916,1039 11.326,1041 17.706,1042 8.689,1043 13.194,1044 -0.286,1045 16.359,1046 0.983,1047 10.195,1048 12.989,1050 20.243,1051 9.936,1052 3.349,1053 -0.59,1054 18.225,1055 -0.672,1056 11.245,1057 14.392,1059 22.624,1060 10.95,1061 2.936,1062 12.147,1063 20.102,1064 -1.644,1065 12.454,1066 15.973,1068 25.12,1069 12.124,1070 2.677,1071 9.503,1072 21.99,1073 4.738,1074 13.579,1075 17.452,1077 27.562,1078 13.213,1079 2.38,1080 8.961,1081 23.885,1082 4.353,1083 14.768,1084 19.004,1086 30.05,1087 14.366,1088 1.996,1089 7.634,1090 25.787,1091 3.312,1092 15.928,1093 20.516,1095 32.52,1096 15.489,1097 1.552,1098 5.69,1099 27.695,1100 3.198,1101 17.114,1102 22.058,1104 35.008,1105 16.638,1106 1.533,1107 4.384,1108 29.608,1109 2.366,1110 18.292,1111 23.586,1113 37.491,1114 17.778,1115 5770,1116 8735,1117 19.592,1118 28.603,1119 43.113,1120 43.039,1121 43.439,1122 43.23,1123 43.162,1124 58.631,1126 129.925,1127 41.647,1128 5.668,1129 5.389,1130 6.646,1131 5.387,1132 5.349,1133 7.738,1135 19.687,1136 5.229,1137 5.845,1138 1.54,1139 1.537,1140 1.551,1141 1.544,1142 1.541,1143 2.094,1145 4.64,1146 1.487,1147 4.181,1148 4.223,1149 4.154,1150 4.075,1151 5.257,1152 4.087,1153 4.033,1154 4.08,1155 3.994,1156 3.891,1157 4.983,1158 3.912,1159 3.793,1160 3.851,1161 3.667,1162 3.678,1163 4.843,1164 3.669,1165 3.421,1166 3.482,1167 3.353,1168 3.279,1169 4.515,1170 3.288,1171 3.231,1172 3.323,1173 3.145,1174 2.958,1175 4.26,1176 2.995,1177 3.005,1178 3.099,1179 2.897,1180 2.824,1181 4.125,1182 2.828,1183 2.911,1184 2.993,1185 2.78,1186 2.698,1187 3.766,1188 2.713,1189 2.869,1190 2.979,1191 2.583,1192 2.671,1193 3.647,1194 2.635,1195 0.17,1196 0.121,1197 0.252,1198 0.154,1199 0.12,1200 4.766,1201 0.169,1202 3.389,1204 7.051,1205 0.434,1206 4.312,1207 0.115,1208 3.349,1209 4.738,1211 12.147,1212 3.229,1213 1.966,1214 1.946,1215 2.035,1216 2.05,1217 1.244,1218 2.043,1219 1.802,1220 1.758,1221 1.894,1222 1.991,1223 1.211,1224 1.964,1225 1.598,1226 1.541,1227 1.86,1228 1.789,1229 1.187,1230 1.793,1231 1.577,1232 1.507,1233 1.758,1234 1.751,1235 0.879,1236 1.783,1237 1.481,1238 1.418,1239 1.656,1240 1.696,1241 0.656,1242 1.692,1243 1.178,1244 1.121,1245 1.286,1246 1.398,1247 0.359,1248 1.377,1249 0.923,1250 0.84,1251 1.182,1252 1.247,1253 0.18,1254 1.238,1255 0.817,1256 0.743,1257 1.101,1258 1.085,1259 0.096,1260 1.083,1261 4.043,1263 5.398,1264 3.434,1265 6.948,1266 5.733,1267 8.592,1268 7.803,1269 10.289,1275 6.187,1277 4.79,1281 0.407,1289 27.289,1290 60.85,1291 157.683,1292 188.477,1293 204.477,1294 204.477,1295 204.477,1296 27.645,1297 7.736,1298 85.41,1299 85.41,1300 27,1301 12.792,1302 4.392,1303 3.459,1304 30.081,1305 71,1306 66,1307 0.208,1308 163.812,1309 259.44,1310 391.462,1311 22600,1313 16.096,1314 0.671,1315 0.552,1316 16.096,1317 13.236,1318 11.81,1319 0.422,1320 0.299,1321 8.276,1322 11.425,1323 8.153,1324 6.717,1325 11.81,1326 8.373,1327 10.782,1328 0.263,1329 0.158,1330 10.782,1331 6.469,1332 9.878,1333 0.165,1334 0.084,1335 9.878,1336 5.017,1337 8.93,1338 0.104,1339 0.044,1340 8.93,1341 3.796,1342 6.856,1343 0.064,1344 0.021,1345 6.856,1346 2.222,1347 0.312,1348 73.455,1349 0.226,1350 22.753,1351 0.622,1352 138,1353 334.226,1354 149.157,1355 334.444,1356 483.65,1357 316,1358 170,1359 387.265,1360 182.795,1361 392.299,1362 583.77,1363 372,1364 6.77}
{0 CHEMBL1242665,1 1.511,2 7.364,3 1.729,4 2.988,5 85.031,6 7.929,7 0.8,8 3.758,9 3.897,10 3.395,11 3.256,12 4.918,13 3.268,14 4.259,15 4.447,16 3.788,17 3.65,18 5.363,19 3.653,20 4.425,21 4.635,22 3.8,23 3.755,24 5.5,25 3.734,26 4.5,27 4.726,28 3.776,29 3.774,30 5.596,31 3.726,32 4.428,33 4.657,34 3.605,35 3.689,36 5.443,37 3.624,38 4.341,39 4.545,40 3.59,41 3.625,42 5.449,43 3.568,44 4.452,45 4.727,46 3.345,47 3.54,48 5.467,49 3.419,50 4.265,51 4.591,52 2.983,53 3.203,54 5.092,55 3.056,56 0.063,57 0.655,58 6.891,59 2.641,60 8.557,61 3.61,62 0.208,63 1.015,64 13.142,65 4.388,66 17.348,67 6.237,68 0.226,69 1.136,70 16.338,71 5.028,72 18.379,73 7.326,74 0.31,75 1.17,76 18.309,77 5.936,78 30.435,79 8.618,80 0.271,81 1.065,82 17.072,83 5.333,84 24.183,85 7.765,86 0.177,87 1.013,88 14.561,89 4.985,90 20.672,91 7.168,92 0.388,93 0.972,94 19.446,95 5.786,96 41.972,97 8.684,98 0.223,99 0.711,100 18.364,101 5.111,102 24.554,103 8.279,104 11,105 37,106 0.268,107 0.684,108 0.81,109 0.83,110 0.83,111 0.83,112 3.149,113 0.848,114 -4.08,115 -4.03,116 -3.82,118 40.5,119 2,126 1,138 2,139 2,141 1,142 1,143 1,144 1,147 2,156 2,158 1,159 1,160 1,161 1,167 2,170 3,171 10,172 1,173 1,175 1,178 3,180 1,181 1,182 7,188 2,191 2,192 7,194 3,195 3,197 1,199 2,201 1,203 2,204 6,208 2,211 2,213 2,214 2,215 2,220 2,223 4,225 2,227 4,230 2,231 2,240 4,264 596,265 14.93,266 14.93,267 14.93,268 14.93,269 14.93,270 12.687,271 9.487,272 8.559,273 15.368,274 12.338,275 12.338,276 12.338,277 12.338,278 12.338,279 8.888,280 7.5,281 4.022,282 13.044,283 3.699,284 1.349,285 0.635,286 0.527,287 0.527,288 0.527,289 3.844,292 1,293 1,294 1,295 358,296 2.646,299 81.99,300 94.212,303 147.247,307 1.091,308 15.367,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47.5,320 162,321 4.762,322 3.376,323 7.039,324 4.302,325 3.339,326 4.737,328 12.088,329 3.218,330 4.414,331 2.939,332 6.253,333 3.866,334 2.93,335 4.353,337 9.393,338 2.749,339 3.852,340 2.666,341 6.073,342 3.507,343 2.557,344 3.301,346 8.572,347 2.424,348 3.746,349 2.404,350 5.713,351 3.324,352 2.37,353 3.179,355 7.457,356 2.255,357 3.056,358 1.822,359 4.82,360 2.685,361 1.743,362 2.328,364 4.819,365 1.637,366 3.034,367 1.55,368 4.518,369 2.493,370 1.55,371 2.3,373 4.378,374 1.457,375 3.009,376 1.533,377 4.333,378 2.474,379 1.533,380 2.133,382 4.044,383 1.441,384 2.636,385 1.155,386 3.864,387 2.096,388 1.153,389 1.7,391 2.795,392 1.085,393 2.47,394 1,395 3.509,396 1.955,397 1,398 1.457,400 2.398,401 0.952,402 2.133,403 0.837,404 3.419,405 1.764,406 0.806,407 1.036,409 2.014,410 0.77,411 1.885,412 0.401,413 3.036,414 1.347,415 0.396,416 0.588,417 0.984,418 0.376,419 1.061,420 -0.155,421 2.652,422 0.627,423 -0.288,424 -0.367,425 -0.673,426 -0.263,427 0.846,428 -0.59,429 2.424,430 0.377,431 -0.59,432 -0.818,433 -1.644,434 -0.569,435 0.628,436 -0.797,437 2.259,438 0.097,439 -0.841,440 -1,441 -2,442 -0.785,443 0.545,444 -0.907,445 2.206,446 0.018,447 -0.922,448 -1.149,449 -2.365,450 -0.865,451 10.3,452 0.468,453 0.61,454 0.028,455 32.25,456 1.466,457 16.5,458 0.75,459 15.75,460 0.716,461 15.28,462 0.695,463 22.7,464 0.614,465 21.462,466 0.976,467 6.16,468 0.28,469 4.488,470 0.204,471 0.136,473 0.417,478 0.93,479 1.443,480 0.72,481 1.076,482 1.069,483 0.898,484 0.886,485 1.095,486 0.687,487 0.845,488 0.621,489 0.751,490 1.206,491 1.125,492 0.914,493 0.897,494 0.865,495 0.862,496 0.908,497 0.965,498 0.943,499 0.975,500 0.974,501 0.966,502 1.179,503 0.996,504 1.143,505 1.03,506 1.05,507 1.071,508 1.019,509 1.363,510 1.154,511 1.359,512 1.221,513 1.294,514 0.96,515 0.772,516 1.202,517 1.051,518 1.503,519 1.149,520 0.831,521 0.947,522 0.803,523 0.881,524 0.585,525 0.845,526 4,528 2.889,529 1.986,530 1.682,531 0.747,532 0.484,533 0.336,534 0.173,535 0.056,536 4631,537 12037,538 2.148,539 40.5,541 3,542 2,543 2,544 2,546 6,549 1.652,550 2,551 2.918,552 0.393,553 1,554 1,556 1,558 55.892,559 1.511,560 3.86,561 4.574,562 4.682,563 4.682,564 4.682,565 2.244,566 4.096,567 4.433,568 3.039,569 701.894,570 7.649,571 7411.73,572 1,573 1,575 1,576 192.75,577 1.437,578 4.388,579 0.16,581 0.078,582 0.054,583 0.048,584 0.026,585 0.017,586 0.017,587 0.012,588 0.009,589 0.421,590 0.67,591 1,592 0.797,593 98.122,594 -0.014,595 -0.251,596 0.069,597 -0.093,598 -0.179,599 -0.014,600 0.134,601 0.018,602 0.194,603 0.112,604 0.181,605 0.154,606 -0.186,607 -0.058,608 -0.003,609 0.057,610 -0.007,611 0.059,612 0.083,613 0.057,614 -0.002,615 -0.009,616 0.062,617 -0.018,618 -0.184,619 0.023,620 -0.204,621 -0.069,622 -0.121,623 -0.128,624 -0.076,625 -0.315,626 -0.258,627 -0.39,628 -0.119,629 -0.362,630 0.08,631 0.148,632 -0.176,633 -0.102,634 -0.24,635 -0.169,636 0.089,637 -0.193,638 0.331,639 0.121,640 0.308,641 0.243,642 1.227,643 2.075,644 0.818,645 14.281,646 1.007,647 1.139,648 2.854,649 8.145,650 0.678,651 3.258,652 3.638,653 3.989,654 4.331,655 4.564,656 4.718,657 4.844,658 4.997,659 5.011,660 5.063,661 4.727,662 0.656,663 293.37,664 3.258,665 4.828,666 5.72,667 6.637,668 7.55,669 8.473,670 9.393,671 10.318,672 11.241,673 12.168,674 18.9,678 1,682 2,684 4,689 3,690 6,691 4,695 3,696 1,697 20,708 1,716 37,718 20,720 25,722 40,723 15,724 12,728 4,729 6,732 2,738 1,740 12,741 3,756 1,757 1,760 15,761 5,762 2,763 7,766 1,769 7,775 0.5,785 1,787 1,788 1,793 2,794 2,797 2,819 2,823 2,827 22,828 1,837 1,858 11,859 7.367,860 4.694,861 2.212,863 4.036,864 1.548,865 1.039,866 2.876,867 11.394,868 3.584,869 4.311,870 5.047,871 5.756,872 6.317,873 6.781,874 7.281,875 7.804,876 8.115,877 8.545,878 0.8,879 37,880 8.061,881 3.472,882 7.652,883 15.394,884 12.785,885 2.152,886 47.333,890 153.024,891 86.638,892 102.98,897 86.638,898 153.024,899 102.98,900 17.65,902 69.945,903 93.992,904 29.244,905 25.87,906 105.94,908 153.024,909 189.617,913 82.398,914 70.627,917 44.567,918 78.031,919 67.02,921 153.024,922 102.98,923 86.638,926 153.024,927 14.274,928 75.427,930 99.917,931 153.024,932 102.98,933 86.638,935 0.595,936 0.361,937 0.208,938 0.113,939 21,940 9,941 0.05,942 2,943 2,944 1.222,945 3.351,946 189.252,947 0.222,948 18,949 96.107,954 13.225,955 4.784,956 1.994,957 2.396,958 99.917,959 11.076,960 17.485,964 2.173,965 1.873,966 32.897,967 342.642,968 35,980 37.247,981 42.149,983 0.29,984 0.741,985 0.878,986 0.899,987 0.899,988 0.899,989 4.828,990 1.153,991 5.733,992 4.044,993 4.317,994 4.997,996 6.621,997 4.214,998 6.086,999 1,1000 7.339,1001 2.795,1002 4.007,1003 4.956,1005 7.667,1006 3.863,1007 7.431,1008 0.806,1009 9.047,1010 2.398,1011 5.979,1012 7.379,1014 10.823,1015 5.781,1016 8.82,1017 0.396,1018 10.814,1019 2.014,1020 6.509,1021 8.216,1023 12.718,1024 6.273,1025 10.245,1026 -0.288,1027 12.62,1028 0.984,1029 7.965,1030 10.091,1032 15.4,1033 7.684,1034 11.695,1035 -0.59,1036 14.452,1037 -0.673,1038 8.862,1039 11.321,1041 17.638,1042 8.545,1043 13.165,1044 -0.841,1045 16.304,1046 -1.644,1047 10.131,1048 12.984,1050 20.174,1051 9.774,1052 3.339,1053 -0.922,1054 18.171,1055 -2,1056 11.189,1057 14.388,1059 22.556,1060 10.797,1061 2.93,1062 12.088,1063 20.049,1064 -2.365,1065 12.395,1066 15.97,1068 25.05,1069 11.965,1070 2.557,1071 9.393,1072 21.937,1073 4.737,1074 13.524,1075 17.449,1077 27.492,1078 13.06,1079 2.37,1080 8.572,1081 23.832,1082 4.353,1083 14.711,1084 19.001,1086 29.977,1087 14.212,1088 1.743,1089 7.457,1090 25.735,1091 3.301,1092 15.873,1093 20.513,1095 32.445,1096 15.34,1097 1.55,1098 4.819,1099 27.643,1100 3.179,1101 17.058,1102 22.055,1104 34.93,1105 16.491,1106 1.533,1107 4.378,1108 29.556,1109 2.328,1110 18.236,1111 23.583,1113 37.411,1114 17.636,1115 4398,1116 7226,1117 16.819,1118 25.086,1119 39.193,1120 38.662,1121 40.034,1122 38.772,1123 38.753,1124 54.225,1126 117.881,1127 36.729,1128 5.437,1129 5.376,1130 6.567,1131 5.375,1132 5.339,1133 7.737,1135 19.555,1136 5.172,1137 9.728,1138 1.568,1139 1.546,1140 1.601,1141 1.551,1142 1.55,1143 2.169,1145 4.715,1146 1.469,1147 4.171,1148 4.219,1149 4.149,1150 4.025,1151 5.26,1152 4.05,1153 4.015,1154 4.073,1155 3.987,1156 3.828,1157 5.059,1158 3.861,1159 3.578,1160 3.655,1161 3.445,1162 3.411,1163 4.854,1164 3.403,1165 3.388,1166 3.442,1167 3.319,1168 3.249,1169 4.52,1170 3.261,1171 3.117,1172 3.213,1173 3.001,1174 2.876,1175 4.26,1176 2.901,1177 2.987,1178 3.092,1179 2.868,1180 2.743,1181 4.044,1182 2.751,1183 2.881,1184 3.009,1185 2.763,1186 2.669,1187 3.784,1188 2.698,1189 2.874,1190 2.953,1191 2.499,1192 2.618,1193 3.649,1194 2.57,1195 0.19,1196 0.135,1197 0.282,1198 0.172,1199 0.134,1200 4.762,1201 0.189,1202 3.376,1204 7.039,1205 0.484,1206 4.302,1207 0.129,1208 3.339,1209 4.737,1211 12.088,1212 3.218,1213 1.942,1214 1.91,1215 2.007,1216 2.076,1217 1.157,1218 2.058,1219 1.801,1220 1.749,1221 1.946,1222 2.013,1223 1.125,1224 1.987,1225 1.617,1226 1.55,1227 1.777,1228 1.828,1229 0.847,1230 1.824,1231 1.399,1232 1.342,1233 1.56,1234 1.591,1235 0.549,1236 1.586,1237 1.138,1238 1.071,1239 1.417,1240 1.411,1241 0.469,1242 1.377,1243 0.934,1244 0.819,1245 1.247,1246 1.239,1247 0.235,1248 1.308,1249 0.901,1250 0.804,1251 1.139,1252 1.239,1253 0.166,1254 1.22,1255 0.817,1256 0.742,1257 1.1,1258 1.083,1259 0.034,1260 1.075,1261 3.932,1263 5.293,1264 3.045,1265 6.851,1266 5.416,1267 8.502,1268 7.554,1269 10.204,1271 4.124,1275 6.075,1281 0.181,1289 24.257,1290 55.892,1291 142.834,1292 169.24,1293 173.24,1294 173.24,1295 173.24,1296 24.879,1297 7.358,1298 86.92,1299 86.92,1300 22,1301 12.673,1302 4.392,1303 3.459,1304 29.673,1305 61,1306 56,1307 0.243,1308 149.223,1309 230.9,1310 355.864,1311 14040,1313 15.267,1314 0.694,1315 0.559,1316 15.267,1317 12.302,1318 10.648,1319 0.426,1320 0.283,1321 6.947,1322 10.155,1323 6.748,1324 5.632,1325 10.648,1326 7.067,1327 9.981,1328 0.27,1329 0.147,1330 9.981,1331 5.453,1332 8.729,1333 0.165,1334 0.069,1335 8.729,1336 3.679,1337 7.769,1338 0.104,1339 0.035,1340 7.769,1341 2.615,1342 6.227,1343 0.066,1344 0.018,1345 6.227,1346 1.741,1347 0.361,1348 67.059,1349 0.244,1350 21.001,1351 0.729,1352 124,1353 343.183,1354 137.627,1355 340.019,1356 487.22,1357 320,1358 152,1359 390.279,1360 167.32,1361 393.58,1362 582.18,1363 371,1364 4}
{0 CHEMBL1242666,1 1.597,2 8.75,3 2.479,4 6.145,5 94.241,6 8.01,7 0.741,8 3.824,9 3.954,10 3.458,11 3.359,12 5.022,13 3.364,14 4.321,15 4.492,16 3.85,17 3.764,18 5.446,19 3.756,20 4.516,21 4.707,22 3.924,23 3.879,24 5.64,25 3.857,26 4.635,27 4.851,28 3.917,29 3.896,30 5.811,31 3.855,32 4.556,33 4.775,34 3.707,35 3.805,36 5.644,37 3.74,38 4.452,39 4.659,40 3.65,41 3.723,42 5.573,43 3.66,44 4.505,45 4.766,46 3.443,47 3.648,48 5.517,49 3.536,50 4.376,51 4.677,52 3.241,53 3.409,54 5.325,55 3.287,56 0.078,57 0.672,58 7.196,59 3.069,60 9.892,61 3.933,62 0.197,63 1.056,64 13.553,65 5.248,66 22.265,67 6.995,68 0.21,69 1.237,70 17.138,71 6.096,72 20.309,73 8.374,74 0.413,75 1.319,76 20.894,77 6.959,78 42.756,79 9.633,80 0.317,81 1.184,82 19.424,83 6.404,84 37.125,85 8.787,86 0.235,87 1.096,88 16.783,89 5.876,90 32.561,91 8.07,92 0.338,93 1.075,94 19.966,95 6.343,96 40.46,97 9.234,98 0.291,99 0.856,100 19.834,101 6.052,102 36.569,103 9.294,104 21,105 40,106 0.278,107 0.696,108 0.819,109 0.84,110 0.84,111 0.84,112 3.23,113 0.85,114 -3.96,115 -3.91,116 -3.71,118 42.5,119 2,126 1,138 3,139 4,142 1,143 1,144 1,147 1,148 1,150 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 8,172 1,173 1,175 4,178 7,180 1,181 1,182 6,186 2,188 6,191 2,192 8,194 3,195 4,197 2,199 4,201 1,204 8,206 1,208 3,211 3,213 2,215 7,218 1,220 3,223 5,225 3,228 3,231 2,232 1,233 1,234 1,235 2,237 1,239 1,240 3,245 3,247 2,249 1,251 1,260 2,264 756,265 16.301,266 16.301,267 16.301,268 16.301,269 16.301,270 14.011,271 10.132,272 9.252,273 16.598,274 13.243,275 13.243,276 13.243,277 13.243,278 13.243,279 9.606,280 7.5,281 4.243,282 13.711,283 3.725,284 1.317,285 0.607,286 0.488,287 0.488,288 0.488,289 3.924,292 1,293 1,294 1,295 459,296 2.915,299 91.987,300 106.479,303 166.107,307 1.375,308 22.003,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 52,320 210,321 4.765,322 3.378,323 7.04,324 4.306,325 3.341,326 4.741,328 12.089,329 3.228,330 4.539,331 3.182,332 6.541,333 4.057,334 3.072,335 4.494,337 10.319,338 3.023,339 3.9,340 2.772,341 6.136,342 3.555,343 2.59,344 3.379,346 8.768,347 2.5,348 3.771,349 2.645,350 5.753,351 3.383,352 2.421,353 3.19,355 7.585,356 2.326,357 3.335,358 2.403,359 5.1,360 2.888,361 1.902,362 2.658,364 5.802,365 1.869,366 3.05,367 1.825,368 4.819,369 2.682,370 1.741,371 2.321,373 4.817,374 1.635,375 3.014,376 1.679,377 4.435,378 2.501,379 1.546,380 2.141,382 4.072,383 1.474,384 2.858,385 1.546,386 4.195,387 2.34,388 1.372,389 2.006,391 3.655,392 1.323,393 2.509,394 1.301,395 3.86,396 1.994,397 1.039,398 1.505,400 2.744,401 0.989,402 2.337,403 1.029,404 3.49,405 1.768,406 0.806,407 1.125,409 2.036,410 0.774,411 2.131,412 0.838,413 3.242,414 1.744,415 0.741,416 1.026,417 1.611,418 0.733,419 1.916,420 0.581,421 2.753,422 1.312,423 0.249,424 0.409,425 0.397,426 0.263,427 1.062,428 -0.149,429 2.562,430 0.631,431 -0.287,432 -0.365,433 -0.669,434 -0.262,435 0.873,436 -0.502,437 2.424,438 0.416,439 -0.565,440 -0.789,441 -1.476,442 -0.554,443 0.696,444 -0.714,445 2.26,446 0.193,447 -0.803,448 -1,449 -2,450 -0.79,451 11.233,452 0.468,453 0.661,454 0.028,455 34.25,456 1.427,457 18,458 0.75,459 16.25,460 0.677,461 17.423,462 0.726,463 24.767,464 0.619,465 24.503,466 1.021,467 6.683,468 0.278,469 4.913,470 0.205,471 0.154,473 0.436,478 0.8,479 1.224,480 0.725,481 0.961,482 0.706,483 0.844,484 0.758,485 1.052,486 0.688,487 0.85,488 0.613,489 0.771,490 0.904,491 1.208,492 0.86,493 0.998,494 0.584,495 0.923,496 0.903,497 0.947,498 0.958,499 0.957,500 0.852,501 0.961,502 1.183,503 1.028,504 1.173,505 1.043,506 0.986,507 1.089,508 1.045,509 1.265,510 1.156,511 1.219,512 1.012,513 1.208,514 0.853,515 0.909,516 1.173,517 1.062,518 0.799,519 1.14,520 0.667,521 0.888,522 0.788,523 0.858,524 0.542,525 0.84,526 4.5,527 0.054,528 3.333,529 2.458,530 1.847,531 0.861,532 0.58,533 0.345,534 0.285,535 0.164,536 5841,537 16558,538 2.11,539 40,541 4,542 1,543 2,544 3,546 6,549 1.674,550 1.946,551 3.098,552 1.039,553 1,554 1,556 1,558 63.88,559 1.597,560 4.005,561 4.715,562 4.834,563 4.834,564 4.834,565 2.555,566 4.335,567 4.556,568 3.235,569 892.868,570 7.887,571 9985.41,572 1,573 1,575 1,576 212.877,577 1.483,578 4.504,579 0.167,580 0.008,581 0.083,582 0.059,583 0.046,584 0.027,585 0.019,586 0.015,587 0.015,588 0.013,589 0.451,590 0.5,591 1,592 0.921,593 111.333,594 -0.045,595 -0.047,596 0.04,597 0.02,598 -0.092,599 0.041,600 0.054,601 0.05,602 0.161,603 0.13,604 0.023,605 0.154,606 -0.081,607 -0.133,608 0.022,609 -0.035,610 0.021,611 0.006,612 0.081,613 0.086,614 -0.012,615 -0.012,616 0.033,617 -0.026,618 -0.219,619 -0.015,620 -0.227,621 -0.087,622 -0.106,623 -0.143,624 -0.153,625 -0.241,626 -0.238,627 -0.255,628 -0.14,629 -0.263,630 -0.045,631 0.052,632 -0.171,633 -0.106,634 -0.13,635 -0.148,636 0.154,637 -0.058,638 0.316,639 0.145,640 0.185,641 0.244,642 1.262,643 4.066,644 0.75,645 17.833,646 1.009,647 1.132,648 2.727,649 7.437,650 0.682,651 3.332,652 3.714,653 4.078,654 4.419,655 4.654,656 4.812,657 4.956,658 5.124,659 5.193,660 5.303,661 5.228,662 0.662,663 320.39,664 3.332,665 4.905,666 5.802,667 6.723,668 7.64,669 8.566,670 9.489,671 10.418,672 11.343,673 12.273,674 15,678 1,682 2,684 3,689 4,690 5,691 3,692 1,695 4,696 1,697 20,698 1,708 1,716 40,718 21,719 1,720 27,722 43,723 17,724 13,725 3,726 3,727 1,728 4,729 6,732 2,738 1,740 14,741 3,744 1,749 1,751 1,756 1,757 1,760 16,761 5,762 3,763 7,769 6,775 0.5,776 1,785 1,788 1,789 1,793 2,794 2,797 2,819 2,823 2,827 24,828 1,837 1,850 2.5,853 1,858 12.333,859 7.883,860 5.222,861 2.378,863 4.169,864 1.55,865 1.035,866 3.358,867 11.753,868 3.664,869 4.376,870 5.125,871 5.838,872 6.407,873 6.88,874 7.388,875 7.923,876 8.283,877 8.751,878 0.833,879 42,880 8.807,881 3.821,882 7.799,883 16.669,884 13.929,885 2.299,886 55.167,889 1,890 153.024,891 95.631,892 101.693,894 25.145,897 95.631,898 178.169,899 101.693,900 17.65,902 70.373,903 112.061,904 41.455,905 16.243,906 117.711,908 153.024,909 197.324,910 25.145,913 82.398,914 95.772,917 49.303,918 86.362,919 61.658,921 153.024,922 126.838,923 95.631,926 153.024,927 20.461,928 76.946,929 16.786,930 108.276,931 153.024,932 126.838,933 95.631,935 0.592,936 0.368,937 0.212,938 0.115,939 22,940 10,941 0.07,942 3,943 2,944 1.222,945 3.489,946 212.262,947 0.222,948 18,949 108.039,954 14.851,955 5.427,956 2.225,957 3.211,958 108.276,959 8.949,960 13.154,961 3.113,964 2.674,965 1.846,966 49.683,967 375.493,968 38,973 11.066,975 0.84,980 40.356,981 45.275,983 0.3,984 0.753,985 0.886,986 0.908,987 0.908,988 0.908,989 4.913,990 1.372,991 5.82,992 4.072,993 4.394,994 5.063,996 6.72,997 4.33,998 6.171,999 1.039,1000 7.435,1001 3.655,1002 4.111,1003 5.047,1005 7.794,1006 4.021,1007 7.518,1008 0.806,1009 9.152,1010 2.744,1011 6.071,1012 7.45,1014 10.945,1015 5.948,1016 8.91,1017 0.741,1018 10.926,1019 2.036,1020 6.621,1021 8.31,1023 12.853,1024 6.476,1025 10.338,1026 0.249,1027 12.738,1028 1.611,1029 8.071,1030 10.174,1032 15.533,1033 7.895,1034 11.792,1035 -0.287,1036 14.575,1037 0.397,1038 8.983,1039 11.423,1041 17.773,1042 8.78,1043 13.266,1044 -0.565,1045 16.431,1046 -0.669,1047 10.251,1048 13.082,1050 20.303,1051 10.018,1052 3.341,1053 -0.803,1054 18.301,1055 -1.476,1056 11.318,1057 14.5,1059 22.679,1060 11.056,1061 3.072,1062 12.089,1063 20.182,1064 -2,1065 12.523,1066 16.082,1068 25.165,1069 12.231,1070 2.59,1071 10.319,1072 22.072,1073 4.741,1074 13.656,1075 17.57,1077 27.598,1078 13.334,1079 2.421,1080 8.768,1081 23.969,1082 4.494,1083 14.843,1084 19.125,1086 30.074,1087 14.489,1088 1.902,1089 7.585,1090 25.872,1091 3.379,1092 16.006,1093 20.643,1095 32.533,1096 15.62,1097 1.741,1098 5.802,1099 27.78,1100 3.19,1101 17.189,1102 22.187,1104 35.009,1105 16.771,1106 1.546,1107 4.817,1108 29.693,1109 2.658,1110 18.366,1111 23.718,1113 37.481,1114 17.914,1115 5617,1116 9574,1117 17.918,1118 27.296,1119 42.473,1120 43.513,1121 44.034,1122 41.772,1123 41.638,1124 57.988,1126 127.792,1127 40.275,1128 5.44,1129 5.378,1130 6.583,1131 5.379,1132 5.341,1133 7.741,1135 19.563,1136 5.228,1137 12.235,1138 1.573,1139 1.612,1140 1.631,1141 1.547,1142 1.542,1143 2.148,1145 4.733,1146 1.492,1147 4.182,1148 4.22,1149 4.157,1150 4.082,1151 7.452,1152 4.094,1153 4.033,1154 4.079,1155 4.007,1156 3.88,1157 5.257,1158 3.908,1159 3.579,1160 3.656,1161 3.445,1162 3.418,1163 4.955,1164 3.409,1165 3.465,1166 3.506,1167 3.402,1168 3.329,1169 4.838,1170 3.341,1171 3.159,1172 3.234,1173 3.073,1174 2.899,1175 4.514,1176 2.929,1177 3.121,1178 3.182,1179 3.006,1180 2.887,1181 4.236,1182 2.912,1183 2.989,1184 3.095,1185 2.869,1186 2.683,1187 4.035,1188 2.722,1189 2.874,1190 3.009,1191 2.655,1192 2.618,1193 3.733,1194 2.589,1195 0.176,1196 0.125,1197 0.261,1198 0.159,1199 0.124,1200 4.765,1201 0.176,1202 3.378,1204 7.04,1205 0.448,1206 4.306,1207 0.12,1208 3.341,1209 4.741,1211 12.089,1212 3.228,1213 1.97,1214 1.951,1215 2.034,1216 2.052,1217 1.198,1218 2.044,1219 1.81,1220 1.765,1221 1.947,1222 2.004,1223 1.143,1224 1.984,1225 1.629,1226 1.572,1227 1.783,1228 1.821,1229 0.876,1230 1.821,1231 1.545,1232 1.497,1233 1.679,1234 1.754,1235 0.695,1236 1.735,1237 1.194,1238 1.133,1239 1.417,1240 1.439,1241 0.469,1242 1.411,1243 0.99,1244 0.926,1245 1.315,1246 1.31,1247 0.355,1248 1.308,1249 0.934,1250 0.804,1251 1.215,1252 1.239,1253 0.181,1254 1.289,1255 0.851,1256 0.765,1257 1.124,1258 1.181,1259 0.04,1260 1.164,1261 4.007,1263 5.371,1264 3.045,1265 6.934,1266 5.476,1267 8.591,1268 7.653,1269 10.297,1271 4.081,1275 6.088,1281 0.145,1289 26.477,1290 63.88,1291 160.206,1292 188.612,1293 193.367,1294 193.367,1295 193.367,1296 34.07,1297 7.584,1298 102.48,1299 102.48,1300 22,1301 12.776,1302 4.459,1303 3.585,1304 33.707,1305 74,1306 86,1307 0.228,1308 162.682,1309 260.65,1310 388.704,1311 18538,1313 16.845,1314 0.702,1315 0.555,1316 16.845,1317 13.316,1318 11.597,1319 0.43,1320 0.283,1321 7.539,1322 11.124,1323 7.318,1324 6.101,1325 11.597,1326 7.652,1327 10.7,1328 0.267,1329 0.149,1330 10.7,1331 5.967,1332 9.519,1333 0.164,1334 0.071,1335 9.519,1336 4.121,1337 8.455,1338 0.103,1339 0.036,1340 8.455,1341 2.951,1342 6.825,1343 0.066,1344 0.019,1345 6.825,1346 1.97,1347 0.344,1348 72.883,1349 0.236,1350 22.78,1351 0.668,1352 134,1353 383.961,1354 146.596,1355 378.014,1356 530.25,1357 354,1358 165,1359 408.992,1360 178.957,1361 415.531,1362 613.75,1363 391,1364 5.688}
{0 CHEMBL1242748,1 1.817,2 7.87,3 1.417,4 2.007,5 82.917,6 8.523,7 0.615,8 3.781,9 3.892,10 3.45,11 3.255,12 5.013,13 3.293,14 4.3,15 4.448,16 3.845,17 3.656,18 5.509,19 3.685,20 4.517,21 4.707,22 3.896,23 3.73,24 5.823,25 3.737,26 4.514,27 4.73,28 3.855,29 3.706,30 5.736,31 3.709,32 4.435,33 4.625,34 3.771,35 3.7,36 5.597,37 3.688,38 4.42,39 4.601,40 3.746,41 3.671,42 5.647,43 3.652,44 4.511,45 4.737,46 3.611,47 3.562,48 5.778,49 3.506,50 4.376,51 4.649,52 3.158,53 3.215,54 5.602,55 3.117,56 0.176,57 0.67,58 6.121,59 3.017,60 18.119,61 3.368,62 0.389,63 1.059,64 12.264,65 5.089,66 30.778,67 5.887,68 0.662,69 1.224,70 17.688,71 5.893,72 66.713,73 7.479,74 0.63,75 1.193,76 18.612,77 5.753,78 60.265,79 7.472,80 0.479,81 1.08,82 15.192,83 5.158,84 39.692,85 6.755,86 0.441,87 1.089,88 14.42,89 5.448,90 39.963,91 7,92 0.678,93 1.038,94 19.345,95 6.194,96 66.726,97 8.508,98 0.732,99 0.803,100 21.041,101 5.849,102 87.191,103 8.12,104 10,105 38,106 0.325,107 0.747,108 0.852,109 0.894,110 0.894,111 0.894,112 3.19,113 0.831,114 -4.01,115 -3.96,116 -3.75,118 40.5,120 1,124 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 1,175 2,178 3,180 1,181 2,182 4,186 2,188 3,191 3,192 6,194 3,195 3,197 2,199 2,201 1,203 1,204 6,206 1,208 3,211 1,213 2,215 4,218 1,220 2,223 2,225 2,227 1,228 2,230 1,231 3,232 1,234 1,235 1,240 1,245 1,255 1,264 674,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.702,271 14.573,272 9.039,273 16.104,274 12.821,275 12.821,276 12.821,277 12.821,278 12.821,279 9.901,280 12.629,281 4.272,282 13.611,283 3.392,284 1.038,285 0.453,286 0.216,287 0.216,288 0.216,289 3.884,292 1,293 1,294 1,295 398,296 2.121,299 92.649,300 116.507,303 82.153,307 1.115,308 33.532,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52,320 181,321 4.763,322 3.399,323 7.05,324 4.31,325 3.347,326 4.733,327 0.86,328 12.146,329 3.223,330 4.218,331 3.167,332 6.261,333 3.799,334 2.843,335 3.88,337 9.314,338 2.713,339 3.878,340 2.864,341 5.971,342 3.601,343 2.651,344 3.243,346 8.322,347 2.512,348 3.68,349 2.456,350 5.68,351 3.272,352 2.324,353 3.086,355 7.318,356 2.189,357 3.239,358 2.271,359 5.078,360 2.92,361 1.994,362 2.365,364 5.689,365 1.842,366 2.996,367 1.87,368 4.469,369 2.448,370 1.513,371 2.231,373 4.136,374 1.411,375 2.82,376 1.688,377 4.235,378 2.365,379 1.414,380 1.948,382 3.533,383 1.333,384 2.638,385 1.529,386 4.038,387 2.253,388 1.342,389 1.684,391 3.509,392 1.217,393 2.442,394 1.09,395 3.662,396 1.963,397 1.035,398 1.423,400 2.565,401 0.956,402 1.857,403 0.939,404 3.249,405 1.618,406 0.683,407 0.784,409 1.743,410 0.632,411 1.618,412 0.869,413 3,414 1.538,415 0.618,416 0.618,417 1.372,418 0.563,419 1.371,420 0.579,421 2.736,422 0.989,423 0.103,424 0.124,425 0.227,426 0.089,427 1.057,428 -0.139,429 2.462,430 0.618,431 -0.292,432 -0.371,433 -0.683,434 -0.265,435 0.781,436 -0.286,437 2.375,438 0.353,439 -0.595,440 -0.769,441 -1.604,442 -0.555,443 0.626,444 -0.628,445 2.333,446 0.129,447 -0.795,448 -1.041,449 -2.197,450 -0.727,451 10.452,452 0.454,453 0.61,454 0.027,455 31,456 1.348,457 15,458 0.652,459 16,460 0.696,461 16.527,462 0.719,463 24.948,464 0.674,465 22.565,466 0.981,467 6.148,468 0.267,469 5,470 0.217,471 0.097,473 0.421,477 1,478 0.809,479 1.11,480 0.677,481 1.013,482 0.761,483 0.846,484 0.904,485 1.042,486 0.77,487 0.974,488 0.623,489 0.868,490 0.896,491 1.156,492 0.907,493 1.004,494 0.733,495 0.966,496 0.89,497 0.883,498 0.904,499 0.815,500 0.908,501 0.836,502 0.761,503 0.917,504 1.014,505 0.997,506 0.565,507 1.04,508 0.744,509 1.065,510 1.047,511 1.264,512 0.717,513 1.243,514 0.717,515 0.935,516 1.061,517 1.194,518 0.769,519 1.232,520 1.034,521 0.675,522 1.054,523 0.959,524 1.017,525 1.025,526 4,527 0.02,528 3.111,529 1.819,530 1.647,531 0.796,532 0.551,533 0.398,534 0.172,535 0.087,536 5148,537 16947,538 2.141,539 37.8,541 8,543 1,544 3,547 2,549 1.666,550 2,551 2.981,552 1.118,553 1,554 1,556 1,558 67.234,559 1.817,560 4.171,561 4.757,562 4.993,563 4.993,564 4.993,565 2.426,566 3.882,567 4.495,568 3.09,569 781.869,570 7.783,571 8530.29,572 1,573 1,575 1,576 192.75,577 1.422,578 4.454,579 0.154,580 0.01,581 0.082,582 0.048,583 0.045,584 0.023,585 0.017,586 0.016,587 0.012,588 0.012,589 0.419,590 0.5,591 1,592 0.58,593 104.348,594 -0.102,595 -0.061,596 0.02,597 0.012,598 -0.111,599 0.047,600 -0.091,601 -0.052,602 0.031,603 0.023,605 0.049,606 0.001,607 -0.162,608 0.002,609 -0.041,610 0.119,611 -0.026,612 -0.047,613 0.115,614 0.03,615 0.113,616 -0.073,617 0.102,618 -0.091,619 -0.028,620 -0.173,621 -0.064,622 -0.034,623 -0.114,624 -0.027,625 -0.126,626 -0.207,627 -0.298,628 -0.041,629 -0.302,630 0.159,631 -0.081,632 -0.063,633 -0.241,634 0.075,635 -0.233,636 0.08,637 0.101,638 0.131,639 0.023,640 0.102,641 0.067,642 2.356,643 5.317,644 0.87,645 16.378,646 1.03,647 1.144,648 2.781,649 7.734,650 0.667,651 3.296,652 3.664,653 4.007,654 4.331,655 4.575,656 4.754,657 4.913,658 5.056,659 5.075,660 5.004,661 4.871,662 0.664,663 315.34,664 3.296,665 4.86,666 5.746,667 6.655,668 7.565,669 8.484,670 9.403,671 10.327,672 11.25,673 12.177,674 13.5,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 37,718 16,719 1,720 26,722 40,723 15,724 11,725 3,726 3,728 4,729 5,735 2,738 2,740 11,741 4,756 1,757 1,758 1,760 14,761 7,762 3,763 8,769 5,775 0.75,776 2,781 1,785 1,788 1,793 2,794 2,797 1,818 1,819 3,825 1,827 23,828 1,832 1,833 3,835 1,837 1,849 1,850 5.4,852 1,854 1,858 11.5,859 6.56,860 4.944,861 2.116,863 3.077,864 1.423,865 0.997,866 3.399,867 10.352,868 3.555,869 4.23,870 4.912,871 5.581,872 6.169,873 6.598,874 7.058,875 7.518,876 7.792,877 8.05,878 1,879 38,880 8.513,881 3.817,882 8.022,883 15.802,884 13.349,885 2.522,886 58,890 129.482,891 70.446,892 84.908,894 53.683,895 14.96,897 70.446,898 183.165,899 99.868,901 11.719,902 61.326,903 117.404,904 28.031,905 17.288,906 117.711,908 129.482,909 155.354,910 68.643,913 120.9,914 66.226,915 11,917 26.587,918 78.533,919 50.234,921 144.442,922 138.591,923 70.446,926 129.482,927 33.399,928 38.824,930 151.775,931 129.482,932 153.551,933 70.446,935 0.592,936 0.36,937 0.199,938 0.109,939 21,940 9,941 0.05,942 2,943 1,944 1.1,945 3.435,946 200.199,947 0.1,948 20,949 104.042,954 14.364,955 5.442,956 2.328,957 1.192,958 151.775,959 5.434,960 12.903,964 0.225,965 1.774,966 75.581,967 353.479,968 34,980 38.094,981 42.326,983 0.349,984 0.801,985 0.913,986 0.958,987 0.958,988 0.958,989 4.812,990 1.342,991 5.753,992 3.533,993 4.344,994 4.916,995 0.908,996 6.629,997 4.234,998 6.045,999 1.035,1000 7.352,1001 3.509,1002 4.007,1003 4.856,1005 7.656,1006 3.858,1007 7.381,1008 0.683,1009 9.054,1010 2.565,1011 5.994,1012 7.227,1013 0.739,1014 10.82,1015 5.802,1016 8.759,1017 0.618,1018 10.818,1019 1.743,1020 6.509,1021 8.038,1023 12.708,1024 6.278,1025 10.173,1026 0.103,1027 12.62,1028 1.372,1029 7.965,1030 9.89,1031 0.593,1032 15.401,1033 7.7,1034 11.613,1035 -0.292,1036 14.45,1037 0.227,1038 8.854,1039 11.1,1041 17.641,1042 8.551,1043 13.074,1044 -0.595,1045 16.3,1046 -0.683,1047 10.123,1048 12.756,1049 0.469,1050 20.188,1051 9.786,1052 3.347,1053 -0.795,1054 18.166,1055 -1.604,1056 11.177,1057 14.151,1059 22.576,1060 10.804,1061 2.843,1062 12.146,1063 20.044,1064 -2.197,1065 12.383,1066 15.733,1067 0.366,1068 25.08,1069 11.976,1070 2.651,1071 9.314,1072 21.932,1073 4.733,1074 13.512,1075 17.212,1077 27.529,1078 13.069,1079 2.324,1080 8.322,1081 23.828,1082 3.88,1083 14.702,1084 18.768,1085 0.283,1086 30.022,1087 14.225,1088 1.994,1089 7.318,1090 25.732,1091 3.243,1092 15.865,1093 20.285,1095 32.497,1096 15.353,1097 1.513,1098 5.689,1099 27.642,1100 3.086,1101 17.054,1102 21.834,1103 0.217,1104 34.989,1105 16.506,1106 1.414,1107 4.136,1108 29.558,1109 2.365,1110 18.235,1111 23.369,1113 37.476,1114 17.652,1115 4917,1116 9029,1117 17.512,1118 24.682,1119 39.656,1120 40.929,1121 41.079,1122 39.72,1123 39.736,1124 52.237,1125 1.72,1126 119.749,1127 37.361,1128 5.665,1129 5.399,1130 6.646,1131 5.395,1132 5.347,1133 7.733,1134 1.72,1135 19.683,1136 5.223,1137 10.157,1138 1.525,1139 1.574,1140 1.58,1141 1.528,1142 1.528,1143 2.009,1144 0.066,1145 4.606,1146 1.437,1147 4.14,1148 4.186,1149 4.122,1150 3.996,1151 8.201,1152 4.021,1153 3.854,1154 3.88,1155 3.813,1156 3.738,1157 6.465,1158 3.752,1159 3.725,1160 3.771,1161 3.621,1162 3.549,1163 5.254,1164 3.558,1165 3.269,1166 3.351,1167 3.216,1168 3.001,1169 4.876,1170 3.044,1171 3.035,1172 3.123,1173 2.959,1174 2.782,1175 4.615,1176 2.811,1177 2.931,1178 2.978,1179 2.804,1180 2.745,1181 4.562,1182 2.747,1183 2.866,1184 2.961,1185 2.737,1186 2.613,1187 4.345,1188 2.624,1189 2.79,1190 2.867,1191 2.554,1192 2.572,1193 3.704,1194 2.568,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.763,1201 0.182,1202 3.399,1203 0.033,1204 7.05,1205 0.467,1206 4.31,1207 0.124,1208 3.347,1209 4.733,1210 0.86,1211 12.146,1212 3.223,1213 1.922,1214 1.903,1215 1.985,1216 2.034,1217 1.241,1218 2.014,1219 1.784,1220 1.74,1221 1.887,1222 1.971,1223 1.107,1224 1.948,1225 1.584,1226 1.527,1227 1.752,1228 1.779,1229 0.862,1230 1.774,1231 1.317,1232 1.264,1233 1.585,1234 1.619,1235 0.78,1236 1.609,1237 1.111,1238 1.062,1239 1.236,1240 1.37,1241 0.251,1242 1.339,1243 0.883,1244 0.839,1245 1.152,1246 1.231,1247 0.142,1248 1.208,1249 0.864,1250 0.769,1251 1.114,1252 1.133,1253 0.084,1254 1.13,1255 0.749,1256 0.662,1257 0.974,1258 1.049,1260 1.034,1261 3.97,1263 5.323,1264 3.045,1265 6.872,1266 5.352,1267 8.515,1268 7.455,1269 10.209,1273 13.317,1275 6.002,1276 9.629,1277 2.044,1279 5.415,1281 0.064,1289 24.554,1290 67.234,1291 154.343,1292 175.995,1293 184.75,1294 184.75,1295 184.75,1296 40.674,1297 7.274,1298 99.08,1299 99.08,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.543,1305 66,1306 69,1307 0.24,1308 147.752,1309 246.09,1310 352.276,1311 12138,1312 2.7,1313 15.974,1314 0.695,1315 0.526,1316 15.104,1317 12.108,1318 11.148,1319 0.429,1320 0.277,1321 7.044,1322 10.514,1323 6.975,1324 5.687,1325 10.737,1326 7.202,1327 10.285,1328 0.271,1329 0.143,1330 9.789,1331 5.434,1332 9.187,1333 0.17,1334 0.074,1335 8.525,1336 3.989,1337 7.78,1338 0.104,1339 0.038,1340 7.672,1341 2.827,1342 6.179,1343 0.064,1344 0.018,1345 5.979,1346 1.746,1347 0.357,1348 71.473,1349 0.239,1350 21.849,1351 0.724,1352 128,1353 461.889,1354 146.249,1355 415.57,1356 562.73,1357 388,1358 156,1359 416.293,1360 175.687,1361 411.151,1362 609.98,1363 387,1364 6.055}
{0 CHEMBL1242749,1 1.817,2 7.87,3 1.417,4 2.007,5 82.917,6 8.523,7 0.615,8 3.781,9 3.892,10 3.45,11 3.255,12 5.013,13 3.293,14 4.3,15 4.448,16 3.845,17 3.656,18 5.509,19 3.685,20 4.517,21 4.707,22 3.896,23 3.73,24 5.823,25 3.737,26 4.514,27 4.73,28 3.855,29 3.706,30 5.736,31 3.709,32 4.435,33 4.625,34 3.771,35 3.7,36 5.597,37 3.688,38 4.42,39 4.601,40 3.746,41 3.671,42 5.647,43 3.652,44 4.511,45 4.737,46 3.611,47 3.562,48 5.778,49 3.506,50 4.376,51 4.649,52 3.158,53 3.215,54 5.602,55 3.117,56 0.176,57 0.67,58 6.121,59 3.017,60 18.119,61 3.368,62 0.389,63 1.059,64 12.264,65 5.089,66 30.778,67 5.887,68 0.662,69 1.224,70 17.688,71 5.893,72 66.713,73 7.479,74 0.63,75 1.193,76 18.612,77 5.753,78 60.265,79 7.472,80 0.479,81 1.08,82 15.192,83 5.158,84 39.692,85 6.755,86 0.441,87 1.089,88 14.42,89 5.448,90 39.963,91 7,92 0.678,93 1.038,94 19.345,95 6.194,96 66.726,97 8.508,98 0.732,99 0.803,100 21.041,101 5.849,102 87.191,103 8.12,104 10,105 38,106 0.325,107 0.747,108 0.852,109 0.894,110 0.894,111 0.894,112 3.19,113 0.831,114 -4.01,115 -3.96,116 -3.75,118 40.5,120 1,124 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 7,172 1,173 1,175 2,178 3,180 1,181 2,182 4,186 2,188 3,191 3,192 6,194 3,195 3,197 2,199 2,201 1,203 1,204 6,206 1,208 3,211 1,213 2,215 4,218 1,220 2,223 2,225 2,227 1,228 2,230 1,231 3,232 1,234 1,235 1,240 1,245 1,255 1,264 674,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.702,271 14.573,272 9.039,273 16.104,274 12.821,275 12.821,276 12.821,277 12.821,278 12.821,279 9.901,280 12.629,281 4.272,282 13.611,283 3.392,284 1.038,285 0.453,286 0.216,287 0.216,288 0.216,289 3.884,292 1,293 1,294 1,295 398,296 2.121,299 92.649,300 116.507,303 82.153,307 1.115,308 33.532,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52,320 181,321 4.763,322 3.399,323 7.05,324 4.31,325 3.347,326 4.733,327 0.86,328 12.146,329 3.223,330 4.218,331 3.167,332 6.261,333 3.799,334 2.843,335 3.88,337 9.314,338 2.713,339 3.878,340 2.864,341 5.971,342 3.601,343 2.651,344 3.243,346 8.322,347 2.512,348 3.68,349 2.456,350 5.68,351 3.272,352 2.324,353 3.086,355 7.318,356 2.189,357 3.239,358 2.271,359 5.078,360 2.92,361 1.994,362 2.365,364 5.689,365 1.842,366 2.996,367 1.87,368 4.469,369 2.448,370 1.513,371 2.231,373 4.136,374 1.411,375 2.82,376 1.688,377 4.235,378 2.365,379 1.414,380 1.948,382 3.533,383 1.333,384 2.638,385 1.529,386 4.038,387 2.253,388 1.342,389 1.684,391 3.509,392 1.217,393 2.442,394 1.09,395 3.662,396 1.963,397 1.035,398 1.423,400 2.565,401 0.956,402 1.857,403 0.939,404 3.249,405 1.618,406 0.683,407 0.784,409 1.743,410 0.632,411 1.618,412 0.869,413 3,414 1.538,415 0.618,416 0.618,417 1.372,418 0.563,419 1.371,420 0.579,421 2.736,422 0.989,423 0.103,424 0.124,425 0.227,426 0.089,427 1.057,428 -0.139,429 2.462,430 0.618,431 -0.292,432 -0.371,433 -0.683,434 -0.265,435 0.781,436 -0.286,437 2.375,438 0.353,439 -0.595,440 -0.769,441 -1.604,442 -0.555,443 0.626,444 -0.628,445 2.333,446 0.129,447 -0.795,448 -1.041,449 -2.197,450 -0.727,451 10.452,452 0.454,453 0.61,454 0.027,455 31,456 1.348,457 15,458 0.652,459 16,460 0.696,461 16.527,462 0.719,463 24.948,464 0.674,465 22.565,466 0.981,467 6.148,468 0.267,469 5,470 0.217,471 0.097,473 0.421,477 1,478 0.809,479 1.11,480 0.677,481 1.013,482 0.761,483 0.846,484 0.904,485 1.042,486 0.77,487 0.974,488 0.623,489 0.868,490 0.896,491 1.156,492 0.907,493 1.004,494 0.733,495 0.966,496 0.89,497 0.883,498 0.904,499 0.815,500 0.908,501 0.836,502 0.761,503 0.917,504 1.014,505 0.997,506 0.565,507 1.04,508 0.744,509 1.065,510 1.047,511 1.264,512 0.717,513 1.243,514 0.717,515 0.935,516 1.061,517 1.194,518 0.769,519 1.232,520 1.034,521 0.675,522 1.054,523 0.959,524 1.017,525 1.025,526 4,527 0.02,528 3.111,529 1.819,530 1.647,531 0.796,532 0.551,533 0.398,534 0.172,535 0.087,536 5148,537 16947,538 2.141,539 37.8,541 8,543 1,544 3,547 2,549 1.666,550 2,551 2.981,552 1.118,553 1,554 1,556 1,558 67.234,559 1.817,560 4.171,561 4.757,562 4.993,563 4.993,564 4.993,565 2.426,566 3.882,567 4.495,568 3.09,569 781.869,570 7.783,571 8530.29,572 1,573 1,575 1,576 192.75,577 1.422,578 4.454,579 0.154,580 0.01,581 0.082,582 0.048,583 0.045,584 0.023,585 0.017,586 0.016,587 0.012,588 0.012,589 0.419,590 0.5,591 1,592 0.58,593 104.348,594 -0.102,595 -0.061,596 0.02,597 0.012,598 -0.111,599 0.047,600 -0.091,601 -0.052,602 0.031,603 0.023,605 0.049,606 0.001,607 -0.162,608 0.002,609 -0.041,610 0.119,611 -0.026,612 -0.047,613 0.115,614 0.03,615 0.113,616 -0.073,617 0.102,618 -0.091,619 -0.028,620 -0.173,621 -0.064,622 -0.034,623 -0.114,624 -0.027,625 -0.126,626 -0.207,627 -0.298,628 -0.041,629 -0.302,630 0.159,631 -0.081,632 -0.063,633 -0.241,634 0.075,635 -0.233,636 0.08,637 0.101,638 0.131,639 0.023,640 0.102,641 0.067,642 2.356,643 5.317,644 0.87,645 16.378,646 1.03,647 1.144,648 2.781,649 7.734,650 0.667,651 3.296,652 3.664,653 4.007,654 4.331,655 4.575,656 4.754,657 4.913,658 5.056,659 5.075,660 5.004,661 4.871,662 0.664,663 315.34,664 3.296,665 4.86,666 5.746,667 6.655,668 7.565,669 8.484,670 9.403,671 10.327,672 11.25,673 12.177,674 13.5,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 37,718 16,719 1,720 26,722 40,723 15,724 11,725 3,726 3,728 4,729 5,735 2,738 2,740 11,741 4,756 1,757 1,758 1,760 14,761 7,762 3,763 8,769 5,775 0.75,776 2,781 1,785 1,788 1,793 2,794 2,797 1,818 1,819 3,825 1,827 23,828 1,832 1,833 3,835 1,837 1,849 1,850 5.4,852 1,854 1,858 11.5,859 6.56,860 4.944,861 2.116,863 3.077,864 1.423,865 0.997,866 3.399,867 10.352,868 3.555,869 4.23,870 4.912,871 5.581,872 6.169,873 6.598,874 7.058,875 7.518,876 7.792,877 8.05,878 1,879 38,880 8.513,881 3.817,882 8.022,883 15.802,884 13.349,885 2.522,886 58,890 129.482,891 70.446,892 84.908,894 53.683,895 14.96,897 70.446,898 183.165,899 99.868,901 11.719,902 61.326,903 117.404,904 28.031,905 17.288,906 117.711,908 129.482,909 155.354,910 68.643,913 120.9,914 66.226,915 11,917 26.587,918 78.533,919 50.234,921 144.442,922 138.591,923 70.446,926 129.482,927 33.399,928 38.824,930 151.775,931 129.482,932 153.551,933 70.446,935 0.592,936 0.36,937 0.199,938 0.109,939 21,940 9,941 0.05,942 2,943 1,944 1.1,945 3.435,946 200.199,947 0.1,948 20,949 104.042,954 14.364,955 5.442,956 2.328,957 1.192,958 151.775,959 5.434,960 12.903,964 0.225,965 1.774,966 75.581,967 353.479,968 34,980 38.094,981 42.326,983 0.349,984 0.801,985 0.913,986 0.958,987 0.958,988 0.958,989 4.812,990 1.342,991 5.753,992 3.533,993 4.344,994 4.916,995 0.908,996 6.629,997 4.234,998 6.045,999 1.035,1000 7.352,1001 3.509,1002 4.007,1003 4.856,1005 7.656,1006 3.858,1007 7.381,1008 0.683,1009 9.054,1010 2.565,1011 5.994,1012 7.227,1013 0.739,1014 10.82,1015 5.802,1016 8.759,1017 0.618,1018 10.818,1019 1.743,1020 6.509,1021 8.038,1023 12.708,1024 6.278,1025 10.173,1026 0.103,1027 12.62,1028 1.372,1029 7.965,1030 9.89,1031 0.593,1032 15.401,1033 7.7,1034 11.613,1035 -0.292,1036 14.45,1037 0.227,1038 8.854,1039 11.1,1041 17.641,1042 8.551,1043 13.074,1044 -0.595,1045 16.3,1046 -0.683,1047 10.123,1048 12.756,1049 0.469,1050 20.188,1051 9.786,1052 3.347,1053 -0.795,1054 18.166,1055 -1.604,1056 11.177,1057 14.151,1059 22.576,1060 10.804,1061 2.843,1062 12.146,1063 20.044,1064 -2.197,1065 12.383,1066 15.733,1067 0.366,1068 25.08,1069 11.976,1070 2.651,1071 9.314,1072 21.932,1073 4.733,1074 13.512,1075 17.212,1077 27.529,1078 13.069,1079 2.324,1080 8.322,1081 23.828,1082 3.88,1083 14.702,1084 18.768,1085 0.283,1086 30.022,1087 14.225,1088 1.994,1089 7.318,1090 25.732,1091 3.243,1092 15.865,1093 20.285,1095 32.497,1096 15.353,1097 1.513,1098 5.689,1099 27.642,1100 3.086,1101 17.054,1102 21.834,1103 0.217,1104 34.989,1105 16.506,1106 1.414,1107 4.136,1108 29.558,1109 2.365,1110 18.235,1111 23.369,1113 37.476,1114 17.652,1115 4917,1116 9029,1117 17.512,1118 24.682,1119 39.656,1120 40.929,1121 41.079,1122 39.72,1123 39.736,1124 52.237,1125 1.72,1126 119.749,1127 37.361,1128 5.665,1129 5.399,1130 6.646,1131 5.395,1132 5.347,1133 7.733,1134 1.72,1135 19.683,1136 5.223,1137 10.157,1138 1.525,1139 1.574,1140 1.58,1141 1.528,1142 1.528,1143 2.009,1144 0.066,1145 4.606,1146 1.437,1147 4.14,1148 4.186,1149 4.122,1150 3.996,1151 8.201,1152 4.021,1153 3.854,1154 3.88,1155 3.813,1156 3.738,1157 6.465,1158 3.752,1159 3.725,1160 3.771,1161 3.621,1162 3.549,1163 5.254,1164 3.558,1165 3.269,1166 3.351,1167 3.216,1168 3.001,1169 4.876,1170 3.044,1171 3.035,1172 3.123,1173 2.959,1174 2.782,1175 4.615,1176 2.811,1177 2.931,1178 2.978,1179 2.804,1180 2.745,1181 4.562,1182 2.747,1183 2.866,1184 2.961,1185 2.737,1186 2.613,1187 4.345,1188 2.624,1189 2.79,1190 2.867,1191 2.554,1192 2.572,1193 3.704,1194 2.568,1195 0.183,1196 0.131,1197 0.271,1198 0.166,1199 0.129,1200 4.763,1201 0.182,1202 3.399,1203 0.033,1204 7.05,1205 0.467,1206 4.31,1207 0.124,1208 3.347,1209 4.733,1210 0.86,1211 12.146,1212 3.223,1213 1.922,1214 1.903,1215 1.985,1216 2.034,1217 1.241,1218 2.014,1219 1.784,1220 1.74,1221 1.887,1222 1.971,1223 1.107,1224 1.948,1225 1.584,1226 1.527,1227 1.752,1228 1.779,1229 0.862,1230 1.774,1231 1.317,1232 1.264,1233 1.585,1234 1.619,1235 0.78,1236 1.609,1237 1.111,1238 1.062,1239 1.236,1240 1.37,1241 0.251,1242 1.339,1243 0.883,1244 0.839,1245 1.152,1246 1.231,1247 0.142,1248 1.208,1249 0.864,1250 0.769,1251 1.114,1252 1.133,1253 0.084,1254 1.13,1255 0.749,1256 0.662,1257 0.974,1258 1.049,1260 1.034,1261 3.97,1263 5.323,1264 3.045,1265 6.872,1266 5.352,1267 8.515,1268 7.455,1269 10.209,1273 13.317,1275 6.002,1276 9.629,1277 2.044,1279 5.415,1281 0.064,1289 24.554,1290 67.234,1291 154.343,1292 175.995,1293 184.75,1294 184.75,1295 184.75,1296 40.674,1297 7.274,1298 99.08,1299 99.08,1300 22,1301 12.682,1302 4.087,1303 3.17,1304 31.543,1305 66,1306 69,1307 0.24,1308 147.752,1309 246.09,1310 352.276,1311 12138,1312 2.7,1313 15.974,1314 0.695,1315 0.526,1316 15.104,1317 12.108,1318 11.148,1319 0.429,1320 0.277,1321 7.044,1322 10.514,1323 6.975,1324 5.687,1325 10.737,1326 7.202,1327 10.285,1328 0.271,1329 0.143,1330 9.789,1331 5.434,1332 9.187,1333 0.17,1334 0.074,1335 8.525,1336 3.989,1337 7.78,1338 0.104,1339 0.038,1340 7.672,1341 2.827,1342 6.179,1343 0.064,1344 0.018,1345 5.979,1346 1.746,1347 0.357,1348 71.473,1349 0.239,1350 21.849,1351 0.724,1352 128,1353 461.889,1354 146.249,1355 415.57,1356 562.73,1357 388,1358 156,1359 416.293,1360 175.687,1361 411.151,1362 609.98,1363 387,1364 6.214}
{0 CHEMBL1242750,1 1.645,2 8.48,3 3.952,4 15.621,5 94.922,6 7.587,7 0.571,8 3.929,9 4.058,10 3.507,11 3.443,12 5.061,13 3.436,14 4.475,15 4.653,16 3.892,17 3.864,18 5.556,19 3.831,20 4.81,21 5.04,22 4.04,23 4.035,24 5.932,25 3.983,26 4.883,27 5.138,28 3.938,29 4.011,30 5.893,31 3.933,32 4.765,33 5.028,34 3.863,35 3.928,36 5.744,37 3.864,38 4.63,39 4.825,40 3.891,41 3.925,42 5.778,43 3.876,44 4.726,45 4.956,46 3.764,47 3.902,48 5.861,49 3.804,50 4.695,51 4.963,52 3.506,53 3.724,54 5.82,55 3.588,56 0.095,57 0.781,58 9.172,59 3.967,60 13.203,61 5.163,62 0.184,63 1.261,64 17.26,65 6.966,66 22.866,67 9.456,68 0.468,69 1.578,70 27.28,71 9.101,72 69.522,73 13.091,74 0.536,75 1.591,76 30.386,77 9.284,78 62,79 13.659,80 0.467,81 1.382,82 27.116,83 7.543,84 48.178,85 11.837,86 0.362,87 1.383,88 20.959,89 6.87,90 39.667,91 9.935,92 0.483,93 1.391,94 24.843,95 8.292,96 59.563,97 11.999,98 0.54,99 1.244,100 26.276,101 8.303,102 82.719,103 12.151,104 10,105 40,106 0.283,107 0.638,108 0.717,109 0.793,110 0.823,111 0.823,112 3.269,113 0.924,114 -5.49,115 -5.37,116 -5.01,118 40,120 6,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 8,170 2,171 7,172 1,173 1,175 2,178 8,180 1,181 1,182 7,186 2,188 8,191 2,192 11,194 3,195 3,197 2,199 3,201 1,204 9,206 1,208 3,211 4,213 2,215 6,218 1,220 3,223 8,225 3,228 2,231 2,232 1,233 2,234 1,235 8,237 2,240 2,245 4,247 6,249 2,257 2,260 2,264 832,265 17.052,266 17.052,267 17.052,268 17.052,269 17.052,270 15.116,271 12.029,272 10.039,273 17.382,274 13.821,275 13.821,276 13.821,277 13.821,278 13.821,279 10.901,280 8.729,281 4.772,282 14.416,283 3.847,284 1.786,285 1.328,286 0.889,287 0.711,288 0.711,289 3.967,292 1,293 1,294 1,295 462,296 2.121,299 46.238,300 126.478,301 74.418,303 89.35,307 1.299,308 30.987,310 1,311 0.75,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.86,319 55,320 212,321 4.763,322 3.393,323 7.05,324 4.309,325 3.346,326 4.733,328 12.145,329 3.224,330 4.218,331 3.165,332 6.259,333 3.798,334 2.841,335 3.88,337 9.31,338 2.716,339 3.87,340 2.778,341 5.97,342 3.597,343 2.637,344 3.24,346 8.319,347 2.525,348 3.68,349 2.452,350 5.68,351 3.272,352 2.324,353 3.085,355 7.316,356 2.19,357 3.22,358 2.036,359 5.069,360 2.956,361 1.995,362 2.342,364 5.653,365 1.914,366 2.996,367 1.868,368 4.469,369 2.562,370 1.591,371 2.23,373 4.136,374 1.542,375 2.82,376 1.633,377 4.223,378 2.446,379 1.507,380 1.948,382 3.644,383 1.41,384 2.723,385 1.529,386 4.038,387 2.365,388 1.414,389 1.76,391 3.512,392 1.333,393 2.51,394 1.247,395 3.713,396 2.247,397 1.247,398 1.514,400 2.899,401 1.247,402 2.247,403 1.102,404 3.558,405 2.039,406 1.084,407 1.247,409 2.606,410 1.032,411 2.213,412 0.991,413 3.414,414 1.868,415 0.92,416 1.152,417 2.343,418 0.868,419 1.372,420 0.583,421 2.736,422 0.991,423 0.105,424 0.126,425 0.23,426 0.09,427 1.083,428 -0.057,429 2.613,430 0.816,431 -0.153,432 -0.167,433 -0.352,434 -0.147,435 0.863,436 -0.231,437 2.39,438 0.586,439 -0.339,440 -0.417,441 -0.773,442 -0.315,443 0.776,444 -0.305,445 2.374,446 0.555,447 -0.445,448 -0.445,449 -1,450 -0.445,451 11.619,452 0.465,453 0.61,454 0.024,455 31.5,456 1.26,457 15,458 0.6,459 16.5,460 0.66,461 21.813,462 0.873,463 27.381,464 0.608,465 22.372,466 0.895,467 5.651,468 0.226,469 6.497,470 0.26,471 0.088,473 0.379,477 1,478 0.743,479 1.111,480 0.766,481 1.028,482 0.718,483 0.926,484 0.599,485 1.118,486 0.783,487 1.134,488 0.497,489 1.026,490 0.721,491 1.07,492 0.779,493 0.974,494 0.579,495 0.902,496 0.841,497 0.944,498 0.967,499 0.979,500 0.729,501 0.99,502 0.761,503 0.759,504 0.85,505 0.713,506 0.494,507 0.758,508 0.826,509 1.05,510 1.111,511 1.146,512 0.748,513 1.164,514 0.714,515 0.996,516 1.115,517 1.204,518 0.773,519 1.234,520 0.814,521 0.858,522 1.054,523 1.119,524 0.922,525 1.144,526 4,527 0.058,528 3.111,529 2.042,530 1.682,531 0.876,532 0.662,533 0.432,534 0.226,535 0.107,536 6440,537 17311,538 2.13,539 44.4,540 8,541 4,543 1,544 3,546 4,549 1.688,550 2,551 3.089,552 1.005,554 1,558 74.027,559 1.645,560 3.706,561 4.164,562 4.603,563 4.781,564 4.781,565 2.539,566 4.084,567 4.614,568 3.206,569 961.805,570 8.024,571 11161.7,573 1,575 1,576 247.133,577 1.388,578 4.579,579 0.143,580 0.01,581 0.078,582 0.045,583 0.043,584 0.023,585 0.017,586 0.014,587 0.01,588 0.01,589 0.393,590 0.33,591 0.88,592 0.553,593 117.285,594 -0.047,595 -0.011,596 0.031,597 0.051,598 -0.057,599 0.054,600 0.067,601 -0.092,602 0.065,603 -0.089,604 0.086,605 -0.032,606 0.107,607 -0.112,608 0.161,609 0.021,610 0.189,611 0.089,612 -0.007,613 -0.016,614 -0.002,615 -0.039,616 0.004,617 -0.026,618 -0.062,619 0.069,620 0.103,621 0.198,622 0.016,623 0.2,624 -0.055,625 -0.043,626 -0.233,627 -0.18,628 -0.059,629 -0.227,630 0.093,631 -0.061,632 -0.185,633 -0.228,634 0.027,635 -0.26,636 0.124,637 0.013,638 -0.053,639 -0.146,640 0.077,641 -0.144,642 2.333,643 5.424,644 0.88,645 18.931,646 1.009,647 1.141,648 4.262,649 18.162,650 0.656,651 3.367,652 3.714,653 4.043,654 4.357,655 4.644,656 4.828,657 4.956,658 5.118,659 5.17,660 5.176,661 5.227,662 0.632,663 341.43,664 3.367,665 4.92,666 5.796,667 6.696,668 7.597,669 8.51,670 9.423,671 10.343,672 11.263,673 12.186,674 11.1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 45,718 16,719 1,720 28,722 48,723 18,724 11,725 3,726 3,728 4,729 5,735 7,738 7,740 11,741 7,757 1,758 1,760 20,761 6,762 3,763 7,769 5,775 0.75,776 1,785 1,788 1,793 1,794 2,795 1,797 1,819 3,825 1,827 25,828 1,832 1,833 6,837 1,849 1,850 2.2,852 1,858 12.5,859 7.893,860 5.444,861 2.949,863 3.048,864 1.407,865 0.991,866 4.301,867 10.531,868 3.611,869 4.259,870 4.926,871 5.589,872 6.183,873 6.61,874 7.065,875 7.528,876 7.81,877 8.084,878 0.833,879 45,880 9.293,881 4.115,882 7.86,883 17.717,884 15.142,885 2.36,886 59,889 1,890 200.109,891 73.934,892 84.908,894 42.683,895 14.96,897 73.934,898 242.792,899 99.868,901 15.207,902 61.326,903 106.404,904 28.031,905 17.288,906 188.338,908 200.109,909 158.842,910 57.643,913 167.984,914 89.768,917 30.074,918 78.533,919 50.234,921 215.069,922 127.591,923 73.934,926 200.109,927 36.887,928 38.824,930 140.775,931 200.109,932 142.551,933 73.934,935 0.585,936 0.351,937 0.194,938 0.114,939 21,940 9,941 0.042,942 2,943 1,944 1.091,945 3.588,946 222.53,947 0.091,948 22,949 110.096,954 16.283,955 6.604,956 2.954,957 1.343,958 140.775,959 5.612,960 13.251,964 0.43,965 1.939,966 75.581,967 416.594,968 36,980 45.418,981 51.362,983 0.3,984 0.675,985 0.758,986 0.838,987 0.871,988 0.871,989 4.86,990 1.414,991 5.79,992 3.644,993 4.394,994 4.945,996 6.65,997 4.311,998 6.078,999 1.247,1000 7.377,1001 3.512,1002 4.007,1003 4.856,1005 7.656,1006 3.858,1007 7.404,1008 1.084,1009 9.071,1010 2.899,1011 6.023,1012 7.236,1014 10.823,1015 5.863,1016 8.774,1017 0.92,1018 10.828,1019 2.606,1020 6.494,1021 8.035,1023 12.706,1024 6.27,1025 10.181,1026 0.105,1027 12.626,1028 2.343,1029 7.975,1030 9.892,1032 15.401,1033 7.737,1034 11.617,1035 -0.153,1036 14.453,1037 0.23,1038 8.842,1039 11.099,1041 17.64,1042 8.55,1043 13.075,1044 -0.339,1045 16.301,1046 -0.352,1047 10.122,1048 12.756,1050 20.188,1051 9.807,1052 3.346,1053 -0.445,1054 18.166,1055 -0.773,1056 11.168,1057 14.15,1059 22.575,1060 10.808,1061 2.841,1062 12.145,1063 20.043,1064 -1,1065 12.378,1066 15.733,1068 25.079,1069 11.989,1070 2.637,1071 9.31,1072 21.931,1073 4.733,1074 13.504,1075 17.211,1077 27.528,1078 13.075,1079 2.324,1080 8.319,1081 23.827,1082 3.88,1083 14.695,1084 18.768,1086 30.021,1087 14.233,1088 1.995,1089 7.316,1090 25.731,1091 3.24,1092 15.858,1093 20.285,1095 32.497,1096 15.358,1097 1.591,1098 5.653,1099 27.641,1100 3.085,1101 17.047,1102 21.834,1104 34.989,1105 16.513,1106 1.507,1107 4.136,1108 29.557,1109 2.342,1110 18.229,1111 23.369,1113 37.475,1114 17.658,1115 6161,1116 10307,1117 18.898,1118 29.512,1119 42.407,1120 42.833,1121 44.028,1122 42.013,1123 42.02,1124 54.514,1126 124.228,1127 40.184,1128 5.689,1129 5.393,1130 6.843,1131 5.384,1132 5.346,1133 7.733,1135 19.681,1136 5.224,1137 10.804,1138 1.515,1139 1.53,1140 1.572,1141 1.5,1142 1.501,1143 1.947,1145 4.437,1146 1.435,1147 4.142,1148 4.189,1149 4.122,1150 4.001,1151 8.201,1152 4.024,1153 3.862,1154 3.898,1155 3.812,1156 3.761,1157 6.465,1158 3.763,1159 3.792,1160 3.842,1161 3.669,1162 3.667,1163 5.254,1164 3.665,1165 3.378,1166 3.464,1167 3.286,1168 3.164,1169 4.867,1170 3.171,1171 3.278,1172 3.364,1173 3.062,1174 3.125,1175 4.572,1176 3.097,1177 3.153,1178 3.217,1179 3.057,1180 2.968,1181 4.39,1182 2.991,1183 2.993,1184 3.108,1185 2.851,1186 2.746,1187 4.189,1188 2.749,1189 2.93,1190 2.97,1191 2.803,1192 2.68,1193 3.712,1194 2.716,1195 0.17,1196 0.121,1197 0.252,1198 0.154,1199 0.12,1200 4.763,1201 0.169,1202 3.393,1204 7.05,1205 0.434,1206 4.309,1207 0.115,1208 3.346,1209 4.733,1211 12.145,1212 3.224,1213 1.923,1214 1.903,1215 1.989,1216 2.041,1217 1.356,1218 2.021,1219 1.814,1220 1.765,1221 1.975,1222 1.99,1223 1.336,1224 1.981,1225 1.712,1226 1.647,1227 1.971,1228 1.873,1229 1.108,1230 1.912,1231 1.665,1232 1.616,1233 1.779,1234 1.838,1235 0.85,1236 1.834,1237 1.192,1238 1.131,1239 1.325,1240 1.472,1241 0.535,1242 1.434,1243 0.93,1244 0.858,1245 1.253,1246 1.231,1247 0.528,1248 1.21,1249 0.883,1250 0.838,1251 1.165,1252 1.153,1253 0.224,1254 1.153,1255 0.819,1256 0.708,1257 1.151,1258 1.12,1259 0.13,1260 1.147,1261 4.043,1263 5.38,1264 2.398,1265 6.913,1266 4.949,1267 8.543,1268 7.195,1269 10.227,1273 13.424,1275 6.095,1276 9.723,1277 6.916,1281 0.266,1289 28.42,1290 74.027,1291 166.763,1292 187.359,1293 207.133,1294 215.133,1295 215.133,1296 46.338,1297 7.484,1298 89.85,1299 89.85,1300 24,1301 12.694,1302 4.087,1303 3.17,1304 35.569,1305 78,1306 79,1307 0.23,1308 172.533,1309 289.2,1310 412.741,1311 16327,1312 2.2,1313 17.389,1314 0.696,1315 0.553,1316 16.518,1317 13.821,1318 12.148,1319 0.434,1320 0.308,1321 8.506,1322 11.655,1323 8.398,1324 6.93,1325 11.737,1326 8.625,1327 10.992,1328 0.275,1329 0.164,1330 10.496,1331 6.562,1332 9.687,1333 0.173,1334 0.088,1335 9.025,1336 4.908,1337 8.134,1338 0.106,1339 0.047,1340 8.025,1341 3.614,1342 6.917,1343 0.067,1344 0.026,1345 6.717,1346 2.649,1347 0.345,1348 76.473,1349 0.23,1350 23.572,1351 0.687,1352 136,1353 426.153,1354 151.371,1355 390.731,1356 534.81,1357 364,1358 164,1359 404.657,1360 180.642,1361 401.339,1362 594.22,1363 379,1364 6.595}
{0 CHEMBL1242751,1 1.623,2 7.304,3 2.393,4 5.728,5 89.489,6 7.462,7 0.64,8 3.853,9 3.979,10 3.423,11 3.302,12 5.013,13 3.31,14 4.363,15 4.551,16 3.776,17 3.653,18 5.431,19 3.658,20 4.478,21 4.654,22 3.923,23 3.795,24 5.6,25 3.799,26 4.639,27 4.832,28 3.974,29 3.894,30 5.777,31 3.876,32 4.704,33 4.899,34 3.849,35 3.926,36 5.744,37 3.871,38 4.691,39 4.904,40 3.804,41 3.884,42 5.763,43 3.803,44 4.759,45 5.032,46 3.559,47 3.747,48 5.754,49 3.633,50 4.553,51 4.832,52 3.045,53 3.475,54 5.441,55 3.315,56 0.074,57 0.645,58 8.791,59 3.433,60 10,61 4.65,62 0.319,63 0.962,64 16.998,65 5.361,66 24.612,67 7.485,68 0.32,69 1.127,70 18.242,71 5.679,72 20.306,73 8.302,74 0.42,75 1.263,76 22.096,77 7.015,78 34.779,79 9.987,80 0.487,81 1.282,82 24.017,83 7.392,84 34.057,85 10.604,86 0.393,87 1.256,88 23.503,89 7.712,90 35.834,91 11.609,92 0.587,93 1.155,94 28.145,95 7.425,96 56.39,97 11.769,98 0.491,99 0.855,100 23.705,101 6.407,102 44.723,103 9.631,104 35,105 36,106 0.285,107 0.642,108 0.763,109 0.791,110 0.8,111 0.825,112 3.19,113 0.874,114 -4.13,115 -4.08,116 -3.86,118 38.1,119 2,123 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 9,172 1,173 1,175 1,178 4,180 1,181 2,182 8,188 2,191 3,192 9,194 3,195 3,197 1,199 3,201 1,203 2,204 5,208 1,211 3,213 1,214 3,215 5,217 1,218 1,220 3,223 2,225 3,227 2,228 4,230 1,231 1,233 1,235 2,237 1,240 2,247 2,264 681,265 15.569,266 15.569,267 15.569,268 15.569,269 15.569,270 13.71,271 16.719,272 8.922,273 16.167,274 12.176,275 12.176,276 12.176,277 12.176,278 12.176,279 9.207,280 15.44,281 3.956,282 12.946,283 3.77,284 1.735,285 1.042,286 0.881,287 0.834,288 0.691,289 3.865,292 1,293 1,294 1,295 351,296 3,299 42.861,300 120.05,303 82.4,307 1.013,308 20.443,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 50.5,320 168,321 4.777,322 3.435,323 7.082,324 4.328,325 3.364,326 4.742,327 0.86,328 12.254,329 3.244,330 4.342,331 3.202,332 6.562,333 3.922,334 2.972,335 4.017,336 0.86,337 10.317,338 2.818,339 3.803,340 2.662,341 6.016,342 3.469,343 2.519,344 3.204,346 8.271,347 2.39,348 3.568,349 2.419,350 5.569,351 3.164,352 2.222,353 2.934,355 7.003,356 2.086,357 3.029,358 2.045,359 4.822,360 2.683,361 1.743,362 2.225,364 4.819,365 1.635,366 2.982,367 1.815,368 4.644,369 2.5,370 1.587,371 2.126,373 4.393,374 1.446,375 2.917,376 1.572,377 4.056,378 2.451,379 1.487,380 2.086,382 3.421,383 1.427,384 2.555,385 1.255,386 3.852,387 2.055,388 1.133,389 1.577,391 2.794,392 1.041,393 2.153,394 0.987,395 3.506,396 1.835,397 0.883,398 1.079,400 2.138,401 0.836,402 1.887,403 0.914,404 3.14,405 1.552,406 0.649,407 0.787,409 1.277,410 0.582,411 1.455,412 0.814,413 2.591,414 1.177,415 0.323,416 0.355,417 0.429,418 0.274,419 1.061,420 -0.003,421 2.49,422 0.635,423 -0.281,424 -0.354,425 -0.645,426 -0.257,427 0.853,428 -0.166,429 2.411,430 0.442,431 -0.495,432 -0.611,433 -0.987,434 -0.453,435 0.667,436 -0.452,437 2.262,438 0.277,439 -0.646,440 -0.82,441 -1.393,442 -0.593,443 0.584,444 -0.781,445 2.232,446 0.082,447 -0.85,448 -1,449 -2,450 -0.788,451 10.667,452 0.464,453 0.593,454 0.026,455 31,456 1.348,457 15.5,458 0.674,459 15.5,460 0.674,461 18.154,462 0.789,463 25.333,464 0.603,465 22.915,466 0.996,467 6.217,468 0.27,469 4.862,470 0.211,471 0.225,473 0.413,478 0.907,479 1.422,480 0.783,481 1.221,482 1.047,483 1.012,484 1.234,485 0.961,486 0.729,487 0.736,488 0.898,489 0.665,490 0.981,491 1.259,492 0.799,493 0.975,494 0.784,495 0.856,496 1.016,497 1.041,498 0.917,499 1.009,500 0.916,501 0.953,502 1.319,503 1.13,504 1.238,505 1.103,506 1.208,507 1.15,508 0.681,509 1.334,510 1.072,511 1.345,512 0.896,513 1.288,514 1.032,515 0.9,516 1.118,517 0.976,518 1.209,519 1.037,520 1.48,521 0.805,522 1.314,523 0.962,524 1.376,525 1.095,526 4,528 3.111,529 2.417,530 1.887,531 1.087,532 0.678,533 0.405,534 0.143,535 0.016,536 4456,537 12227,538 2.016,539 45.2,541 10,543 1,544 2,546 6,549 1.669,550 1.84,551 2.886,552 0.364,553 1,554 1,556 1,558 68.157,559 1.623,560 3.658,561 4.35,562 4.511,563 4.559,564 4.701,565 2.212,566 4.35,567 4.497,568 2.988,569 755.865,570 7.801,571 8308.38,572 1,573 1,575 1,576 226.477,577 1.538,578 4.428,579 0.16,581 0.086,582 0.059,583 0.045,584 0.03,585 0.021,586 0.017,587 0.011,588 0.005,589 0.434,590 0.33,591 1,592 1.059,593 103.719,594 -0.018,595 -0.176,596 0.065,597 -0.126,598 -0.141,599 -0.03,600 -0.064,601 0.123,602 0.229,603 0.268,604 0.05,605 0.289,606 0.037,607 -0.101,608 0.12,609 0.03,610 0.101,611 0.09,612 0.036,613 0.076,614 0.022,615 -0.024,616 0.107,617 -0.011,618 -0.199,619 -0.052,620 -0.294,621 -0.111,622 -0.246,623 -0.205,624 0.14,625 -0.276,626 -0.151,627 -0.337,628 0.061,629 -0.305,630 -0.021,631 0.024,632 -0.104,633 -0.063,634 -0.045,635 -0.086,636 -0.29,637 0.032,638 -0.27,639 -0.036,640 -0.251,641 -0.132,642 1.276,643 2.093,644 0.652,645 15.051,646 1.008,647 1.138,648 2.905,649 8.439,650 0.649,651 3.258,652 3.611,653 3.97,654 4.304,655 4.543,656 4.673,657 4.779,658 4.836,659 4.754,660 4.691,661 4.683,662 0.624,663 313.4,664 3.258,665 4.812,666 5.7,667 6.616,668 7.53,669 8.455,670 9.377,671 10.306,672 11.232,673 12.162,674 11.9,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 42,718 16,719 1,720 25,722 44,723 16,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 5,756 1,757 1,760 19,761 6,762 2,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,823 4,827 23,828 1,835 2,837 1,850 4.8,855 2,858 12.5,859 8.883,860 5.222,861 2.371,863 3.22,864 1.457,865 0.961,866 4.199,867 10.273,868 3.526,869 4.201,870 4.915,871 5.6,872 6.176,873 6.588,874 7.029,875 7.441,876 7.676,877 7.97,878 0.8,879 41,880 8.43,881 3.488,882 7.717,883 15.953,884 12.618,885 2.217,886 51,889 1,890 200.109,891 99.509,892 84.908,894 22,897 99.509,898 222.109,899 84.908,900 39.417,902 61.326,903 63.72,904 51.397,905 2.328,906 188.338,908 200.109,909 184.417,910 22,913 129.482,914 92.626,917 32.518,918 101.665,919 50.234,921 200.109,922 106.908,923 99.509,926 200.109,927 23.045,928 78.24,930 105.131,931 200.109,932 106.908,933 99.509,935 0.58,936 0.37,937 0.219,938 0.121,939 18,940 9,941 0.091,942 4,943 1,944 1.133,945 3.26,946 195.368,947 0.133,948 15,949 102.042,954 15.716,955 6.144,956 2.539,957 1.417,958 105.131,959 7.089,960 13.153,964 3.1,965 1.835,966 32.897,967 406.526,968 33,980 42.349,981 47.817,983 0.301,984 0.678,985 0.807,986 0.837,987 0.845,988 0.872,989 4.771,990 1.133,991 5.714,992 3.421,993 4.29,994 4.887,995 1.376,996 6.619,997 4.182,998 6.014,999 0.883,1000 7.334,1001 2.794,1002 4.007,1003 4.856,1005 7.732,1006 3.871,1007 7.358,1008 0.649,1009 9.058,1010 2.138,1011 5.964,1012 7.228,1013 1.159,1014 10.894,1015 5.771,1016 8.747,1017 0.323,1018 10.844,1019 1.277,1020 6.524,1021 8.065,1023 12.837,1024 6.299,1025 10.173,1026 -0.281,1027 12.668,1028 0.429,1029 7.972,1030 9.918,1031 0.963,1032 15.535,1033 7.706,1034 11.626,1035 -0.495,1036 14.518,1037 -0.645,1038 8.897,1039 11.146,1041 17.801,1042 8.596,1043 13.099,1044 -0.646,1045 16.386,1046 -0.987,1047 10.167,1048 12.802,1049 0.787,1050 20.353,1051 9.831,1052 3.364,1053 -0.85,1054 18.268,1055 -1.393,1056 11.247,1057 14.207,1059 22.751,1060 10.875,1061 2.972,1062 12.254,1063 20.161,1064 -2,1065 12.458,1066 15.788,1067 0.634,1068 25.257,1069 12.052,1070 2.519,1071 10.317,1072 22.062,1073 4.742,1074 13.603,1075 17.271,1077 27.709,1078 13.161,1079 2.222,1080 8.271,1081 23.971,1082 4.017,1083 14.798,1084 18.827,1085 0.504,1086 30.204,1087 14.323,1088 1.743,1089 7.003,1090 25.885,1091 3.204,1092 15.972,1093 20.345,1095 32.681,1096 15.462,1097 1.587,1098 4.819,1099 27.804,1100 2.934,1101 17.165,1102 21.893,1103 0.395,1104 35.174,1105 16.622,1106 1.487,1107 4.393,1108 29.726,1109 2.225,1110 18.353,1111 23.428,1113 37.663,1114 17.775,1115 4522,1116 7616,1117 16.126,1118 27.267,1119 37.895,1120 38.509,1121 40.896,1122 37.682,1123 37.766,1124 50.264,1125 3.44,1126 114.232,1127 35.556,1128 5.473,1129 5.435,1130 6.673,1131 5.401,1132 5.364,1133 7.742,1134 1.72,1135 19.941,1136 5.244,1137 13.055,1138 1.516,1139 1.54,1140 1.636,1141 1.507,1142 1.511,1143 2.011,1144 0.138,1145 4.569,1146 1.422,1147 4.134,1148 4.18,1149 4.118,1150 3.994,1151 5.258,1152 4.018,1153 3.854,1154 3.875,1155 3.81,1156 3.734,1157 4.944,1158 3.75,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 4.827,1164 3.399,1165 3.275,1166 3.34,1167 3.153,1168 3.02,1169 4.518,1170 3.046,1171 3.249,1172 3.314,1173 3.066,1174 2.98,1175 4.478,1176 2.989,1177 3.163,1178 3.253,1179 2.996,1180 2.89,1181 4.3,1182 2.901,1183 2.997,1184 3.107,1185 2.871,1186 2.687,1187 4.064,1188 2.724,1189 2.874,1190 3.009,1191 2.566,1192 2.618,1193 3.699,1194 2.57,1195 0.191,1196 0.137,1197 0.283,1198 0.173,1199 0.135,1200 4.777,1201 0.19,1202 3.435,1203 0.034,1204 7.082,1205 0.49,1206 4.328,1207 0.13,1208 3.364,1209 4.742,1210 0.86,1211 12.254,1212 3.244,1213 1.925,1214 1.909,1215 1.992,1216 2.04,1217 1.154,1218 2.021,1219 1.796,1220 1.749,1221 1.945,1222 1.99,1223 1.115,1224 1.973,1225 1.612,1226 1.548,1227 1.776,1228 1.815,1229 0.836,1230 1.814,1231 1.216,1232 1.152,1233 1.575,1234 1.527,1235 0.574,1236 1.541,1237 1.198,1238 1.127,1239 1.569,1240 1.509,1241 0.573,1242 1.528,1243 1.109,1244 1.03,1245 1.417,1246 1.389,1247 0.469,1248 1.368,1249 0.934,1250 0.804,1251 1.266,1252 1.239,1253 0.288,1254 1.308,1255 0.869,1256 0.773,1257 1.152,1258 1.213,1259 0.063,1260 1.204,1261 3.932,1263 5.273,1264 2.398,1265 6.832,1266 4.844,1267 8.494,1268 7.081,1269 10.208,1271 7.279,1275 6.093,1279 10.897,1281 0.136,1289 26.224,1290 68.157,1291 153.617,1292 182.703,1293 189.458,1294 191.458,1295 197.458,1296 33.932,1297 7.053,1298 88.08,1299 88.08,1300 17,1301 12.665,1302 4.087,1303 3.17,1304 36.354,1305 63,1306 65,1307 0.291,1308 163.54,1309 269.68,1310 390.797,1311 9092,1313 16.56,1314 0.72,1315 0.59,1316 16.56,1317 13.569,1318 11.079,1319 0.443,1320 0.291,1321 7.119,1322 10.453,1323 6.822,1324 5.763,1325 11.079,1326 7.281,1327 9.792,1328 0.272,1329 0.15,1330 9.792,1331 5.386,1332 8.607,1333 0.166,1334 0.07,1335 8.607,1336 3.665,1337 7.662,1338 0.105,1339 0.036,1340 7.662,1341 2.618,1342 6.184,1343 0.066,1344 0.019,1345 6.184,1346 1.764,1347 0.429,1348 70.847,1349 0.249,1350 21.607,1351 0.898,1352 122,1353 381.364,1354 137.193,1355 362.906,1356 507.41,1357 342,1358 149,1359 388.384,1360 166.053,1361 392.953,1362 578.93,1363 366,1364 5.959}
{0 CHEMBL1242752,1 1.596,2 8.125,3 2.742,4 7.519,5 94.237,6 7.276,7 0.615,8 3.912,9 4.041,10 3.46,11 3.364,12 5.04,13 3.364,14 4.433,15 4.625,16 3.813,17 3.712,18 5.487,19 3.706,20 4.577,21 4.77,22 3.926,23 3.838,24 5.661,25 3.829,26 4.659,27 4.859,28 3.944,29 3.927,30 5.756,31 3.891,32 4.726,33 4.934,34 3.815,35 3.957,36 5.726,37 3.881,38 4.711,39 4.928,40 3.758,41 3.912,42 5.721,43 3.817,44 4.754,45 5.022,46 3.56,47 3.797,48 5.716,49 3.661,50 4.623,51 4.926,52 3.359,53 3.543,54 5.467,55 3.407,56 0.063,57 0.683,58 9.739,59 3.759,60 10.429,61 5.187,62 0.284,63 1.02,64 18.504,65 5.902,66 25.594,67 8.403,68 0.398,69 1.18,70 21.477,71 6.275,72 29.063,73 9.334,74 0.358,75 1.301,76 22.956,77 7.343,78 34.674,79 10.691,80 0.39,81 1.313,82 24.985,83 7.88,84 35.198,85 11.625,86 0.33,87 1.266,88 24.591,89 8.197,90 33.731,91 12.223,92 0.493,93 1.177,94 27.378,95 8.082,96 50.784,97 12.714,98 0.475,99 0.912,100 25.522,101 7.2,102 41.603,103 11.322,104 36,105 37,106 0.276,107 0.627,108 0.773,109 0.831,110 0.831,111 0.831,112 3.23,113 0.907,114 -4.38,115 -4.31,116 -4.07,118 37.8,119 3,123 1,124 1,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 10,172 1,173 1,175 1,178 4,180 1,181 2,182 9,188 3,191 2,192 9,194 3,195 3,197 1,199 4,201 1,203 1,204 7,208 2,211 4,213 2,214 2,215 5,220 3,223 5,225 3,227 3,228 1,230 1,231 1,235 3,239 2,240 3,242 1,243 1,252 4,257 1,262 1,264 784,265 16.223,266 16.223,267 16.223,268 16.223,269 16.223,270 14.392,271 17.798,272 9.469,273 16.867,274 12.714,275 12.714,276 12.714,277 12.714,278 12.714,279 9.782,280 16.603,281 4.261,282 13.566,283 3.896,284 1.869,285 1.023,286 0.689,287 0.689,288 0.689,289 3.907,292 1,293 1,294 1,295 407,296 3.162,299 48.358,300 130.629,303 92.167,307 1.219,308 20.787,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52.5,320 195,321 4.76,322 3.383,323 7.039,324 4.302,325 3.339,326 4.732,327 0.86,328 12.088,329 3.218,330 4.264,331 3.19,332 6.242,333 3.844,334 2.896,335 3.917,336 0.86,337 9.336,338 2.745,339 3.823,340 2.685,341 6.064,342 3.499,343 2.549,344 3.219,346 8.538,347 2.416,348 3.705,349 2.448,350 5.71,351 3.306,352 2.355,353 3.112,355 7.441,356 2.233,357 3.033,358 2.267,359 4.82,360 2.684,361 1.743,362 2.258,364 4.818,365 1.636,366 2.989,367 1.823,368 4.521,369 2.582,370 1.683,371 2.128,373 4.394,374 1.507,375 2.947,376 1.584,377 4.365,378 2.464,379 1.526,380 2.082,382 4.071,383 1.426,384 2.532,385 1.309,386 3.862,387 2.018,388 1.078,389 1.545,391 2.766,392 1.01,393 2.175,394 1.135,395 3.493,396 1.939,397 1,398 1.136,400 2.067,401 0.929,402 2.126,403 0.975,404 3.205,405 1.793,406 0.834,407 1.041,409 1.808,410 0.796,411 1.712,412 0.818,413 2.869,414 1.425,415 0.541,416 0.619,417 0.891,418 0.473,419 1.062,420 0.165,421 2.57,422 0.694,423 -0.218,424 -0.246,425 -0.347,426 -0.197,427 0.971,428 -0.147,429 2.422,430 0.624,431 -0.291,432 -0.366,433 -0.667,434 -0.265,435 0.792,436 -0.369,437 2.262,438 0.405,439 -0.546,440 -0.685,441 -1.175,442 -0.516,443 0.588,444 -0.754,445 2.228,446 0.092,447 -0.838,448 -1,449 -2,450 -0.774,451 11.167,452 0.465,453 0.61,454 0.025,455 31.5,456 1.313,457 15.5,458 0.646,459 16,460 0.667,461 19.782,462 0.824,463 26.633,464 0.592,465 23.033,466 0.96,467 6.144,468 0.256,469 5.418,470 0.226,471 0.215,473 0.394,478 0.9,479 1.427,480 0.807,481 1.235,482 1.064,483 1.036,484 1.184,485 1.033,486 0.745,487 0.843,488 0.83,489 0.745,490 1.213,491 1.136,492 0.857,493 0.857,494 0.914,495 0.799,496 0.995,497 1.062,498 0.964,499 1.027,500 0.977,501 0.991,502 1.192,503 1.124,504 1.207,505 1.114,506 1.101,507 1.152,508 0.851,509 1.281,510 1.11,511 1.289,512 1.02,513 1.253,514 0.725,515 1.003,516 1.073,517 1.125,518 1.174,519 1.145,520 0.821,521 0.768,522 0.783,523 0.819,524 0.675,525 0.802,526 4.5,527 0.025,528 3.111,529 2.167,530 1.967,531 1.035,532 0.606,533 0.458,534 0.321,535 0.131,536 5295,537 13968,538 2.015,539 46.7,541 9,543 1,544 2,546 9,549 1.677,550 1.846,551 3.049,552 0.337,553 1,554 1,556 1,558 71.798,559 1.596,560 3.623,561 4.469,562 4.803,563 4.803,564 4.803,565 2.44,566 4.502,567 4.555,568 3.184,569 878.857,570 7.903,571 10021,573 1,575 1,576 247.133,577 1.528,578 4.493,579 0.173,580 0.004,581 0.084,582 0.053,583 0.048,584 0.03,585 0.019,586 0.019,587 0.016,588 0.009,589 0.455,590 0.17,591 1,592 1.229,593 111.348,594 -0.005,595 -0.167,596 0.066,597 -0.12,598 -0.146,599 -0.029,600 -0.018,601 0.057,602 0.221,603 0.172,604 0.12,605 0.222,606 -0.026,607 -0.029,608 0.114,609 0.133,610 0.068,611 0.148,612 -0.014,613 0.074,614 -0.023,615 -0.028,616 0.031,617 -0.031,618 -0.197,619 -0.039,620 -0.264,621 -0.105,622 -0.186,623 -0.182,624 0.002,625 -0.235,626 -0.178,627 -0.261,628 -0.048,629 -0.255,630 0.133,631 -0.051,632 -0.097,633 -0.17,634 -0.09,635 -0.168,636 0.186,637 0.039,638 0.25,639 0.115,640 0.241,641 0.184,642 1.254,643 2.165,644 0.625,645 18.25,646 1.005,647 1.138,648 3.148,649 9.911,650 0.645,651 3.296,652 3.638,653 3.97,654 4.29,655 4.543,656 4.682,657 4.771,658 4.89,659 4.92,660 4.875,661 5.184,662 0.617,663 327.43,664 3.296,665 4.844,666 5.72,667 6.627,668 7.531,669 8.448,670 9.362,671 10.283,672 11.201,673 12.125,674 11.1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 45,718 16,719 1,720 26,722 47,723 17,724 11,725 3,726 3,728 3,729 4,732 3,738 1,740 11,741 6,756 1,757 1,760 21,761 6,762 2,763 7,769 5,775 0.667,776 2,785 1,788 1,793 1,794 2,797 1,819 2,823 4,827 24,828 1,833 1,835 2,837 1,850 4.4,855 2,858 13,859 9.383,860 5.444,861 2.78,863 3.17,864 1.444,865 0.957,866 4.693,867 10.307,868 3.555,869 4.216,870 4.912,871 5.589,872 6.172,873 6.588,874 7.027,875 7.48,876 7.764,877 8.046,878 1,879 41,880 8.811,881 3.629,882 7.688,883 16.77,884 13.249,885 2.188,886 52.5,889 1,890 223.651,891 102.044,892 84.908,894 22,897 102.044,898 245.651,899 84.908,900 37.359,901 4.592,902 61.326,903 63.72,904 51.397,905 2.328,906 211.88,908 223.651,909 186.952,910 22,913 117.711,914 127.94,917 45.935,918 90.782,919 50.234,921 223.651,922 106.908,923 102.044,926 223.651,927 27.638,928 76.183,930 105.131,931 223.651,932 106.908,933 102.044,935 0.576,936 0.355,937 0.207,938 0.118,939 18,940 9,941 0.106,942 5,943 1,944 1.133,945 3.407,946 202.529,947 0.133,948 15,949 106.039,954 16.681,955 6.753,956 2.982,957 1.472,958 105.131,959 7.156,960 13.186,964 3.374,965 1.854,966 32.897,967 432.602,968 34,980 45.232,981 51.232,983 0.291,984 0.66,985 0.814,986 0.874,987 0.874,988 0.874,989 4.796,990 1.078,991 5.727,992 4.071,993 4.317,994 4.902,995 1.376,996 6.608,997 4.206,998 6.031,999 1,1000 7.331,1001 2.766,1002 4.007,1003 4.856,1005 7.667,1006 3.871,1007 7.367,1008 0.834,1009 9.039,1010 2.067,1011 5.969,1012 7.226,1013 1.159,1014 10.813,1015 5.771,1016 8.748,1017 0.541,1018 10.808,1019 1.808,1020 6.494,1021 8.043,1023 12.71,1024 6.269,1025 10.165,1026 -0.218,1027 12.614,1028 0.891,1029 7.946,1030 9.897,1031 0.963,1032 15.392,1033 7.676,1034 11.609,1035 -0.291,1036 14.447,1037 -0.347,1038 8.84,1039 11.11,1041 17.63,1042 8.538,1043 13.073,1044 -0.546,1045 16.299,1046 -0.667,1047 10.107,1048 12.766,1049 0.787,1050 20.167,1051 9.768,1052 3.339,1053 -0.838,1054 18.165,1055 -1.175,1056 11.164,1057 14.161,1059 22.55,1060 10.791,1061 2.896,1062 12.088,1063 20.043,1064 -2,1065 12.369,1066 15.742,1067 0.634,1068 25.044,1069 11.961,1070 2.549,1071 9.336,1072 21.931,1073 4.732,1074 13.499,1075 17.22,1077 27.487,1078 13.056,1079 2.355,1080 8.538,1081 23.826,1082 3.917,1083 14.686,1084 18.776,1085 0.504,1086 29.973,1087 14.21,1088 1.743,1089 7.441,1090 25.729,1091 3.219,1092 15.849,1093 20.292,1095 32.442,1096 15.338,1097 1.683,1098 4.818,1099 27.637,1100 3.112,1101 17.035,1102 21.84,1103 0.395,1104 34.928,1105 16.49,1106 1.526,1107 4.394,1108 29.55,1109 2.258,1110 18.214,1111 23.374,1113 37.408,1114 17.635,1115 5353,1116 8830,1117 16.819,1118 29.029,1119 39.365,1120 39.653,1121 41.764,1122 39.066,1123 39.086,1124 51.579,1125 3.44,1126 116.436,1127 36.78,1128 5.491,1129 5.383,1130 6.803,1131 5.375,1132 5.339,1133 7.732,1134 1.72,1135 19.555,1136 5.218,1137 13.73,1138 1.514,1139 1.525,1140 1.606,1141 1.503,1142 1.503,1143 1.984,1144 0.132,1145 4.478,1146 1.415,1147 4.134,1148 4.18,1149 4.117,1150 3.994,1151 5.257,1152 4.017,1153 3.86,1154 3.88,1155 3.816,1156 3.737,1157 4.937,1158 3.754,1159 3.577,1160 3.655,1161 3.445,1162 3.407,1163 4.833,1164 3.4,1165 3.464,1166 3.535,1167 3.281,1168 3.259,1169 4.518,1170 3.25,1171 3.286,1172 3.349,1173 3.161,1174 3.033,1175 4.473,1176 3.059,1177 3.132,1178 3.229,1179 2.966,1180 2.859,1181 4.262,1182 2.871,1183 2.991,1184 3.1,1185 2.861,1186 2.714,1187 4.036,1188 2.719,1189 2.874,1190 3.009,1191 2.707,1192 2.682,1193 3.722,1194 2.705,1195 0.183,1196 0.13,1197 0.271,1198 0.165,1199 0.128,1200 4.76,1201 0.182,1202 3.383,1203 0.033,1204 7.039,1205 0.465,1206 4.302,1207 0.124,1208 3.339,1209 4.732,1210 0.86,1211 12.088,1212 3.218,1213 1.927,1214 1.91,1215 1.996,1216 2.04,1217 1.155,1218 2.022,1219 1.796,1220 1.75,1221 1.945,1222 1.992,1223 1.118,1224 1.975,1225 1.614,1226 1.551,1227 1.802,1228 1.823,1229 0.935,1230 1.82,1231 1.456,1232 1.382,1233 1.757,1234 1.693,1235 0.828,1236 1.723,1237 1.227,1238 1.166,1239 1.569,1240 1.525,1241 0.573,1242 1.537,1243 1.071,1244 0.987,1245 1.417,1246 1.373,1247 0.469,1248 1.352,1249 0.934,1250 0.804,1251 1.244,1252 1.239,1253 0.256,1254 1.308,1255 0.863,1256 0.801,1257 1.146,1258 1.196,1259 0.178,1260 1.184,1261 3.97,1263 5.303,1264 2.398,1265 6.847,1266 4.844,1267 8.491,1268 7.081,1269 10.19,1271 7.648,1275 6.1,1277 0.548,1279 11.008,1281 0.153,1289 27.751,1290 71.798,1291 163.02,1292 201.094,1293 216.114,1294 216.114,1295 216.114,1296 35.76,1297 7.137,1298 88.08,1299 88.08,1300 17,1301 12.632,1302 4.087,1303 3.17,1304 38.943,1305 73,1306 78,1307 0.268,1308 173.132,1309 286.98,1310 414.203,1311 10184,1313 17.267,1314 0.719,1315 0.595,1316 17.267,1317 14.277,1318 11.562,1319 0.445,1320 0.302,1321 7.709,1322 10.937,1323 7.41,1324 6.236,1325 11.562,1326 7.863,1327 10.247,1328 0.277,1329 0.153,1330 10.247,1331 5.643,1332 8.763,1333 0.169,1334 0.072,1335 8.763,1336 3.744,1337 7.655,1338 0.106,1339 0.037,1340 7.655,1341 2.65,1342 6.243,1343 0.067,1344 0.019,1345 6.243,1346 1.794,1347 0.402,1348 73.539,1349 0.244,1350 22.741,1351 0.792,1352 126,1353 385.364,1354 141.858,1355 366.659,1356 514.29,1357 346,1358 152,1359 396.293,1360 169.053,1361 397.613,1362 586.69,1363 373,1364 4.833}
{0 CHEMBL1242753,1 1.68,2 8.625,3 1.476,4 2.18,5 91.364,6 7.66,7 0.615,8 3.887,9 4.006,10 3.466,11 3.311,12 5.071,13 3.333,14 4.389,15 4.564,16 3.796,17 3.654,18 5.513,19 3.667,20 4.522,21 4.706,22 3.905,23 3.766,24 5.659,25 3.774,26 4.553,27 4.724,28 3.931,29 3.842,30 5.742,31 3.83,32 4.672,33 4.87,34 3.828,35 3.876,36 5.763,37 3.825,38 4.668,39 4.886,40 3.739,41 3.819,42 5.722,43 3.747,44 4.66,45 4.911,46 3.629,47 3.68,48 5.776,49 3.588,50 4.528,51 4.794,52 3.376,53 3.436,54 5.544,55 3.356,56 0.129,57 0.652,58 8.821,59 3.471,60 13.584,61 4.547,62 0.398,63 0.96,64 17.03,65 5.38,66 32.158,67 7.288,68 0.54,69 1.089,70 19.812,71 5.853,72 36.324,73 8.354,74 0.425,75 1.186,76 19.015,77 6.468,78 34.252,79 8.921,80 0.511,81 1.21,82 22.915,83 7.247,84 39.194,85 10.393,86 0.464,87 1.156,88 23.339,89 7.37,90 38.933,91 10.876,92 0.615,93 1.021,94 24.897,95 7.317,96 61.84,97 11.239,98 0.639,99 0.811,100 23.329,101 5.854,102 56.593,103 8.97,104 30,105 36,106 0.293,107 0.68,108 0.833,109 0.876,110 0.876,111 0.876,112 3.23,113 0.875,114 -3.39,115 -3.37,116 -3.22,118 37.2,119 1,123 1,124 3,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 3,170 2,171 8,172 1,173 1,175 1,178 3,180 1,181 2,182 7,184 1,188 3,191 2,192 7,194 3,195 4,197 1,199 2,201 1,203 1,204 7,206 1,208 3,211 2,213 2,214 2,215 3,220 2,223 1,225 1,227 3,228 1,230 1,231 2,232 1,233 2,234 1,235 1,239 2,240 1,242 1,243 1,245 1,252 2,255 1,257 1,262 1,264 802,265 16.593,266 16.593,267 16.593,268 16.593,269 16.593,270 14.738,271 15.526,272 9.916,273 17.264,274 12.706,275 12.706,276 12.706,277 12.706,278 12.706,279 9.759,280 14.103,281 4.412,282 13.613,283 3.746,284 1.53,285 0.657,286 0.407,287 0.407,288 0.407,289 3.91,292 1,293 1,294 1,295 432,296 3,299 48.596,300 131.139,303 92.581,307 1.24,308 26.096,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 53.5,320 207,321 4.746,322 3.354,323 7.002,324 4.281,325 3.315,326 4.723,327 0.86,328 11.958,329 3.202,330 4.26,331 3.182,332 6.209,333 3.834,334 2.887,335 3.916,336 0.86,337 9.271,338 2.732,339 3.741,340 2.52,341 5.908,342 3.356,343 2.407,344 3.154,346 8.123,347 2.276,348 3.68,349 2.431,350 5.584,351 3.256,352 2.316,353 3.1,355 7.111,356 2.172,357 3.012,358 2.267,359 4.525,360 2.582,361 1.683,362 2.254,364 4.403,365 1.507,366 2.947,367 1.735,368 4.487,369 2.472,370 1.544,371 2.082,373 4.181,374 1.43,375 2.81,376 1.584,377 4.365,378 2.437,379 1.498,380 1.909,382 4.022,383 1.401,384 2.499,385 1.314,386 3.689,387 2.005,388 1.072,389 1.499,391 2.6,392 0.996,393 2.169,394 1.266,395 3.206,396 1.939,397 1,398 1.134,400 1.811,401 0.929,402 2.064,403 1.132,404 3.132,405 1.821,406 0.903,407 1.019,409 1.613,410 0.822,411 1.714,412 0.917,413 2.869,414 1.429,415 0.548,416 0.623,417 0.894,418 0.478,419 1.09,420 0.166,421 2.57,422 0.698,423 -0.211,424 -0.245,425 -0.347,426 -0.191,427 0.971,428 0.053,429 2.419,430 0.677,431 -0.228,432 -0.267,433 -0.456,434 -0.205,435 0.81,436 -0.227,437 2.261,438 0.454,439 -0.456,440 -0.529,441 -0.855,442 -0.409,443 0.754,444 -0.383,445 2.226,446 0.383,447 -0.552,448 -0.704,449 -1.188,450 -0.518,451 11,452 0.458,453 0.483,454 0.02,455 31.75,456 1.323,457 15.5,458 0.646,459 16.25,460 0.677,461 18.044,462 0.752,463 26.8,464 0.623,465 23.841,466 0.993,467 6.475,468 0.27,469 5.214,470 0.217,471 0.158,473 0.355,478 0.963,479 1.412,480 0.784,481 1.199,482 1.057,483 0.987,484 1.219,485 1.013,486 0.822,487 0.841,488 0.95,489 0.765,490 1.084,491 1.087,492 0.807,493 0.806,494 0.899,495 0.753,496 0.887,497 1.142,498 0.979,499 1.139,500 0.733,501 1.085,502 1.031,503 1.159,504 1.129,505 1.147,506 0.836,507 1.154,508 0.86,509 1.196,510 1.072,511 1.231,512 0.921,513 1.199,514 0.639,515 1.018,516 0.913,517 1.131,518 0.797,519 1.092,520 1.17,521 0.788,522 0.988,523 0.828,524 1.224,525 0.867,526 4,527 0.058,528 2.889,529 2.042,530 1.762,531 0.921,532 0.586,533 0.439,534 0.264,535 0.107,536 5391,537 16264,538 2.04,539 44.2,541 12,543 1,544 3,546 3,549 1.677,550 1.895,551 3.115,552 1.08,553 1,554 1,556 1,558 72.254,559 1.68,560 3.897,561 4.769,562 5.019,563 5.019,564 5.019,565 2.507,566 4.585,567 4.553,568 3.229,569 891.302,570 7.9,571 10182.9,573 1,575 1,576 233.329,577 1.459,578 4.507,579 0.154,580 0.01,581 0.08,582 0.051,583 0.044,584 0.026,585 0.019,586 0.017,587 0.013,588 0.008,589 0.422,590 0.33,591 1,592 1.296,593 111.71,594 -0.085,595 -0.154,596 0.041,597 -0.088,598 -0.174,599 -0.009,600 -0.13,601 0.088,602 0.111,603 0.175,604 -0.063,605 0.186,606 -0.017,608 0.134,609 0.195,610 -0.025,611 0.197,612 -0.005,613 0.042,614 -0.099,615 -0.118,616 0.032,617 -0.135,618 -0.119,619 -0.086,620 -0.21,621 -0.133,622 -0.053,623 -0.181,624 -0.028,625 -0.169,626 -0.141,627 -0.222,628 -0.079,629 -0.206,630 0.249,631 -0.097,632 0.078,633 -0.16,634 0.211,635 -0.093,636 -0.014,637 0.045,638 0.076,639 0.085,640 -0.041,641 0.099,642 1.549,643 3.239,644 0.625,645 19.035,646 1.016,647 1.14,648 2.157,649 4.651,650 0.645,651 3.296,652 3.611,653 3.951,654 4.277,655 4.522,656 4.644,657 4.771,658 4.883,659 4.913,660 4.844,661 5.279,662 0.626,663 329.4,664 3.296,665 4.828,666 5.7,667 6.6,668 7.501,669 8.412,670 9.323,671 10.24,672 11.156,673 12.075,674 11.6,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,714 2,716 43,718 16,719 1,720 26,722 45,723 16,724 11,725 3,726 3,728 3,729 4,732 2,740 11,741 5,756 1,757 1,760 19,761 7,762 3,763 8,769 5,775 0.667,776 3,777 1,785 1,788 1,793 1,794 2,797 1,817 1,819 2,823 2,827 24,828 1,832 1,833 3,835 2,850 7,851 1,855 2,858 12.667,859 8.25,860 5.583,861 2.497,863 3.17,864 1.444,865 0.944,866 4.946,867 10.307,868 3.555,869 4.201,870 4.897,871 5.575,872 6.153,873 6.556,874 7.012,875 7.461,876 7.749,877 8.014,878 0.833,879 40,880 8.806,881 3.648,882 7.84,883 16.531,884 12.989,885 2.34,886 56.167,890 188.338,891 86.499,892 84.908,894 64.683,897 86.499,898 253.021,899 84.908,900 19.708,901 6.698,902 104.009,903 63.72,904 51.397,905 2.328,906 176.567,908 188.338,909 171.407,910 64.683,913 153.024,914 57.313,915 42.683,917 30.391,918 90.782,919 50.234,921 188.338,922 149.591,923 86.499,926 188.338,927 29.743,928 58.532,930 147.814,931 188.338,932 149.591,933 86.499,935 0.561,936 0.351,937 0.212,938 0.122,939 17,940 8,941 0.133,942 6,943 1,944 1.133,945 3.456,946 200.235,947 0.133,948 15,949 110.039,954 16.643,955 7.133,956 3.092,957 1.235,958 147.814,959 6.923,960 12.841,964 3.053,965 1.618,966 75.581,967 424.428,968 34,980 43.676,981 49.026,983 0.31,984 0.718,985 0.879,986 0.925,987 0.925,988 0.925,989 4.779,990 1.072,991 5.687,992 4.022,993 4.29,994 4.887,995 1.376,996 6.555,997 4.173,998 6.001,999 1,1000 7.277,1001 2.6,1002 3.892,1003 4.808,1005 7.585,1006 3.751,1007 7.332,1008 0.903,1009 8.974,1010 1.811,1011 5.922,1012 7.209,1013 1.159,1014 10.74,1015 5.72,1016 8.71,1017 0.548,1018 10.734,1019 1.613,1020 6.399,1021 8.016,1023 12.626,1024 6.174,1025 10.126,1026 -0.211,1027 12.534,1028 0.894,1029 7.881,1030 9.881,1031 0.963,1032 15.303,1033 7.612,1034 11.568,1035 -0.228,1036 14.361,1037 -0.347,1038 8.753,1039 11.089,1041 17.536,1042 8.456,1043 13.032,1044 -0.456,1045 16.209,1046 -0.456,1047 10.031,1048 12.748,1049 0.787,1050 20.066,1051 9.698,1052 3.315,1053 -0.552,1054 18.071,1055 -0.855,1056 11.078,1057 14.141,1059 22.441,1060 10.714,1061 2.887,1062 11.958,1063 19.946,1064 -1.188,1065 12.285,1066 15.723,1067 0.634,1068 24.928,1069 11.889,1070 2.407,1071 9.271,1072 21.831,1073 4.723,1074 13.408,1075 17.199,1077 27.362,1078 12.98,1079 2.316,1080 8.123,1081 23.723,1082 3.916,1083 14.593,1084 18.754,1085 0.504,1086 29.839,1087 14.134,1088 1.683,1089 7.111,1090 25.623,1091 3.154,1092 15.75,1093 20.268,1095 32.298,1096 15.259,1097 1.544,1098 4.403,1099 27.529,1100 3.1,1101 16.932,1102 21.815,1103 0.395,1104 34.774,1105 16.409,1106 1.498,1107 4.181,1108 29.439,1109 2.254,1110 18.105,1111 23.347,1113 37.245,1114 17.55,1115 5440,1116 9559,1117 17.107,1118 27.722,1119 38.516,1120 39.092,1121 41.028,1122 38.349,1123 38.343,1124 50.828,1125 3.44,1126 111.976,1127 35.889,1128 5.479,1129 5.354,1130 6.765,1131 5.353,1132 5.315,1133 7.723,1134 1.72,1135 19.331,1136 5.202,1137 12.482,1138 1.481,1139 1.504,1140 1.578,1141 1.475,1142 1.475,1143 1.955,1144 0.132,1145 4.307,1146 1.38,1147 4.129,1148 4.174,1149 4.112,1150 3.989,1151 6.456,1152 4.013,1153 3.857,1154 3.878,1155 3.815,1156 3.731,1157 5.256,1158 3.75,1159 3.512,1160 3.584,1161 3.396,1162 3.278,1163 4.935,1164 3.29,1165 3.464,1166 3.535,1167 3.279,1168 3.258,1169 4.829,1170 3.25,1171 3.284,1172 3.343,1173 3.157,1174 3.03,1175 4.511,1176 3.054,1177 3.137,1178 3.221,1179 2.98,1180 2.853,1181 4.472,1182 2.866,1183 2.993,1184 3.1,1185 2.865,1186 2.714,1187 4.233,1188 2.722,1189 2.861,1190 2.917,1191 2.707,1192 2.683,1193 3.727,1194 2.705,1195 0.183,1196 0.129,1197 0.269,1198 0.165,1199 0.128,1200 4.746,1201 0.182,1202 3.354,1203 0.033,1204 7.002,1205 0.46,1206 4.281,1207 0.123,1208 3.315,1209 4.723,1210 0.86,1211 11.958,1212 3.202,1213 1.926,1214 1.91,1215 1.995,1216 2.037,1217 1.136,1218 2.02,1219 1.778,1220 1.736,1221 1.868,1222 1.98,1223 1.063,1224 1.951,1225 1.528,1226 1.464,1227 1.789,1228 1.788,1229 0.933,1230 1.774,1231 1.451,1232 1.377,1233 1.714,1234 1.69,1235 0.813,1236 1.717,1237 1.217,1238 1.156,1239 1.567,1240 1.521,1241 0.573,1242 1.533,1243 1.058,1244 0.98,1245 1.243,1246 1.379,1247 0.265,1248 1.348,1249 0.865,1250 0.801,1251 1.146,1252 1.201,1253 0.18,1254 1.187,1255 0.845,1256 0.773,1257 1.102,1258 1.09,1259 0.115,1260 1.091,1261 3.97,1263 5.283,1264 2.398,1265 6.815,1266 4.844,1267 8.452,1268 7.066,1269 10.146,1271 3.498,1275 6.034,1276 9.239,1277 0.791,1279 10.935,1289 26.939,1290 72.254,1291 167.555,1292 205.065,1293 215.82,1294 215.82,1295 215.82,1296 38.172,1297 7.137,1298 108.31,1299 108.31,1300 17,1301 12.585,1302 4.087,1303 3.17,1304 38.95,1305 74,1306 78,1307 0.263,1308 167.536,1309 278.47,1310 400.548,1311 10280,1313 17.104,1314 0.713,1315 0.565,1316 17.104,1317 13.561,1318 11.689,1319 0.45,1320 0.292,1321 7.405,1322 10.979,1323 7.229,1324 6.001,1325 11.689,1326 7.582,1327 9.888,1328 0.275,1329 0.14,1330 9.888,1331 5.052,1332 8.652,1333 0.17,1334 0.071,1335 8.652,1336 3.607,1337 7.677,1338 0.108,1339 0.036,1340 7.677,1341 2.575,1342 6.246,1343 0.069,1344 0.019,1345 6.246,1346 1.719,1347 0.396,1348 75.047,1349 0.242,1350 22.838,1351 0.773,1352 124,1353 415.513,1354 140.964,1355 389.907,1356 537.61,1357 368,1358 149,1359 400.456,1360 166.938,1361 400.323,1362 590.8,1363 376,1364 4}
{0 CHEMBL1242754,1 1.465,2 8.043,3 2.612,4 6.825,5 90.484,6 7.805,7 0.808,8 3.791,9 3.924,10 3.414,11 3.348,12 4.948,13 3.341,14 4.285,15 4.464,16 3.798,17 3.735,18 5.382,19 3.717,20 4.487,21 4.689,22 3.871,23 3.847,24 5.569,25 3.817,26 4.564,27 4.796,28 3.826,29 3.839,30 5.659,31 3.787,32 4.47,33 4.689,34 3.659,35 3.77,36 5.488,37 3.701,38 4.397,39 4.605,40 3.614,41 3.701,42 5.51,43 3.628,44 4.478,45 4.745,46 3.386,47 3.615,48 5.466,49 3.501,50 4.308,51 4.617,52 3.101,53 3.383,54 5.167,55 3.247,56 0.046,57 0.654,58 7.273,59 3.04,60 8.667,61 4.033,62 0.141,63 1.029,64 13.478,65 5.082,66 16.112,67 7.001,68 0.154,69 1.216,70 17.366,71 5.879,72 18.667,73 8.306,74 0.331,75 1.269,76 20.041,77 6.467,78 33.89,79 9.227,80 0.199,81 1.143,82 17.639,83 5.859,84 22.001,85 8.278,86 0.177,87 1.075,88 15.928,89 5.71,90 27.445,91 8.005,92 0.224,93 1.058,94 19.798,95 6.045,96 35.112,97 8.926,98 0.214,99 0.826,100 18.378,101 5.644,102 27.334,103 8.549,104 11,105 38,106 0.256,107 0.648,108 0.776,109 0.828,110 0.837,111 0.837,112 3.19,113 0.864,114 -4.45,115 -4.38,116 -4.13,118 43.6,119 2,126 1,138 5,139 3,141 1,142 2,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 10,172 1,173 1,175 1,178 8,180 1,181 1,182 7,188 6,191 3,192 8,194 3,195 3,197 1,199 6,201 1,203 1,204 4,208 1,211 4,213 1,214 2,215 7,217 1,218 1,220 3,223 4,225 3,228 7,233 1,235 3,237 1,240 5,245 2,247 2,249 2,252 2,257 1,260 4,262 1,264 677,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.264,271 9.487,272 9.059,273 15.953,274 12.838,275 12.838,276 12.838,277 12.838,278 12.838,279 9.221,280 7.5,281 4.27,282 13.346,283 3.82,284 1.581,285 0.849,286 0.552,287 0.5,288 0.5,289 3.888,292 1,293 1,294 1,295 407,296 2.646,299 40.642,300 150.345,303 78.29,304 83.376,307 1.18,308 16.094,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 49,320 185,321 4.762,322 3.376,323 7.039,324 4.303,325 3.339,326 4.737,328 12.088,329 3.22,330 4.396,331 2.923,332 6.247,333 3.893,334 2.913,335 4.324,337 9.372,338 2.852,339 3.85,340 2.664,341 6.069,342 3.512,343 2.554,344 3.298,346 8.561,347 2.446,348 3.744,349 2.399,350 5.712,351 3.33,352 2.367,353 3.179,355 7.453,356 2.277,357 3.118,358 1.822,359 4.82,360 2.685,361 1.744,362 2.427,364 4.819,365 1.639,366 3.08,367 1.618,368 4.531,369 2.587,370 1.618,371 2.368,373 4.487,374 1.566,375 3.016,376 1.579,377 4.367,378 2.537,379 1.579,380 2.141,382 4.088,383 1.512,384 2.86,385 1.368,386 3.864,387 2.343,388 1.368,389 2.035,391 2.999,392 1.329,393 2.527,394 1.059,395 3.614,396 2.005,397 1.058,398 1.539,400 2.733,401 0.999,402 2.186,403 0.856,404 3.486,405 1.789,406 0.827,407 1.077,409 2.06,410 0.794,411 2.085,412 0.639,413 3.162,414 1.599,415 0.632,416 0.922,417 1.506,418 0.61,419 1.084,420 -0.144,421 2.682,422 0.657,423 -0.273,424 -0.348,425 -0.643,426 -0.251,427 1.03,428 -0.409,429 2.425,430 0.539,431 -0.415,432 -0.587,433 -1.037,434 -0.398,435 0.882,436 -0.618,437 2.262,438 0.361,439 -0.618,440 -0.927,441 -1.598,442 -0.603,443 0.644,444 -0.776,445 2.229,446 0.13,447 -0.811,448 -1,449 -2,450 -0.758,451 10.9,452 0.474,453 0.61,454 0.027,455 34,456 1.478,457 18.5,458 0.804,459 15.5,460 0.674,461 16.1,462 0.7,463 23.3,464 0.597,465 23.04,466 1.002,467 6.504,468 0.283,469 4.643,470 0.202,471 0.128,473 0.404,478 0.868,479 1.228,480 0.738,481 0.978,482 1.076,483 0.864,484 0.81,485 1.066,486 0.699,487 0.873,488 0.648,489 0.789,490 1.148,491 1.199,492 0.876,493 0.953,494 0.831,495 0.889,496 1.029,497 0.863,498 0.952,499 0.865,500 0.998,501 0.891,502 1.294,503 1.074,504 1.166,505 1.055,506 1.081,507 1.085,508 0.997,509 1.193,510 1.145,511 1.238,512 1.158,513 1.217,514 1.338,515 1.021,516 1.197,517 1.029,518 1.537,519 1.081,520 1.052,521 0.706,522 0.902,523 0.719,524 0.9,525 0.776,526 4,527 0.025,528 2.889,529 1.917,530 1.869,531 0.799,532 0.485,533 0.38,534 0.179,535 0.082,536 5247,537 13076,538 2.141,539 41,541 6,543 2,544 2,546 6,549 1.663,550 2,551 3.014,552 0.321,553 1,554 1,556 1,558 57.134,559 1.465,560 3.704,561 4.436,562 4.734,563 4.785,564 4.785,565 2.442,566 4.437,567 4.497,568 3.132,569 792.408,570 7.773,571 8620.42,572 1,573 1,574 1,575 1,576 206.131,577 1.422,578 4.454,579 0.154,580 0.008,581 0.076,582 0.048,583 0.051,584 0.026,585 0.017,586 0.017,587 0.011,588 0.008,589 0.415,590 0.33,591 1,592 0.777,593 104.655,594 0.027,595 -0.08,596 0.059,597 -0.011,598 -0.178,599 0.021,600 0.167,601 0.02,602 0.178,603 0.088,604 0.157,605 0.126,606 -0.084,607 -0.139,608 0.042,609 -0.012,610 0.039,611 0.025,612 0.133,613 0.174,614 0.018,615 0.062,616 0.087,617 0.03,618 -0.23,619 -0.039,620 -0.229,621 -0.114,622 -0.156,623 -0.161,624 0.014,625 -0.159,626 -0.224,627 -0.288,628 -0.013,629 -0.29,630 -0.252,631 -0.074,632 -0.173,633 -0.079,634 -0.31,635 -0.108,636 -0.079,637 0.145,638 0.192,639 0.281,640 0.094,641 0.277,642 1.231,643 2.096,644 0.826,645 15.981,646 1.001,647 1.13,648 3.218,649 10.356,650 0.688,651 3.296,652 3.664,653 4.007,654 4.344,655 4.625,656 4.745,657 4.868,658 5.024,659 5.106,660 5.106,661 4.96,662 0.661,663 304.39,664 3.296,665 4.86,666 5.746,667 6.658,668 7.567,669 8.486,670 9.403,671 10.325,672 11.245,673 12.17,674 15.4,678 1,682 1,684 4,689 4,690 7,691 4,695 3,696 1,697 21,708 1,716 39,718 21,719 1,720 26,722 42,723 17,724 14,725 2,726 4,728 4,729 6,732 2,738 1,740 14,741 3,756 1,757 1,760 16,761 5,762 2,763 6,769 6,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 2,827 23,828 1,837 1,858 11.5,859 7.75,860 4.944,861 2.369,863 4.316,864 1.577,865 1.034,866 3.154,867 11.795,868 3.624,869 4.341,870 5.068,871 5.772,872 6.396,873 6.819,874 7.316,875 7.841,876 8.264,877 8.596,878 1,879 40,880 8.439,881 3.624,882 7.63,883 16.169,884 13.433,885 2.13,886 49,890 164.795,891 99.973,892 101.693,897 99.973,898 164.795,899 101.693,900 17.65,902 80.278,903 92.277,904 32.675,905 2.328,906 141.253,908 164.795,909 201.667,913 94.169,914 70.627,917 43.709,918 90.938,919 67.02,921 164.795,922 101.693,923 99.973,926 164.795,927 17.276,928 84.474,930 99.917,931 164.795,932 101.693,933 99.973,935 0.591,936 0.357,937 0.206,938 0.119,939 21,940 9,941 0.048,942 2,943 2,944 1.211,945 3.435,946 199.866,947 0.211,948 19,949 102.042,954 13.951,955 5.2,956 2.202,957 3.537,958 99.917,959 13.359,960 17.72,964 2.115,965 1.873,966 32.897,967 366.462,968 36.5,980 39.029,981 44.066,983 0.277,984 0.701,985 0.839,986 0.896,987 0.905,988 0.905,989 4.862,990 1.368,991 5.753,992 4.088,993 4.344,994 5.027,996 6.632,997 4.27,998 6.113,999 1.058,1000 7.352,1001 2.999,1002 4.007,1003 4.956,1005 7.667,1006 3.908,1007 7.453,1008 0.827,1009 9.055,1010 2.733,1011 5.994,1012 7.398,1014 10.825,1015 5.854,1016 8.836,1017 0.632,1018 10.819,1019 2.06,1020 6.494,1021 8.195,1023 12.713,1024 6.326,1025 10.255,1026 -0.273,1027 12.622,1028 1.506,1029 7.967,1030 10.095,1032 15.399,1033 7.764,1034 11.699,1035 -0.415,1036 14.453,1037 -0.643,1038 8.846,1039 11.297,1041 17.635,1042 8.611,1043 13.165,1044 -0.618,1045 16.304,1046 -1.037,1047 10.125,1048 12.976,1050 20.172,1051 9.857,1052 3.339,1053 -0.811,1054 18.169,1055 -1.598,1056 11.175,1057 14.365,1059 22.553,1060 10.872,1061 2.913,1062 12.088,1063 20.047,1064 -2,1065 12.385,1066 15.954,1068 25.048,1069 12.048,1070 2.554,1071 9.372,1072 21.934,1073 4.737,1074 13.51,1075 17.426,1077 27.49,1078 13.137,1079 2.367,1080 8.561,1081 23.83,1082 4.324,1083 14.7,1084 18.982,1086 29.975,1087 14.292,1088 1.744,1089 7.453,1090 25.732,1091 3.298,1092 15.861,1093 20.49,1095 32.444,1096 15.416,1097 1.618,1098 4.819,1099 27.64,1100 3.179,1101 17.047,1102 22.034,1104 34.929,1105 16.566,1106 1.579,1107 4.487,1108 29.553,1109 2.427,1110 18.225,1111 23.56,1113 37.41,1114 17.706,1115 4990,1116 8013,1117 17.512,1118 26.841,1119 40.362,1120 39.93,1121 41.515,1122 40.012,1123 39.997,1124 56.095,1126 120.33,1127 38.485,1128 5.429,1129 5.376,1130 6.727,1131 5.375,1132 5.339,1133 7.737,1135 19.555,1136 5.22,1137 10.072,1138 1.552,1139 1.536,1140 1.597,1141 1.539,1142 1.538,1143 2.157,1145 4.628,1146 1.48,1147 4.155,1148 4.197,1149 4.134,1150 4.045,1151 5.259,1152 4.058,1153 3.991,1154 4.029,1155 3.955,1156 3.869,1157 4.994,1158 3.889,1159 3.579,1160 3.656,1161 3.445,1162 3.421,1163 4.841,1164 3.41,1165 3.455,1166 3.503,1167 3.38,1168 3.339,1169 4.515,1170 3.344,1171 3.137,1172 3.232,1173 3.032,1174 2.887,1175 4.349,1176 2.918,1177 2.999,1178 3.097,1179 2.89,1180 2.855,1181 4.079,1182 2.853,1183 2.97,1184 3.042,1185 2.853,1186 2.679,1187 3.899,1188 2.717,1189 2.874,1190 3.009,1191 2.526,1192 2.618,1193 3.677,1194 2.57,1195 0.183,1196 0.13,1197 0.271,1198 0.165,1199 0.128,1200 4.762,1201 0.182,1202 3.376,1204 7.039,1205 0.465,1206 4.303,1207 0.124,1208 3.339,1209 4.737,1211 12.088,1212 3.22,1213 2.042,1214 2.019,1215 2.116,1216 2.123,1217 1.225,1218 2.122,1219 1.829,1220 1.787,1221 1.949,1222 2.02,1223 1.145,1224 1.993,1225 1.655,1226 1.594,1227 1.818,1228 1.848,1229 0.923,1230 1.847,1231 1.443,1232 1.393,1233 1.598,1234 1.593,1235 0.628,1236 1.603,1237 1.042,1238 0.966,1239 1.417,1240 1.355,1241 0.469,1242 1.329,1243 0.98,1244 0.922,1245 1.219,1246 1.239,1247 0.245,1248 1.308,1249 0.934,1250 0.804,1251 1.209,1252 1.183,1253 0.171,1254 1.184,1255 0.826,1256 0.746,1257 1.057,1258 1.136,1259 0.035,1260 1.135,1261 3.97,1263 5.323,1264 2.398,1265 6.884,1266 4.844,1267 8.542,1268 7.081,1269 10.249,1271 4.125,1275 6.096,1281 0.175,1289 25.762,1290 57.134,1291 144.463,1292 173.011,1293 184.621,1294 186.621,1295 186.621,1296 27.707,1297 7.478,1298 82.51,1299 82.51,1300 23,1301 12.676,1302 4.459,1303 3.524,1304 31.639,1305 67,1306 68,1307 0.235,1308 158.686,1309 251.86,1310 378.953,1311 16621,1313 15.974,1314 0.695,1315 0.562,1316 15.974,1317 12.932,1318 11.148,1319 0.429,1320 0.288,1321 7.393,1322 10.757,1323 7.162,1324 5.987,1325 11.148,1326 7.488,1327 10.335,1328 0.272,1329 0.152,1330 10.335,1331 5.761,1332 8.979,1333 0.166,1334 0.072,1335 8.979,1336 3.871,1337 7.939,1338 0.104,1339 0.036,1340 7.939,1341 2.758,1342 6.765,1343 0.067,1344 0.019,1345 6.765,1346 1.931,1347 0.352,1348 69.484,1349 0.239,1350 21.912,1351 0.697,1352 128,1353 339.538,1354 139.157,1355 340.128,1356 486.67,1357 320,1358 156,1359 385.758,1360 168.628,1361 392.435,1362 579.48,1363 370,1364 5.77}
{0 CHEMBL1242755,1 1.443,2 8.68,3 3.288,4 10.812,5 97.731,6 7.684,7 0.724,8 3.896,9 4.026,10 3.514,11 3.472,12 4.986,13 3.458,14 4.434,15 4.605,16 3.901,17 3.9,18 5.458,19 3.864,20 4.693,21 4.922,22 3.936,23 3.982,24 5.649,25 3.921,26 4.671,27 4.916,28 3.918,29 3.921,30 5.705,31 3.871,32 4.563,33 4.775,34 3.815,35 3.894,36 5.566,37 3.837,38 4.537,39 4.742,40 3.777,41 3.875,42 5.583,43 3.806,44 4.605,45 4.845,46 3.655,47 3.833,48 5.565,49 3.735,50 4.552,51 4.838,52 3.343,53 3.661,54 5.431,55 3.521,56 0.05,57 0.717,58 8.297,59 3.522,60 8.774,61 4.698,62 0.139,63 1.178,64 15.651,65 6.239,66 16.491,67 8.555,68 0.171,69 1.418,70 22.931,71 7.978,72 23.506,73 11.523,74 0.374,75 1.401,76 23.248,77 7.212,78 36.846,79 10.468,80 0.218,81 1.281,82 19.373,83 6.327,84 25.148,85 8.945,86 0.218,87 1.249,88 18.549,89 6.563,90 29.432,91 9.181,92 0.179,93 1.256,94 21.37,95 7.207,96 28.76,97 10.431,98 0.249,99 1.109,100 22.225,101 6.961,102 34.777,103 10.34,104 2,105 42,106 0.247,107 0.624,108 0.755,109 0.833,110 0.841,111 0.841,112 3.269,113 0.895,114 -4.92,115 -4.82,116 -4.52,118 44.2,120 4,126 1,138 5,139 3,141 1,142 2,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 9,170 2,171 10,172 1,173 1,175 1,178 10,180 1,181 1,182 9,188 6,191 3,192 10,194 3,195 3,197 1,199 6,201 1,203 1,204 6,208 1,211 6,213 1,214 2,215 7,217 1,218 1,220 3,223 6,225 3,228 9,233 3,235 5,237 3,240 7,245 2,247 4,249 2,252 2,257 1,260 6,262 1,264 863,265 17.499,266 17.499,267 17.499,268 17.499,269 17.499,270 15.126,271 9.487,272 10.279,273 17.798,274 14.358,275 14.358,276 14.358,277 14.358,278 14.358,279 10.755,280 7.5,281 4.884,282 14.855,283 3.983,284 1.78,285 1.014,286 0.558,287 0.512,288 0.512,289 3.985,292 1,293 1,294 1,295 494,296 2.121,299 95.706,300 164.043,303 84.315,304 91.068,307 1.238,308 17.142,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 53,320 217,321 4.766,322 3.389,323 7.051,324 4.312,325 3.348,326 4.738,328 12.147,329 3.227,330 4.397,331 2.936,332 6.29,333 3.9,334 2.92,335 4.324,337 9.49,338 2.859,339 3.902,340 2.762,341 6.138,342 3.643,343 2.674,344 3.309,346 8.944,347 2.591,348 3.758,349 2.4,350 5.749,351 3.344,352 2.376,353 3.197,355 7.628,356 2.3,357 3.239,358 2.038,359 5.079,360 2.949,361 1.996,362 2.427,364 5.69,365 1.899,366 3.118,367 1.618,368 4.532,369 2.587,370 1.618,371 2.373,373 4.49,374 1.566,375 3.079,376 1.58,377 4.367,378 2.537,379 1.579,380 2.357,382 4.098,383 1.512,384 2.863,385 1.422,386 4.235,387 2.352,388 1.381,389 2.04,391 3.529,392 1.336,393 2.638,394 1.358,395 3.681,396 2.301,397 1.334,398 1.683,400 2.993,401 1.286,402 2.456,403 1.042,404 3.593,405 1.972,406 1.032,407 1.44,409 2.544,410 0.968,411 2.141,412 0.719,413 3.25,414 1.684,415 0.708,416 0.972,417 1.763,418 0.689,419 1.853,420 0.63,421 3.161,422 1.618,423 0.618,424 0.771,425 1.497,426 0.618,427 1.618,428 0.618,429 3,430 1.588,431 0.618,432 0.618,433 1.372,434 0.598,435 1.084,436 -0.142,437 2.682,438 0.658,439 -0.271,440 -0.345,441 -0.642,442 -0.25,443 1.03,444 -0.408,445 2.461,446 0.541,447 -0.414,448 -0.584,449 -1.036,450 -0.397,451 11.9,452 0.476,453 0.534,454 0.021,455 35.5,456 1.42,457 18.5,458 0.74,459 17,460 0.68,461 18.785,462 0.751,463 25.3,464 0.588,465 23.666,466 0.947,467 6.479,468 0.259,469 5.83,470 0.233,471 0.034,473 0.37,478 0.845,479 1.184,480 0.74,481 0.958,482 0.932,483 0.857,484 0.781,485 1.116,486 0.822,487 1.01,488 0.616,489 0.938,490 0.976,491 1.197,492 0.857,493 1.008,494 0.699,495 0.933,496 1.117,497 0.82,498 0.87,499 0.742,500 0.975,501 0.767,502 1.421,503 1.071,504 1.127,505 0.977,506 1.195,507 1.006,508 1.139,509 1.1,510 1.15,511 1.125,512 1.325,513 1.137,514 1.206,515 1.183,516 1.14,517 1.139,518 1.375,519 1.133,520 1.286,521 0.876,522 1.145,523 0.931,524 1.359,525 1.003,526 3.5,527 0.015,528 2.889,529 1.694,530 1.709,531 0.768,532 0.47,533 0.392,534 0.155,535 0.074,536 7095,537 16034,538 2.251,539 41.9,540 4,541 6,543 2,544 2,546 4,549 1.686,550 2.174,551 3.114,552 0.273,553 1,554 1,558 62.05,559 1.443,560 3.646,561 4.412,562 4.868,563 4.915,564 4.915,565 2.504,566 4.214,567 4.616,568 3.228,569 968.475,570 8.016,571 11174.6,573 1,575 1,576 233.329,577 1.159,578 4.603,579 0.121,580 0.002,581 0.069,582 0.04,583 0.042,584 0.021,585 0.013,586 0.013,587 0.007,588 0.005,589 0.334,590 0.33,591 0.88,592 0.372,593 117.367,594 0.041,595 -0.041,596 0.068,597 0.015,598 -0.025,599 0.04,600 0.145,601 -0.034,602 0.049,603 -0.038,604 0.161,605 -0.013,606 0.03,607 -0.2,608 0.108,609 -0.041,610 0.156,611 0.029,612 0.147,613 0.219,614 0.131,615 0.176,616 0.137,617 0.156,618 -0.253,619 0.002,620 -0.19,621 -0.052,622 -0.191,623 -0.101,624 -0.06,625 -0.038,626 -0.228,627 -0.184,628 -0.14,629 -0.22,630 -0.174,631 -0.199,632 -0.163,633 -0.18,634 -0.204,635 -0.172,636 -0.22,637 0.047,638 -0.098,639 0.035,640 -0.176,641 -0.006,642 1.197,643 2.194,644 0.96,645 18.941,646 0.998,647 1.127,648 3.688,649 13.602,650 0.688,651 3.401,652 3.761,653 4.127,654 4.477,655 4.736,656 4.905,657 5.1,658 5.288,659 5.398,660 5.416,661 5.262,662 0.658,663 330.43,664 3.401,665 4.963,666 5.855,667 6.765,668 7.676,669 8.596,670 9.515,671 10.439,672 11.363,673 12.29,674 14,678 1,682 1,684 4,689 4,690 7,691 4,695 3,696 1,697 21,708 1,716 43,718 21,719 1,720 29,722 47,723 19,724 14,725 2,726 4,728 5,729 7,735 5,738 5,740 14,741 5,756 1,757 1,760 18,761 5,762 2,763 6,769 6,775 0.6,785 1,787 1,788 1,793 2,794 3,797 1,798 1,819 3,827 25,828 1,833 4,837 1,858 11.5,859 7.75,860 5.361,861 2.786,863 4.269,864 1.544,865 1.066,866 3.338,867 12.117,868 3.701,869 4.391,870 5.111,871 5.811,872 6.431,873 6.873,874 7.394,875 7.925,876 8.356,877 8.697,878 0.833,879 42,880 9.225,881 4.059,882 7.54,883 18.02,884 15.622,885 2.04,886 51,889 1,890 188.338,891 92.461,892 101.693,897 92.461,898 188.338,899 101.693,901 10.138,902 80.278,903 92.277,904 32.675,905 2.328,906 164.795,908 188.338,909 194.154,913 141.253,914 47.084,917 36.197,918 90.938,919 67.02,921 188.338,922 101.693,923 92.461,926 188.338,927 27.414,928 66.824,930 99.917,931 188.338,932 101.693,933 92.461,935 0.585,936 0.358,937 0.21,938 0.114,939 24,940 9,941 0.043,942 2,943 2,944 1.167,945 3.714,946 230.451,947 0.167,948 24,949 112.096,954 14.65,955 5.696,956 2.341,957 3.697,958 99.917,959 13.553,960 18.146,964 2.234,965 2.047,966 32.897,967 382.492,968 39.5,980 42.912,981 48.481,983 0.266,984 0.672,985 0.813,986 0.897,987 0.906,988 0.906,989 4.943,990 1.381,991 5.844,992 4.098,993 4.443,994 5.078,996 6.715,997 4.376,998 6.171,999 1.334,1000 7.431,1001 3.529,1002 4.007,1003 4.956,1005 7.722,1006 3.908,1007 7.502,1008 1.032,1009 9.124,1010 2.993,1011 6.08,1012 7.42,1014 10.897,1015 5.95,1016 8.878,1017 0.708,1018 10.881,1019 2.544,1020 6.538,1021 8.204,1023 12.781,1024 6.375,1025 10.291,1026 0.618,1027 12.681,1028 1.763,1029 8.04,1030 10.104,1032 15.469,1033 7.846,1034 11.732,1035 0.618,1036 14.509,1037 1.497,1038 8.901,1039 11.303,1041 17.703,1042 8.671,1043 13.194,1044 -0.271,1045 16.358,1046 1.372,1047 10.19,1048 12.981,1050 20.242,1051 9.928,1052 3.348,1053 -0.414,1054 18.223,1055 -0.642,1056 11.231,1057 14.369,1059 22.622,1060 10.932,1061 2.92,1062 12.147,1063 20.1,1064 -1.036,1065 12.444,1066 15.958,1068 25.118,1069 12.111,1070 2.674,1071 9.49,1072 21.987,1073 4.738,1074 13.566,1075 17.429,1077 27.561,1078 13.195,1079 2.376,1080 8.944,1081 23.883,1082 4.324,1083 14.757,1084 18.985,1086 30.048,1087 14.349,1088 1.996,1089 7.628,1090 25.785,1091 3.309,1092 15.916,1093 20.493,1095 32.519,1096 15.47,1097 1.618,1098 5.69,1099 27.693,1100 3.197,1101 17.104,1102 22.037,1104 35.007,1105 16.62,1106 1.579,1107 4.49,1108 29.606,1109 2.427,1110 18.281,1111 23.563,1113 37.49,1114 17.759,1115 6470,1116 9883,1117 20.285,1118 29.603,1119 44.239,1120 44.306,1121 44.939,1122 44.47,1123 44.406,1124 60.501,1126 132.373,1127 42.897,1128 5.668,1129 5.389,1130 6.738,1131 5.387,1132 5.348,1133 7.738,1135 19.686,1136 5.227,1137 6.03,1138 1.525,1139 1.528,1140 1.55,1141 1.533,1142 1.531,1143 2.086,1145 4.565,1146 1.479,1147 4.164,1148 4.208,1149 4.141,1150 4.05,1151 5.259,1152 4.064,1153 4,1154 4.037,1155 3.959,1156 3.887,1157 4.994,1158 3.902,1159 3.793,1160 3.851,1161 3.667,1162 3.681,1163 4.839,1164 3.671,1165 3.456,1166 3.507,1167 3.385,1168 3.345,1169 4.514,1170 3.349,1171 3.24,1172 3.332,1173 3.162,1174 2.959,1175 4.351,1176 3.001,1177 3.007,1178 3.097,1179 2.912,1180 2.859,1181 4.169,1182 2.859,1183 2.971,1184 3.046,1185 2.856,1186 2.753,1187 3.916,1188 2.769,1189 2.869,1190 2.979,1191 2.602,1192 2.671,1193 3.683,1194 2.635,1195 0.164,1196 0.117,1197 0.243,1198 0.149,1199 0.115,1200 4.766,1201 0.163,1202 3.389,1204 7.051,1205 0.419,1206 4.312,1207 0.111,1208 3.348,1209 4.738,1211 12.147,1212 3.227,1213 2.042,1214 2.019,1215 2.116,1216 2.123,1217 1.244,1218 2.122,1219 1.825,1220 1.785,1221 1.901,1222 2.01,1223 1.223,1224 1.977,1225 1.634,1226 1.579,1227 1.86,1228 1.819,1229 1.211,1230 1.812,1231 1.577,1232 1.507,1233 1.792,1234 1.751,1235 0.932,1236 1.793,1237 1.436,1238 1.388,1239 1.593,1240 1.582,1241 0.633,1242 1.593,1243 1.038,1244 0.966,1245 1.216,1246 1.34,1247 0.247,1248 1.318,1249 0.98,1250 0.922,1251 1.209,1252 1.182,1253 0.201,1254 1.183,1255 0.826,1256 0.748,1257 1.057,1258 1.134,1259 0.094,1260 1.132,1261 4.078,1263 5.425,1264 3.045,1265 6.978,1266 5.352,1267 8.628,1268 7.455,1269 10.33,1275 6.194,1277 4.741,1281 0.388,1289 28.289,1290 62.05,1291 156.784,1292 189.72,1293 209.329,1294 211.329,1295 211.329,1296 29.902,1297 7.849,1298 82.51,1299 82.51,1300 28,1301 12.795,1302 4.459,1303 3.524,1304 31.86,1305 77,1306 80,1307 0.202,1308 170.477,1309 274.1,1310 407.724,1311 26423,1313 16.803,1314 0.672,1315 0.55,1316 16.803,1317 13.761,1318 12.31,1319 0.424,1320 0.298,1321 8.555,1322 11.928,1323 8.418,1324 6.944,1325 12.31,1326 8.649,1327 11.135,1328 0.265,1329 0.157,1330 11.135,1331 6.606,1332 10.128,1333 0.166,1334 0.083,1335 10.128,1336 5.053,1337 9.1,1338 0.105,1339 0.044,1340 9.1,1341 3.801,1342 7.394,1343 0.065,1344 0.021,1345 7.394,1346 2.322,1347 0.305,1348 76.455,1349 0.222,1350 23.636,1351 0.597,1352 142,1353 353.538,1354 153.157,1355 353.649,1356 508.83,1357 334,1358 174,1359 403.758,1360 186.961,1361 409.707,1362 608.36,1363 388,1364 6.18}
{0 CHEMBL1242756,1 1.495,2 7.857,3 1.886,4 3.557,5 81.318,6 8.374,7 0.875,8 3.652,9 3.779,10 3.334,11 3.216,12 4.864,13 3.226,14 4.116,15 4.282,16 3.708,17 3.601,18 5.288,19 3.603,20 4.264,21 4.436,22 3.755,23 3.701,24 5.421,25 3.685,26 4.319,27 4.519,28 3.655,29 3.665,30 5.466,31 3.618,32 4.258,33 4.477,34 3.451,35 3.556,36 5.305,37 3.486,38 4.192,39 4.433,40 3.307,41 3.413,42 5.269,43 3.34,44 4.084,45 4.358,46 3.146,47 3.24,48 5.046,49 3.15,50 3.773,51 4.025,52 2.884,53 2.943,54 4.883,55 2.861,56 0.061,57 0.576,58 5.265,59 2.374,60 7.517,61 2.871,62 0.17,63 0.893,64 9.843,65 3.856,66 14.119,67 4.843,68 0.14,69 1.01,70 11.512,71 4.572,72 15.823,73 5.789,74 0.256,75 1.032,76 13.141,77 4.974,78 23.992,79 6.421,80 0.158,81 0.92,82 13.278,83 4.925,84 17.18,85 6.538,86 0.219,87 0.847,88 13.302,89 4.326,90 27.353,91 5.788,92 0.17,93 0.714,94 13.639,95 4.604,96 19.324,97 6.636,98 0.166,99 0.547,100 9.055,101 3.072,102 18.375,103 4.273,104 5,105 35,106 0.27,107 0.666,108 0.81,109 0.874,110 0.874,111 0.874,112 3.105,113 0.815,114 -3.96,115 -3.91,116 -3.71,118 45.5,123 1,138 5,139 3,141 1,142 2,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 6,170 2,171 8,172 1,173 1,175 1,178 7,180 1,181 1,182 6,188 7,191 2,192 7,194 3,195 3,197 1,199 5,201 1,204 7,208 2,211 2,213 2,214 1,215 7,220 2,223 1,225 2,227 1,228 3,233 1,237 1,239 2,240 2,242 1,243 1,245 1,249 1,264 503,265 14.43,266 14.43,267 14.43,268 14.43,269 14.43,270 11.98,271 6.325,272 8.372,273 14.73,274 11.854,275 11.854,276 11.854,277 11.854,278 11.854,279 8.209,280 5,281 3.958,282 12.342,283 3.549,284 1.357,285 0.557,286 0.205,287 0.205,288 0.205,289 3.805,292 1,293 1,294 1,295 369,296 2,299 35.554,300 133.551,303 68.728,304 74.373,307 1.129,308 14.53,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 45,320 165,321 4.741,322 3.329,323 6.987,324 4.273,325 3.305,326 4.723,328 11.875,329 3.2,330 4.392,331 2.907,332 6.213,333 3.884,334 2.903,335 4.323,337 9.294,338 2.846,339 3.79,340 2.414,341 5.873,342 3.367,343 2.4,344 3.274,346 7.985,347 2.32,348 3.648,349 2.371,350 5.501,351 3.194,352 2.26,353 3.086,355 6.773,356 2.107,357 3.118,358 1.618,359 4.532,360 2.605,361 1.618,362 2.427,364 4.491,365 1.596,366 3.079,367 1.58,368 4.367,369 2.524,370 1.579,371 2.368,373 4.105,374 1.488,375 2.865,376 1.426,377 4.327,378 2.337,379 1.378,380 2.042,382 3.66,383 1.319,384 2.712,385 1.352,386 3.66,387 2.242,388 1.296,389 1.799,391 2.992,392 1.223,393 2.462,394 1.032,395 3.583,396 1.95,397 1.01,398 1.445,400 2.472,401 0.947,402 2.137,403 0.646,404 3.163,405 1.612,406 0.643,407 0.958,409 1.519,410 0.622,411 1.102,412 -0.078,413 2.682,414 0.684,415 -0.235,416 -0.296,417 -0.556,418 -0.216,419 1.046,420 -0.373,421 2.441,422 0.572,423 -0.396,424 -0.549,425 -0.993,426 -0.384,427 0.882,428 -0.509,429 2.278,430 0.367,431 -0.618,432 -0.817,433 -1.514,434 -0.573,435 0.751,436 -0.618,437 2.242,438 0.288,439 -0.628,440 -0.927,441 -1.598,442 -0.608,443 0.447,444 -0.923,445 2,446 0.02,447 -0.952,448 -1.32,449 -2.658,450 -0.923,451 9.9,452 0.471,453 0.521,454 0.025,455 33,456 1.571,457 18.5,458 0.881,459 14.5,460 0.69,461 12.036,462 0.573,463 20.7,464 0.627,465 21.67,466 1.032,467 6.537,468 0.311,469 3.7,470 0.176,471 0.091,473 0.394,478 0.891,479 1.193,480 0.679,481 0.914,482 1.076,483 0.791,484 0.914,485 0.927,486 0.699,487 0.744,488 0.691,489 0.697,490 1.032,491 1.191,492 0.886,493 1.016,494 0.91,495 0.943,496 0.927,497 0.942,498 1.093,499 1.075,500 0.984,501 1.105,502 1.091,503 1.146,504 1.144,505 1.171,506 0.862,507 1.168,508 1.297,509 0.983,510 1.219,511 1.025,512 1.541,513 1.091,514 0.788,515 0.958,516 0.831,517 0.936,518 0.829,519 0.9,520 0.84,521 0.943,522 1.071,523 1.1,524 0.864,525 1.12,526 3.5,528 2.667,529 1.792,530 1.539,531 0.521,532 0.364,533 0.318,534 0.089,535 0.054,536 4269,537 11674,538 2.185,539 36.4,541 8,543 2,544 2,549 1.635,550 2.066,551 2.97,552 0.378,554 1,556 1,558 49.332,559 1.495,560 3.688,561 4.488,562 4.84,563 4.84,564 4.84,565 2.398,566 4.011,567 4.368,568 3.065,569 643.721,570 7.499,571 6531.4,572 1,573 1,575 1,576 166.465,577 1.342,578 4.334,579 0.146,581 0.076,582 0.05,583 0.05,584 0.021,585 0.017,586 0.018,587 0.007,588 0.009,589 0.393,590 0.67,591 1,592 0.532,593 92.426,594 -0.014,595 -0.084,596 0.051,597 -0.006,598 -0.217,599 0.026,600 0.06,601 0.152,602 0.123,603 0.174,604 0.09,605 0.162,606 -0.106,607 -0.148,608 -0.046,609 -0.084,610 -0.046,611 -0.06,612 0.079,613 0.083,614 -0.191,615 -0.143,616 -0.002,617 -0.2,618 -0.186,619 -0.191,620 -0.191,621 -0.193,622 -0.02,623 -0.193,624 -0.233,625 -0.018,626 -0.209,627 -0.071,628 -0.334,629 -0.123,630 0.133,631 -0.103,632 0.288,633 0.106,634 0.144,635 0.2,636 0.216,637 -0.012,638 -0.015,639 -0.126,640 0.247,641 -0.113,642 1.227,643 2.004,644 0.905,645 13.283,646 1.008,647 1.128,648 2.726,649 7.428,650 0.707,651 3.219,652 3.584,653 3.932,654 4.263,655 4.522,656 4.575,657 4.718,658 4.883,659 4.963,660 4.905,661 4.713,662 0.688,663 276.33,664 3.219,665 4.779,666 5.666,667 6.575,668 7.48,669 8.394,670 9.306,671 10.222,672 11.136,673 12.053,674 18.2,678 1,682 1,684 4,689 4,690 7,691 4,695 3,696 1,697 21,708 1,716 33,718 21,719 1,720 24,722 36,723 15,724 14,725 3,726 3,728 4,729 6,740 14,741 1,756 1,757 1,760 12,761 5,762 2,763 6,769 6,775 0.5,785 1,787 1,788 1,793 1,794 3,797 1,798 1,819 2,823 1,827 21,828 1,858 10.167,859 6.417,860 4.5,861 1.836,863 4.342,864 1.593,865 1.071,866 2.545,867 11.659,868 3.57,869 4.301,870 5.03,871 5.729,872 6.342,873 6.731,874 7.239,875 7.767,876 8.188,877 8.486,878 1,879 36,880 7.677,881 3.312,882 7.675,883 14.596,884 12.095,885 2.175,886 45.667,890 117.711,891 90.719,892 101.693,897 90.719,898 117.711,899 101.693,900 8.396,902 80.278,903 92.277,904 32.675,905 2.328,906 94.169,908 117.711,909 192.413,913 117.711,917 26.059,918 99.334,919 67.02,921 117.711,922 101.693,923 90.719,926 117.711,927 17.276,928 75.22,930 99.917,931 117.711,932 101.693,933 90.719,935 0.59,936 0.362,937 0.209,938 0.117,939 20,940 8,941 0.028,942 1,943 2,944 1.211,945 3.317,946 175.968,947 0.211,948 19,949 92.239,954 12.095,955 4.419,956 1.817,957 3.516,958 99.917,959 13.194,960 17.185,964 2.202,965 1.718,966 32.897,967 310.124,968 34.5,980 33.262,981 37.235,983 0.296,984 0.731,985 0.89,986 0.959,987 0.959,988 0.959,989 4.798,990 1.296,991 5.666,992 3.66,993 4.263,994 4.987,996 6.538,997 4.189,998 6.054,999 1.01,1000 7.259,1001 2.992,1002 3.892,1003 4.913,1005 7.548,1006 3.793,1007 7.396,1008 0.643,1009 8.955,1010 2.472,1011 5.905,1012 7.372,1014 10.708,1015 5.772,1016 8.781,1017 -0.235,1018 10.713,1019 1.519,1020 6.382,1021 8.166,1023 12.582,1024 6.224,1025 10.2,1026 -0.396,1027 12.511,1028 -0.556,1029 7.869,1030 10.072,1032 15.261,1033 7.681,1034 11.645,1035 -0.618,1036 14.336,1037 -0.993,1038 8.735,1039 11.273,1041 17.485,1042 8.521,1043 13.11,1044 -0.628,1045 16.182,1046 -1.514,1047 10.019,1048 12.953,1050 20.013,1051 9.775,1052 3.305,1053 -0.952,1054 18.043,1055 -1.598,1056 11.06,1057 14.34,1059 22.381,1060 10.787,1061 2.903,1062 11.875,1063 19.917,1064 -2.658,1065 12.269,1066 15.929,1068 24.862,1069 11.966,1070 2.4,1071 9.294,1072 21.8,1073 4.723,1074 13.387,1075 17.399,1077 27.289,1078 13.053,1079 2.26,1080 7.985,1081 23.692,1082 4.323,1083 14.572,1084 18.953,1086 29.759,1087 14.207,1088 1.618,1089 6.773,1090 25.59,1091 3.274,1092 15.724,1093 20.459,1095 32.211,1096 15.327,1097 1.579,1098 4.491,1099 27.495,1100 3.086,1101 16.904,1102 22.001,1104 34.679,1105 16.475,1106 1.378,1107 4.105,1108 29.404,1109 2.427,1110 18.073,1111 23.524,1113 37.143,1114 17.611,1115 4006,1116 6739,1117 16.414,1118 23.318,1119 37.137,1120 36.685,1121 38.075,1122 36.809,1123 36.784,1124 52.893,1126 110.336,1127 35.335,1128 5.402,1129 5.329,1130 6.674,1131 5.345,1132 5.305,1133 7.723,1135 19.209,1136 5.2,1137 7.616,1138 1.547,1139 1.529,1140 1.586,1141 1.534,1142 1.533,1143 2.204,1145 4.597,1146 1.472,1147 4.149,1148 4.19,1149 4.128,1150 4.048,1151 5.26,1152 4.06,1153 3.981,1154 4.022,1155 3.949,1156 3.846,1157 4.997,1158 3.87,1159 3.456,1160 3.515,1161 3.384,1162 3.349,1163 4.857,1164 3.348,1165 3.373,1166 3.459,1167 3.27,1168 3.089,1169 4.527,1170 3.121,1171 3.047,1172 3.117,1173 2.948,1174 2.904,1175 4.295,1176 2.906,1177 2.953,1178 3.059,1179 2.841,1180 2.766,1181 3.957,1182 2.771,1183 2.879,1184 2.972,1185 2.669,1186 2.581,1187 3.739,1188 2.597,1189 2.587,1190 2.648,1191 2.457,1192 2.459,1193 3.602,1194 2.453,1195 0.198,1196 0.139,1197 0.291,1198 0.178,1199 0.138,1200 4.741,1201 0.197,1202 3.329,1204 6.987,1205 0.495,1206 4.273,1207 0.133,1208 3.305,1209 4.723,1211 11.875,1212 3.2,1213 2.045,1214 2.023,1215 2.116,1216 2.123,1217 1.236,1218 2.123,1219 1.808,1220 1.767,1221 1.865,1222 1.999,1223 0.954,1224 1.963,1225 1.523,1226 1.467,1227 1.689,1228 1.756,1229 0.734,1230 1.734,1231 1.341,1232 1.263,1233 1.573,1234 1.543,1235 0.591,1236 1.558,1237 1.025,1238 0.966,1239 1.223,1240 1.247,1241 0.253,1242 1.244,1243 0.903,1244 0.838,1245 1.174,1246 1.196,1247 0.137,1248 1.204,1249 0.801,1250 0.688,1251 1.058,1252 1.059,1254 1.067,1255 0.601,1256 0.526,1257 0.838,1258 0.877,1260 0.88,1261 3.892,1263 5.242,1264 2.398,1265 6.804,1266 4.844,1267 8.461,1268 7.05,1269 10.166,1271 1.848,1275 6.004,1289 22.709,1290 49.332,1291 121.694,1292 148.1,1293 159.71,1294 159.71,1295 159.71,1296 21.986,1297 7.317,1298 82.51,1299 82.51,1300 23,1301 12.564,1302 4.459,1303 3.524,1304 27.899,1305 59,1306 56,1307 0.238,1308 139.501,1309 217.26,1310 332.143,1311 13881,1313 14.397,1314 0.686,1315 0.541,1316 14.397,1317 11.355,1318 10.237,1319 0.427,1320 0.272,1321 6.421,1322 9.834,1323 6.261,1324 5.203,1325 10.237,1326 6.522,1327 9.404,1328 0.269,1329 0.138,1330 9.404,1331 4.841,1332 8.403,1333 0.168,1334 0.071,1335 8.403,1336 3.526,1337 7.452,1338 0.106,1339 0.036,1340 7.452,1341 2.534,1342 6.339,1343 0.07,1344 0.019,1345 6.339,1346 1.745,1347 0.357,1348 64.142,1349 0.247,1350 20.264,1351 0.704,1352 118,1353 329.538,1354 128.491,1355 329.434,1356 469.37,1357 310,1358 144,1359 369.054,1360 155.796,1361 376.275,1362 553.18,1363 354,1364 5}
{0 CHEMBL1242757,1 1.471,2 6.636,3 2.72,4 7.396,5 87.65,6 7.694,7 0.8,8 3.772,9 3.911,10 3.381,11 3.307,12 4.91,13 3.302,14 4.272,15 4.453,16 3.776,17 3.711,18 5.345,19 3.693,20 4.462,21 4.671,22 3.82,23 3.812,24 5.501,25 3.777,26 4.54,27 4.762,28 3.843,29 3.847,30 5.627,31 3.799,32 4.506,33 4.726,34 3.693,35 3.798,36 5.513,37 3.73,38 4.446,39 4.656,40 3.672,41 3.743,42 5.518,43 3.678,44 4.529,45 4.793,46 3.387,47 3.653,48 5.549,49 3.526,50 4.378,51 4.696,52 2.7,53 3.369,54 5.137,55 3.131,56 0.055,57 0.647,58 7.452,59 2.907,60 9.191,61 3.963,62 0.141,63 1.017,64 13.597,65 5.008,66 16.164,67 7.04,68 0.167,69 1.171,70 17.448,71 5.737,72 17.517,73 8.327,74 0.275,75 1.244,76 19.358,77 6.421,78 29.77,79 9.286,80 0.209,81 1.179,82 18.551,83 5.968,84 23.389,85 8.663,86 0.14,87 1.123,88 17.043,89 5.79,90 21.866,91 8.389,92 0.314,93 1.099,94 20.726,95 6.23,96 40.555,97 9.293,98 0.202,99 0.804,100 19.797,101 6.553,102 30.17,103 9.972,104 11,105 37,106 0.259,107 0.675,108 0.788,109 0.825,110 0.835,111 0.835,112 3.15,113 0.866,114 -4.28,115 -4.22,116 -3.98,118 42.1,119 2,126 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 7,172 1,173 1,175 4,178 7,180 1,181 1,182 5,186 2,188 6,191 2,192 8,194 3,195 3,197 2,199 5,201 1,204 7,206 1,208 3,211 3,213 2,215 7,218 1,220 4,223 4,225 4,228 2,231 2,232 1,233 1,234 1,235 4,237 1,245 2,247 2,264 584,265 14.983,266 14.983,267 14.983,268 14.983,269 14.983,270 12.719,271 9.487,272 8.624,273 15.307,274 12.338,275 12.338,276 12.338,277 12.338,278 12.338,279 8.879,280 7.5,281 4.028,282 12.854,283 3.777,284 1.419,285 0.777,286 0.566,287 0.513,288 0.513,289 3.844,292 1,293 1,294 1,295 321,296 2.646,299 74.922,300 93.555,303 141.687,307 0.975,308 14.85,309 1,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 47,320 146,321 4.789,322 3.397,323 7.083,324 4.335,325 3.366,326 4.771,328 12.259,329 3.266,330 4.468,331 3.021,332 6.573,333 3.977,334 3.001,335 4.409,337 10.378,338 2.922,339 3.811,340 2.644,341 6.02,342 3.476,343 2.524,344 3.218,346 8.299,347 2.401,348 3.654,349 2.27,350 5.584,351 3.206,352 2.25,353 3.103,355 7.079,356 2.15,357 3.056,358 1.82,359 4.822,360 2.684,361 1.743,362 2.331,364 4.82,365 1.636,366 3.043,367 1.553,368 4.647,369 2.545,370 1.553,371 2.31,373 4.444,374 1.543,375 3.008,376 1.539,377 4.072,378 2.484,379 1.539,380 2.133,382 3.577,383 1.448,384 2.576,385 1.109,386 3.857,387 2.045,388 1.106,389 1.61,391 2.805,392 1.036,393 2.5,394 1,395 3.513,396 1.97,397 1,398 1.5,400 2.234,401 0.968,402 2.165,403 0.875,404 3.4,405 1.816,406 0.849,407 1.079,409 2.138,410 0.819,411 1.915,412 0.451,413 3.14,414 1.402,415 0.44,416 0.644,417 1.133,418 0.423,419 1.065,420 -0.152,421 2.563,422 0.637,423 -0.283,424 -0.361,425 -0.663,426 -0.26,427 0.934,428 -0.503,429 2.42,430 0.468,431 -0.505,432 -0.704,433 -1.318,434 -0.491,435 0.606,436 -0.793,437 2.274,438 0.091,439 -0.843,440 -1,441 -2,442 -0.784,443 0.5,444 -1,445 2.24,447 -1,448 -1.143,449 -2.347,450 -0.982,451 10.4,452 0.473,453 0.593,454 0.027,455 31.5,456 1.432,457 16.5,458 0.75,459 15,460 0.682,461 15.921,462 0.724,463 22.6,464 0.595,465 21.198,466 0.964,467 6.053,468 0.275,469 4.612,470 0.21,471 0.135,473 0.423,478 0.962,479 1.234,480 0.764,481 0.96,482 1.12,483 0.855,484 0.8,485 1.088,486 0.701,487 0.89,488 0.619,489 0.8,490 1.133,491 1.13,492 0.872,493 0.911,494 0.817,495 0.862,496 0.937,497 0.962,498 0.9,499 0.921,500 0.912,501 0.907,502 1.295,503 1.098,504 1.162,505 1.064,506 1.13,507 1.088,508 1.112,509 1.326,510 1.11,511 1.239,512 1.132,513 1.186,514 1.28,515 0.926,516 1.327,517 1.106,518 1.65,519 1.203,520 0.836,521 0.817,522 1.152,523 1.091,524 1.008,525 1.155,526 3.5,528 2.889,529 2.042,530 1.477,531 0.851,532 0.511,533 0.29,534 0.113,536 4391,537 10817,538 2.148,539 42.1,541 5,542 1,543 1,544 3,546 6,549 1.655,550 2,551 2.796,552 1.069,553 1,554 1,556 1,558 55.911,559 1.471,560 3.829,561 4.471,562 4.682,563 4.735,564 4.735,565 2.117,566 4.187,567 4.435,568 2.908,569 671.717,570 7.668,571 7131.13,572 1,573 1,574 1,575 1,576 199.421,577 1.437,578 4.388,579 0.14,581 0.078,582 0.054,583 0.039,584 0.027,585 0.016,586 0.014,587 0.013,589 0.38,590 0.5,591 1,592 0.797,593 97.242,594 -0.015,595 -0.053,596 0.053,597 0.019,598 -0.195,599 0.042,600 0.165,601 0.014,602 0.181,603 0.088,604 0.167,605 0.128,606 -0.096,607 -0.069,608 0.053,609 0.046,610 0.033,611 0.067,612 0.131,613 0.084,614 0.044,615 0.029,616 0.132,617 0.025,618 -0.236,619 -0.051,620 -0.229,621 -0.118,622 -0.191,623 -0.163,624 -0.114,625 -0.284,626 -0.19,627 -0.281,628 -0.041,629 -0.253,630 -0.165,631 0.042,632 -0.325,633 -0.175,634 -0.28,635 -0.257,636 -0.055,637 -0.031,638 -0.087,639 -0.067,640 -0.114,641 -0.079,642 1.209,643 2.115,644 0.818,645 13.264,646 1.001,647 1.133,648 3.051,649 9.306,650 0.68,651 3.258,652 3.638,653 4.007,654 4.369,655 4.605,656 4.771,657 4.905,658 5.017,659 4.977,660 5.004,661 4.484,662 0.652,663 292.38,664 3.258,665 4.828,666 5.727,667 6.65,668 7.571,669 8.502,670 9.43,671 10.364,672 11.294,673 12.229,674 15.8,678 1,682 2,684 3,689 4,690 6,691 3,692 1,695 3,696 1,697 20,708 1,716 38,718 20,719 1,720 25,722 41,723 16,724 13,725 3,726 3,728 4,729 6,732 2,738 1,740 13,741 3,756 1,757 1,760 16,761 4,762 3,763 6,769 6,775 0.5,785 1,788 1,789 1,793 2,794 2,797 2,819 2,823 2,827 22,828 1,837 1,858 11,859 7.467,860 4.722,861 2.294,863 4.065,864 1.552,865 1.051,866 2.91,867 11.423,868 3.584,869 4.311,870 5.061,871 5.787,872 6.353,873 6.826,874 7.326,875 7.812,876 8.081,877 8.495,878 1,879 38,880 8.075,881 3.487,882 7.614,883 15.517,884 13.019,885 2.114,886 46.5,890 153.024,891 90.497,892 101.693,897 90.497,898 153.024,899 101.693,900 17.65,902 79.85,903 63.72,904 38.269,905 16.243,906 129.482,908 153.024,909 192.19,913 82.398,914 70.627,917 49.303,918 92.653,919 50.234,921 153.024,922 101.693,923 90.497,926 153.024,927 17.276,928 74.998,929 16.786,930 83.131,931 153.024,932 101.693,933 90.497,935 0.592,936 0.365,937 0.216,938 0.118,939 21,940 9,941 0.049,942 2,943 2,944 1.222,945 3.302,946 192.213,947 0.222,948 18,949 96.107,954 13.286,955 4.818,956 1.934,957 3.76,958 83.131,959 11.559,960 13.288,961 3.225,964 2.316,965 1.897,966 49.683,967 345.215,968 35,980 38.029,981 43.066,983 0.28,984 0.73,985 0.852,986 0.892,987 0.902,988 0.902,989 4.828,990 1.106,991 5.74,992 3.577,993 4.317,994 4.997,996 6.645,997 4.242,998 6.086,999 1,1000 7.354,1001 2.805,1002 4.007,1003 4.956,1005 7.732,1006 3.908,1007 7.433,1008 0.849,1009 9.074,1010 2.234,1011 5.989,1012 7.388,1014 10.91,1015 5.849,1016 8.827,1017 0.44,1018 10.856,1019 2.138,1020 6.538,1021 8.243,1023 12.847,1024 6.377,1025 10.258,1026 -0.283,1027 12.678,1028 1.133,1029 7.999,1030 10.12,1032 15.549,1033 7.805,1034 11.716,1035 -0.505,1036 14.526,1037 -0.663,1038 8.92,1039 11.371,1041 17.814,1042 8.701,1043 13.195,1044 -0.843,1045 16.394,1046 -1.318,1047 10.196,1048 13.038,1050 20.367,1051 9.948,1052 3.366,1053 -1,1054 18.276,1055 -2,1056 11.274,1057 14.459,1059 22.764,1060 10.999,1061 3.001,1062 12.259,1063 20.169,1064 -2.347,1065 12.488,1066 16.047,1068 25.27,1069 12.185,1070 2.524,1071 10.378,1072 22.07,1073 4.771,1074 13.633,1075 17.539,1077 27.722,1078 13.301,1079 2.25,1080 8.299,1081 23.979,1082 4.409,1083 14.829,1084 19.098,1086 30.217,1087 14.469,1088 1.743,1089 7.079,1090 25.893,1091 3.218,1092 16.003,1093 20.621,1095 32.693,1096 15.613,1097 1.553,1098 4.82,1099 27.812,1100 3.103,1101 17.197,1102 22.17,1104 35.187,1105 16.778,1106 1.539,1107 4.444,1108 29.735,1109 2.331,1110 18.384,1111 23.706,1113 37.675,1114 17.936,1115 4205,1116 6723,1117 16.819,1118 25.841,1119 39.173,1120 38.652,1121 40.302,1122 38.762,1123 38.742,1124 54.217,1126 118.329,1127 37.224,1128 5.471,1129 5.397,1130 6.638,1131 5.408,1132 5.366,1133 7.771,1135 19.954,1136 5.266,1137 9.668,1138 1.567,1139 1.546,1140 1.612,1141 1.55,1142 1.55,1143 2.169,1145 4.733,1146 1.489,1147 4.184,1148 4.224,1149 4.16,1150 4.083,1151 5.258,1152 4.095,1153 4.006,1154 4.056,1155 3.973,1156 3.85,1157 4.981,1158 3.878,1159 3.577,1160 3.655,1161 3.445,1162 3.409,1163 4.838,1164 3.401,1165 3.404,1166 3.464,1167 3.308,1168 3.27,1169 4.507,1170 3.271,1171 3.196,1172 3.278,1173 3.097,1174 2.999,1175 4.28,1176 3.02,1177 3.006,1178 3.115,1179 2.885,1180 2.708,1181 4.07,1182 2.744,1183 2.874,1184 3.009,1185 2.717,1186 2.635,1187 3.738,1188 2.65,1189 2.832,1190 2.909,1191 2.499,1192 2.618,1193 3.594,1194 2.57,1195 0.192,1196 0.136,1197 0.283,1198 0.173,1199 0.135,1200 4.789,1201 0.191,1202 3.397,1204 7.083,1205 0.49,1206 4.335,1207 0.131,1208 3.366,1209 4.771,1211 12.259,1212 3.266,1213 1.97,1214 1.951,1215 2.035,1216 2.051,1217 1.202,1218 2.044,1219 1.806,1220 1.758,1221 1.947,1222 2.003,1223 1.142,1224 1.983,1225 1.619,1226 1.554,1227 1.782,1228 1.825,1229 0.853,1230 1.823,1231 1.48,1232 1.418,1233 1.653,1234 1.691,1235 0.656,1236 1.687,1237 1.12,1238 1.057,1239 1.417,1240 1.391,1241 0.469,1242 1.364,1243 1.013,1244 0.952,1245 1.254,1246 1.239,1247 0.307,1248 1.308,1249 0.934,1250 0.804,1251 1.223,1252 1.205,1253 0.245,1254 1.21,1255 0.857,1256 0.763,1257 1.136,1258 1.186,1259 0.036,1260 1.19,1261 3.932,1263 5.293,1264 3.045,1265 6.858,1266 5.416,1267 8.52,1268 7.564,1269 10.236,1271 4.15,1275 6.115,1281 0.191,1289 24.762,1290 55.911,1291 145.505,1292 169.911,1293 177.911,1294 179.911,1295 179.911,1296 25.625,1297 7.358,1298 85.41,1299 85.41,1300 22,1301 12.728,1302 4.392,1303 3.459,1304 29.55,1305 58,1306 49,1307 0.256,1308 152.021,1309 237.2,1310 362.691,1311 13956,1313 15.267,1314 0.694,1315 0.564,1316 15.267,1317 12.408,1318 10.665,1319 0.427,1320 0.289,1321 7.12,1322 10.271,1323 6.906,1324 5.767,1325 10.665,1326 7.217,1327 9.906,1328 0.268,1329 0.151,1330 9.906,1331 5.589,1332 8.723,1333 0.162,1334 0.071,1335 8.723,1336 3.857,1337 7.943,1338 0.102,1339 0.036,1340 7.943,1341 2.836,1342 6.36,1343 0.064,1344 0.019,1345 6.36,1346 1.88,1347 0.376,1348 66.585,1349 0.244,1350 20.768,1351 0.793,1352 124,1353 320.226,1354 135.157,1355 320.68,1356 462.03,1357 302,1358 153,1359 370.265,1360 165.462,1361 375.625,1362 557.62,1363 355,1364 5.538}
{0 CHEMBL1242758,1 1.449,2 7.25,3 3.395,4 11.529,5 94.896,6 7.581,7 0.714,8 3.878,9 4.014,10 3.484,11 3.436,12 4.949,13 3.424,14 4.422,15 4.595,16 3.88,17 3.879,18 5.423,19 3.843,20 4.672,21 4.908,22 3.888,23 3.952,24 5.586,25 3.885,26 4.65,27 4.886,28 3.933,29 3.929,30 5.674,31 3.882,32 4.596,33 4.808,34 3.844,35 3.919,36 5.59,37 3.863,38 4.58,39 4.786,40 3.826,41 3.91,42 5.592,43 3.847,44 4.65,45 4.889,46 3.655,47 3.864,48 5.64,49 3.755,50 4.607,51 4.903,52 3.106,53 3.682,54 5.38,55 3.48,56 0.059,57 0.712,58 8.477,59 3.399,60 9,61 4.632,62 0.139,63 1.169,64 15.809,65 6.19,66 16.216,67 8.619,68 0.182,69 1.37,70 22.906,71 7.793,72 21.251,73 11.469,74 0.318,75 1.372,76 22.529,77 7.137,78 32.584,79 10.495,80 0.227,81 1.32,82 20.319,83 6.448,84 26.223,85 9.35,86 0.18,87 1.3,88 19.691,89 6.663,90 23.911,91 9.597,92 0.271,93 1.309,94 22.428,95 7.428,96 35.383,97 10.842,98 0.261,99 1.094,100 23.844,101 7.9,102 35.445,103 11.809,104 2,105 41,106 0.249,107 0.646,108 0.765,109 0.83,110 0.838,111 0.838,112 3.231,113 0.898,114 -4.76,115 -4.67,116 -4.39,118 42.9,120 4,126 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,156 1,158 1,159 1,160 1,161 1,167 8,170 2,171 7,172 1,173 1,175 4,178 9,180 1,181 1,182 7,186 2,188 6,191 2,192 10,194 3,195 3,197 2,199 5,201 1,204 9,206 1,208 3,211 5,213 2,215 7,218 1,220 4,223 6,225 4,228 4,231 2,232 1,233 3,234 1,235 8,237 3,245 2,247 6,257 2,260 2,264 742,265 16.845,266 16.845,267 16.845,268 16.845,269 16.845,270 14.581,271 9.487,272 9.844,273 17.152,274 13.858,275 13.858,276 13.858,277 13.858,278 13.858,279 10.413,280 7.5,281 4.643,282 14.363,283 3.944,284 1.638,285 0.952,286 0.571,287 0.524,288 0.524,289 3.945,292 1,293 1,294 1,295 397,296 2.121,299 130.725,300 102.39,303 154.335,307 1.104,308 15.928,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 51,320 174,321 4.792,322 3.408,323 7.092,324 4.342,325 3.374,326 4.772,328 12.304,329 3.271,330 4.471,331 3.037,332 6.588,333 3.989,334 3.013,335 4.409,337 10.453,338 2.935,339 3.877,340 2.744,341 6.138,342 3.619,343 2.652,344 3.247,346 8.844,347 2.564,348 3.655,349 2.271,350 5.602,351 3.207,352 2.25,353 3.105,355 7.149,356 2.151,357 3.239,358 2.032,359 5.079,360 2.947,361 1.993,362 2.366,364 5.689,365 1.897,366 3.053,367 1.554,368 4.65,369 2.545,370 1.554,371 2.329,373 4.453,374 1.543,375 3.039,376 1.541,377 4.237,378 2.484,379 1.54,380 2.306,382 3.586,383 1.448,384 2.644,385 1.41,386 4.063,387 2.308,388 1.345,389 1.697,391 3.524,392 1.292,393 2.509,394 1.103,395 3.678,396 2.029,397 1.094,398 1.512,400 2.659,401 1.021,402 2.5,403 1,404 3.403,405 1.969,406 1,407 1.5,409 2.23,410 0.967,411 1.957,412 0.719,413 3.257,414 1.686,415 0.705,416 0.822,417 1.794,418 0.691,419 1.835,420 0.618,421 3.138,422 1.618,423 0.618,424 0.631,425 1.372,426 0.618,427 1.618,428 0.449,429 3,430 1.4,431 0.437,432 0.618,433 1.128,434 0.42,435 1.064,436 -0.151,437 2.563,438 0.639,439 -0.282,440 -0.359,441 -0.661,442 -0.258,443 0.934,444 -0.502,445 2.458,446 0.469,447 -0.504,448 -0.702,449 -1.317,450 -0.491,451 11.4,452 0.475,453 0.518,454 0.022,455 33,456 1.375,457 16.5,458 0.688,459 16.5,460 0.688,461 18.603,462 0.775,463 24.6,464 0.586,465 21.793,466 0.908,467 6.027,468 0.251,469 5.799,470 0.242,471 0.035,473 0.386,478 0.935,479 1.187,480 0.764,481 0.941,482 0.972,483 0.849,484 0.772,485 1.136,486 0.823,487 1.027,488 0.593,489 0.949,490 0.961,491 1.141,492 0.853,493 0.977,494 0.688,495 0.913,496 1.029,497 0.908,498 0.823,499 0.788,500 0.898,501 0.779,502 1.42,503 1.093,504 1.126,505 0.986,506 1.254,507 1.01,508 1.242,509 1.222,510 1.12,511 1.13,512 1.307,513 1.112,514 1.164,515 1.093,516 1.26,517 1.202,518 1.506,519 1.236,520 1.104,521 0.81,522 1.271,523 1.07,524 1.423,525 1.171,526 3,528 2.889,529 1.819,530 1.317,531 0.82,532 0.496,533 0.283,534 0.07,535 0.007,536 6063,537 13477,538 2.262,539 42.9,540 4,541 5,542 1,543 1,544 3,546 4,549 1.679,550 2.182,551 2.905,552 0.998,553 1,554 1,556 1,558 60.85,559 1.449,560 3.754,561 4.44,562 4.821,563 4.869,564 4.869,565 2.277,566 4.22,567 4.56,568 3.033,569 837.167,570 7.918,571 9398.66,572 1,573 1,575 1,576 226.477,577 1.175,578 4.543,579 0.107,581 0.07,582 0.045,583 0.031,584 0.022,585 0.013,586 0.01,587 0.005,588 0.001,589 0.305,590 0.33,591 0.88,592 0.382,593 109.83,594 0.003,595 -0.012,596 0.064,597 0.044,598 -0.038,599 0.059,600 0.144,601 -0.036,602 0.052,603 -0.037,604 0.166,605 -0.011,606 0.018,607 -0.147,608 0.112,609 -0.001,610 0.145,611 0.056,612 0.144,613 0.131,614 0.156,615 0.147,616 0.18,617 0.152,618 -0.257,619 -0.01,620 -0.189,621 -0.056,622 -0.221,623 -0.103,624 -0.173,625 -0.153,626 -0.196,627 -0.18,628 -0.161,629 -0.19,630 -0.094,631 -0.084,632 -0.294,633 -0.254,634 -0.177,635 -0.293,636 -0.218,637 0.06,638 -0.242,639 -0.075,640 -0.336,641 -0.147,642 1.174,643 2.214,644 0.958,645 16.09,646 0.998,647 1.131,648 3.531,649 12.47,650 0.681,651 3.367,652 3.738,653 4.127,654 4.5,655 4.718,656 4.927,657 5.13,658 5.293,659 5.333,660 5.371,661 4.805,662 0.65,663 318.42,664 3.367,665 4.934,666 5.838,667 6.758,668 7.68,669 8.61,670 9.54,671 10.474,672 11.407,673 12.343,674 14.3,678 1,682 2,684 3,689 4,690 6,691 3,692 1,695 3,696 1,697 20,708 1,716 42,718 20,719 1,720 28,722 46,723 18,724 13,725 3,726 3,728 5,729 7,735 5,738 5,740 13,741 5,756 1,757 1,760 18,761 4,762 3,763 6,769 6,775 0.6,785 1,788 1,789 1,793 3,794 2,797 2,819 3,827 24,828 1,833 4,837 1,858 11,859 7.467,860 5.139,861 2.711,863 4.012,864 1.519,865 1.084,866 3.101,867 11.748,868 3.664,869 4.363,870 5.104,871 5.826,872 6.39,873 6.88,874 7.404,875 7.901,876 8.201,877 8.614,878 0.8,879 40,880 8.861,881 3.923,882 7.521,883 17.368,884 15.208,885 2.021,886 48.5,889 1,890 176.567,891 82.985,892 101.693,897 82.985,898 176.567,899 101.693,901 10.138,902 79.85,903 63.72,904 38.269,905 16.243,906 153.024,908 176.567,909 184.678,913 129.482,914 47.084,917 41.791,918 92.653,919 50.234,921 176.567,922 101.693,923 82.985,926 176.567,927 27.414,928 57.348,929 16.786,930 83.131,931 176.567,932 101.693,933 82.985,935 0.586,936 0.365,937 0.22,938 0.113,939 24,940 9,941 0.043,942 2,943 2,944 1.174,945 3.584,946 222.557,947 0.174,948 23,949 106.039,954 13.996,955 5.317,956 2.083,957 3.931,958 83.131,959 11.744,960 13.661,961 3.257,964 2.434,965 2.071,966 49.683,967 361.245,968 38,980 41.912,981 47.481,983 0.269,984 0.696,985 0.823,986 0.894,987 0.903,988 0.903,989 4.913,990 1.345,991 5.832,992 3.586,993 4.419,994 5.05,996 6.727,997 4.351,998 6.145,999 1.094,1000 7.433,1001 3.524,1002 4.007,1003 4.956,1005 7.784,1006 3.908,1007 7.483,1008 1,1009 9.142,1010 2.659,1011 6.075,1012 7.41,1014 10.976,1015 5.946,1016 8.869,1017 0.705,1018 10.916,1019 2.23,1020 6.581,1021 8.251,1023 12.906,1024 6.423,1025 10.295,1026 0.618,1027 12.733,1028 1.794,1029 8.07,1030 10.129,1032 15.609,1033 7.883,1034 11.748,1035 0.437,1036 14.579,1037 1.372,1038 8.971,1039 11.376,1041 17.871,1042 8.756,1043 13.224,1044 -0.282,1045 16.444,1046 1.128,1047 10.256,1048 13.043,1050 20.424,1051 10.012,1052 3.374,1053 -0.504,1054 18.325,1055 -0.661,1056 11.325,1057 14.463,1059 22.82,1060 11.052,1061 3.013,1062 12.304,1063 20.216,1064 -1.317,1065 12.542,1066 16.05,1068 25.327,1069 12.24,1070 2.652,1071 10.453,1072 22.117,1073 4.772,1074 13.682,1075 17.542,1077 27.779,1078 13.35,1079 2.25,1080 8.844,1081 24.024,1082 4.409,1083 14.879,1084 19.101,1086 30.275,1087 14.517,1088 1.993,1089 7.149,1090 25.938,1091 3.247,1092 16.051,1093 20.623,1095 32.752,1096 15.658,1097 1.554,1098 5.689,1099 27.856,1100 3.105,1101 17.246,1102 22.172,1104 35.247,1105 16.822,1106 1.54,1107 4.453,1108 29.779,1109 2.366,1110 18.432,1111 23.709,1113 37.737,1114 17.978,1115 5543,1116 8409,1117 19.592,1118 28.603,1119 43.093,1120 43.029,1121 43.707,1122 43.218,1123 43.151,1124 58.624,1126 130.373,1127 41.637,1128 5.694,1129 5.408,1130 6.687,1131 5.417,1132 5.374,1133 7.772,1135 20.024,1136 5.271,1137 5.809,1138 1.539,1139 1.537,1140 1.561,1141 1.543,1142 1.541,1143 2.094,1145 4.656,1146 1.487,1147 4.191,1148 4.231,1149 4.165,1150 4.086,1151 5.258,1152 4.099,1153 4.019,1154 4.068,1155 3.979,1156 3.874,1157 4.981,1158 3.895,1159 3.79,1160 3.849,1161 3.665,1162 3.672,1163 4.836,1164 3.664,1165 3.406,1166 3.468,1167 3.319,1168 3.27,1169 4.505,1170 3.271,1171 3.271,1172 3.358,1173 3.189,1174 3.023,1175 4.284,1176 3.056,1177 3.04,1178 3.126,1179 2.947,1180 2.84,1181 4.164,1182 2.858,1183 2.881,1184 2.979,1185 2.742,1186 2.671,1187 3.759,1188 2.653,1189 2.869,1190 2.976,1191 2.583,1192 2.635,1193 3.596,1194 2.635,1195 0.171,1196 0.122,1197 0.253,1198 0.155,1199 0.12,1200 4.792,1201 0.17,1202 3.408,1204 7.092,1205 0.439,1206 4.342,1207 0.117,1208 3.374,1209 4.772,1211 12.304,1212 3.271,1213 1.97,1214 1.951,1215 2.035,1216 2.05,1217 1.244,1218 2.043,1219 1.8,1220 1.754,1221 1.894,1222 1.991,1223 1.211,1224 1.964,1225 1.596,1226 1.537,1227 1.86,1228 1.798,1229 1.198,1230 1.793,1231 1.577,1232 1.507,1233 1.759,1234 1.751,1235 0.864,1236 1.789,1237 1.478,1238 1.417,1239 1.652,1240 1.686,1241 0.656,1242 1.683,1243 1.115,1244 1.055,1245 1.249,1246 1.37,1247 0.312,1248 1.348,1249 1.013,1250 0.952,1251 1.222,1252 1.204,1253 0.262,1254 1.21,1255 0.857,1256 0.765,1257 1.136,1258 1.186,1259 0.094,1260 1.19,1261 4.043,1263 5.398,1264 3.434,1265 6.954,1266 5.733,1267 8.608,1268 7.811,1269 10.318,1275 6.214,1277 4.785,1281 0.404,1289 27.289,1290 60.85,1291 157.683,1292 186.477,1293 202.477,1294 204.477,1295 204.477,1296 27.886,1297 7.736,1298 85.41,1299 85.41,1300 27,1301 12.842,1302 4.392,1303 3.459,1304 29.982,1305 68,1306 61,1307 0.219,1308 163.812,1309 259.44,1310 391.462,1311 22480,1313 16.096,1314 0.671,1315 0.552,1316 16.096,1317 13.236,1318 11.826,1319 0.422,1320 0.299,1321 8.282,1322 11.441,1323 8.162,1324 6.724,1325 11.826,1326 8.379,1327 10.707,1328 0.261,1329 0.157,1330 10.707,1331 6.433,1332 9.872,1333 0.162,1334 0.083,1335 9.872,1336 5.039,1337 9.104,1338 0.102,1339 0.044,1340 9.104,1341 3.879,1342 6.989,1343 0.063,1344 0.02,1345 6.989,1346 2.271,1347 0.324,1348 73.556,1349 0.226,1350 22.536,1351 0.668,1352 138,1353 334.226,1354 149.157,1355 334.201,1356 484.19,1357 316,1358 171,1359 388.265,1360 183.795,1361 392.896,1362 586.5,1363 373,1364 5.796}
{0 CHEMBL1242844,1 1.693,2 9.12,3 1.791,4 3.207,5 94.281,6 7.782,7 0.571,8 3.92,9 4.053,10 3.515,11 3.402,12 5.078,13 3.41,14 4.454,15 4.635,16 3.894,17 3.821,18 5.567,19 3.805,20 4.742,21 4.967,22 3.969,23 3.946,24 5.905,25 3.9,26 4.783,27 5.042,28 3.879,29 3.895,30 5.825,31 3.833,32 4.668,33 4.921,34 3.821,35 3.832,36 5.691,37 3.784,38 4.596,39 4.807,40 3.846,41 3.84,42 5.756,43 3.801,44 4.638,45 4.864,46 3.778,47 3.816,48 5.805,49 3.743,50 4.598,51 4.843,52 3.535,53 3.667,54 5.797,55 3.564,56 0.126,57 0.786,58 8.763,59 3.581,60 14.927,61 4.708,62 0.261,63 1.246,64 16.543,65 6.168,66 25.38,67 8.453,68 0.514,69 1.464,70 24.964,71 8.068,72 70.473,73 11.657,74 0.576,75 1.41,76 27.655,77 8.052,78 62.104,79 11.968,80 0.494,81 1.262,82 24.005,83 6.43,84 44.281,85 10.148,86 0.457,87 1.295,88 20.421,89 6.11,90 45.327,91 9.03,92 0.492,93 1.284,94 22.301,95 7.431,96 54.291,97 10.758,98 0.561,99 1.171,100 22.819,101 6.97,102 80.871,103 10.15,104 10,105 40,106 0.293,107 0.691,108 0.81,109 0.85,110 0.85,111 0.85,112 3.268,113 0.889,114 -4.5,115 -4.42,116 -4.17,118 38.6,120 2,121 1,124 3,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 5,170 2,171 6,172 1,173 1,175 4,178 4,180 1,181 1,182 6,186 3,188 3,191 2,192 8,194 3,195 3,197 2,199 2,201 1,204 7,206 2,208 3,211 3,213 2,215 3,218 2,220 2,223 4,225 2,228 2,231 3,232 1,233 3,234 1,235 5,237 2,245 2,247 2,255 1,256 1,257 4,259 1,264 865,265 16.999,266 16.999,267 16.999,268 16.999,269 16.999,270 15.039,271 16.772,272 9.976,273 17.397,274 13.827,275 13.827,276 13.827,277 13.827,278 13.827,279 10.889,280 13.729,281 4.758,282 14.509,283 3.766,284 1.462,285 0.779,286 0.545,287 0.545,288 0.545,289 3.966,292 1,293 1,294 1,295 498,296 2.345,299 48.484,300 201.759,303 93.016,307 1.344,308 32.136,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 55.5,320 228,321 4.747,322 3.355,323 7.003,324 4.283,325 3.318,326 4.724,327 0.4,328 11.965,329 3.204,330 4.212,331 3.156,332 6.087,333 3.774,334 2.819,335 3.878,337 8.784,338 2.687,339 3.765,340 2.664,341 5.824,342 3.55,343 2.574,344 3.156,346 7.872,347 2.514,348 3.678,349 2.457,350 5.611,351 3.279,352 2.329,353 3.083,355 7.261,356 2.196,357 3.416,358 2.309,359 5.266,360 3.155,361 2.211,362 2.471,364 6.509,365 2.082,366 2.999,367 1.87,368 4.471,369 2.461,370 1.532,371 2.236,373 4.169,374 1.42,375 2.82,376 1.751,377 4.432,378 2.437,379 1.497,380 1.948,382 3.949,383 1.403,384 2.748,385 1.534,386 4.038,387 2.365,388 1.414,389 1.829,391 3.512,392 1.333,393 2.493,394 1.365,395 3.691,396 2.186,397 1.24,398 1.491,400 2.989,401 1.169,402 2.365,403 1.077,404 3.557,405 1.984,406 1.011,407 1.344,409 2.508,410 0.983,411 2,412 1.077,413 3.247,414 1.94,415 1,416 1,417 2.136,418 0.935,419 1.373,420 0.59,421 2.841,422 0.998,423 0.109,424 0.131,425 0.241,426 0.094,427 1.163,428 0.093,429 2.736,430 0.914,431 -0.037,432 -0.042,433 -0.099,434 -0.035,435 0.961,436 -0.201,437 2.411,438 0.587,439 -0.333,440 -0.413,441 -0.773,442 -0.306,443 0.778,444 -0.298,445 2.375,446 0.353,447 -0.595,448 -0.768,449 -1.604,450 -0.555,451 11.519,452 0.461,453 0.627,454 0.025,455 32,456 1.28,457 15,458 0.6,459 17,460 0.68,461 20.185,462 0.807,463 27.481,464 0.625,465 23.367,466 0.935,467 6.117,468 0.245,469 6.014,470 0.241,471 0.088,473 0.382,477 1,478 0.798,479 1.171,480 0.757,481 1.027,482 0.739,483 0.905,484 0.708,485 1.071,486 0.805,487 1.047,488 0.536,489 0.961,490 0.771,491 1.128,492 0.861,493 1.071,494 0.635,495 0.999,496 0.856,497 0.919,498 0.907,499 0.921,500 0.772,501 0.921,502 0.781,503 0.805,504 0.887,505 0.772,506 0.515,507 0.814,508 0.854,509 0.946,510 1.082,511 1.038,512 0.775,513 1.078,514 0.656,515 1.026,516 0.989,517 1.203,518 0.722,519 1.183,520 0.931,521 0.961,522 1.163,523 1.213,524 1.035,525 1.249,526 4.5,527 0.066,528 2.889,529 1.979,530 1.673,531 0.744,532 0.7,533 0.455,534 0.185,535 0.134,536 6723,537 19164,538 2.13,539 43.2,541 9,543 1,544 4,546 5,549 1.687,550 2,551 3.171,552 1.815,553 1,554 1,556 1,558 74.508,559 1.693,560 3.998,561 4.681,562 4.914,563 4.914,564 4.914,565 2.663,566 4.164,567 4.613,568 3.291,569 987.174,570 8.013,571 11579.5,573 1,575 1,576 240.215,577 1.388,578 4.579,579 0.161,580 0.008,581 0.072,582 0.048,583 0.045,584 0.021,585 0.019,586 0.014,587 0.008,588 0.01,589 0.407,590 0.17,591 1,592 0.553,593 118.208,594 -0.083,595 -0.052,596 0.024,597 0.046,598 -0.078,599 0.057,600 -0.003,601 -0.025,602 0.036,603 -0.015,604 0.059,605 0.013,606 0.072,607 -0.156,608 0.071,609 -0.065,610 0.169,611 -0.007,612 -0.004,613 0.001,614 0.069,615 0.029,616 0.003,617 0.057,618 -0.066,619 0.037,620 0.055,621 0.145,622 0.012,623 0.142,624 -0.061,625 0.039,626 -0.192,627 -0.089,628 -0.068,629 -0.148,630 0.158,631 -0.083,632 -0.063,633 -0.203,634 0.083,635 -0.193,636 0.057,637 -0.031,638 -0.18,639 -0.229,640 0.032,641 -0.262,642 2.341,643 5.391,644 0.84,645 20.496,646 1.014,647 1.146,648 3.268,649 10.677,650 0.654,651 3.367,652 3.714,653 4.025,654 4.331,655 4.605,656 4.71,657 4.89,658 5.056,659 5.112,660 5.112,661 5.461,662 0.634,663 342.42,664 3.367,665 4.92,666 5.79,667 6.686,668 7.579,669 8.485,670 9.39,671 10.302,672 11.214,673 12.131,674 13.6,676 1,678 1,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 1,713 1,715 1,716 44,718 16,719 1,720 28,722 47,723 17,724 11,725 3,726 3,728 4,729 5,735 2,736 1,738 2,740 11,741 6,742 1,756 1,757 1,758 1,760 19,761 7,762 4,763 8,769 6,775 0.75,776 1,785 1,788 1,793 1,794 3,797 1,815 1,819 3,825 1,827 25,828 1,832 1,833 5,834 1,837 1,849 1,850 2.3,852 1,858 12.5,859 7.643,860 5.417,861 2.649,863 3.051,864 1.41,865 0.997,866 4.277,867 10.489,868 3.611,869 4.259,870 4.912,871 5.567,872 6.152,873 6.549,874 7.016,875 7.48,876 7.76,877 8.022,878 1,879 41,880 9.271,881 4.097,882 7.9,883 17.533,884 14.847,885 2.4,886 60,890 176.567,891 70.113,892 102.919,894 42.683,895 14.96,897 70.113,898 219.25,899 117.879,901 11.386,902 79.337,903 106.404,904 28.031,905 17.288,906 164.795,908 176.567,909 173.032,910 57.643,913 132.671,914 101.539,917 44.264,918 78.533,919 50.234,921 191.527,922 145.602,923 70.113,926 176.567,927 33.066,928 38.824,929 18.011,930 140.775,931 176.567,932 160.562,933 70.113,935 0.586,936 0.349,937 0.19,938 0.11,939 21,940 9,941 0.064,942 3,943 1,944 1.095,945 3.651,946 218.75,947 0.095,948 21,949 112.096,954 16.246,955 6.581,956 3.054,957 1.285,958 158.785,959 5.545,960 13.077,964 0.354,965 1.846,966 93.591,967 407.242,968 36,980 44.636,981 50.445,983 0.31,984 0.732,985 0.857,986 0.9,987 0.9,988 0.9,989 4.86,990 1.414,991 5.784,992 3.949,993 4.394,994 4.945,995 0.278,996 6.629,997 4.303,998 6.078,999 1.24,1000 7.362,1001 3.512,1002 4.007,1003 4.856,1005 7.594,1006 3.871,1007 7.402,1008 1.011,1009 9.043,1010 2.989,1011 6.014,1012 7.23,1013 0.05,1014 10.748,1015 5.85,1016 8.767,1017 1,1018 10.786,1019 2.508,1020 6.463,1021 8.021,1023 12.592,1024 6.257,1025 10.169,1026 0.109,1027 12.569,1028 2.136,1029 7.946,1030 9.879,1031 0.008,1032 15.277,1033 7.714,1034 11.599,1035 -0.037,1036 14.382,1037 0.241,1038 8.786,1039 11.081,1041 17.496,1042 8.514,1043 13.051,1044 -0.333,1045 16.216,1046 -0.099,1047 10.066,1048 12.739,1049 0.001,1050 20.033,1051 9.766,1052 3.318,1053 -0.595,1054 18.068,1055 -0.773,1056 11.09,1057 14.13,1059 22.409,1060 10.753,1061 2.819,1062 11.965,1063 19.934,1064 -1.604,1065 12.297,1066 15.712,1068 24.902,1069 11.93,1070 2.574,1071 8.784,1072 21.811,1073 4.724,1074 13.407,1075 17.188,1077 27.341,1078 13.004,1079 2.329,1080 7.872,1081 23.699,1082 3.878,1083 14.592,1084 18.744,1086 29.823,1087 14.158,1088 2.211,1089 7.261,1090 25.595,1091 3.156,1092 15.744,1093 20.259,1095 32.287,1096 15.274,1097 1.532,1098 6.509,1099 27.499,1100 3.083,1101 16.925,1102 21.807,1104 34.767,1105 16.423,1106 1.497,1107 4.169,1108 29.408,1109 2.471,1110 18.097,1111 23.34,1113 37.241,1114 17.56,1115 6407,1116 10991,1117 18.898,1118 28.756,1119 42.373,1120 43.008,1121 43.599,1122 42.108,1123 42.108,1124 54.583,1125 0.8,1126 123.793,1127 40.041,1128 5.747,1129 5.355,1130 6.805,1131 5.356,1132 5.318,1133 7.724,1134 0.8,1135 19.353,1136 5.204,1137 10.851,1138 1.513,1139 1.536,1140 1.557,1141 1.504,1142 1.504,1143 1.949,1144 0.029,1145 4.421,1146 1.43,1147 4.135,1148 4.183,1149 4.116,1150 3.994,1151 8.201,1152 4.017,1153 3.86,1154 3.905,1155 3.81,1156 3.746,1157 6.465,1158 3.754,1159 3.809,1160 3.856,1161 3.693,1162 3.666,1163 5.254,1164 3.668,1165 3.376,1166 3.472,1167 3.297,1168 3.096,1169 4.868,1170 3.13,1171 3.13,1172 3.206,1173 3.049,1174 2.941,1175 4.572,1176 2.958,1177 3.111,1178 3.197,1179 2.866,1180 2.94,1181 4.406,1182 2.91,1183 2.991,1184 3.107,1185 2.847,1186 2.746,1187 4.336,1188 2.749,1189 2.93,1190 2.971,1191 2.803,1192 2.678,1193 3.749,1194 2.71,1195 0.17,1196 0.12,1197 0.25,1198 0.153,1199 0.118,1200 4.747,1201 0.169,1202 3.355,1203 0.014,1204 7.003,1205 0.427,1206 4.283,1207 0.114,1208 3.318,1209 4.724,1210 0.4,1211 11.965,1212 3.204,1213 1.923,1214 1.904,1215 2.067,1216 2.061,1217 1.442,1218 2.061,1219 1.865,1220 1.808,1221 1.984,1222 2.015,1223 1.111,1224 2.007,1225 1.736,1226 1.692,1227 1.811,1228 1.921,1229 0.921,1230 1.898,1231 1.369,1232 1.29,1233 1.569,1234 1.662,1235 0.825,1236 1.632,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.751,1242 1.429,1243 1.065,1244 1.004,1245 1.239,1246 1.313,1247 0.358,1248 1.304,1249 0.883,1250 0.839,1251 1.152,1252 1.231,1253 0.193,1254 1.208,1255 0.871,1256 0.774,1257 1.121,1258 1.136,1259 0.117,1260 1.131,1261 4.043,1263 5.38,1264 2.398,1265 6.919,1266 4.844,1267 8.549,1268 7.066,1269 10.227,1273 13.391,1275 6.058,1276 9.692,1277 4.893,1278 3.351,1281 0.509,1289 27.914,1290 74.508,1291 175.897,1292 205.95,1293 216.215,1294 216.215,1295 216.215,1296 45.408,1297 7.438,1298 101.88,1299 101.88,1300 23,1301 12.643,1302 4.087,1303 3.17,1304 35.646,1305 81,1306 84,1307 0.22,1308 169.735,1309 282.9,1310 405.914,1311 15639,1312 2.3,1313 17.389,1314 0.696,1315 0.545,1316 16.518,1317 13.614,1318 12.131,1319 0.433,1320 0.296,1321 8.153,1322 11.556,1323 8.052,1324 6.622,1325 11.72,1326 8.298,1327 11.076,1328 0.277,1329 0.159,1330 10.581,1331 6.348,1332 9.628,1333 0.175,1334 0.085,1335 8.966,1336 4.668,1337 8.06,1338 0.107,1339 0.044,1340 7.952,1341 3.329,1342 6.83,1343 0.069,1344 0.024,1345 6.63,1346 2.372,1347 0.333,1348 76.91,1349 0.23,1350 23.787,1351 0.643,1352 136,1353 440.486,1354 152.425,1355 403.408,1356 549.01,1357 376,1358 163,1359 410.431,1360 180.641,1361 407.612,1362 601.17,1363 384,1364 4}
{0 CHEMBL1242845,1 1.716,2 11.516,3 3.509,4 12.315,5 115.43,6 8.676,7 0.771,8 4.029,9 4.15,10 3.721,11 3.55,12 5.294,13 3.575,14 4.495,15 4.649,16 4.112,17 3.92,18 5.748,19 3.944,20 4.688,21 4.863,22 4.174,23 3.992,24 6.026,25 4.009,26 4.767,27 4.979,28 4.113,29 3.983,30 5.988,31 3.984,32 4.706,33 4.917,34 4.078,35 3.986,36 5.862,37 3.975,38 4.712,39 4.901,40 4.087,41 4.006,42 5.939,43 3.99,44 4.797,45 5.03,46 4.032,47 3.965,48 6.002,49 3.922,50 4.693,51 4.923,52 3.93,53 3.824,54 6.007,55 3.797,56 0.189,57 0.89,58 7.256,59 3.685,60 14.878,61 4.1,62 0.302,63 1.382,64 13.266,65 5.856,66 23.304,67 6.994,68 0.562,69 1.591,70 17.989,71 6.692,72 61.862,73 7.898,74 0.701,75 1.635,76 21.646,77 6.794,78 60.181,79 8.092,80 0.537,81 1.492,82 20.419,83 6.827,84 44.052,85 8.824,86 0.51,87 1.559,88 18.405,89 6.911,90 45.056,91 8.58,92 0.642,93 1.566,94 24.927,95 8.65,96 63.474,97 11.848,98 0.729,99 1.461,100 22.701,101 7.239,102 80.447,103 9.386,104 17,105 51,106 0.284,107 0.667,108 0.782,109 0.858,110 0.868,111 0.868,112 3.473,113 0.81,114 -5.17,115 -5.07,116 -4.74,118 43.8,119 1,124 1,138 8,139 2,140 3,142 3,143 1,144 1,156 1,158 1,159 1,160 1,161 3,167 7,170 3,171 8,172 1,173 1,175 2,178 7,180 1,181 2,182 11,186 2,188 5,191 5,192 11,194 3,195 3,197 2,199 1,201 1,203 3,204 9,206 1,208 3,211 2,213 2,214 2,215 8,218 1,220 1,223 3,225 1,227 1,228 8,230 1,231 3,232 1,234 1,235 2,239 2,240 11,242 2,243 2,245 1,247 4,249 1,252 5,255 1,260 5,264 1624,265 21.016,266 21.016,267 21.016,268 21.016,269 21.016,270 17.721,271 21.267,272 12.169,273 21.442,274 17.276,275 17.276,276 17.276,277 17.276,278 17.276,279 12.396,280 26.169,281 5.796,282 18.029,283 3.869,284 1.56,285 0.865,286 0.406,287 0.349,288 0.349,289 4.179,293 1,294 1,295 790,296 2.646,299 141.021,300 266.875,303 122.594,307 1.63,308 37.131,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 68.5,320 357,321 4.749,322 3.377,323 7.004,324 4.286,325 3.321,326 4.725,327 0.522,328 11.968,329 3.205,330 4.4,331 3.197,332 6.332,333 3.991,334 3.027,335 4.097,337 9.713,338 2.916,339 4.21,340 3.137,341 6.084,342 3.767,343 2.813,344 3.877,346 8.771,347 2.677,348 3.912,349 2.75,350 5.883,351 3.525,352 2.556,353 3.431,355 8.11,356 2.476,357 3.695,358 2.471,359 5.756,360 3.286,361 2.337,362 3.12,364 7.546,365 2.202,366 3.653,367 2.386,368 5.543,369 3.204,370 2.263,371 3.077,373 6.954,374 2.124,375 3.155,376 1.871,377 4.536,378 2.707,379 1.717,380 2.422,382 4.436,383 1.699,384 2.999,385 1.782,386 4.468,387 2.453,388 1.52,389 2.237,391 4.141,392 1.414,393 2.82,394 1.702,395 4.354,396 2.404,397 1.456,398 1.948,400 3.989,401 1.376,402 2.808,403 1.531,404 4.106,405 2.365,406 1.414,407 1.914,409 3.513,410 1.332,411 2.579,412 1.281,413 4.038,414 2.105,415 1.154,416 1.611,417 3.317,418 1.095,419 2.521,420 1.081,421 3.658,422 2.032,423 1.042,424 1.531,425 2.573,426 1.031,427 2.5,428 1.052,429 3.483,430 2,431 1,432 1.5,433 2.489,434 1,435 2.422,436 1,437 3.247,438 1.925,439 0.99,440 1.391,441 2.136,442 0.922,443 1.374,444 0.589,445 2.928,446 0.994,447 0.107,448 0.13,449 0.237,450 0.093,451 14.319,452 0.462,453 0.836,454 0.027,455 45.75,456 1.476,457 25,458 0.806,459 20.75,460 0.669,461 22.598,462 0.729,463 31.881,464 0.664,465 36.373,466 1.173,467 9.263,468 0.299,469 5.745,470 0.185,471 0.106,473 0.405,477 1,478 0.726,479 1.015,480 0.66,481 0.911,482 0.772,483 0.802,484 0.715,485 1.143,486 0.654,487 0.996,488 0.594,489 0.847,490 0.99,491 1.251,492 0.919,493 1.067,494 0.831,495 0.985,496 1.148,497 0.915,498 1.14,499 0.886,500 0.998,501 0.965,502 0.789,503 0.874,504 0.906,505 0.847,506 0.537,507 0.873,508 0.805,509 1.039,510 1.058,511 1.132,512 0.754,513 1.141,514 0.644,515 0.986,516 0.867,517 1.071,518 0.642,519 1.039,520 0.965,521 0.855,522 1.01,523 0.957,524 0.959,525 0.994,526 6,527 0.169,528 4,529 2.646,530 2.043,531 1.102,532 0.859,533 0.664,534 0.37,535 0.285,536 12923,537 39888,538 2.14,539 35.4,541 10,543 1,544 3,545 3,549 1.74,550 2,551 3.475,552 0.94,554 1,558 82.353,559 1.716,560 4.025,561 4.72,562 5.179,563 5.236,564 5.236,565 2.906,566 4.761,567 4.924,568 3.619,569 1683.06,570 8.623,571 23308.9,573 1,575 1,576 268.078,577 1.418,578 4.886,579 0.171,580 0.006,581 0.078,582 0.051,583 0.043,584 0.023,585 0.018,586 0.015,587 0.01,588 0.01,589 0.425,590 0.17,591 0.88,592 0.541,593 159.354,594 -0.009,595 0.027,596 0.031,597 0.04,598 -0.133,599 0.038,600 0.025,601 -0.128,602 0.127,603 -0.049,604 0.029,605 0.036,606 -0.023,607 -0.207,608 -0.047,609 -0.133,610 0.082,611 -0.1,612 -0.156,613 0.109,614 -0.203,616 -0.13,617 -0.086,618 -0.056,619 0.009,620 0.009,621 0.075,622 0.022,623 0.068,624 -0.03,625 -0.091,626 -0.191,627 -0.204,628 -0.066,629 -0.229,630 0.191,631 -0.12,632 0.16,633 -0.08,634 0.15,635 0.002,636 0.099,637 0.08,638 0.036,639 0.005,640 0.109,641 -0.004,642 2.384,643 5.545,644 0.839,645 29.819,646 1.022,647 1.138,648 3.944,649 15.558,650 0.693,651 3.584,652 3.951,653 4.277,654 4.585,655 4.844,656 4.97,657 5.159,658 5.347,659 5.464,660 5.557,661 6.67,662 0.685,663 416.46,664 3.584,665 5.153,666 6.033,667 6.936,668 7.836,669 8.746,670 9.655,671 10.569,672 11.483,673 12.4,674 16.7,678 1,682 2,684 5,689 2,690 9,691 5,695 8,696 2,697 27,708 1,713 1,715 1,716 48,718 27,719 2,720 35,722 52,723 21,724 19,725 4,726 8,728 5,729 6,732 1,740 19,741 2,757 1,758 1,760 17,761 8,762 3,763 10,769 8,775 0.8,776 1,785 1,788 1,793 2,794 3,797 1,819 4,823 1,825 1,827 31,828 1,832 1,833 1,847 1,849 1,850 2.1,852 1,858 15.5,859 9.076,860 6.639,861 2.678,863 4.761,864 1.582,865 1.024,866 4.7,867 12.949,868 3.902,869 4.6,870 5.27,871 5.927,872 6.484,873 6.868,874 7.368,875 7.868,876 8.256,877 8.64,878 0.875,879 52,880 11.42,881 5.032,882 7.925,883 21.196,884 17.494,885 2.425,886 75.167,889 1,890 164.795,891 125.309,892 119.888,894 42.683,895 14.96,897 125.309,898 207.479,899 134.848,900 8.825,901 2.106,902 108.707,903 139.73,904 37.956,905 17.288,906 153.024,908 164.795,909 245.197,910 57.643,913 179.756,914 42.683,917 32.966,918 128.671,919 83.56,921 179.756,922 162.571,923 125.309,926 164.795,927 32.055,928 96.684,930 174.101,931 164.795,932 177.531,933 125.309,935 0.593,936 0.356,937 0.193,938 0.11,939 27,940 12,941 0.077,942 4,943 1,944 1.077,945 4.171,946 298.954,947 0.077,948 26,949 149.58,954 19.31,955 7.546,956 3.44,957 1.015,958 174.101,959 14.933,960 22.116,964 2.276,965 3.216,966 75.581,967 467.636,968 48.5,980 49.072,981 54.612,983 0.307,984 0.721,985 0.845,986 0.927,987 0.938,988 0.938,989 5.146,990 1.52,991 6.038,992 4.436,993 4.635,994 5.288,995 0.434,996 6.897,997 4.551,998 6.394,999 1.456,1000 7.627,1001 4.141,1002 4.29,1003 5.173,1005 7.87,1006 4.152,1007 7.727,1008 1.414,1009 9.316,1010 3.989,1011 6.275,1012 7.597,1013 0.138,1014 11.013,1015 6.115,1016 9.1,1017 1.154,1018 11.063,1019 3.513,1020 6.758,1021 8.334,1023 12.838,1024 6.546,1025 10.506,1026 1.042,1027 12.848,1028 3.317,1029 8.222,1030 10.214,1031 0.039,1032 15.503,1033 7.988,1034 11.936,1035 1,1036 14.658,1037 2.573,1038 9.077,1039 11.358,1041 17.689,1042 8.797,1043 13.385,1044 0.99,1045 16.488,1046 2.489,1047 10.344,1048 13.018,1049 0.011,1050 20.204,1051 10.038,1052 3.321,1053 0.107,1054 18.333,1055 2.136,1056 11.368,1057 14.362,1059 22.55,1060 11.021,1061 3.027,1062 11.968,1063 20.19,1064 0.237,1065 12.563,1066 15.934,1067 0.003,1068 25.023,1069 12.187,1070 2.813,1071 9.713,1072 22.057,1073 4.725,1074 13.666,1075 17.376,1077 27.44,1078 13.252,1079 2.556,1080 8.771,1081 23.933,1082 4.097,1083 14.839,1084 18.917,1085 0.001,1086 29.906,1087 14.394,1088 2.337,1089 8.11,1090 25.817,1091 3.877,1092 15.979,1093 20.408,1095 32.355,1096 15.498,1097 2.263,1098 7.546,1099 27.707,1100 3.431,1101 17.149,1102 21.941,1104 34.823,1105 16.634,1106 1.717,1107 6.954,1108 29.603,1109 3.12,1110 18.308,1111 23.456,1113 37.288,1114 17.759,1115 12042,1116 21352,1117 23.581,1118 33.245,1119 54.049,1120 54.188,1121 55.412,1122 53.457,1123 53.436,1124 74.024,1125 1.043,1126 159.782,1127 51.124,1128 5.541,1129 5.377,1130 6.806,1131 5.36,1132 5.321,1133 7.725,1134 1.043,1135 19.363,1136 5.205,1137 14.581,1138 1.544,1139 1.548,1140 1.583,1141 1.527,1142 1.527,1143 2.115,1144 0.03,1145 4.565,1146 1.461,1147 4.143,1148 4.193,1149 4.127,1150 3.997,1151 8.201,1152 4.022,1153 3.982,1154 4.034,1155 3.949,1156 3.854,1157 6.465,1158 3.864,1159 3.843,1160 3.87,1161 3.807,1162 3.728,1163 5.258,1164 3.744,1165 3.731,1166 3.778,1167 3.667,1168 3.589,1169 5.069,1170 3.607,1171 3.342,1172 3.435,1173 3.283,1174 3.052,1175 4.858,1176 3.096,1177 3.08,1178 3.171,1179 3.019,1180 2.896,1181 4.667,1182 2.912,1183 3.062,1184 3.139,1185 2.882,1186 2.84,1187 4.571,1188 2.842,1189 2.935,1190 3.033,1191 2.805,1192 2.746,1193 4.368,1194 2.748,1195 0.136,1196 0.096,1197 0.2,1198 0.122,1199 0.095,1200 4.749,1201 0.135,1202 3.377,1203 0.015,1204 7.004,1205 0.342,1206 4.286,1207 0.092,1208 3.321,1209 4.725,1210 0.522,1211 11.968,1212 3.205,1213 1.922,1214 1.903,1215 2.01,1216 2.033,1217 1.115,1218 2.014,1219 1.892,1220 1.859,1221 1.985,1222 2.007,1223 1.069,1224 2.006,1225 1.779,1226 1.736,1227 1.861,1228 1.967,1229 1.031,1230 1.941,1231 1.605,1232 1.557,1233 1.754,1234 1.785,1235 0.825,1236 1.776,1237 1.325,1238 1.245,1239 1.547,1240 1.608,1241 0.651,1242 1.591,1243 1.132,1244 1.063,1245 1.227,1246 1.452,1247 0.255,1248 1.388,1249 0.988,1250 0.919,1251 1.181,1252 1.232,1253 0.218,1254 1.225,1255 0.886,1256 0.839,1257 1.181,1258 1.218,1259 0.21,1260 1.2,1261 4.263,1263 5.617,1264 3.045,1265 7.162,1266 5.476,1267 8.792,1268 7.636,1269 10.467,1271 1.871,1273 13.545,1275 6.106,1276 9.799,1277 0.29,1289 32.903,1290 82.353,1291 193.184,1292 226.568,1293 248.568,1294 251.323,1295 251.323,1296 53.413,1297 8.187,1298 120.56,1299 120.56,1300 28,1301 12.911,1302 4.807,1303 3.858,1304 43.486,1305 122,1306 133,1307 0.172,1308 199.663,1309 326.74,1310 478.937,1311 41858,1312 2.1,1313 21.535,1314 0.695,1315 0.53,1316 20.665,1317 16.436,1318 15.008,1319 0.429,1320 0.27,1321 9.282,1322 14.296,1323 9.101,1324 7.527,1325 14.597,1326 9.451,1327 13.939,1328 0.273,1329 0.137,1330 13.444,1331 6.987,1332 12.274,1333 0.173,1334 0.07,1335 11.612,1336 4.943,1337 10.304,1338 0.106,1339 0.035,1340 10.196,1341 3.376,1342 8.619,1343 0.068,1344 0.018,1345 8.419,1346 2.308,1347 0.267,1348 95.063,1349 0.206,1350 28.795,1351 0.484,1352 172,1353 577.089,1354 193.615,1355 540.122,1356 747.06,1357 504,1358 208,1359 576.82,1360 232.246,1361 573.585,1362 843.16,1363 540,1364 4.728}
{0 CHEMBL1242846,1 1.711,2 7.957,3 1.675,4 2.805,5 86.413,6 7.884,7 0.64,8 3.826,9 3.956,10 3.439,11 3.215,12 5.032,13 3.253,14 4.333,15 4.528,16 3.8,17 3.557,18 5.493,19 3.59,20 4.39,21 4.568,22 3.901,23 3.68,24 5.557,25 3.715,26 4.582,27 4.794,28 3.943,29 3.768,30 5.793,31 3.776,32 4.545,33 4.736,34 3.829,35 3.78,36 5.637,37 3.751,38 4.593,39 4.801,40 3.789,41 3.708,42 5.792,43 3.674,44 4.581,45 4.828,46 3.493,47 3.569,48 5.641,49 3.496,50 4.493,51 4.806,52 3.03,53 3.294,54 5.424,55 3.166,56 0.125,57 0.635,58 7.768,59 2.781,60 9.93,61 3.929,62 0.539,63 0.917,64 16.264,65 4.32,66 35.472,67 6.408,68 0.283,69 1.064,70 15.274,71 4.222,72 17.075,73 6.703,74 0.715,75 1.158,76 20.603,77 5.134,78 48.944,79 7.925,80 0.382,81 1.129,82 18.283,83 5.734,84 22.728,85 8.627,86 0.691,87 1.055,88 21.124,89 5.94,90 54.513,91 8.748,92 0.533,93 0.927,94 22.11,95 5.199,96 42.784,97 8.631,98 0.781,99 0.67,100 24.216,101 4.642,102 62.834,103 8.037,104 35,105 36,106 0.303,107 0.65,108 0.779,109 0.788,110 0.814,111 0.814,112 3.19,113 0.841,114 -4.17,115 -4.11,116 -3.89,118 35,119 2,123 2,126 1,139 2,141 1,142 1,143 2,144 1,146 1,156 1,158 1,159 1,160 1,161 1,170 6,171 10,172 1,173 1,175 1,178 2,180 1,181 1,182 3,191 7,192 8,194 3,195 3,197 1,199 2,201 1,203 3,211 2,214 7,215 3,217 3,218 3,220 2,225 2,227 1,228 6,239 2,242 1,243 1,252 2,264 695,265 15.516,266 15.516,267 15.516,268 15.516,269 15.516,270 13.685,271 18.113,272 8.883,273 16.253,274 12.182,275 12.182,276 12.182,277 12.182,278 12.182,279 9.226,280 17.965,281 3.987,282 13.201,283 3.611,284 1.653,285 0.925,286 0.875,287 0.725,288 0.725,289 3.865,292 1,293 1,294 1,295 384,296 3,299 44.39,300 121.521,303 84.931,307 1.183,308 23.458,310 1,311 1,312 0.83,313 1,314 0.8,316 1,317 1,318 0.8,319 51.5,320 183,321 4.772,322 3.407,323 7.069,324 4.317,325 3.355,326 4.739,327 0.86,328 12.202,329 3.229,330 4.259,331 3.081,332 6.388,333 3.817,334 2.884,335 3.921,336 0.86,337 9.729,338 2.695,339 3.801,340 2.688,341 5.946,342 3.458,343 2.513,344 3.204,346 8.072,347 2.374,348 3.628,349 2.602,350 5.365,351 3.184,352 2.29,353 3.006,355 6.81,356 2.038,357 3.214,358 2.147,359 4.985,360 2.765,361 1.869,362 2.476,364 5.425,365 1.673,366 3.02,367 1.814,368 4.813,369 2.671,370 1.736,371 2.142,373 4.814,374 1.613,375 2.833,376 1.493,377 4.172,378 2.31,379 1.39,380 1.974,382 3.505,383 1.274,384 2.528,385 1.17,386 3.847,387 2.005,388 1.069,389 1.54,391 2.739,392 0.998,393 2.143,394 0.974,395 3.491,396 1.795,397 0.84,398 1.056,400 2.076,401 0.8,402 1.684,403 0.938,404 2.985,405 1.335,406 0.473,407 0.551,409 0.808,410 0.405,411 1.592,412 0.818,413 2.776,414 1.294,415 0.462,416 0.512,417 0.673,418 0.384,419 1.061,420 -0.038,421 2.482,422 0.635,423 -0.274,424 -0.341,425 -0.601,426 -0.248,427 0.878,428 -0.208,429 2.39,430 0.464,431 -0.426,432 -0.535,433 -0.883,434 -0.377,435 0.609,436 -0.465,437 2.249,438 0.106,439 -0.816,440 -1,441 -2,442 -0.739,443 0.572,444 -0.765,445 2.176,446 0.068,447 -0.845,448 -1.078,449 -2.109,450 -0.768,451 10.467,452 0.455,453 0.61,454 0.027,455 32,456 1.391,457 15.5,458 0.674,459 16.5,460 0.717,461 17.337,462 0.754,463 25.533,464 0.638,465 23.382,466 1.017,467 6.356,468 0.276,469 4.706,470 0.205,471 0.229,473 0.42,478 0.94,479 1.661,480 0.732,481 1.342,482 1.033,483 1.035,484 1.051,485 0.897,486 0.666,487 0.617,488 0.785,489 0.58,490 0.967,491 1.552,492 0.745,493 1.111,494 0.769,495 0.889,496 0.915,497 0.797,498 0.937,499 0.755,500 1.006,501 0.819,502 0.877,503 1.368,504 1.084,505 1.378,506 0.933,507 1.282,508 1.006,509 0.991,510 1.128,511 1.144,512 1.015,513 1.179,514 1.186,515 1.225,516 1.272,517 1.276,518 1.358,519 1.281,520 1.32,521 0.371,522 1.176,523 0.503,524 1.356,525 0.756,526 4.5,527 0.012,528 2.889,529 2.292,530 1.887,531 1.254,532 0.588,533 0.407,534 0.204,535 0.066,536 4592,537 13935,538 2.016,539 42.5,541 7,543 2,544 2,546 6,549 1.667,550 1.84,551 2.971,552 0.45,553 1,554 1,556 1,558 68.436,559 1.711,560 3.669,561 4.396,562 4.446,563 4.596,564 4.596,565 2.455,566 4.437,567 4.493,568 3.089,569 781.585,570 7.788,571 8527.36,572 1,573 1,575 1,576 212.877,577 1.538,578 4.428,579 0.18,580 0.004,581 0.08,582 0.057,583 0.047,584 0.036,585 0.018,586 0.019,587 0.016,588 0.009,589 0.467,590 0.33,591 1,592 1.059,593 104.31,594 -0.073,595 -0.376,596 0.067,597 -0.23,598 -0.162,599 -0.072,600 0.106,601 0.176,602 0.285,603 0.368,604 0.184,605 0.353,606 -0.124,607 -0.355,608 0.115,609 -0.09,610 0.039,611 0.054,612 0.106,613 0.318,614 -0.004,615 0.171,616 0.045,617 0.079,618 -0.069,619 -0.22,620 -0.218,621 -0.336,622 -0.131,623 -0.311,624 0.095,625 0.048,626 -0.179,627 -0.17,628 0.102,629 -0.243,630 -0.199,631 -0.28,632 -0.286,633 -0.341,634 -0.266,635 -0.327,636 -0.149,637 0.361,638 -0.051,639 0.345,640 -0.184,641 0.205,642 1.456,643 2.045,644 0.652,645 16.053,646 1.02,647 1.15,648 2.942,649 8.656,650 0.644,651 3.258,652 3.611,653 3.951,654 4.277,655 4.543,656 4.691,657 4.771,658 4.82,659 4.787,660 4.718,661 4.859,662 0.63,663 315.38,664 3.258,665 4.812,666 5.694,667 6.605,668 7.515,669 8.437,670 9.356,671 10.283,672 11.205,673 12.134,674 17.5,678 1,682 1,684 5,689 2,690 2,691 5,695 5,696 1,697 16,708 1,714 2,716 40,718 16,720 25,722 42,723 14,724 9,728 3,729 4,732 2,738 1,740 9,741 5,756 1,757 1,760 17,761 8,762 2,763 9,769 7,775 0.667,776 2,785 1,788 2,793 1,794 2,797 1,819 2,823 4,827 23,828 1,835 2,837 1,850 5,855 2,858 12.5,859 8.617,860 5.194,861 2.219,863 3.206,864 1.455,865 0.953,866 4.112,867 10.258,868 3.526,869 4.201,870 4.904,871 5.589,872 6.178,873 6.598,874 7.022,875 7.437,876 7.701,877 7.974,878 1,879 40,880 8.404,881 3.473,882 7.804,883 15.694,884 12.22,885 2.304,886 53,890 176.567,891 78.841,892 118.479,894 22,897 78.841,898 198.566,899 118.479,900 39.417,902 32.897,903 109.063,904 49.958,905 11.528,906 153.024,908 176.567,909 197.32,910 22,913 105.94,914 92.626,917 45.951,918 67.564,919 83.805,921 176.567,922 140.479,923 78.841,926 176.567,927 21.759,928 58.859,930 138.702,931 176.567,932 140.479,933 78.841,935 0.581,936 0.362,937 0.207,938 0.121,939 18,940 9,941 0.095,942 4,943 1,944 1.133,945 3.294,946 193.496,947 0.133,948 15,949 102.042,954 15.591,955 6.067,956 2.603,957 1.3,958 138.702,959 3.007,960 21.3,964 2.068,965 1.784,966 32.897,967 395.887,968 33,980 40.785,981 45.983,983 0.321,984 0.689,985 0.826,986 0.835,987 0.864,988 0.864,989 4.771,990 1.069,991 5.707,992 3.505,993 4.29,994 4.887,995 1.376,996 6.597,997 4.15,998 6.014,999 0.84,1000 7.318,1001 2.739,1002 4.007,1003 4.856,1005 7.676,1006 3.841,1007 7.355,1008 0.473,1009 9.031,1010 2.076,1011 5.953,1012 7.221,1013 1.159,1014 10.826,1015 5.709,1016 8.74,1017 0.462,1018 10.803,1019 0.808,1020 6.494,1021 8.043,1023 12.741,1024 6.232,1025 10.16,1026 -0.274,1027 12.614,1028 0.673,1029 7.938,1030 9.897,1031 0.963,1032 15.436,1033 7.618,1034 11.606,1035 -0.426,1036 14.451,1037 -0.601,1038 8.844,1039 11.113,1041 17.692,1042 8.504,1043 13.072,1044 -0.816,1045 16.309,1046 -0.883,1047 10.111,1048 12.771,1049 0.787,1050 20.243,1051 9.726,1052 3.355,1053 -0.845,1054 18.181,1055 -2,1056 11.179,1057 14.17,1059 22.639,1060 10.769,1061 2.884,1062 12.202,1063 20.066,1064 -2.109,1065 12.387,1066 15.753,1067 0.634,1068 25.146,1069 11.938,1070 2.513,1071 9.729,1072 21.961,1073 4.739,1074 13.526,1075 17.234,1077 27.6,1078 13.048,1079 2.29,1080 8.072,1081 23.864,1082 3.921,1083 14.72,1084 18.792,1085 0.504,1086 30.096,1087 14.206,1088 1.869,1089 6.81,1090 25.775,1091 3.204,1092 15.89,1093 20.31,1095 32.574,1096 15.344,1097 1.736,1098 5.425,1099 27.691,1100 3.006,1101 17.083,1102 21.861,1103 0.395,1104 35.068,1105 16.502,1106 1.39,1107 4.814,1108 29.612,1109 2.476,1110 18.27,1111 23.397,1113 37.558,1114 17.655,1115 4649,1116 8245,1117 16.126,1118 25.756,1119 37.907,1120 38.531,1121 40.519,1122 37.665,1123 37.761,1124 50.246,1125 3.44,1126 113.708,1127 34.966,1128 5.469,1129 5.407,1130 6.626,1131 5.39,1132 5.355,1133 7.739,1134 1.72,1135 19.799,1136 5.148,1137 13.176,1138 1.516,1139 1.541,1140 1.621,1141 1.507,1142 1.51,1143 2.01,1144 0.138,1145 4.548,1146 1.399,1147 4.128,1148 4.176,1149 4.114,1150 3.965,1151 5.264,1152 3.997,1153 3.795,1154 3.835,1155 3.771,1156 3.588,1157 5.086,1158 3.627,1159 3.576,1160 3.654,1161 3.445,1162 3.403,1163 4.848,1164 3.398,1165 3.307,1166 3.362,1167 3.182,1168 3.013,1169 4.595,1170 3.046,1171 3.224,1172 3.303,1173 3.067,1174 2.932,1175 4.499,1176 2.949,1177 3.106,1178 3.207,1179 2.924,1180 2.825,1181 4.284,1182 2.836,1183 2.985,1184 3.095,1185 2.853,1186 2.676,1187 4.062,1188 2.713,1189 2.874,1190 3.009,1191 2.499,1192 2.618,1193 3.782,1194 2.57,1195 0.191,1196 0.136,1197 0.283,1198 0.173,1199 0.134,1200 4.772,1201 0.19,1202 3.407,1203 0.034,1204 7.069,1205 0.488,1206 4.317,1207 0.129,1208 3.355,1209 4.739,1210 0.86,1211 12.202,1212 3.229,1213 1.869,1214 1.839,1215 1.951,1216 2.034,1217 1.148,1218 2.005,1219 1.743,1220 1.69,1221 1.878,1222 1.97,1223 0.993,1224 1.937,1225 1.578,1226 1.517,1227 1.721,1228 1.807,1229 0.7,1230 1.794,1231 1.227,1232 1.162,1233 1.586,1234 1.558,1235 0.581,1236 1.563,1237 1.169,1238 1.088,1239 1.526,1240 1.474,1241 0.546,1242 1.491,1243 1.03,1244 0.937,1245 1.417,1246 1.359,1247 0.469,1248 1.337,1249 0.934,1250 0.804,1251 1.22,1252 1.239,1253 0.12,1254 1.308,1255 0.824,1256 0.74,1257 1.045,1258 1.182,1259 0.027,1260 1.159,1261 3.932,1263 5.273,1264 2.398,1265 6.825,1266 4.844,1267 8.477,1268 7.081,1269 10.182,1271 7.03,1275 6.045,1279 10.364,1281 0.103,1289 25.213,1290 68.436,1291 146.771,1292 175.858,1293 177.858,1294 183.858,1295 183.858,1296 32.222,1297 7.053,1298 113.86,1299 113.86,1300 17,1301 12.638,1302 4.087,1303 3.17,1304 36.447,1305 65,1306 78,1307 0.282,1308 157.944,1309 257.08,1310 377.143,1311 9092,1313 16.56,1314 0.72,1315 0.579,1316 16.56,1317 13.309,1318 11.062,1319 0.442,1320 0.28,1321 6.812,1322 10.311,1323 6.543,1324 5.53,1325 11.062,1326 7.005,1327 9.876,1328 0.274,1329 0.142,1330 9.876,1331 5.124,1332 8.595,1333 0.169,1334 0.066,1335 8.595,1336 3.37,1337 7.383,1338 0.104,1339 0.033,1340 7.383,1341 2.311,1342 6.139,1343 0.066,1344 0.017,1345 6.139,1346 1.552,1347 0.419,1348 71.608,1349 0.249,1350 21.764,1351 0.855,1352 122,1353 420.654,1354 141.355,1355 397.807,1356 552.77,1357 374,1358 148,1359 422.666,1360 168.274,1361 425.63,1362 626.72,1363 395,1364 5.963}
{0 CHEMBL1242847,1 1.572,2 8,3 2.41,4 5.807,5 83.026,6 7.457,7 0.696,8 3.752,9 3.884,10 3.326,11 3.238,12 4.902,13 3.235,14 4.253,15 4.443,16 3.684,17 3.597,18 5.329,19 3.586,20 4.402,21 4.598,22 3.758,23 3.716,24 5.482,25 3.693,26 4.512,27 4.736,28 3.733,29 3.762,30 5.6,31 3.705,32 4.484,33 4.722,34 3.546,35 3.723,36 5.452,37 3.633,38 4.389,39 4.612,40 3.464,41 3.624,42 5.445,43 3.529,44 4.417,45 4.69,46 3.122,47 3.476,48 5.373,49 3.325,50 4.238,51 4.564,52 2.764,53 3.143,54 5.026,55 2.932,56 0.054,57 0.603,58 7.854,59 3.07,60 9.191,61 4.213,62 0.213,63 0.913,64 14.719,65 4.929,66 20.468,67 6.964,68 0.199,69 1.061,70 17.035,71 5.284,72 19.217,73 7.822,74 0.325,75 1.143,76 19.733,77 6.181,78 32.592,79 9.16,80 0.218,81 1.078,82 19.277,83 6.01,84 24.526,85 9.208,86 0.19,87 0.971,88 17.193,89 5.728,90 26.136,91 8.621,92 0.291,93 0.871,94 19.333,95 5.702,96 36.234,97 8.829,98 0.311,99 0.604,100 17.75,101 5.662,102 30.926,103 8.784,104 21,105 33,106 0.281,107 0.662,108 0.769,109 0.788,110 0.788,111 0.788,112 3.105,113 0.88,114 -4.38,115 -4.31,116 -4.06,118 39.5,119 2,123 1,126 1,138 4,139 2,140 1,142 1,143 1,144 1,156 1,158 1,159 1,160 1,161 1,167 4,170 2,171 9,172 1,173 1,175 1,178 6,180 1,181 1,182 7,188 4,191 2,192 9,194 3,195 3,197 1,199 4,201 1,204 6,208 2,211 2,213 2,214 1,215 7,220 4,223 4,225 4,227 1,235 4,239 2,242 1,243 1,252 2,264 548,265 14.146,266 14.146,267 14.146,268 14.146,269 14.146,270 12.315,271 13.8,272 8.147,273 14.586,274 11.26,275 11.26,276 11.26,277 11.26,278 11.26,279 8.404,280 12.151,281 3.737,282 11.871,283 3.676,284 1.548,285 0.954,286 0.849,287 0.849,288 0.849,289 3.781,292 1,293 1,294 1,295 356,296 2.739,299 40.733,300 108.482,303 77.684,307 1.238,308 15.841,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 45.5,320 168,321 4.757,322 3.373,323 7.038,324 4.298,325 3.335,326 4.73,327 0.86,328 12.08,329 3.214,330 4.067,331 2.865,332 6.147,333 3.66,334 2.692,335 3.678,337 8.817,338 2.604,339 3.799,340 2.674,341 5.765,342 3.449,343 2.498,344 3.204,346 7.634,347 2.372,348 3.621,349 2.446,350 5.286,351 3.219,352 2.279,353 3,355 6.686,356 2.134,357 3.033,358 1.824,359 4.819,360 2.684,361 1.743,362 2.251,364 4.818,365 1.636,366 2.988,367 1.59,368 4.458,369 2.466,370 1.531,371 2.127,373 4.138,374 1.426,375 2.532,376 1.176,377 3.861,378 2.018,379 1.079,380 1.545,382 2.765,383 1.01,384 2.5,385 1,386 3.49,387 2,388 1,389 1.5,391 2.275,392 1,393 2.132,394 0.973,395 3.414,396 1.79,397 0.831,398 1.042,400 2.061,401 0.794,402 1.644,403 0.816,404 2.823,405 1.343,406 0.473,407 0.537,409 0.735,410 0.408,411 1.061,412 -0.112,413 2.468,414 0.635,415 -0.281,416 -0.354,417 -0.64,418 -0.257,419 0.862,420 -0.251,421 2.385,422 0.458,423 -0.482,424 -0.618,425 -0.996,426 -0.449,427 0.597,428 -0.761,429 2.249,430 0.097,431 -0.833,432 -1,433 -2,434 -0.769,435 0.5,436 -0.956,437 2,439 -1,440 -1.129,441 -2.29,442 -1,443 0.167,444 -1,445 1.938,447 -1,448 -1.4,449 -3,450 -1,451 9.833,452 0.468,453 0.559,454 0.027,455 29,456 1.381,457 15,458 0.714,459 14,460 0.667,461 15.16,462 0.722,463 22.567,464 0.594,465 19.747,466 0.94,467 5.702,468 0.272,469 4.412,470 0.21,471 0.193,473 0.397,478 0.894,479 1.345,480 0.786,481 1.13,482 1.083,483 0.967,484 1.082,485 1.023,486 0.727,487 0.821,488 0.751,489 0.743,490 1.161,491 1.229,492 0.903,493 0.961,494 0.863,495 0.896,496 0.927,497 0.988,498 0.985,499 0.964,500 0.98,501 0.977,502 0.953,503 1.091,504 1.128,505 1.061,506 0.973,507 1.095,508 0.819,509 1.285,510 1.14,511 1.284,512 1.017,513 1.258,514 1.019,515 0.952,516 1.267,517 1.138,518 1.611,519 1.212,520 0.399,521 0.686,522 0.736,523 0.895,524 0.465,525 0.882,526 4,527 0.012,528 2.667,529 1.854,530 1.656,531 0.889,532 0.388,533 0.301,534 0.183,535 0.066,536 3794,537 10077,538 2.045,539 44.7,541 8,543 1,544 2,546 6,549 1.638,550 1.881,551 2.954,552 0.378,553 1,554 1,556 1,558 59.721,559 1.572,560 3.7,561 4.294,562 4.399,563 4.399,564 4.399,565 2.47,566 3.975,567 4.359,568 3.09,569 648.845,570 7.503,571 6625.02,572 1,573 1,575 1,576 199.421,577 1.51,578 4.305,579 0.174,580 0.004,581 0.081,582 0.053,583 0.05,584 0.033,585 0.016,586 0.02,587 0.018,588 0.009,589 0.459,590 0.5,591 1,592 0.988,593 92.597,594 0.006,595 -0.124,596 0.061,597 -0.074,598 -0.165,599 -0.009,600 0.035,601 0.071,602 0.21,603 0.178,604 0.138,605 0.207,606 -0.13,607 -0.117,608 0.025,609 0.012,610 0.016,611 0.038,612 0.027,613 0.089,614 -0.041,615 -0.011,616 0.029,617 -0.039,618 -0.188,619 -0.04,620 -0.199,621 -0.091,622 -0.143,623 -0.131,624 -0.03,625 -0.244,626 -0.22,627 -0.291,628 0.002,629 -0.285,630 -0.106,631 -0.015,632 -0.279,633 -0.196,634 -0.397,635 -0.246,636 0.457,637 0.041,638 0.32,639 0.097,640 0.359,641 0.175,642 1.224,643 2.035,644 0.714,645 14.576,646 1.004,647 1.137,648 3.147,649 9.902,650 0.659,651 3.178,652 3.526,653 3.85,654 4.159,655 4.419,656 4.543,657 4.595,658 4.663,659 4.644,660 4.543,661 4.77,662 0.631,663 283.37,664 3.178,665 4.727,666 5.602,667 6.506,668 7.408,669 8.322,670 9.235,671 10.154,672 11.071,673 11.993,674 13.2,678 1,682 1,684 3,689 2,690 5,691 3,695 4,696 1,697 16,708 1,714 1,716 38,718 16,719 1,720 23,722 40,723 15,724 11,725 2,726 4,728 3,729 4,732 2,738 1,740 11,741 4,756 1,757 1,760 17,761 5,762 2,763 6,769 5,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 3,827 21,828 1,835 1,837 1,850 2.6,855 1,858 11.167,859 7.8,860 4.667,861 2.204,863 3.131,864 1.456,865 0.979,866 3.516,867 9.992,868 3.466,869 4.139,870 4.835,871 5.513,872 6.1,873 6.498,874 6.919,875 7.35,876 7.601,877 7.841,878 1,879 35,880 7.691,881 3.197,882 7.683,883 14.644,884 11.721,885 2.183,886 45.833,890 176.567,891 92.859,892 84.908,894 11,897 92.859,898 187.566,899 84.908,900 28.533,902 70.802,903 63.72,904 35.154,905 2.328,906 164.795,908 176.567,909 177.767,910 11,913 105.94,914 81.626,917 32.518,918 95.015,919 50.234,921 176.567,922 95.908,923 92.859,926 176.567,927 17.802,928 76.834,930 94.131,931 176.567,932 95.908,933 92.859,935 0.585,936 0.355,937 0.197,938 0.114,939 17,940 8,941 0.075,942 3,943 1,944 1.133,945 3.205,946 168.187,947 0.133,948 15,949 86.239,954 13.835,955 5.337,956 2.339,957 1.541,958 94.131,959 9.177,960 13.085,964 2.995,965 1.868,966 32.897,967 365.333,968 31,980 38.138,981 43.192,983 0.299,984 0.705,985 0.818,986 0.838,987 0.838,988 0.838,989 4.7,990 1,991 5.609,992 2.765,993 4.205,994 4.824,995 0.908,996 6.482,997 4.111,998 5.94,999 0.831,1000 7.209,1001 2.275,1002 3.892,1003 4.745,1005 7.532,1006 3.765,1007 7.274,1008 0.473,1009 8.911,1010 2.061,1011 5.849,1012 7.149,1013 0.739,1014 10.676,1015 5.677,1016 8.651,1017 -0.281,1018 10.674,1019 0.735,1020 6.365,1021 7.939,1023 12.583,1024 6.16,1025 10.064,1026 -0.482,1027 12.477,1028 -0.64,1029 7.818,1030 9.817,1031 0.593,1032 15.273,1033 7.577,1034 11.504,1035 -0.833,1036 14.308,1037 -0.996,1038 8.705,1039 11.016,1041 17.531,1042 8.43,1043 12.965,1044 -1,1045 16.16,1046 -2,1047 9.977,1048 12.688,1049 0.469,1050 20.079,1051 9.669,1052 3.335,1053 -1,1054 18.029,1055 -2.29,1056 11.034,1057 14.082,1059 22.478,1060 10.69,1061 2.692,1062 12.08,1063 19.911,1064 -3,1065 12.244,1066 15.674,1067 0.366,1068 24.983,1069 11.867,1070 2.498,1071 8.817,1072 21.804,1073 4.73,1074 13.378,1075 17.155,1077 27.438,1078 12.965,1079 2.279,1080 7.634,1081 23.706,1082 3.678,1083 14.572,1084 18.719,1085 0.283,1086 29.931,1087 14.125,1088 1.743,1089 6.686,1090 25.615,1091 3.204,1092 15.741,1093 20.24,1095 32.407,1096 15.257,1097 1.531,1098 4.818,1099 27.531,1100 3,1101 16.934,1102 21.794,1103 0.217,1104 34.898,1105 16.414,1106 1.079,1107 4.138,1108 29.452,1109 2.251,1110 18.119,1111 23.333,1113 37.383,1114 17.563,1115 3808,1116 6320,1117 15.027,1118 25.051,1119 35.189,1120 35.281,1121 36.905,1122 34.898,1123 34.921,1124 47.228,1125 1.72,1126 104.02,1127 33.199,1128 5.433,1129 5.373,1130 6.589,1131 5.371,1132 5.335,1133 7.73,1134 1.72,1135 19.53,1136 5.214,1137 11.124,1138 1.53,1139 1.534,1140 1.605,1141 1.517,1142 1.518,1143 2.053,1144 0.075,1145 4.523,1146 1.443,1147 4.132,1148 4.179,1149 4.114,1150 3.993,1151 5.256,1152 4.015,1153 3.841,1154 3.87,1155 3.785,1156 3.733,1157 4.906,1158 3.744,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 4.809,1164 3.399,1165 3.288,1166 3.351,1167 3.175,1168 3.038,1169 4.518,1170 3.066,1171 3.135,1172 3.232,1173 2.967,1174 2.86,1175 4.318,1176 2.872,1177 2.991,1178 3.101,1179 2.861,1180 2.735,1181 4.048,1182 2.719,1183 2.874,1184 3.009,1185 2.687,1186 2.683,1187 3.687,1188 2.715,1189 2.854,1190 2.925,1191 2.521,1192 2.618,1193 3.674,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.757,1201 0.206,1202 3.373,1203 0.037,1204 7.038,1205 0.525,1206 4.298,1207 0.14,1208 3.335,1209 4.73,1210 0.86,1211 12.08,1212 3.214,1213 1.93,1214 1.909,1215 2.011,1216 2.038,1217 1.154,1218 2.023,1219 1.796,1220 1.748,1221 1.946,1222 1.985,1223 1.114,1224 1.974,1225 1.612,1226 1.548,1227 1.776,1228 1.814,1229 0.837,1230 1.814,1231 1.228,1232 1.168,1233 1.569,1234 1.525,1235 0.573,1236 1.537,1237 1.076,1238 0.99,1239 1.417,1240 1.376,1241 0.469,1242 1.356,1243 0.934,1244 0.821,1245 1.248,1246 1.239,1247 0.262,1248 1.308,1249 0.886,1250 0.804,1251 1.181,1252 1.198,1253 0.218,1254 1.187,1255 0.856,1256 0.763,1257 1.129,1258 1.062,1259 0.036,1260 1.107,1261 3.85,1263 5.187,1264 2.398,1265 6.732,1266 4.844,1267 8.372,1268 7.081,1269 10.062,1271 5.759,1275 6.035,1279 5.185,1281 0.189,1289 23.983,1290 59.721,1291 140.592,1292 163.157,1293 167.157,1294 167.157,1295 167.157,1296 26.891,1297 6.862,1298 78.85,1299 78.85,1300 17,1301 12.501,1302 4.087,1303 3.17,1304 31.963,1305 58,1306 74,1307 0.278,1308 149.951,1309 243.59,1310 357.641,1311 7210,1313 14.983,1314 0.713,1315 0.583,1316 14.983,1317 12.239,1318 10.113,1319 0.44,1320 0.293,1321 6.626,1322 9.632,1323 6.371,1324 5.368,1325 10.113,1326 6.746,1327 9.146,1328 0.277,1329 0.154,1330 9.146,1331 5.073,1332 7.868,1333 0.171,1334 0.073,1335 7.868,1336 3.371,1337 6.666,1338 0.106,1339 0.037,1340 6.666,1341 2.306,1342 5.483,1343 0.067,1344 0.019,1345 5.483,1346 1.57,1347 0.415,1348 63.938,1349 0.258,1350 20.264,1351 0.83,1352 112,1353 325.628,1354 124.315,1355 316.764,1356 445.8,1357 298,1358 135,1359 345.838,1360 148.288,1361 350.466,1362 513.83,1363 328,1364 5.526}
{0 CHEMBL1242848,1 1.62,2 7.286,3 1.412,4 1.994,5 82.958,6 7.685,7 0.696,8 3.74,9 3.881,10 3.319,11 3.21,12 4.964,13 3.219,14 4.205,15 4.388,16 3.71,17 3.592,18 5.36,19 3.588,20 4.423,21 4.618,22 3.803,23 3.712,24 5.646,25 3.7,26 4.545,27 4.777,28 3.746,29 3.732,30 5.705,31 3.689,32 4.452,33 4.683,34 3.583,35 3.672,36 5.519,37 3.606,38 4.345,39 4.544,40 3.544,41 3.596,42 5.527,43 3.534,44 4.456,45 4.725,46 3.258,47 3.48,48 5.607,49 3.35,50 4.272,51 4.591,52 2.796,53 3.117,54 5.288,55 2.933,56 0.109,57 0.61,58 7.546,59 2.716,60 15.063,61 3.759,62 0.174,63 0.924,64 13.022,65 4.605,66 19.275,67 6.645,68 0.276,69 1.078,70 16.846,71 5.037,72 33.346,73 7.609,74 0.421,75 1.119,76 20.588,77 5.869,78 48.366,79 8.819,80 0.319,81 1.018,82 18.465,83 5.467,84 34.71,85 8.389,86 0.229,87 0.946,88 15.462,89 5.106,90 26.136,91 7.578,92 0.448,93 0.866,94 20.074,95 5.508,96 59.343,97 8.735,98 0.344,99 0.592,100 18.739,101 5.364,102 49.156,103 8.283,104 27,105 34,106 0.292,107 0.712,108 0.791,109 0.833,110 0.833,111 0.833,112 3.105,113 0.856,114 -4.14,115 -4.08,116 -3.86,118 37.8,119 2,126 1,138 3,139 2,140 2,142 1,143 1,144 1,156 1,158 2,159 2,160 2,161 1,167 3,170 2,171 7,172 1,173 1,175 3,178 4,180 2,181 1,182 5,185 1,186 4,187 1,188 3,190 2,191 2,192 7,194 3,195 3,197 3,199 3,201 2,204 5,206 1,208 3,211 2,213 2,215 4,217 1,218 2,220 4,223 4,225 4,230 1,231 3,232 1,234 1,235 2,242 2,243 2,244 1,245 2,246 2,250 1,257 2,262 2,264 530,265 13.776,266 13.776,267 13.776,268 13.776,269 13.776,270 11.84,271 13.037,272 7.818,273 14.087,274 11.301,275 11.301,276 11.301,277 11.301,278 11.301,279 8.368,280 9.869,281 3.657,282 11.827,283 3.59,284 1.254,285 0.818,286 0.581,287 0.581,288 0.581,289 3.777,292 1,293 1,294 1,295 323,296 2.646,299 39.793,300 107.231,303 76.128,307 1.061,308 22.626,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 46,320 153,321 4.76,322 3.377,323 7.039,324 4.301,325 3.338,326 4.732,328 12.086,329 3.218,330 4.216,331 2.975,332 6.179,333 3.795,334 2.827,335 3.879,337 8.977,338 2.731,339 3.814,340 2.667,341 5.927,342 3.486,343 2.533,344 3.214,346 8.067,347 2.41,348 3.679,349 2.396,350 5.657,351 3.279,352 2.321,353 3.085,355 7.235,356 2.22,357 3.03,358 1.821,359 4.819,360 2.683,361 1.743,362 2.244,364 4.818,365 1.636,366 2.98,367 1.633,368 4.469,369 2.45,370 1.508,371 2.126,373 4.123,374 1.416,375 2.82,376 1.52,377 4.039,378 2.378,379 1.414,380 1.948,382 3.512,383 1.356,384 2.521,385 1.07,386 3.86,387 2.008,388 1.062,389 1.531,391 2.758,392 1.002,393 2.127,394 0.853,395 3.49,396 1.778,397 0.815,398 1.033,400 2.05,401 0.783,402 1.371,403 0.365,404 2.736,405 1.038,406 0.103,407 0.124,409 0.227,410 0.095,411 1.058,412 -0.15,413 2.427,414 0.618,415 -0.294,416 -0.374,417 -0.685,418 -0.267,419 0.781,420 -0.406,421 2.375,422 0.355,423 -0.595,424 -0.77,425 -1.604,426 -0.559,427 0.621,428 -0.762,429 2.256,430 0.125,431 -0.815,432 -1,433 -2,434 -0.761,435 0.227,436 -0.947,437 2.131,439 -1,440 -1.114,441 -2.268,442 -1,444 -1,445 1.805,446 -0.11,447 -1.062,448 -1.285,449 -3.043,450 -1.013,451 9.733,452 0.463,453 0.686,454 0.033,455 29.5,456 1.405,457 15.5,458 0.738,459 14,460 0.667,461 14.993,462 0.714,463 22.667,464 0.613,465 20.843,466 0.993,467 5.695,468 0.271,469 4.291,470 0.204,471 0.219,473 0.452,478 1.058,479 1.234,480 0.821,481 0.954,482 1.206,483 0.858,484 0.681,485 1.167,486 0.633,487 0.954,488 0.544,489 0.807,490 1.033,491 1.289,492 0.896,493 1.043,494 0.792,495 0.952,496 1.091,497 0.933,498 0.994,499 0.916,500 1.077,501 0.935,502 1.008,503 1.058,504 1.078,505 1.02,506 0.76,507 1.045,508 0.896,509 1.359,510 1.161,511 1.395,512 0.917,513 1.332,514 0.891,515 0.93,516 1.222,517 1.145,518 1.02,519 1.221,520 0.895,521 0.68,522 0.895,523 0.938,524 0.987,525 0.941,526 4.5,528 3.111,529 2.042,530 1.807,531 0.827,532 0.566,533 0.386,534 0.148,535 0.016,536 3654,537 10487,538 2.018,539 43.2,541 4,543 1,544 5,546 6,549 1.64,550 1.826,551 2.878,552 2.845,553 1,554 1,556 1,558 59.937,559 1.62,560 3.955,561 4.391,562 4.628,563 4.628,564 4.628,565 2.244,566 4.202,567 4.364,568 2.982,569 626.115,570 7.519,571 6413.99,572 1,573 1,575 1,576 192.75,577 1.545,578 4.289,579 0.196,581 0.092,582 0.057,583 0.055,584 0.03,585 0.022,586 0.023,587 0.015,588 0.005,589 0.493,590 0.5,591 1,592 0.911,593 91.933,594 -0.145,595 0.014,596 0.003,597 0.097,598 -0.28,599 0.079,600 0.117,601 -0.019,602 0.238,603 0.088,604 0.119,605 0.168,606 -0.053,607 -0.177,608 0.011,609 -0.059,610 0.075,611 -0.017,612 -0.05,613 0.097,614 -0.033,615 0.033,616 -0.092,617 0.003,618 -0.131,619 -0.025,620 -0.144,621 -0.037,622 -0.026,623 -0.078,624 -0.034,625 -0.273,626 -0.27,627 -0.387,628 -0.055,629 -0.372,630 0.085,631 -0.012,632 -0.221,633 -0.207,634 0.004,635 -0.254,636 0.151,637 0.031,638 0.202,639 0.033,640 0.191,641 0.106,642 1.657,643 3.797,644 0.714,645 13.56,646 1.01,647 1.143,648 2.91,649 8.47,650 0.657,651 3.178,652 3.555,653 3.871,654 4.174,655 4.443,656 4.564,657 4.625,658 4.71,659 4.644,660 4.511,661 4.558,662 0.635,663 284.36,664 3.178,665 4.745,666 5.624,667 6.535,668 7.441,669 8.36,670 9.275,671 10.198,672 11.117,673 12.041,674 16.2,678 2,682 1,684 3,689 2,690 4,691 3,695 5,696 1,697 16,708 2,713 1,716 37,718 16,719 1,720 23,722 39,723 14,724 11,725 3,726 3,728 3,729 4,732 2,738 1,740 11,741 3,756 1,757 1,760 16,761 6,762 5,763 7,769 6,775 0.667,776 1,785 1,788 1,793 1,794 2,797 1,819 2,823 2,827 21,828 2,832 1,837 1,850 2.7,852 1,858 11.5,859 7.083,860 4.528,861 2.08,863 3.139,864 1.457,865 0.975,866 3.276,867 10.002,868 3.466,869 4.171,870 4.859,871 5.531,872 6.123,873 6.526,874 6.946,875 7.39,876 7.628,877 7.866,878 0.8,879 36,880 7.696,881 3.303,882 7.881,883 14.378,884 11.733,885 2.381,886 50,890 129.482,891 70.013,892 117.805,894 42.683,897 70.013,898 172.165,899 117.805,900 17.65,902 94.223,903 106.404,904 21.667,905 2.328,906 117.711,908 129.482,909 187.818,910 42.683,913 58.856,914 113.31,917 32.518,918 105.066,919 50.234,921 129.482,922 160.488,923 70.013,926 129.482,927 15.315,928 56.474,930 158.712,931 129.482,932 160.488,933 70.013,935 0.599,936 0.36,937 0.193,938 0.114,939 18,940 9,941 0.051,942 2,943 1,944 1.133,945 3.144,946 170.795,947 0.133,948 15,949 90.239,954 13.798,955 4.985,956 2.224,957 1.346,958 158.712,959 6.398,960 12.877,964 2.031,965 1.788,966 108.478,967 359.983,968 31,980 37.356,981 42.275,983 0.311,984 0.759,985 0.843,986 0.888,987 0.888,988 0.888,989 4.718,990 1.062,991 5.652,992 3.512,993 4.234,994 4.856,996 6.538,997 4.148,998 5.979,999 0.815,1000 7.266,1001 2.758,1002 4.007,1003 4.856,1005 7.597,1006 3.883,1007 7.325,1008 0.103,1009 8.98,1010 2.05,1011 5.9,1012 7.201,1014 10.742,1015 5.74,1016 8.712,1017 -0.294,1018 10.751,1019 0.227,1020 6.463,1021 8.029,1023 12.635,1024 6.265,1025 10.132,1026 -0.595,1027 12.558,1028 -0.685,1029 7.886,1030 9.879,1032 15.326,1033 7.657,1034 11.577,1035 -0.815,1036 14.391,1037 -1.604,1038 8.796,1039 11.093,1041 17.569,1042 8.529,1043 13.041,1044 -1,1045 16.242,1046 -2,1047 10.054,1048 12.75,1050 20.115,1051 9.754,1052 3.338,1053 -1.062,1054 18.109,1055 -2.268,1056 11.117,1057 14.146,1059 22.504,1060 10.781,1061 2.827,1062 12.086,1063 19.987,1064 -3.043,1065 12.32,1066 15.729,1068 25.007,1069 11.95,1070 2.533,1071 8.977,1072 21.876,1073 4.732,1074 13.453,1075 17.208,1077 27.456,1078 13.046,1079 2.321,1080 8.067,1081 23.773,1082 3.879,1083 14.641,1084 18.765,1086 29.947,1087 14.2,1088 1.743,1089 7.235,1090 25.677,1091 3.214,1092 15.807,1093 20.281,1095 32.421,1096 15.329,1097 1.508,1098 4.818,1099 27.587,1100 3.085,1101 16.995,1102 21.831,1104 34.91,1105 16.482,1106 1.414,1107 4.123,1108 29.503,1109 2.244,1110 18.176,1111 23.366,1113 37.394,1114 17.627,1115 3681,1116 6343,1117 14.74,1118 24.296,1119 35.678,1120 35.561,1121 37.742,1122 35.347,1123 35.327,1124 47.83,1126 107.705,1127 33.735,1128 5.427,1129 5.377,1130 6.567,1131 5.374,1132 5.338,1133 7.732,1135 19.551,1136 5.218,1137 12.257,1138 1.551,1139 1.546,1140 1.641,1141 1.537,1142 1.536,1143 2.08,1145 4.683,1146 1.467,1147 4.133,1148 4.18,1149 4.115,1150 3.994,1151 6.47,1152 4.016,1153 3.85,1154 3.883,1155 3.802,1156 3.737,1157 5.256,1158 3.751,1159 3.576,1160 3.654,1161 3.445,1162 3.406,1163 5.059,1164 3.399,1165 3.232,1166 3.315,1167 3.148,1168 3.008,1169 4.864,1170 3.039,1171 3.023,1172 3.138,1173 2.897,1174 2.746,1175 4.545,1176 2.754,1177 2.931,1178 3.028,1179 2.804,1180 2.711,1181 4.34,1182 2.744,1183 2.912,1184 3.009,1185 2.764,1186 2.638,1187 4.041,1188 2.659,1189 2.874,1190 2.97,1191 2.499,1192 2.618,1193 3.683,1194 2.57,1195 0.207,1196 0.147,1197 0.306,1198 0.187,1199 0.145,1200 4.76,1201 0.206,1202 3.377,1204 7.039,1205 0.525,1206 4.301,1207 0.14,1208 3.338,1209 4.732,1211 12.086,1212 3.218,1213 1.929,1214 1.909,1215 2,1216 2.04,1217 1.153,1218 2.024,1219 1.797,1220 1.748,1221 1.945,1222 1.99,1223 1.107,1224 1.975,1225 1.612,1226 1.548,1227 1.774,1228 1.816,1229 0.828,1230 1.815,1231 1.173,1232 1.109,1233 1.417,1234 1.439,1235 0.469,1236 1.415,1237 0.934,1238 0.839,1239 1.32,1240 1.29,1241 0.277,1242 1.308,1243 0.912,1244 0.807,1245 1.196,1246 1.239,1247 0.141,1248 1.278,1249 0.883,1250 0.804,1251 1.139,1252 1.152,1253 0.037,1254 1.132,1255 0.769,1256 0.688,1257 1.014,1258 1.124,1260 1.113,1261 3.85,1263 5.209,1264 2.398,1265 6.767,1266 4.844,1267 8.418,1268 7.081,1269 10.117,1271 4.018,1275 11.622,1276 9.797,1281 0.123,1289 23.477,1290 59.937,1291 146.343,1292 162.485,1293 171.24,1294 171.24,1295 171.24,1296 33.817,1297 6.863,1298 115.87,1299 115.87,1300 17,1301 12.548,1302 4.087,1303 3.17,1304 31.867,1305 56,1306 59,1307 0.289,1308 147.153,1309 237.29,1310 350.814,1311 7124,1313 15.146,1314 0.721,1315 0.561,1316 15.146,1317 11.778,1318 9.986,1319 0.434,1320 0.285,1321 6.459,1322 9.56,1323 6.254,1324 5.241,1325 9.986,1326 6.563,1327 9.485,1328 0.279,1329 0.151,1330 9.485,1331 5.118,1332 8.038,1333 0.171,1334 0.07,1335 8.038,1336 3.311,1337 6.619,1338 0.103,1339 0.035,1340 6.619,1341 2.248,1342 5.55,1343 0.066,1344 0.018,1345 5.55,1346 1.554,1347 0.427,1348 62.925,1349 0.26,1350 20.069,1351 0.881,1352 114,1353 327.355,1354 126.567,1355 325.298,1356 453.77,1357 302,1358 138,1359 354.168,1360 151.678,1361 358.901,1362 527.3,1363 337,1364 4.565}
{0 CHEMBL1242852,1 1.581,2 10.414,3 4.284,4 18.354,5 112.643,6 7.406,7 0.625,8 4.077,9 4.207,10 3.644,11 3.569,12 5.204,13 3.562,14 4.615,15 4.801,16 4.08,17 3.97,18 5.737,19 3.958,20 4.835,21 5.018,22 4.11,23 4.115,24 5.929,25 4.083,26 4.984,27 5.231,28 4.162,29 4.137,30 6.096,31 4.091,32 4.847,33 5.045,34 3.993,35 4.07,36 6.005,37 4.03,38 4.783,39 4.97,40 3.964,41 4.121,42 5.861,43 4.04,44 4.931,45 5.189,46 3.745,47 4.098,48 5.852,49 3.946,50 4.81,51 5.113,52 3.544,53 3.841,54 5.679,55 3.67,56 0.061,57 0.833,58 11.02,59 4.436,60 11.323,61 6.071,62 0.4,63 1.304,64 21.226,65 7.388,66 35.811,67 10.562,68 0.374,69 1.548,70 26.904,71 8.665,72 36.059,73 12.112,74 0.467,75 1.667,76 33.62,77 10.305,78 57.093,79 15.254,80 0.55,81 1.496,82 28.372,83 8.01,84 71.536,85 11.216,86 0.241,87 1.513,88 24.621,89 9.274,90 35.73,91 13.076,92 0.306,93 1.573,94 31.192,95 10.806,96 45.403,97 16.276,98 0.414,99 1.243,100 29.915,101 10.09,102 47.325,103 15.403,104 56,105 49,106 0.261,107 0.617,108 0.704,109 0.774,110 0.78,111 0.78,112 3.409,113 0.89,114 -4.67,115 -4.59,116 -4.32,118 39.6,119 5,126 1,128 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,154 1,156 1,158 1,159 1,160 1,161 1,167 5,170 5,171 13,172 1,173 1,175 1,178 10,180 1,181 1,182 7,188 6,191 2,192 21,194 3,195 3,197 1,199 5,201 1,204 11,208 2,211 3,213 2,214 1,215 10,220 4,223 13,225 4,227 1,228 2,233 1,235 10,237 1,239 4,240 2,242 1,243 1,247 5,251 2,252 2,264 1243,265 18.74,266 18.74,267 18.74,268 18.74,269 18.74,270 16.412,271 18.93,272 10.514,273 19.226,274 15.787,275 15.787,276 15.787,277 15.787,278 15.787,279 12.085,280 20.54,281 4.956,282 16.569,283 4.147,284 1.983,285 1.46,286 1.034,287 0.996,288 0.996,289 4.095,293 1,294 1,295 646,296 4.183,299 120.57,300 141.361,303 219.401,307 1.819,308 27.931,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 63,320 302,321 4.766,322 3.844,323 7.04,324 4.308,325 3.343,326 4.742,327 2.172,328 12.09,329 3.227,330 4.588,331 3.376,332 6.714,333 4.149,334 3.207,335 4.52,336 0.262,337 10.894,338 3.023,339 4.151,340 3.25,341 6.418,342 4,343 3.042,344 3.453,346 10.044,347 2.897,348 3.916,349 2.914,350 6.145,351 3.571,352 2.61,353 3.208,355 8.818,356 2.502,357 3.78,358 2.67,359 5.787,360 3.406,361 2.45,362 3.154,364 7.702,365 2.337,366 3.541,367 2.425,368 5.515,369 3.126,370 2.152,371 2.822,373 6.85,374 2.08,375 3.051,376 1.827,377 4.82,378 2.684,379 1.743,380 2.321,382 4.818,383 1.637,384 3.016,385 1.706,386 4.538,387 2.519,388 1.546,389 2.181,391 4.248,392 1.506,393 2.972,394 1.546,395 4.381,396 2.442,397 1.478,398 2.123,400 4.054,401 1.412,402 2.638,403 1.316,404 3.921,405 2.098,406 1.146,407 1.656,409 2.944,410 1.081,411 2.478,412 1.032,413 3.852,414 1.969,415 1.007,416 1.458,417 2.695,418 0.965,419 2.136,420 0.838,421 3.489,422 1.769,423 0.806,424 1.037,425 2.033,426 0.775,427 1.976,428 0.763,429 3.222,430 1.474,431 0.498,432 0.718,433 1.269,434 0.483,435 1.062,436 0.566,437 2.891,438 0.633,439 -0.284,440 -0.359,441 -0.667,442 -0.259,443 0.888,444 -0.148,445 2.666,446 0.527,447 -0.417,448 -0.495,449 -1.179,450 -0.385,451 13.567,452 0.468,453 1.104,454 0.038,455 37.5,456 1.293,457 18,458 0.621,459 19.5,460 0.672,461 26.923,462 0.928,463 31.433,464 0.593,465 29.563,466 1.019,467 7.011,468 0.242,469 6.643,470 0.229,471 0.238,472 0.037,473 0.391,478 0.8,479 1.411,480 0.782,481 1.163,482 0.791,483 0.995,484 0.611,485 1.032,486 0.61,487 0.848,488 0.428,489 0.744,490 1.464,491 1.222,492 1.09,493 1.054,494 0.931,495 1.024,496 0.962,497 0.914,498 0.749,499 0.844,500 0.99,501 0.77,502 1.931,503 0.934,504 1.328,505 0.851,506 2.244,507 0.968,508 0.912,509 1.282,510 1.173,511 1.287,512 0.954,513 1.277,514 0.627,515 1.122,516 1.142,517 1.247,518 0.703,519 1.266,520 0.349,521 0.839,522 0.763,523 0.976,524 0.459,525 0.949,526 7.5,527 0.183,528 4,529 3.111,530 2.372,531 1.198,532 0.97,533 0.458,534 0.371,535 0.309,536 9954,537 25487,538 2.021,539 45.3,541 5,542 1,543 1,544 2,546 15,549 1.72,550 1.822,551 3.327,552 0.262,554 1,558 83.792,559 1.581,560 3.745,561 4.268,562 4.694,563 4.732,564 4.732,565 2.755,566 4.487,567 4.828,568 3.553,569 1442.59,570 8.415,571 19017.6,573 1,575 1,576 303.58,577 1.723,578 4.745,579 0.234,580 0.009,581 0.082,582 0.063,583 0.047,584 0.028,585 0.023,586 0.015,587 0.015,588 0.015,589 0.53,590 0.17,591 1,592 1.264,593 145.816,595 -0.172,596 0.064,597 -0.084,598 -0.134,599 -0.013,600 0.361,601 0.086,602 0.32,603 0.17,604 0.271,605 0.228,606 -0.237,607 -0.129,608 -0.137,609 -0.059,610 -0.113,611 -0.083,612 0.076,613 0.073,614 0.249,615 0.115,616 0.142,617 0.198,618 -0.479,619 0.147,620 -0.335,621 0.093,622 -0.377,623 -0.066,624 -0.14,625 -0.173,626 -0.283,627 -0.237,628 -0.142,629 -0.281,630 -0.036,631 -0.137,632 -0.206,633 -0.238,634 -0.112,635 -0.247,636 0.304,637 0.007,638 0.236,639 0.022,640 0.179,641 0.099,642 2.076,643 5.48,644 0.621,645 28.124,646 1.004,647 1.135,648 3.443,649 11.855,650 0.657,651 3.497,652 3.912,653 4.19,654 4.543,655 4.771,656 4.949,657 5.106,658 5.288,659 5.384,660 5.553,661 6.446,662 0.628,663 392.51,664 3.497,665 5.094,666 5.969,667 6.901,668 7.799,669 8.733,670 9.643,671 10.577,672 11.493,673 12.426,674 11.3,678 1,682 2,684 3,689 4,690 6,691 3,695 3,696 2,697 20,708 1,712 1,716 53,718 21,719 1,720 32,722 56,723 21,724 13,725 3,726 3,727 1,728 4,729 6,732 5,738 1,740 14,741 7,742 1,744 1,749 1,753 1,757 1,760 24,761 6,762 2,763 8,769 6,775 0.5,776 2,785 1,788 1,789 1,793 2,794 2,797 2,819 2,823 5,827 29,828 1,835 1,837 1,839 1,850 3.8,853 1,855 1,858 15.917,859 11.25,860 6.042,861 3.183,863 4.162,864 1.52,865 0.973,866 4.68,867 12.161,868 3.784,869 4.494,870 5.178,871 5.891,872 6.454,873 6.938,874 7.452,875 7.993,876 8.367,877 8.859,878 0.857,879 49,880 10.707,881 4.609,882 7.756,883 20.294,884 16.755,885 2.256,886 65.417,888 1,889 1,890 258.964,891 123.735,892 86.807,894 36.145,897 123.735,898 295.109,899 86.807,900 44.126,902 79.85,903 88.865,904 34.382,905 23.006,906 235.422,908 258.964,909 210.542,910 36.145,913 82.398,914 212.711,917 60.892,918 99.416,919 50.234,921 258.964,922 122.952,923 123.735,926 258.964,927 24.038,928 103.373,930 119.276,931 258.964,932 122.952,933 123.735,935 0.607,936 0.339,937 0.193,938 0.105,939 26,940 13,941 0.071,942 4,943 2,944 1.222,945 3.84,946 270.503,947 0.222,948 18,949 134.127,954 19.558,955 6.94,956 3.521,957 3.094,958 119.276,959 10.827,960 13.268,964 1.993,965 3.353,966 32.897,967 505.651,968 43,973 12.48,977 -0.41,980 53.218,981 60.145,983 0.276,984 0.654,985 0.745,986 0.82,987 0.826,988 0.826,989 5.069,990 1.546,991 6.033,992 4.818,993 4.595,994 5.182,995 2.221,996 6.946,997 4.504,998 6.347,999 1.478,1000 7.662,1001 4.248,1002 4.511,1003 5.255,1004 1.784,1005 8.146,1006 4.379,1007 7.709,1008 1.146,1009 9.393,1010 4.054,1011 6.333,1012 7.541,1013 3.463,1014 11.207,1015 6.149,1016 9.107,1017 1.007,1018 11.18,1019 2.944,1020 6.995,1021 8.42,1022 3.553,1023 13.157,1024 6.766,1025 10.536,1026 0.806,1027 13.001,1028 2.695,1029 8.384,1030 10.24,1031 4.87,1032 15.8,1033 8.11,1034 11.987,1035 0.498,1036 14.844,1037 2.033,1038 9.346,1039 11.488,1040 5.235,1041 18.042,1042 9.026,1043 13.455,1044 -0.284,1045 16.703,1046 1.269,1047 10.589,1048 13.131,1049 6.339,1050 20.552,1051 10.227,1052 3.343,1053 -0.417,1054 18.574,1055 -0.667,1056 11.675,1057 14.545,1058 6.865,1059 22.917,1060 11.267,1061 3.207,1062 12.09,1063 20.454,1064 -1.179,1065 12.869,1066 16.121,1067 7.84,1068 25.387,1069 12.42,1070 3.042,1071 10.894,1072 22.341,1073 4.742,1074 14.007,1075 17.608,1076 8.462,1077 27.805,1078 13.515,1079 2.61,1080 10.044,1081 24.235,1082 4.52,1083 15.187,1084 19.159,1085 9.359,1086 30.267,1087 14.654,1088 2.45,1089 8.818,1090 26.134,1091 3.453,1092 16.349,1093 20.677,1094 10.041,1095 32.711,1096 15.774,1097 2.152,1098 7.702,1099 28.037,1100 3.208,1101 17.527,1102 22.22,1103 10.891,1104 35.174,1105 16.913,1106 1.743,1107 6.85,1108 29.944,1109 3.154,1110 18.699,1111 23.752,1112 11.609,1113 37.633,1114 18.045,1115 9709,1116 15708,1117 20.403,1118 34.796,1119 51.082,1120 51.493,1121 52.06,1122 50.085,1123 50.058,1124 66.792,1125 4.868,1126 156.918,1127 47.847,1128 5.618,1129 5.844,1130 6.568,1131 5.383,1132 5.343,1133 7.742,1134 3.872,1135 19.573,1136 5.227,1137 18.692,1138 1.596,1139 1.609,1140 1.627,1141 1.565,1142 1.564,1143 2.087,1144 0.152,1145 4.904,1146 1.495,1147 4.186,1148 4.223,1149 4.162,1150 4.081,1151 7.434,1152 4.094,1153 4.037,1154 4.083,1155 4.015,1156 3.876,1157 5.257,1158 3.906,1159 3.722,1160 3.767,1161 3.607,1162 3.558,1163 4.931,1164 3.557,1165 3.578,1166 3.655,1167 3.445,1168 3.414,1169 4.828,1170 3.404,1171 3.453,1172 3.5,1173 3.379,1174 3.301,1175 4.551,1176 3.316,1177 3.151,1178 3.233,1179 3.071,1180 2.924,1181 4.502,1182 2.934,1183 3.094,1184 3.12,1185 2.988,1186 2.865,1187 4.199,1188 2.917,1189 2.988,1190 3.094,1191 2.868,1192 2.681,1193 4.021,1194 2.721,1195 0.149,1196 0.12,1197 0.22,1198 0.135,1199 0.104,1200 4.766,1201 0.148,1202 3.844,1203 0.068,1204 7.04,1205 0.378,1206 4.308,1207 0.101,1208 3.343,1209 4.742,1210 2.172,1211 12.09,1212 3.227,1213 1.969,1214 1.95,1215 2.034,1216 2.056,1217 1.199,1218 2.046,1219 1.809,1220 1.763,1221 1.949,1222 2.009,1223 1.143,1224 1.985,1225 1.703,1226 1.656,1227 1.944,1228 1.909,1229 1.118,1230 1.915,1231 1.62,1232 1.556,1233 1.78,1234 1.82,1235 0.867,1236 1.82,1237 1.514,1238 1.463,1239 1.649,1240 1.715,1241 0.704,1242 1.702,1243 1.2,1244 1.152,1245 1.417,1246 1.417,1247 0.469,1248 1.394,1249 0.971,1250 0.916,1251 1.417,1252 1.274,1253 0.469,1254 1.308,1255 0.934,1256 0.804,1257 1.417,1258 1.239,1259 0.469,1260 1.308,1261 4.174,1263 5.565,1264 3.045,1265 7.128,1266 5.476,1267 8.776,1268 7.662,1269 10.471,1271 9.614,1275 6.153,1279 5.483,1281 0.123,1283 -0.562,1289 33.299,1290 83.792,1291 198.46,1292 226.222,1293 248.786,1294 250.786,1295 250.786,1296 50.925,1297 7.998,1298 100.85,1299 100.85,1300 22,1301 12.929,1302 4.459,1303 3.585,1304 44.72,1305 113,1306 104,1307 0.2,1308 205.048,1309 338.64,1310 492.076,1311 31697,1313 20.922,1314 0.721,1315 0.592,1316 20.922,1317 17.171,1318 13.654,1319 0.427,1320 0.297,1321 9.346,1322 13.041,1323 8.92,1324 7.509,1325 13.654,1326 9.49,1327 13.937,1328 0.284,1329 0.169,1330 13.937,1331 8.284,1332 10.567,1333 0.163,1334 0.07,1335 10.567,1336 4.561,1337 9.693,1338 0.104,1339 0.036,1340 9.693,1341 3.318,1342 7.531,1343 0.064,1344 0.019,1345 7.531,1346 2.199,1347 0.311,1348 85.941,1349 0.221,1350 27.129,1351 0.561,1352 162,1353 461.009,1354 181.601,1355 447.98,1356 627.97,1357 418,1358 195,1359 493.075,1360 214.442,1361 497.117,1362 733.57,1363 465,1364 6.452}
{0 CHEMBL1242853,1 1.556,2 11.065,3 4.96,4 24.601,5 119.889,6 7.343,7 0.571,8 4.157,9 4.285,10 3.723,11 3.67,12 5.233,13 3.658,14 4.725,15 4.904,16 4.159,17 4.103,18 5.79,19 4.075,20 4.985,21 5.191,22 4.161,23 4.22,24 5.985,25 4.163,26 5.055,27 5.311,28 4.228,29 4.198,30 6.126,31 4.154,32 4.912,33 5.105,34 4.107,35 4.164,36 6.052,37 4.13,38 4.881,39 5.067,40 4.082,41 4.239,42 5.913,43 4.162,44 5.014,45 5.255,46 3.94,47 4.238,48 5.924,49 4.102,50 4.964,51 5.254,52 3.698,53 4.034,54 5.84,55 3.866,56 0.051,57 0.9,58 12.045,59 4.961,60 11.111,61 6.752,62 0.382,63 1.461,64 23.485,65 8.648,66 35.383,67 12.199,68 0.366,69 1.745,70 32.193,71 10.594,72 40.416,73 15.067,74 0.482,75 1.802,76 36.533,77 10.976,78 59.074,79 16.381,80 0.542,81 1.64,82 30.161,83 8.533,84 71.938,85 11.951,86 0.258,87 1.687,88 27.316,89 10.195,90 37.136,91 14.358,92 0.238,93 1.783,94 33.042,95 12.107,96 39.253,97 17.919,98 0.456,99 1.524,100 34.103,101 11.517,102 55.594,103 17.432,104 29,105 53,106 0.252,107 0.612,108 0.737,109 0.782,110 0.788,111 0.788,112 3.473,113 0.913,114 -5.11,115 -5,116 -4.69,118 40.4,119 3,120 4,126 1,128 1,138 4,139 3,142 1,143 1,144 1,147 1,148 1,154 1,156 1,158 1,159 1,160 1,161 1,167 8,170 5,171 13,172 1,173 1,175 1,178 12,180 1,181 1,182 9,188 6,191 2,192 23,194 3,195 3,197 1,199 5,201 1,204 13,208 2,211 5,213 2,214 1,215 10,220 4,223 15,225 4,227 1,228 4,233 3,235 14,237 3,239 4,240 2,242 1,243 1,247 9,251 2,252 2,260 2,264 1531,265 20.602,266 20.602,267 20.602,268 20.602,269 20.602,270 18.273,271 18.93,272 11.735,273 21.07,274 17.307,275 17.307,276 17.307,277 17.307,278 17.307,279 13.619,280 20.54,281 5.571,282 18.078,283 4.277,284 2.058,285 1.286,286 1.005,287 0.97,288 0.97,289 4.175,293 1,294 1,295 756,296 3.873,299 197.347,300 150.129,303 232.353,307 1.809,308 28.992,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 67,320 343,321 4.77,322 3.844,323 7.051,324 4.316,325 3.352,326 4.743,327 2.172,328 12.149,329 3.234,330 4.589,331 3.39,332 6.714,333 4.15,334 3.209,335 4.52,336 0.262,337 10.896,338 3.025,339 4.152,340 3.251,341 6.419,342 4.001,343 3.044,344 3.456,346 10.046,347 2.898,348 3.941,349 2.926,350 6.242,351 3.674,352 2.707,353 3.233,355 9.236,356 2.614,357 3.821,358 2.767,359 5.834,360 3.454,361 2.488,362 3.157,364 7.937,365 2.396,366 3.542,367 2.426,368 5.519,369 3.126,370 2.153,371 2.822,373 6.868,374 2.08,375 3.239,376 2.04,377 5.078,378 2.948,379 1.993,380 2.366,382 5.689,383 1.898,384 3.047,385 1.708,386 4.538,387 2.519,388 1.548,389 2.318,391 4.255,392 1.507,393 2.977,394 1.547,395 4.381,396 2.444,397 1.481,398 2.169,400 4.061,401 1.413,402 2.653,403 1.418,404 4.235,405 2.307,406 1.344,407 1.699,409 3.529,410 1.291,411 2.608,412 1.311,413 3.915,414 2.096,415 1.144,416 1.612,417 2.929,418 1.08,419 2.414,420 1.005,421 3.658,422 1.929,423 0.973,424 1.378,425 2.502,426 0.926,427 1.993,428 0.764,429 3.251,430 1.664,431 0.684,432 0.805,433 1.743,434 0.669,435 1.849,436 0.703,437 3.221,438 1.618,439 0.618,440 0.704,441 1.372,442 0.618,443 1.618,444 0.618,445 3,446 1.472,447 0.496,448 0.618,449 1.267,450 0.481,451 14.567,452 0.47,453 1.029,454 0.033,455 39,456 1.258,457 18,458 0.581,459 21,460 0.677,461 29.865,462 0.963,463 33.433,464 0.587,465 30.222,466 0.975,467 6.986,468 0.225,469 7.829,470 0.253,471 0.153,472 0.034,473 0.364,478 0.785,479 1.359,480 0.781,481 1.13,482 0.732,483 0.978,484 0.595,485 1.079,486 0.706,487 0.953,488 0.413,489 0.862,490 1.309,491 1.225,492 1.042,493 1.078,494 0.831,495 1.037,496 1.002,497 0.879,498 0.711,499 0.762,500 0.983,501 0.695,502 1.988,503 0.937,504 1.295,505 0.807,506 2.285,507 0.918,508 0.97,509 1.204,510 1.175,511 1.201,512 1.009,513 1.214,514 0.59,515 1.232,516 1.113,517 1.297,518 0.656,519 1.282,520 0.496,521 0.883,522 0.938,523 1.037,524 0.623,525 1.051,526 7,527 0.183,528 4,529 2.889,530 2.212,531 1.167,532 0.955,533 0.471,534 0.346,535 0.3,536 12684,537 29923,538 2.112,539 45.6,540 4,541 5,542 1,543 1,544 2,546 13,549 1.738,550 1.948,551 3.41,552 0.225,558 88.712,559 1.556,560 3.775,561 4.547,562 4.828,563 4.863,564 4.863,565 2.934,566 4.607,567 4.923,568 3.628,569 1687.17,570 8.611,571 23274.9,573 1,576 332.475,577 1.633,578 4.868,579 0.2,580 0.008,581 0.075,582 0.057,583 0.04,584 0.024,585 0.02,586 0.012,587 0.012,588 0.012,589 0.46,590 0.17,591 0.88,592 1.064,593 159.337,594 0.008,595 -0.13,596 0.071,597 -0.052,598 -0.073,599 0.007,600 0.338,601 0.042,602 0.214,603 0.076,604 0.261,605 0.117,606 -0.153,607 -0.187,608 -0.073,609 -0.086,610 -0.043,611 -0.075,612 0.081,613 0.11,614 0.301,615 0.18,616 0.158,617 0.263,618 -0.48,619 0.171,620 -0.297,621 0.127,622 -0.368,623 -0.025,624 -0.168,625 -0.083,626 -0.277,627 -0.166,628 -0.182,629 -0.229,630 -0.016,631 -0.219,632 -0.192,633 -0.274,634 -0.081,635 -0.263,636 0.191,637 0.022,638 0.048,639 -0.053,640 0.066,641 -0.03,642 2.066,643 5.552,644 0.742,645 31.288,646 1.002,647 1.133,648 3.877,649 15.029,650 0.659,651 3.584,652 3.989,653 4.29,654 4.654,655 4.868,656 5.081,657 5.293,658 5.497,659 5.613,660 5.762,661 6.727,662 0.629,663 418.55,664 3.584,665 5.176,666 6.057,667 6.986,668 7.887,669 8.82,670 9.733,671 10.667,672 11.586,673 12.521,674 10.5,678 1,682 2,684 3,689 4,690 6,691 3,695 3,696 2,697 20,708 1,712 1,716 57,718 21,719 1,720 35,722 61,723 23,724 13,725 3,726 3,727 1,728 5,729 7,732 3,735 5,738 5,740 14,741 9,742 1,744 1,749 1,753 1,760 26,761 6,762 2,763 8,769 6,775 0.6,776 2,785 1,788 1,789 1,793 3,794 2,797 2,819 3,823 3,827 31,828 1,833 4,835 1,837 1,839 1,850 3.5,853 1,855 1,858 15.917,859 11.25,860 6.458,861 3.6,863 4.138,864 1.496,865 0.998,866 4.836,867 12.481,868 3.85,869 4.538,870 5.216,871 5.926,872 6.488,873 6.987,874 7.521,875 8.065,876 8.45,877 8.938,878 1,879 51,880 11.494,881 5.046,882 7.675,883 22.146,884 18.944,885 2.175,886 67.417,888 1,889 1,890 282.506,891 116.223,892 86.807,894 36.145,897 116.223,898 318.651,899 86.807,900 26.476,901 10.138,902 79.85,903 88.865,904 34.382,905 23.006,906 258.964,908 282.506,909 203.03,910 36.145,913 129.482,914 189.169,917 53.38,918 99.416,919 50.234,921 282.506,922 122.952,923 116.223,926 282.506,927 34.176,928 85.722,930 119.276,931 282.506,932 122.952,933 116.223,935 0.601,936 0.341,937 0.198,938 0.102,939 29,940 13,941 0.066,942 4,943 2,944 1.174,945 4.102,946 303.465,947 0.174,948 23,949 142.825,954 20.166,955 7.434,956 3.622,957 3.255,958 119.276,959 11.015,960 13.641,964 2.111,965 3.544,966 32.897,967 521.681,968 46,973 12.552,977 -0.399,980 57.101,981 64.561,983 0.267,984 0.647,985 0.78,986 0.828,987 0.834,988 0.834,989 5.136,990 1.548,991 6.103,992 5.689,993 4.673,994 5.226,995 2.221,996 7.008,997 4.589,998 6.393,999 1.481,1000 7.721,1001 4.255,1002 4.511,1003 5.255,1004 1.784,1005 8.181,1006 4.379,1007 7.747,1008 1.344,1009 9.443,1010 4.061,1011 6.395,1012 7.56,1013 3.463,1014 11.257,1015 6.222,1016 9.139,1017 1.144,1018 11.224,1019 3.529,1020 7.022,1021 8.427,1022 3.553,1023 13.201,1024 6.798,1025 10.564,1026 0.973,1027 13.041,1028 2.929,1029 8.433,1030 10.249,1031 4.87,1032 15.847,1033 8.169,1034 12.011,1035 0.684,1036 14.882,1037 2.502,1038 9.38,1039 11.493,1040 5.235,1041 18.088,1042 9.066,1043 13.477,1044 0.618,1045 16.74,1046 1.743,1047 10.63,1048 13.135,1049 6.339,1050 20.6,1051 10.276,1052 3.352,1053 0.496,1054 18.61,1055 1.372,1056 11.71,1057 14.549,1058 6.865,1059 22.965,1060 11.308,1061 3.209,1062 12.149,1063 20.49,1064 1.267,1065 12.906,1066 16.124,1067 7.84,1068 25.437,1069 12.464,1070 3.044,1071 10.896,1072 22.377,1073 4.743,1074 14.042,1075 17.61,1076 8.462,1077 27.857,1078 13.554,1079 2.707,1080 10.046,1081 24.27,1082 4.52,1083 15.223,1084 19.162,1085 9.359,1086 30.321,1087 14.695,1088 2.488,1089 9.236,1090 26.169,1091 3.456,1092 16.383,1093 20.679,1094 10.041,1095 32.769,1096 15.812,1097 2.153,1098 7.937,1099 28.073,1100 3.233,1101 17.562,1102 22.223,1103 10.891,1104 35.235,1105 16.951,1106 1.993,1107 6.868,1108 29.98,1109 3.157,1110 18.735,1111 23.754,1112 11.609,1113 37.698,1114 18.083,1115 11953,1116 18546,1117 23.175,1118 37.557,1119 54.996,1120 55.7,1121 55.312,1122 54.55,1123 54.467,1124 71.198,1125 4.868,1126 168.962,1127 52.26,1128 5.672,1129 5.844,1130 6.647,1131 5.392,1132 5.352,1133 7.743,1134 3.872,1135 19.697,1136 5.234,1137 16.588,1138 1.571,1139 1.591,1140 1.58,1141 1.559,1142 1.556,1143 2.034,1144 0.139,1145 4.827,1146 1.493,1147 4.191,1148 4.23,1149 4.166,1150 4.084,1151 7.434,1152 4.098,1153 4.048,1154 4.092,1155 4.021,1156 3.896,1157 5.257,1158 3.921,1159 3.797,1160 3.854,1161 3.672,1162 3.68,1163 4.931,1164 3.672,1165 3.718,1166 3.764,1167 3.603,1168 3.555,1169 4.826,1170 3.554,1171 3.454,1172 3.504,1173 3.385,1174 3.303,1175 4.551,1176 3.317,1177 3.246,1178 3.332,1179 3.173,1180 2.966,1181 4.501,1182 3.003,1183 3.102,1184 3.12,1185 3.021,1186 2.899,1187 4.227,1188 2.927,1189 2.996,1190 3.094,1191 2.889,1192 2.756,1193 4.1,1194 2.784,1195 0.136,1196 0.11,1197 0.201,1198 0.123,1199 0.096,1200 4.77,1201 0.136,1202 3.844,1203 0.062,1204 7.051,1205 0.347,1206 4.316,1207 0.092,1208 3.352,1209 4.743,1210 2.172,1211 12.149,1212 3.234,1213 1.969,1214 1.95,1215 2.034,1216 2.055,1217 1.244,1218 2.045,1219 1.803,1220 1.759,1221 1.946,1222 1.998,1223 1.211,1224 1.967,1225 1.702,1226 1.656,1227 1.893,1228 1.906,1229 1.196,1230 1.913,1231 1.597,1232 1.539,1233 1.86,1234 1.793,1235 1.118,1236 1.793,1237 1.577,1238 1.507,1239 1.756,1240 1.751,1241 0.877,1242 1.786,1243 1.513,1244 1.463,1245 1.649,1246 1.712,1247 0.704,1248 1.7,1249 1.195,1250 1.15,1251 1.417,1252 1.397,1253 0.469,1254 1.379,1255 0.969,1256 0.916,1257 1.417,1258 1.273,1259 0.469,1260 1.308,1261 4.263,1263 5.645,1264 3.434,1265 7.203,1266 5.778,1267 8.845,1268 7.888,1269 10.536,1271 5.562,1275 6.252,1277 4.591,1279 5.514,1281 0.336,1283 -0.558,1289 35.826,1290 88.712,1291 215.151,1292 259.191,1293 275.191,1294 277.191,1295 277.191,1296 51.496,1297 8.343,1298 100.85,1299 100.85,1300 27,1301 13.022,1302 4.459,1303 3.585,1304 43.608,1305 125,1306 120,1307 0.173,1308 216.839,1309 360.88,1310 520.847,1311 48753,1313 21.75,1314 0.702,1315 0.581,1316 21.75,1317 18,1318 14.815,1319 0.423,1320 0.304,1321 10.508,1322 14.212,1323 10.175,1324 8.465,1325 14.815,1326 10.652,1327 14.738,1328 0.278,1329 0.172,1330 14.738,1331 9.129,1332 11.716,1333 0.163,1334 0.08,1335 11.716,1336 5.743,1337 10.855,1338 0.104,1339 0.042,1340 10.855,1341 4.361,1342 8.16,1343 0.063,1344 0.02,1345 8.16,1346 2.59,1347 0.269,1348 92.912,1349 0.208,1350 28.735,1351 0.485,1352 176,1353 475.009,1354 195.601,1355 461.5,1356 650.13,1357 432,1358 213,1359 511.075,1360 232.775,1361 514.389,1362 762.45,1363 483,1364 6.06}
{0 CHEMBL1242977,1 1.765,2 14.057,3 5.49,4 30.138,5 126.294,6 8.718,7 0.632,8 4.128,9 4.235,10 3.809,11 3.661,12 5.388,13 3.684,14 4.63,15 4.776,16 4.235,17 4.006,18 6.277,19 4.025,20 4.795,21 4.954,22 4.253,23 4.11,24 6.11,25 4.121,26 4.9,27 5.083,28 4.212,29 4.078,30 6.245,31 4.095,32 4.836,33 5.01,34 4.209,35 4.102,36 6.16,37 4.104,38 4.888,39 5.077,40 4.208,41 4.13,42 6.407,43 4.099,44 4.839,45 5.037,46 4.009,47 4.116,48 6.009,49 4.043,50 4.826,51 5.055,52 3.925,53 4.002,54 5.969,55 3.931,56 0.195,57 1.03,58 7.795,59 4.712,60 24.079,61 5.022,62 0.983,63 1.925,64 16.966,65 7.744,66 142.398,67 8.536,68 0.548,69 1.754,70 20.17,71 9.149,72 47.374,73 10.34,74 1.037,75 1.885,76 26.713,77 9.625,78 110.531,79 9.848,80 0.761,81 1.816,82 23.106,83 9.562,84 88.088,85 10.521,86 1.282,87 1.791,88 26.19,89 9.982,90 172.152,91 11.891,92 0.734,93 1.669,94 24.255,95 10.658,96 85.404,97 12.994,98 0.655,99 1.64,100 26.044,101 10.107,102 57.01,103 12.944,104 41,105 54,106 0.287,107 0.617,108 0.782,109 0.886,110 0.898,111 0.898,112 3.588,113 0.827,114 -5.2,115 -5.09,116 -4.77,118 45.5,119 1,123 1,130 1,138 10,139 4,140 2,141 2,142 1,143 1,146 1,153 1,167 11,170 2,171 9,173 3,175 3,178 11,182 8,186 4,188 7,191 2,192 11,197 5,199 6,204 7,206 1,208 2,211 11,214 2,215 4,218 2,220 1,223 16,227 1,228 4,231 1,233 1,235 14,240 4,245 3,247 4,251 1,252 7,255 1,257 5,260 2,264 2240,265 23.22,266 23.22,267 23.22,268 23.22,269 23.22,270 20.254,271 25.709,272 13.529,273 23.887,274 18.705,275 18.705,276 18.705,277 18.705,278 18.705,279 14.196,280 35.292,281 6.349,282 19.852,283 4.016,284 1.987,285 0.972,286 0.332,287 0.259,288 0.259,289 4.28,293 1,294 1,295 1050,296 4.062,300 494.11,307 2.287,308 54.47,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 79,320 492,321 4.47,322 4.461,323 7.118,324 4.191,325 3.324,326 4.08,327 3.825,328 11.699,329 2.97,330 4.414,331 3.572,332 6.525,333 4.018,334 3.063,335 3.94,336 1.058,337 10.295,338 2.927,339 4.238,340 3.282,341 6.101,342 3.854,343 2.879,344 3.867,345 0.86,346 8.902,347 2.779,348 4.047,349 2.964,350 6.019,351 3.709,352 2.73,353 3.438,354 0.4,355 8.577,356 2.622,357 3.879,358 2.644,359 5.466,360 3.404,361 2.487,362 3.336,364 7.218,365 2.275,366 3.528,367 2.397,368 5.25,369 3.152,370 2.201,371 2.84,373 6.625,374 2.084,375 3.286,376 2.288,377 4.99,378 2.863,379 1.93,380 2.557,382 5.642,383 1.793,384 3.161,385 2.089,386 4.654,387 2.71,388 1.747,389 2.346,391 4.872,392 1.645,393 2.925,394 1.727,395 4.212,396 2.494,397 1.524,398 2.092,400 3.805,401 1.472,402 2.789,403 1.606,404 3.973,405 2.324,406 1.342,407 1.914,409 3.216,410 1.313,411 2.743,412 1.45,413 3.945,414 2.244,415 1.291,416 1.851,417 3.086,418 1.226,419 2.611,420 1.331,421 3.601,422 2.138,423 1.167,424 1.628,425 2.873,426 1.111,427 2.536,428 1.15,429 3.472,430 2.035,431 1.03,432 1.505,433 2.444,434 1.031,435 2.5,436 1,437 3.47,438 1.938,439 1,440 1.5,441 2.421,442 0.935,443 1.676,444 0.771,445 3.049,446 1.341,447 0.43,448 0.488,449 0.952,450 0.391,451 16.024,452 0.458,453 1.017,454 0.029,455 50,456 1.429,457 27,458 0.771,459 23,460 0.657,461 26.305,462 0.752,463 37.376,464 0.68,465 43.806,466 1.252,467 10.32,468 0.295,469 6.42,470 0.183,471 0.137,472 0.031,473 0.312,476 3,478 0.643,479 1.032,480 0.633,481 1.026,482 0.603,483 0.879,484 0.482,485 0.728,486 0.654,487 0.898,488 0.403,489 0.858,490 0.811,491 1.031,492 0.816,493 1.138,494 0.619,495 1.022,496 1.332,497 0.958,498 1.151,499 0.901,500 1.136,501 0.932,502 1.001,503 0.999,504 0.974,505 1.031,506 0.969,507 1.002,508 0.632,509 0.627,510 0.963,511 0.863,512 0.625,513 0.993,514 0.633,515 0.828,516 1.035,517 1.129,518 0.643,519 1.219,520 0.661,521 0.898,522 0.967,523 1.112,524 0.5,525 1.146,526 8.5,527 0.223,528 4.222,529 2.438,530 2.018,531 1.479,532 0.73,533 0.606,534 0.423,535 0.334,536 19002,537 67717,538 2.034,539 36.4,540 3,541 13,543 2,544 2,549 1.764,550 1.883,551 3.753,552 0.219,558 97.075,559 1.765,560 3.795,561 4.809,562 5.449,563 5.522,564 5.522,565 3.244,566 4.993,567 5.102,568 3.975,569 2364.95,570 8.94,571 38174.2,576 317.975,577 1.592,578 5.043,579 0.224,580 0.007,581 0.078,582 0.044,583 0.039,584 0.028,585 0.014,586 0.014,587 0.011,588 0.01,589 0.469,590 0.17,591 0.88,592 0.819,593 191.737,594 -0.058,595 -0.106,596 0.022,597 -0.046,598 -0.107,599 0.005,600 0.393,601 0.3,602 0.164,603 0.074,604 0.409,605 0.04,606 -0.073,607 -0.199,608 0.02,609 -0.175,610 0.011,611 -0.076,612 -0.25,613 -0.01,614 -0.186,615 0.045,616 -0.166,617 -0.013,618 -0.129,619 -0.106,620 -0.077,621 -0.063,622 -0.105,623 -0.051,624 0.234,625 0.244,626 -0.032,627 0.099,628 0.223,629 -0.026,630 0.011,631 -0.058,632 -0.131,633 -0.128,634 -0.037,635 -0.175,636 -0.015,637 -0.154,638 0.008,639 -0.134,640 0.038,641 -0.077,642 5.781,643 5.497,644 0.686,645 40.457,646 1.03,647 1.139,648 3.974,649 15.789,650 0.684,651 3.664,652 4.007,653 4.234,654 4.454,655 4.7,656 4.727,657 4.828,658 4.898,659 4.97,660 5.056,661 8.404,662 0.681,663 479.5,664 3.664,665 5.22,666 6.061,667 6.942,668 7.801,669 8.682,670 9.546,671 10.426,672 11.294,673 12.173,674 9.1,679 1,681 1,684 3,690 12,691 3,695 9,697 24,704 1,709 1,714 1,716 55,718 25,719 2,720 38,722 58,723 25,724 21,725 5,726 7,727 1,728 4,729 4,732 2,737 1,740 22,741 3,744 1,749 1,753 1,758 3,760 20,761 10,762 2,763 10,769 5,775 1,776 2,787 1,788 1,794 4,819 4,823 2,825 3,827 35,834 2,835 1,839 1,849 3,850 3.6,853 1,855 1,858 18.583,859 10.612,860 7.611,861 3.065,863 4.562,864 1.566,865 0.995,866 6.996,867 12.629,868 3.951,869 4.564,870 5.121,871 5.672,872 6.231,873 6.396,874 6.765,875 7.087,876 7.425,877 7.77,878 1,879 56,880 13.393,881 6.18,882 8.198,883 23.51,884 18.71,885 2.698,886 94.417,890 211.88,891 172.756,892 86.378,894 36.145,895 44.88,897 172.756,898 248.025,899 131.258,900 17.222,901 18.011,902 94.762,903 121.759,904 97.474,905 6.714,906 188.338,907 7.76,908 211.88,909 259.134,910 81.025,913 211.88,914 81.025,917 57.346,918 133.421,919 68.367,921 256.76,922 122.523,923 172.756,926 219.639,927 34.918,928 130.079,929 36.022,930 131.382,931 211.88,932 167.403,933 172.756,935 0.588,936 0.337,937 0.173,938 0.098,939 25,940 12,941 0.103,942 6,944 1,945 4.498,946 324.972,948 24,949 174.77,954 24.185,955 10.125,956 5.764,958 167.403,959 17.703,960 12.853,964 2.665,966 36.022,967 552.039,968 51,973 12.497,977 -0.653,980 56.654,981 62.666,983 0.305,984 0.656,985 0.832,986 0.943,987 0.955,988 0.955,989 5.193,990 1.747,991 6.08,992 5.642,993 4.691,994 5.252,995 3.214,996 6.911,997 4.581,998 6.423,999 1.524,1000 7.662,1001 4.872,1002 4.443,1003 5.066,1004 3.903,1005 8.009,1006 4.199,1007 7.743,1008 1.342,1009 9.351,1010 3.805,1011 6.351,1012 7.441,1013 5.436,1014 11.017,1015 6.115,1016 9.097,1017 1.291,1018 11.106,1019 3.216,1020 6.889,1021 8,1022 6.69,1023 12.911,1024 6.512,1025 10.479,1026 1.167,1027 12.903,1028 3.086,1029 8.318,1030 9.885,1031 8.059,1032 15.5,1033 7.932,1034 11.881,1035 1.03,1036 14.728,1037 2.873,1038 9.199,1039 10.805,1040 9.388,1041 17.708,1042 8.682,1043 13.298,1044 1,1045 16.576,1046 2.444,1047 10.451,1048 12.459,1049 10.734,1050 20.173,1051 9.896,1052 3.324,1053 0.43,1054 18.44,1055 2.421,1056 11.485,1057 13.576,1058 12.074,1059 22.51,1060 10.812,1061 3.063,1062 11.699,1063 20.317,1064 0.952,1065 12.672,1066 15.107,1067 13.416,1068 24.944,1069 11.938,1070 2.879,1071 10.295,1072 22.205,1073 4.08,1074 13.777,1075 16.334,1076 14.758,1077 27.336,1078 12.932,1079 2.73,1080 8.902,1081 24.103,1082 3.94,1083 14.945,1084 17.799,1085 16.1,1086 29.766,1087 14.022,1088 2.487,1089 8.577,1090 26.008,1091 3.867,1092 16.083,1093 19.091,1094 17.441,1095 32.185,1096 15.053,1097 2.201,1098 7.218,1099 27.919,1100 3.438,1101 17.248,1102 20.518,1103 18.783,1104 34.619,1105 16.128,1106 1.93,1107 6.625,1108 29.836,1109 3.336,1110 18.404,1111 21.848,1112 20.124,1113 37.052,1114 17.178,1115 18248,1116 34729,1117 24.849,1118 37.603,1119 57.829,1120 57.99,1121 58.427,1122 57.234,1123 57.057,1124 75.708,1125 12.287,1126 166.493,1127 53.858,1128 5.31,1129 6.461,1130 6.799,1131 5.274,1132 5.324,1133 7.08,1134 5.335,1135 18.726,1136 4.97,1137 19.967,1138 1.522,1139 1.526,1140 1.538,1141 1.506,1142 1.501,1143 1.992,1144 0.323,1145 4.381,1146 1.417,1147 4.022,1148 4.05,1149 3.984,1150 3.923,1151 8.513,1152 3.932,1153 3.942,1154 3.972,1155 3.908,1156 3.849,1157 7.999,1158 3.857,1159 3.876,1160 3.907,1161 3.829,1162 3.796,1163 7.999,1164 3.8,1165 3.694,1166 3.752,1167 3.64,1168 3.519,1169 7.429,1170 3.541,1171 3.428,1172 3.46,1173 3.43,1174 3.175,1175 5.07,1176 3.22,1177 3.306,1178 3.407,1179 3.184,1180 3.065,1181 4.915,1182 3.065,1183 3.239,1184 3.3,1185 3.123,1186 3.016,1187 4.723,1188 3.024,1189 3.124,1190 3.19,1191 2.943,1192 2.926,1193 4.656,1194 2.939,1195 0.118,1196 0.117,1197 0.187,1198 0.11,1199 0.087,1200 4.47,1201 0.107,1202 4.461,1203 0.101,1204 7.118,1205 0.308,1206 4.191,1207 0.078,1208 3.324,1209 4.08,1210 3.825,1211 11.699,1212 2.97,1213 1.946,1214 1.924,1215 2.035,1216 2.063,1217 1.146,1218 2.051,1219 1.906,1220 1.883,1221 1.993,1222 2.023,1223 1.1,1224 2.012,1225 1.858,1226 1.828,1227 1.954,1228 1.962,1229 1.023,1230 1.962,1231 1.626,1232 1.572,1233 1.765,1234 1.828,1235 0.738,1236 1.813,1237 1.286,1238 1.245,1239 1.611,1240 1.559,1241 0.624,1242 1.582,1243 1.285,1244 1.185,1245 1.555,1246 1.554,1247 0.614,1248 1.525,1249 1.161,1250 1.102,1251 1.317,1252 1.417,1253 0.334,1254 1.397,1255 1.045,1256 1,1257 1.204,1258 1.328,1259 0.255,1260 1.29,1261 4.344,1263 5.68,1265 7.207,1267 8.815,1269 10.462,1271 3.498,1273 38.845,1278 5.503,1279 6.036,1283 -4.531,1289 37.428,1290 97.075,1291 208.716,1292 264.491,1293 299.71,1294 303.71,1295 303.71,1296 81.27,1297 8.067,1298 89.03,1299 89.03,1300 24,1301 12.712,1302 4.7,1303 3.807,1304 59.747,1305 180,1306 158,1307 0.162,1308 228.508,1309 404.49,1310 549.319,1311 41870,1312 5.5,1313 25.001,1314 0.714,1315 0.535,1316 22.501,1317 18.72,1318 16.741,1319 0.441,1320 0.276,1321 10.27,1322 15.918,1323 10.045,1324 8.352,1325 15.529,1326 10.477,1327 15.764,1328 0.292,1329 0.139,1330 13.806,1331 7.487,1332 12.485,1333 0.184,1334 0.074,1335 11.522,1336 5.018,1337 10.015,1338 0.118,1339 0.039,1340 9.481,1341 3.282,1342 8.32,1343 0.076,1344 0.02,1345 7.794,1346 2.178,1347 0.26,1348 106.369,1349 0.201,1350 32.561,1351 0.426,1352 184,1353 765.405,1354 216.653,1355 659.199,1356 873.13,1357 612,1358 214,1359 626.318,1360 240.113,1361 614.252,1362 915.83,1363 576,1364 5.097}
{0 CHEMBL1243200,1 1.53,2 15.514,3 5.611,4 31.488,5 143.765,6 8.01,7 0.732,8 4.219,9 4.333,10 3.851,11 3.797,12 5.412,13 3.793,14 4.674,15 4.82,16 4.18,17 4.142,18 5.867,19 4.119,20 4.906,21 5.093,22 4.238,23 4.23,24 6.024,25 4.199,26 4.919,27 5.113,28 4.204,29 4.198,30 6.096,31 4.166,32 4.915,33 5.096,34 4.224,35 4.268,36 6.084,37 4.227,38 4.961,39 5.145,40 4.221,41 4.321,42 6.098,43 4.255,44 4.99,45 5.201,46 4.102,47 4.274,48 6.078,49 4.18,50 4.927,51 5.175,52 3.883,53 4.11,54 5.906,55 4,56 0.044,57 0.903,58 10.496,59 4.896,60 8.902,61 5.968,62 0.255,63 1.403,64 18.309,65 7.915,66 25.338,67 9.959,68 0.245,69 1.683,70 26.418,71 10.062,72 36.258,73 12.739,74 0.492,75 1.695,76 27.754,77 9.782,78 52.841,79 12.172,80 0.374,81 1.654,82 26.95,83 10.438,84 52.078,85 12.893,86 0.391,87 1.743,88 27.776,89 11.514,90 48.263,91 14.712,92 0.375,93 1.769,94 30.148,95 12.139,96 54.456,97 16.049,98 0.353,99 1.62,100 31.18,101 11.45,102 50.844,103 15.429,104 6,105 55,106 0.241,107 0.511,108 0.667,109 0.82,110 0.875,111 0.882,112 3.642,113 0.853,114 -4.75,115 -4.66,116 -4.38,118 47.5,123 1,138 16,139 2,140 4,141 2,142 1,143 1,146 1,153 1,167 12,170 2,171 9,173 3,175 7,178 12,182 6,186 7,188 7,191 2,192 11,195 1,196 1,197 6,199 9,204 6,206 1,208 2,211 16,214 2,215 5,218 2,220 5,223 20,227 1,228 5,231 1,233 5,235 14,240 4,245 4,247 7,251 1,252 6,255 2,257 4,260 9,264 2577,265 25.731,266 25.731,267 25.731,268 25.731,269 25.731,270 22.001,271 29.801,272 15.571,273 26.21,274 20.247,275 20.247,276 20.247,277 20.247,278 20.247,279 14.75,280 47.276,281 7.378,282 21.021,283 4.4,284 2.69,285 1.704,286 0.733,287 0.385,288 0.34,289 4.352,294 1,295 1259,296 3.391,300 635.396,307 2.336,308 28.598,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 79,320 574,321 4.402,322 3.603,323 6.518,324 4.01,325 3.048,326 4.069,327 1.058,328 10.27,329 2.984,330 4.358,331 3.227,332 6.466,333 4,334 3.015,335 3.961,336 0.86,337 10.021,338 2.919,339 4.044,340 2.858,341 5.592,342 3.622,343 2.663,344 3.641,345 0.4,346 7.656,347 2.557,348 3.893,349 2.811,350 5.484,351 3.474,352 2.521,353 3.435,354 0.4,355 7.311,356 2.428,357 3.859,358 2.593,359 5.374,360 3.397,361 2.451,362 3.416,364 6.999,365 2.279,366 3.542,367 2.411,368 5.202,369 3.156,370 2.207,371 2.845,373 6.513,374 2.09,375 3.31,376 2.332,377 4.927,378 2.889,379 1.924,380 2.569,382 5.491,383 1.853,384 3.231,385 1.992,386 4.799,387 2.787,388 1.815,389 2.486,391 5.116,392 1.746,393 2.973,394 1.614,395 3.988,396 2.521,397 1.532,398 2.169,400 3.331,401 1.513,402 2.864,403 1.523,404 3.872,405 2.385,406 1.416,407 2.021,409 3.269,410 1.365,411 2.779,412 1.36,413 3.603,414 2.308,415 1.316,416 1.903,417 2.905,418 1.304,419 2.748,420 1.332,421 3.589,422 2.246,423 1.295,424 1.857,425 2.874,426 1.229,427 2.544,428 1.293,429 3.547,430 2.04,431 1.032,432 1.505,433 2.559,434 1.035,435 2.5,436 1,437 3.47,438 2,439 1,440 1.5,441 2.421,442 1,443 2.5,444 1,445 3.414,446 2,447 1,448 1.5,449 2.275,450 1,451 17.567,452 0.475,453 0.653,454 0.018,455 57.75,456 1.561,457 33.5,458 0.905,459 24.25,460 0.655,461 24.588,462 0.665,463 37.033,464 0.607,465 46.645,466 1.261,467 11.794,468 0.319,469 6.397,470 0.173,471 0.047,473 0.285,478 0.867,479 1.207,480 0.731,481 0.958,482 0.686,483 0.841,484 0.757,485 1.089,486 0.852,487 1.038,488 0.648,489 0.973,490 1.25,491 1.183,492 0.939,493 1.031,494 0.998,495 0.953,496 1.432,497 0.931,498 1.053,499 0.905,500 1.255,501 0.916,502 1.375,503 0.946,504 1.007,505 0.908,506 1.66,507 0.909,508 0.964,509 0.981,510 1.032,511 1.058,512 1.165,513 1.065,514 0.842,515 1.074,516 1.079,517 1.149,518 0.963,519 1.151,520 1.069,521 0.953,522 1.06,523 0.993,524 1.029,525 1.021,526 6,527 0.202,528 3.111,529 2.063,530 1.72,531 1.139,532 0.604,533 0.458,534 0.356,535 0.148,536 24243,537 64681,538 2.15,539 39.3,541 19,543 2,544 3,549 1.777,550 2.075,551 3.892,552 0.755,558 93.345,559 1.53,560 3.241,561 4.226,562 5.197,563 5.545,564 5.59,565 3.355,566 4.993,567 5.183,568 4.08,569 2717.26,570 9.098,571 46562,576 361.775,577 1.12,578 5.168,579 0.146,580 0.006,581 0.057,582 0.036,583 0.032,584 0.02,585 0.011,586 0.01,587 0.009,588 0.004,589 0.331,590 0.17,591 0.75,592 0.509,593 207.359,594 -0.072,595 -0.113,596 0.041,597 -0.021,598 -0.098,599 0.02,600 0.179,601 -0.014,602 -0.006,603 -0.1,604 0.072,605 -0.088,606 -0.113,607 -0.163,608 0.014,609 -0.075,610 -0.034,611 -0.02,612 -0.069,613 0.11,614 -0.066,615 0.031,616 -0.001,617 -0.005,618 -0.151,619 0.049,620 -0.053,621 0.064,622 -0.143,623 0.029,624 0.034,626 -0.098,627 -0.07,628 -0.055,629 -0.102,630 0.055,631 -0.119,632 -0.104,633 -0.147,634 0.013,635 -0.148,636 -0.099,637 -0.021,638 -0.008,639 0.018,640 -0.076,641 0.019,642 1.885,643 6.045,644 0.811,645 45.261,646 1.004,647 1.117,648 3.515,649 12.357,650 0.702,651 3.738,652 4.025,653 4.29,654 4.543,655 4.779,656 4.771,657 4.898,658 5.004,659 5.088,660 5.147,661 9.014,662 0.677,663 488.59,664 3.738,665 5.263,666 6.103,667 6.963,668 7.817,669 8.683,670 9.542,671 10.411,672 11.272,673 12.142,674 9.8,679 1,681 1,682 1,684 3,690 18,691 3,695 9,697 30,704 1,709 2,714 1,716 61,718 31,719 3,720 41,722 65,723 29,724 27,725 5,726 13,727 1,728 5,729 5,740 28,741 1,744 1,749 1,753 1,760 24,761 8,762 3,763 8,769 6,775 1,776 2,787 1,788 1,794 5,819 5,823 1,827 37,834 3,835 1,850 3.3,853 1,855 1,858 17.833,859 11.183,860 8.278,861 3.437,863 5.819,864 1.688,865 1.019,866 7.465,867 14.283,868 4.06,869 4.649,870 5.219,871 5.785,872 6.336,873 6.443,874 6.853,875 7.243,876 7.591,877 7.918,878 1,879 57,880 13.593,881 5.706,882 7.707,883 25.723,884 20.5,885 2.207,886 81.667,890 247.193,891 212.171,892 104.389,894 36.145,897 212.171,898 283.338,899 104.389,900 8.396,901 18.011,902 151.62,903 121.759,904 69.747,905 6.714,906 223.651,908 247.193,909 316.56,910 36.145,913 247.193,914 36.145,917 58.772,918 189.42,919 68.367,921 247.193,922 140.534,923 212.171,926 247.193,927 34.06,928 178.111,929 54.032,930 86.501,931 247.193,932 140.534,933 212.171,935 0.568,936 0.334,937 0.186,938 0.104,939 25,940 10,941 0.123,942 8,944 1,945 4.871,946 350.272,948 30,949 181.995,954 24.138,955 11.443,956 5.987,958 140.534,959 33.091,960 13.015,964 5.733,966 54.032,967 599.898,968 57,973 13.045,977 -0.219,980 61.218,981 68.145,983 0.258,984 0.546,985 0.713,986 0.876,987 0.935,988 0.943,989 5.26,990 1.815,991 6.052,992 5.491,993 4.71,994 5.338,995 1.679,996 6.817,997 4.637,998 6.451,999 1.532,1000 7.574,1001 5.116,1002 4.111,1003 4.902,1005 7.609,1006 4,1007 7.734,1008 1.416,1009 9.196,1010 3.331,1011 6.252,1012 7.491,1013 1.549,1014 10.713,1015 6.108,1016 9.052,1017 1.316,1018 10.881,1019 3.269,1020 6.509,1021 7.874,1023 12.374,1024 6.33,1025 10.401,1026 1.295,1027 12.607,1028 2.905,1029 8.064,1030 9.893,1031 1.534,1032 14.968,1033 7.859,1034 11.772,1035 1.032,1036 14.362,1037 2.874,1038 8.737,1039 10.692,1041 16.997,1042 8.504,1043 13.161,1044 1,1045 16.139,1046 2.559,1047 10.033,1048 12.43,1049 1.558,1050 19.415,1051 9.776,1052 3.048,1053 1,1054 17.933,1055 2.421,1056 10.918,1057 13.464,1059 21.606,1060 10.636,1061 3.015,1062 10.27,1063 19.739,1064 2.275,1065 12.097,1066 15.047,1067 1.603,1068 23.959,1069 11.792,1070 2.663,1071 10.021,1072 21.556,1073 4.069,1074 13.089,1075 16.22,1077 26.221,1078 12.761,1079 2.521,1080 7.656,1081 23.382,1082 3.961,1083 14.218,1084 17.714,1085 1.663,1086 28.552,1087 13.868,1088 2.451,1089 7.311,1090 25.214,1091 3.641,1092 15.264,1093 18.972,1095 30.845,1096 14.891,1097 2.207,1098 6.999,1099 27.053,1100 3.435,1101 16.373,1102 20.416,1103 1.734,1104 33.168,1105 15.978,1106 1.924,1107 6.513,1108 28.897,1109 3.416,1110 17.446,1111 21.724,1113 35.475,1114 17.028,1115 22510,1116 36981,1117 28.315,1118 42.796,1119 60.342,1120 61.479,1121 61.217,1122 59.997,1123 60.027,1124 82.58,1125 5.437,1126 165.286,1127 57.901,1128 5.256,1129 5.603,1130 6.32,1131 5.093,1132 5.048,1133 7.069,1134 2.117,1135 17.129,1136 4.984,1137 11.955,1138 1.472,1139 1.499,1140 1.493,1141 1.463,1142 1.464,1143 2.014,1144 0.133,1145 4.031,1146 1.412,1147 4.025,1148 4.056,1149 3.981,1150 3.927,1151 7.429,1152 3.934,1153 3.952,1154 3.985,1155 3.91,1156 3.852,1157 5.073,1158 3.862,1159 3.874,1160 3.909,1161 3.818,1162 3.791,1163 4.92,1164 3.793,1165 3.815,1166 3.844,1167 3.748,1168 3.756,1169 4.826,1170 3.751,1171 3.693,1172 3.75,1173 3.638,1174 3.519,1175 4.722,1176 3.541,1177 3.319,1178 3.408,1179 3.264,1180 3.096,1181 4.659,1182 3.131,1183 3.306,1184 3.35,1185 3.123,1186 3.065,1187 4.224,1188 3.065,1189 3.08,1190 3.157,1191 2.971,1192 2.903,1193 4.175,1194 2.911,1195 0.107,1196 0.088,1197 0.159,1198 0.098,1199 0.074,1200 4.402,1201 0.099,1202 3.603,1203 0.026,1204 6.518,1205 0.25,1206 4.01,1207 0.073,1208 3.048,1209 4.069,1210 1.058,1211 10.27,1212 2.984,1213 1.951,1214 1.925,1215 2.05,1216 2.063,1217 1.131,1218 2.057,1219 1.912,1220 1.886,1221 2.001,1222 2.04,1223 1.069,1224 2.028,1225 1.858,1226 1.827,1227 1.963,1228 1.969,1229 1.025,1230 1.969,1231 1.821,1232 1.794,1233 1.937,1234 1.905,1235 1.01,1236 1.918,1237 1.626,1238 1.572,1239 1.765,1240 1.826,1241 0.738,1242 1.812,1243 1.286,1244 1.185,1245 1.611,1246 1.558,1247 0.624,1248 1.582,1249 1.203,1250 1.174,1251 1.333,1252 1.464,1253 0.336,1254 1.424,1255 1.04,1256 0.974,1257 1.253,1258 1.272,1259 0.292,1260 1.273,1261 4.419,1263 5.714,1265 7.212,1267 8.796,1269 10.422,1271 1.762,1278 9.185,1279 6.053,1289 41.299,1290 93.345,1291 197.697,1292 257.801,1293 317.046,1294 338.265,1295 341.02,1296 55.332,1297 8.464,1298 101.06,1299 101.06,1300 30,1301 12.687,1302 5,1303 4.087,1304 57.034,1305 207,1306 181,1307 0.134,1308 253.901,1309 435.3,1310 611.279,1311 74665,1313 25.451,1314 0.688,1315 0.542,1316 25.451,1317 20.05,1318 18.191,1319 0.444,1320 0.284,1321 11.512,1322 17.597,1323 11.265,1324 9.414,1325 18.191,1326 11.66,1327 15.693,1328 0.285,1329 0.145,1330 15.693,1331 7.989,1332 13.341,1333 0.185,1334 0.076,1335 13.341,1336 5.477,1337 11.203,1338 0.12,1339 0.04,1340 11.203,1341 3.68,1342 9.335,1343 0.079,1344 0.021,1345 9.335,1346 2.485,1347 0.217,1348 113.231,1349 0.188,1350 34.31,1351 0.347,1352 192,1353 559.405,1354 209.689,1355 550.548,1356 768.33,1357 518,1358 223,1359 582.571,1360 240.47,1361 590.874,1362 860.3,1363 558,1364 6}
{0 CHEMBL1243326,1 1.587,2 16.154,3 6.809,4 46.357,5 149.961,6 8.452,7 0.795,8 4.24,9 4.349,10 3.922,11 3.833,12 5.465,13 3.838,14 4.7,15 4.839,16 4.275,17 4.194,18 5.921,19 4.187,20 4.931,21 5.109,22 4.357,23 4.296,24 6.101,25 4.282,26 4.941,27 5.128,28 4.304,29 4.269,30 6.103,31 4.251,32 4.938,33 5.121,34 4.316,35 4.329,36 6.063,37 4.295,38 4.988,39 5.178,40 4.279,41 4.355,42 6.124,43 4.294,44 4.977,45 5.191,46 4.143,47 4.278,48 6.063,49 4.191,50 4.893,51 5.132,52 3.964,53 4.094,54 5.936,55 4.008,56 0.089,57 0.995,58 9.193,59 4.838,60 9.738,61 5.525,62 0.27,63 1.56,64 16.537,65 7.864,66 23.205,67 9.247,68 0.363,69 1.909,70 24.848,71 10.19,72 43.175,73 11.997,74 0.522,75 1.908,76 25.657,77 9.487,78 52.176,79 10.869,80 0.389,81 1.865,82 24.523,83 9.817,84 37.489,85 11.93,86 0.52,87 1.962,88 26.401,89 11.028,90 48.115,91 13.739,92 0.42,93 1.899,94 28.317,95 11.999,96 46.378,97 15.566,98 0.446,99 1.703,100 29.183,101 11.202,102 50.111,103 14.425,104 6,105 61,106 0.249,107 0.545,108 0.718,109 0.848,110 0.871,111 0.876,112 3.693,113 0.832,114 -6.19,115 -6.03,116 -5.6,118 49.2,123 1,138 15,139 4,140 3,141 2,142 2,143 2,146 1,161 1,167 14,170 2,171 11,173 3,175 3,178 15,182 12,184 1,186 4,188 12,191 2,192 17,197 4,199 13,204 11,206 1,208 3,211 19,214 2,215 5,218 2,220 3,223 20,227 1,228 3,231 1,233 3,235 14,239 1,240 4,245 3,247 8,251 1,252 6,255 1,257 4,260 9,264 2961,265 27.179,266 27.179,267 27.179,268 27.179,269 27.179,270 23.05,271 23.909,272 16.136,273 27.755,274 21.711,275 21.711,276 21.711,277 21.711,278 21.711,279 15.607,280 36.302,281 7.621,282 22.674,283 4.344,284 2.452,285 1.346,286 0.517,287 0.373,288 0.34,289 4.414,295 1404,296 3,300 710.441,304 181.313,307 2.363,308 32.587,311 0.5,312 0.5,313 0.83,314 0.3,316 0.83,317 1,318 0.57,319 84,320 630,321 4.637,322 3.24,323 6.806,324 4.186,325 3.202,326 4.582,327 0.86,328 11.249,329 3.149,330 4.402,331 3.221,332 6.518,333 4.004,334 3.047,335 4.069,336 0.4,337 10.27,338 2.92,339 4.106,340 2.924,341 6.092,342 3.704,343 2.735,344 3.712,345 0.4,346 8.827,347 2.652,348 4.018,349 2.833,350 5.583,351 3.575,352 2.616,353 3.629,355 7.609,356 2.519,357 3.877,358 2.701,359 5.45,360 3.408,361 2.481,362 3.429,364 7.17,365 2.282,366 3.68,367 2.54,368 5.277,369 3.246,370 2.305,371 3.117,373 6.635,374 2.159,375 3.505,376 2.365,377 5.106,378 3.104,379 2.159,380 2.856,382 6.157,383 2.027,384 3.335,385 2.043,386 4.95,387 2.885,388 1.935,389 2.655,391 5.583,392 1.833,393 3.246,394 1.921,395 4.862,396 2.789,397 1.833,398 2.531,400 5.319,401 1.744,402 3.018,403 1.614,404 4.378,405 2.522,406 1.545,407 2.256,409 4.098,410 1.503,411 2.864,412 1.519,413 3.984,414 2.385,415 1.416,416 2.022,417 3.299,418 1.365,419 2.77,420 1.332,421 3.681,422 2.259,423 1.295,424 1.903,425 2.874,426 1.253,427 2.747,428 1.279,429 3.601,430 2.246,431 1.273,432 1.857,433 2.851,434 1.228,435 2.5,436 1.014,437 3.595,438 2,439 1,440 1.5,441 2.438,442 1,443 2.5,444 1,445 3.47,446 2,447 1,448 1.5,449 2.421,450 1,451 18.419,452 0.472,453 0.756,454 0.019,455 61.25,456 1.571,457 35.5,458 0.91,459 25.75,460 0.66,461 26.826,462 0.688,463 38.581,464 0.632,465 50.005,466 1.282,467 12.407,468 0.318,469 6.767,470 0.174,471 0.043,473 0.326,477 1,478 0.722,479 1.04,480 0.662,481 0.925,482 0.618,483 0.81,484 0.741,485 0.982,486 0.779,487 0.981,488 0.631,489 0.909,490 1.161,491 1.111,492 0.901,493 0.986,494 0.977,495 0.913,496 1.298,497 0.982,498 1.08,499 0.895,500 0.998,501 0.924,502 0.887,503 0.924,504 0.974,505 0.925,506 0.598,507 0.945,508 0.736,509 0.842,510 1.061,511 1.028,512 0.639,513 1.089,514 0.676,515 0.953,516 1.031,517 1.154,518 0.683,519 1.167,520 1.012,521 0.973,522 1.028,523 1.025,524 0.962,525 1.035,526 6.5,527 0.215,528 4,529 2.25,530 1.996,531 1.187,532 0.802,533 0.585,534 0.385,535 0.181,536 28278,537 80581,538 2.187,539 36.1,541 18,543 2,544 2,549 1.79,550 2.108,551 3.933,552 0.136,558 96.809,559 1.587,560 3.478,561 4.585,562 5.414,563 5.558,564 5.59,565 3.392,566 5.01,567 5.258,568 4.117,569 3050.97,570 9.247,571 53538.8,576 361.775,577 1.154,578 5.243,579 0.148,580 0.006,581 0.066,582 0.035,583 0.033,584 0.019,585 0.014,586 0.012,587 0.009,588 0.005,589 0.345,590 0.17,591 0.63,592 0.491,593 221.31,594 -0.017,595 -0.058,596 0.047,597 -0.019,598 -0.065,599 0.017,600 0.094,601 0.001,602 0.019,603 -0.063,604 0.046,605 -0.046,606 -0.106,607 -0.115,608 0.025,609 -0.033,610 -0.038,611 0.011,612 -0.194,613 0.009,614 -0.143,615 0.023,616 -0.137,617 -0.03,618 -0.107,619 -0.02,620 -0.084,621 0.003,622 -0.053,623 -0.023,624 0.056,625 0.064,626 -0.145,627 -0.068,628 0.004,629 -0.131,630 0.096,631 -0.07,632 -0.046,633 -0.139,634 0.06,635 -0.128,636 -0.019,637 -0.069,638 0.056,639 0.012,641 0.04,642 1.96,643 5.433,644 0.872,645 49.357,646 1.01,647 1.121,648 4.955,649 24.554,650 0.713,651 3.807,652 4.127,653 4.431,654 4.718,655 5.011,656 5.069,657 5.236,658 5.384,659 5.509,660 5.58,661 9.192,662 0.696,663 515.59,664 3.807,665 5.352,666 6.213,667 7.093,668 7.969,669 8.855,670 9.738,671 10.627,672 11.513,673 12.403,674 11.5,679 1,682 1,684 5,689 2,690 17,691 5,695 10,697 35,709 2,714 1,715 1,716 61,718 35,719 3,720 44,722 66,723 30,724 29,725 6,726 12,728 6,729 7,740 29,741 1,758 1,760 22,761 9,762 2,763 9,769 7,775 0.833,776 1,786 1,787 1,788 1,794 6,798 1,819 5,823 1,825 1,827 39,834 2,835 1,849 1,850 1.6,855 1,858 18.5,859 11.476,860 8.583,861 3.516,863 6.511,864 1.721,865 1.044,866 6.776,867 15.54,868 4.135,869 4.783,870 5.424,871 6.056,872 6.685,873 6.964,874 7.45,875 7.923,876 8.36,877 8.68,878 0.909,879 65,880 14.316,881 6.124,882 7.744,883 27.063,884 22.025,885 2.244,886 87.5,890 235.422,891 211.828,892 119.704,894 11,895 14.96,897 211.828,898 246.422,899 134.664,900 8.396,902 142.144,903 125.236,904 81.257,905 24.002,906 211.88,908 235.422,909 331.532,910 25.96,913 250.382,914 11,917 43.518,918 186.321,919 101.693,921 250.382,922 130.704,923 211.828,926 235.422,927 43.193,928 168.635,929 36.022,930 109.643,931 235.422,932 145.664,933 211.828,935 0.576,936 0.342,937 0.192,938 0.112,939 30,940 12,941 0.106,942 7,943 1,944 1.059,945 4.998,946 393.031,947 0.059,948 34,949 198.131,954 24.417,955 10.823,956 5.241,957 1.812,958 145.664,959 30.49,960 21.959,964 5.637,966 36.022,967 592.914,968 61.5,980 61.621,981 68.359,983 0.268,984 0.586,985 0.773,986 0.913,987 0.937,988 0.943,989 5.351,990 1.935,991 6.18,992 6.157,993 4.812,994 5.472,995 1.138,996 6.986,997 4.73,998 6.565,999 1.833,1000 7.728,1001 5.583,1002 4.29,1003 5.173,1005 7.867,1006 4.155,1007 7.871,1008 1.545,1009 9.376,1010 5.319,1011 6.395,1012 7.719,1013 0.787,1014 10.988,1015 6.241,1016 9.214,1017 1.416,1018 11.087,1019 4.098,1020 6.723,1021 8.271,1023 12.738,1024 6.528,1025 10.588,1026 1.295,1027 12.839,1028 3.299,1029 8.256,1030 10.245,1031 0.602,1032 15.371,1033 8.045,1034 11.987,1035 1.273,1036 14.621,1037 2.874,1038 8.992,1039 11.233,1041 17.486,1042 8.752,1043 13.404,1044 1,1045 16.425,1046 2.851,1047 10.284,1048 12.944,1049 0.471,1050 19.957,1051 10.027,1052 3.202,1053 1,1054 18.245,1055 2.438,1056 11.224,1057 14.171,1059 22.23,1060 10.945,1061 3.047,1062 11.249,1063 20.079,1064 2.421,1065 12.415,1066 15.759,1067 0.367,1068 24.648,1069 12.119,1070 2.735,1071 10.27,1072 21.925,1073 4.582,1074 13.456,1075 17.116,1077 26.99,1078 13.141,1079 2.616,1080 8.827,1081 23.779,1082 4.069,1083 14.607,1084 18.649,1085 0.283,1086 29.392,1087 14.276,1088 2.481,1089 7.609,1090 25.641,1091 3.712,1092 15.698,1093 20.076,1095 31.765,1096 15.349,1097 2.305,1098 7.17,1099 27.509,1100 3.629,1101 16.838,1102 21.588,1103 0.217,1104 34.165,1105 16.472,1106 2.159,1107 6.635,1108 29.383,1109 3.429,1110 17.954,1111 23.053,1113 36.553,1114 17.572,1115 25855,1116 43856,1117 30.512,1118 43.523,1119 65.661,1120 66.258,1121 66.979,1122 65.489,1123 65.435,1124 91.15,1125 3.32,1126 186.418,1127 62.687,1128 5.441,1129 5.24,1130 6.488,1131 5.27,1132 5.202,1133 7.582,1134 1.72,1135 18.673,1136 5.149,1137 12.972,1138 1.492,1139 1.506,1140 1.522,1141 1.488,1142 1.487,1143 2.072,1144 0.075,1145 4.237,1146 1.425,1147 4.111,1148 4.14,1149 4.081,1150 4.039,1151 8.201,1152 4.044,1153 3.976,1154 4.009,1155 3.943,1156 3.867,1157 5.109,1158 3.88,1159 3.874,1160 3.906,1161 3.822,1162 3.793,1163 5.052,1164 3.795,1165 3.83,1166 3.858,1167 3.776,1168 3.761,1169 4.917,1170 3.76,1171 3.693,1172 3.75,1173 3.637,1174 3.519,1175 4.719,1176 3.541,1177 3.379,1178 3.442,1179 3.316,1180 3.201,1181 4.597,1182 3.22,1183 3.306,1184 3.407,1185 3.123,1186 3.065,1187 4.528,1188 3.065,1189 3.151,1190 3.194,1191 3.106,1192 3.011,1193 4.228,1194 3.025,1195 0.105,1196 0.074,1197 0.155,1198 0.095,1199 0.073,1200 4.637,1201 0.104,1202 3.24,1203 0.02,1204 6.806,1205 0.256,1206 4.186,1207 0.072,1208 3.202,1209 4.582,1210 0.86,1211 11.249,1212 3.149,1213 2.058,1214 2.037,1215 2.122,1216 2.146,1217 1.257,1218 2.139,1219 1.914,1220 1.89,1221 1.998,1222 2.048,1223 1.071,1224 2.031,1225 1.855,1226 1.825,1227 1.952,1228 1.963,1229 1.024,1230 1.962,1231 1.822,1232 1.796,1233 1.931,1234 1.912,1235 1.008,1236 1.919,1237 1.626,1238 1.572,1239 1.765,1240 1.825,1241 0.738,1242 1.812,1243 1.307,1244 1.254,1245 1.611,1246 1.558,1247 0.624,1248 1.582,1249 1.286,1250 1.185,1251 1.429,1252 1.522,1253 0.457,1254 1.5,1255 1.094,1256 1.057,1257 1.241,1258 1.276,1259 0.337,1260 1.259,1261 4.489,1263 5.808,1265 7.336,1267 8.956,1269 10.624,1271 1.768,1273 13.433,1278 6.29,1279 6.112,1289 42.462,1290 96.809,1291 212.175,1292 279.662,1293 330.265,1294 339.02,1295 341.02,1296 56.517,1297 9.029,1298 97.74,1299 97.74,1300 36,1301 12.933,1302 5.17,1303 4.209,1304 55.472,1305 221,1306 208,1307 0.122,1308 257.169,1309 434.98,1310 619.252,1311 138548,1312 1.6,1313 26.606,1314 0.682,1315 0.534,1316 25.736,1317 20.837,1318 19.174,1319 0.436,1320 0.277,1321 12.032,1322 18.466,1323 11.795,1324 9.804,1325 18.78,1326 12.203,1327 16.901,1328 0.277,1329 0.141,1330 16.279,1331 8.573,1332 14.78,1333 0.178,1334 0.073,1335 14.369,1336 6.063,1337 12.533,1338 0.113,1339 0.038,1340 12.381,1341 4.168,1342 10.993,1343 0.074,1344 0.02,1345 10.763,1346 2.92,1347 0.197,1348 119.918,1349 0.181,1350 35.647,1351 0.317,1352 210,1353 660.738,1354 230.749,1355 624.97,1356 872.32,1357 588,1358 249,1359 667.477,1360 269.662,1361 669.864,1362 980.41,1363 633,1364 4.602}
{0 CHEMBL124660,1 1.513,2 18.659,3 4.674,4 21.849,5 160.828,6 6.781,7 0.378,8 4.504,9 4.634,10 3.996,11 3.959,12 5.494,13 3.939,14 5.097,15 5.3,16 4.334,17 4.349,18 6.041,19 4.305,20 5.358,21 5.586,22 4.406,23 4.521,24 6.247,25 4.445,26 5.406,27 5.651,28 4.362,29 4.536,30 6.305,31 4.436,32 5.403,33 5.647,34 4.34,35 4.538,36 6.32,37 4.425,38 5.395,39 5.648,40 4.265,41 4.494,42 6.233,43 4.371,44 5.334,45 5.596,46 4.214,47 4.386,48 6.216,49 4.276,50 5.196,51 5.433,52 4.174,53 4.308,54 6.094,55 4.223,56 0.024,57 1.222,58 19.498,59 7.398,60 11.437,61 10.634,62 0.525,63 1.928,64 37.858,65 11.851,66 41.638,67 17.627,68 0.686,69 2.317,70 49.892,71 15.383,72 52.388,73 23.063,74 0.658,75 2.371,76 52.334,77 16.533,78 64.144,79 24.92,80 0.805,81 2.338,82 52.247,83 17.276,84 75.439,85 25.516,86 0.566,87 2.283,88 51.688,89 16.851,90 57.591,91 25.38,92 0.884,93 2.115,94 49.652,95 14.519,96 73.048,97 22.414,98 0.548,99 1.914,100 42.617,101 12.756,102 48.867,103 19.345,104 22,105 61,106 0.229,107 0.508,108 0.715,109 0.799,110 0.824,111 0.824,112 3.741,113 0.984,114 -4.15,115 -4.09,116 -3.87,118 37.3,119 2,120 4,123 1,124 8,126 1,138 6,139 1,140 4,142 1,143 1,144 1,154 1,167 5,170 3,171 14,173 2,175 2,178 5,181 2,182 9,186 2,188 3,191 3,192 7,199 7,203 5,204 6,206 2,211 6,214 2,215 5,223 1,227 5,228 6,231 1,233 3,239 2,240 6,245 1,247 2,251 2,252 9,255 1,257 1,260 5,264 4089,265 28.093,266 28.093,267 28.093,268 28.093,269 28.093,270 26.004,271 40.814,272 16.851,273 29.056,274 22.201,275 22.201,276 22.201,277 22.201,278 22.201,279 18.876,280 55.107,281 7.968,282 23.635,283 4.862,284 3.028,285 1.661,286 1.106,287 0.943,288 0.943,289 4.448,294 1,295 1652,296 4.243,300 695.423,304 211.342,307 3.243,308 34.55,311 0.75,312 0.5,313 0.67,314 0.9,315 1,316 0.83,317 1,318 0.81,319 89,320 765,321 4.597,322 3.691,323 6.725,324 4.143,325 3.185,326 4.523,327 1.701,328 10.984,329 3.055,330 4.109,331 3.34,332 6.149,333 3.813,334 2.87,335 3.657,336 0.86,337 9.064,338 2.704,339 4.049,340 3.106,341 6.048,342 3.678,343 2.742,344 3.525,345 0.86,346 8.686,347 2.559,348 3.9,349 3.011,350 5.661,351 3.565,352 2.625,353 3.129,354 0.86,355 7.513,356 2.462,357 3.607,358 2.831,359 5.519,360 3.449,361 2.521,362 2.934,363 0.8,364 7.362,365 2.34,366 3.521,367 2.595,368 5.34,369 3.274,370 2.342,371 2.714,372 0.8,373 6.965,374 2.172,375 3.477,376 2.499,377 5.196,378 3.164,379 2.227,380 2.522,381 0.563,382 6.538,383 2.072,384 3.141,385 2.307,386 4.801,387 2.813,388 1.861,389 2.334,390 0.075,391 5.225,392 1.765,393 2.983,394 2.195,395 4.415,396 2.75,397 1.812,398 2.051,400 4.53,401 1.695,402 2.903,403 2.029,404 4.351,405 2.604,406 1.629,407 1.997,409 4.046,410 1.585,411 2.731,412 1.7,413 4.024,414 2.446,415 1.497,416 1.753,417 3.39,418 1.41,419 2.589,420 1.559,421 3.882,422 2.307,423 1.387,424 1.584,425 3.134,426 1.271,427 2.5,428 1.464,429 3.7,430 2.196,431 1.237,432 1.5,433 3.119,434 1.174,435 2.401,436 1.376,437 3.447,438 2.002,439 1.073,440 1.366,441 2.578,442 1,443 2.252,444 1.146,445 3.414,446 2,447 1,448 1.214,449 2.275,450 0.988,451 19.233,452 0.469,453 0.848,454 0.021,455 48,456 1.171,457 20,458 0.488,459 28,460 0.683,461 42.849,462 1.045,463 46.767,464 0.563,465 39.363,466 0.96,467 9.074,468 0.221,469 10.921,470 0.266,471 0.095,473 0.296,478 0.859,479 1.654,480 0.862,481 1.349,482 0.646,483 1.137,484 1.143,485 1.073,486 0.965,487 0.977,488 0.664,489 0.94,490 1.237,491 1.063,492 1.021,493 0.975,494 0.934,495 0.963,496 1.054,497 1.046,498 1.003,499 1.02,500 1.244,501 1.003,502 0.931,503 0.993,504 1.003,505 1.042,506 1.335,507 1.041,508 0.939,509 1.151,510 0.99,511 1.117,512 0.935,513 1.075,514 1.054,515 0.941,516 0.995,517 0.917,518 0.839,519 0.94,520 1.264,521 1.094,522 1.064,523 1.036,524 1.092,525 1.018,526 7.5,527 0.264,528 4,529 2.125,530 2.293,531 1.25,532 0.926,533 0.63,534 0.448,535 0.345,536 33017,537 72394,538 2.105,539 50.6,540 2,541 26,543 1,544 1,546 10,547 2,549 1.801,550 2,551 4.128,552 -0.376,558 125.561,559 1.513,560 3.347,561 4.714,562 5.269,563 5.432,564 5.432,565 3.647,566 4.87,567 5.318,568 4.34,569 3558.6,570 9.376,571 67410.3,576 529.128,577 1.282,578 5.302,579 0.167,580 0.006,581 0.066,582 0.033,583 0.038,584 0.022,585 0.017,586 0.013,587 0.009,588 0.007,589 0.377,590 0.33,591 0.63,592 0.801,593 239.147,594 -0.005,595 -0.347,596 0.084,597 -0.165,598 0.016,599 -0.047,601 0.083,602 0.041,603 0.044,604 0.121,605 0.049,606 -0.077,607 -0.008,608 -0.013,609 0.026,610 -0.003,611 0.019,612 -0.031,613 -0.02,614 -0.011,615 -0.023,616 -0.028,617 -0.015,618 0.082,619 0.019,620 -0.017,621 -0.03,622 -0.033,623 -0.042,624 0.006,625 -0.165,626 -0.012,627 -0.109,628 -0.047,629 -0.072,630 0.064,631 0.046,632 0.017,633 0.029,634 0.065,635 0.017,636 -0.094,637 -0.057,638 -0.052,639 -0.058,640 -0.065,641 -0.048,642 1.779,643 5.911,644 0.683,645 71.748,646 0.998,647 1.136,648 2.92,649 8.526,650 0.633,651 3.829,652 4.127,653 4.382,654 4.635,655 4.89,656 4.956,657 5.13,658 5.252,659 5.375,660 5.464,661 10.427,662 0.596,663 562.79,664 3.829,665 5.361,666 6.201,667 7.066,668 7.923,669 8.794,670 9.661,671 10.537,672 11.41,673 12.29,674 7.2,677 1,680 1,681 2,684 2,689 2,690 7,691 2,695 5,697 17,711 1,714 3,716 83,718 18,719 2,720 45,722 87,723 31,724 14,725 6,726 6,728 5,729 6,731 1,732 2,735 3,738 5,740 15,741 16,744 1,749 1,753 1,760 42,761 10,762 1,763 10,769 6,775 0.8,776 4,788 1,794 5,798 1,816 1,819 4,823 3,827 41,833 12,834 1,835 3,837 1,838 3,850 4.8,853 1,855 3,858 20.5,859 15.583,860 9.139,861 5.374,863 3.332,864 1.377,865 0.964,866 10.415,867 12.159,868 4.016,869 4.543,870 5.077,871 5.637,872 6.214,873 6.493,874 6.88,875 7.216,876 7.519,877 7.579,878 0.923,879 64,880 15.239,881 6.347,882 7.565,883 29.822,884 24.38,885 2.065,886 84.667,890 482.615,891 153.288,892 60.955,894 58.145,897 153.288,898 540.76,899 60.955,900 28.533,901 50.606,902 56.857,903 70.487,904 71.071,905 6.604,906 470.844,908 482.615,909 214.243,910 58.145,913 341.362,914 199.398,917 82.143,918 98.529,919 33.571,921 482.615,922 119.099,923 153.288,926 482.615,927 59.278,928 103.382,929 18.011,930 91.716,931 482.615,932 119.099,933 153.288,935 0.571,936 0.328,937 0.18,938 0.1,939 27,940 12,941 0.115,942 10,943 1,944 1.071,945 5.231,946 395.481,947 0.071,948 28,949 205.66,954 29.679,955 14.388,956 7.936,957 1.721,958 119.099,959 12.966,960 9.132,964 3.743,966 18.011,967 755.002,968 54.5,973 12.911,977 -0.113,980 82.825,981 94.301,983 0.237,984 0.525,985 0.74,986 0.827,987 0.852,988 0.852,989 5.259,990 1.861,991 6.163,992 6.538,993 4.812,994 5.231,995 2.549,996 6.938,997 4.694,998 6.417,999 1.812,1000 7.696,1001 5.225,1002 4.29,1003 4.977,1004 1.494,1005 7.766,1006 4.108,1007 7.699,1008 1.629,1009 9.328,1010 4.53,1011 6.368,1012 7.35,1013 2.805,1014 10.856,1015 6.134,1016 9.014,1017 1.497,1018 11.02,1019 4.046,1020 6.673,1021 7.967,1022 2.523,1023 12.537,1024 6.376,1025 10.367,1026 1.387,1027 12.752,1028 3.39,1029 8.193,1030 9.83,1031 3.483,1032 15.139,1033 7.854,1034 11.744,1035 1.237,1036 14.513,1037 3.134,1038 8.899,1039 10.877,1040 3.619,1041 17.193,1042 8.503,1043 13.142,1044 1.073,1045 16.294,1046 3.119,1047 10.179,1048 12.529,1049 4.385,1050 19.632,1051 9.745,1052 3.185,1053 1,1054 18.092,1055 2.578,1056 11.09,1057 13.8,1058 4.719,1059 21.859,1060 10.606,1061 2.87,1062 10.984,1063 19.903,1064 2.275,1065 12.267,1066 15.361,1067 5.379,1068 24.249,1069 11.748,1070 2.742,1071 9.064,1072 21.724,1073 4.523,1074 13.283,1075 16.747,1076 5.808,1077 26.558,1078 12.72,1079 2.625,1080 8.686,1081 23.555,1082 3.657,1083 14.421,1084 18.27,1085 6.411,1086 28.936,1087 13.822,1088 2.521,1089 7.513,1090 25.394,1091 3.525,1092 15.492,1093 19.716,1094 6.887,1095 31.285,1096 14.852,1097 2.342,1098 7.362,1099 27.239,1100 3.129,1101 16.618,1102 21.225,1103 7.458,1104 33.664,1105 15.943,1106 2.227,1107 6.965,1108 29.091,1109 2.934,1110 17.719,1111 22.701,1112 7.96,1113 36.034,1114 17.005,1115 31085,1116 46350,1117 30.512,1118 52.557,1119 66.4,1120 67.816,1121 67.682,1122 66.189,1123 66.184,1124 80.073,1125 13.04,1126 184.219,1127 62.35,1128 5.597,1129 5.691,1130 6.527,1131 5.225,1132 5.185,1133 7.523,1134 2.972,1135 18.176,1136 5.055,1137 18.625,1138 1.476,1139 1.507,1140 1.504,1141 1.471,1142 1.471,1143 1.779,1144 0.29,1145 4.094,1146 1.386,1147 4.087,1148 4.12,1149 4.057,1150 3.977,1151 7.429,1152 3.992,1153 3.933,1154 3.964,1155 3.876,1156 3.834,1157 5.092,1158 3.838,1159 3.859,1160 3.928,1161 3.725,1162 3.701,1163 4.861,1164 3.696,1165 3.786,1166 3.843,1167 3.695,1168 3.589,1169 4.754,1170 3.606,1171 3.59,1172 3.651,1173 3.478,1174 3.414,1175 4.473,1176 3.406,1177 3.571,1178 3.63,1179 3.419,1180 3.398,1181 4.427,1182 3.393,1183 3.439,1184 3.488,1185 3.317,1186 3.221,1187 4.333,1188 3.25,1189 3.299,1190 3.351,1191 3.216,1192 3.02,1193 4.286,1194 3.065,1195 0.102,1196 0.082,1197 0.149,1198 0.092,1199 0.071,1200 4.597,1201 0.101,1202 3.691,1203 0.038,1204 6.725,1205 0.244,1206 4.143,1207 0.068,1208 3.185,1209 4.523,1210 1.701,1211 10.984,1212 3.055,1213 2.006,1214 1.984,1215 2.072,1216 2.138,1217 1.418,1218 2.118,1219 1.888,1220 1.863,1221 2.058,1222 2.029,1223 1.299,1224 2.043,1225 1.836,1226 1.77,1227 1.999,1228 2.017,1229 1.175,1230 2.011,1231 1.731,1232 1.667,1233 1.921,1234 1.94,1235 1.125,1236 1.938,1237 1.581,1238 1.517,1239 1.863,1240 1.787,1241 1.094,1242 1.813,1243 1.558,1244 1.496,1245 1.828,1246 1.762,1247 1.013,1248 1.785,1249 1.345,1250 1.3,1251 1.59,1252 1.616,1253 0.825,1254 1.6,1255 1.175,1256 1.12,1257 1.513,1258 1.484,1259 0.825,1260 1.456,1261 4.511,1263 5.814,1265 7.314,1267 8.905,1269 10.546,1271 5.633,1277 11.506,1278 2.991,1279 17.52,1281 0.106,1282 6.549,1289 49.47,1290 125.561,1291 277.832,1292 391.296,1293 437.354,1294 450.864,1295 450.864,1296 74.498,1297 8.828,1298 92.29,1299 92.29,1300 30,1301 12.828,1302 4.248,1303 3.392,1304 66.785,1305 251,1306 273,1307 0.125,1308 301.57,1309 527.76,1310 727.591,1311 110217,1313 28.606,1314 0.698,1315 0.597,1316 28.606,1317 24.473,1318 19.996,1319 0.444,1320 0.328,1321 14.497,1322 19.002,1323 14.139,1324 11.709,1325 19.996,1326 14.754,1327 17.611,1328 0.289,1329 0.179,1330 17.611,1331 10.917,1332 14.504,1333 0.184,1334 0.096,1335 14.504,1336 7.568,1337 12.161,1338 0.119,1339 0.053,1340 12.161,1341 5.441,1342 10.068,1343 0.076,1344 0.029,1345 10.068,1346 3.85,1347 0.205,1348 126.469,1349 0.181,1350 37.724,1351 0.32,1352 212,1353 603.501,1354 237.526,1355 565.996,1356 780.93,1357 536,1358 246,1359 578.93,1360 272.114,1361 578.441,1362 848.02,1363 544,1364 5}
{0 CHEMBL1269858,1 1.568,2 12.167,3 3.761,4 14.146,5 141.872,6 7.373,7 0.537,8 4.317,9 4.447,10 3.893,11 3.783,12 5.353,13 3.786,14 4.882,15 5.07,16 4.24,17 4.182,18 5.866,19 4.168,20 5.092,21 5.309,22 4.269,23 4.353,24 5.996,25 4.293,26 5.135,27 5.363,28 4.254,29 4.415,30 6.024,31 4.315,32 5.222,33 5.475,34 4.27,35 4.417,36 6.087,37 4.322,38 5.206,39 5.454,40 4.279,41 4.36,42 6.117,43 4.288,44 5.16,45 5.405,46 4.245,47 4.328,48 6.046,49 4.25,50 5.205,51 5.466,52 4.171,53 4.312,54 6.064,55 4.215,56 0.06,57 1.068,58 14.186,59 5.374,60 10.036,61 7.51,62 0.452,63 1.687,64 28.31,65 8.64,66 31.967,67 12.328,68 0.562,69 1.997,70 35.87,71 11.069,72 36.404,73 16.464,74 0.381,75 2.105,76 36.626,77 13.682,78 34.758,79 19.956,80 0.348,81 2.172,82 41.766,83 13.719,84 42.81,85 21.012,86 0.65,87 2.155,88 41.61,89 11.935,90 50.458,91 18.304,92 0.589,93 2.05,94 39.351,95 11.543,96 41.714,97 18.098,98 0.626,99 2.032,100 42.434,101 12.856,102 49.386,103 19.379,104 2,105 57,106 0.247,107 0.563,108 0.71,109 0.756,110 0.763,111 0.763,112 3.616,113 0.901,114 -3.5,115 -3.48,116 -3.32,118 39.4,123 1,124 8,138 7,139 1,140 4,141 2,143 1,146 1,148 1,163 1,167 2,170 2,171 10,173 2,175 4,178 6,181 2,182 2,186 1,188 1,191 3,192 11,195 4,197 3,199 2,204 5,211 1,214 5,215 8,218 1,220 3,223 3,227 2,228 3,231 2,233 1,239 3,240 4,243 2,244 1,245 1,247 5,251 4,260 2,264 2404,265 25.154,266 25.154,267 25.154,268 25.154,269 25.154,270 22.675,271 40.075,272 15.081,273 26.045,274 20.325,275 20.325,276 20.325,277 20.325,278 20.325,279 16.491,280 73.044,281 7.22,282 21.725,283 4.476,284 2.468,285 1.533,286 1.235,287 1.193,288 1.193,289 4.338,294 1,295 987,296 3,299 82.149,300 564.135,303 152.692,307 1.778,308 23.272,311 1,312 0.5,313 1,314 0.8,315 0.5,316 1,317 1,318 0.83,319 78,320 438,321 4.563,322 3.325,323 6.75,324 4.13,325 3.169,326 4.478,327 0.86,328 10.975,329 3.054,330 4.323,331 3.241,332 6.311,333 3.979,334 3.026,335 3.928,336 0.86,337 9.702,338 2.887,339 4.133,340 3.013,341 6.074,342 3.702,343 2.765,344 3.715,345 0.8,346 8.738,347 2.583,348 3.795,349 2.87,350 6.016,351 3.608,352 2.684,353 3.056,354 0.8,355 8.629,356 2.478,357 3.723,358 2.682,359 5.553,360 3.398,361 2.469,362 2.972,363 0.8,364 7.507,365 2.291,366 3.477,367 2.394,368 5.218,369 3.105,370 2.164,371 2.757,372 0.4,373 6.366,374 2.032,375 3.205,376 2.25,377 4.93,378 2.81,379 1.865,380 2.447,382 5.495,383 1.756,384 3.048,385 2.151,386 4.468,387 2.633,388 1.697,389 2.321,391 4.505,392 1.582,393 2.947,394 1.866,395 4.283,396 2.604,397 1.697,398 2.01,400 4.065,401 1.535,402 2.838,403 1.548,404 4.206,405 2.535,406 1.548,407 1.879,409 3.7,410 1.528,411 2.689,412 1.53,413 3.745,414 2.193,415 1.246,416 1.772,417 2.838,418 1.178,419 2.5,420 1.288,421 3.511,422 2.021,423 1.137,424 1.5,425 2.694,426 0.995,427 2.277,428 1.283,429 3.472,430 1.97,431 1,432 1.225,433 2.509,434 0.968,435 2.238,436 1.256,437 3.469,438 1.952,439 1,440 1.205,441 2.304,442 0.946,443 2.166,444 1.256,445 3.394,446 1.952,447 1,448 1.132,449 2.218,450 0.946,451 16.867,452 0.469,453 0.688,454 0.019,455 47.75,456 1.326,457 22,458 0.611,459 25.75,460 0.715,461 31.691,462 0.88,463 38.933,464 0.59,465 37.932,466 1.054,467 9.523,468 0.265,469 8.219,470 0.228,471 0.03,473 0.308,478 0.927,479 1.549,480 0.776,481 1.215,482 0.809,483 1.006,484 1.457,485 1.078,486 0.976,487 0.875,488 1.093,489 0.858,490 1.208,491 1.059,492 1.066,493 0.916,494 1.038,495 0.958,496 0.485,497 1.094,498 0.963,499 1.189,500 0.675,501 1.157,502 0.719,503 1.15,504 0.884,505 1.051,506 0.796,507 0.994,508 1.1,509 0.979,510 1.054,511 0.937,512 1.103,513 0.969,514 0.872,515 1.124,516 0.996,517 1.014,518 0.89,519 1.008,520 1.017,521 0.925,522 1.02,523 0.983,524 1.209,525 0.996,526 5.5,527 0.205,528 3.333,529 2.125,530 1.421,531 1.208,532 0.698,533 0.316,534 0.226,535 0.267,536 21110,537 50702,538 2.221,539 45.5,541 26,543 2,544 2,549 1.777,550 2.16,551 3.59,552 0.204,558 103.512,559 1.568,560 3.576,561 4.512,562 4.809,563 4.851,564 4.851,565 2.916,566 4.239,567 5.145,568 3.789,569 2387.2,570 9.06,571 38122.6,576 398.93,577 1.056,578 5.134,579 0.134,580 0.005,581 0.058,582 0.037,583 0.025,584 0.021,585 0.012,586 0.006,587 0.005,588 0.006,589 0.31,590 0.33,591 0.75,592 0.287,593 195.734,594 -0.001,595 -0.303,596 0.092,597 -0.146,598 0.035,599 -0.033,600 -0.162,601 0.053,602 -0.01,603 0.099,604 -0.021,605 0.068,606 -0.159,607 0.018,608 -0.105,609 0.07,610 -0.115,611 0.001,612 0.129,613 -0.038,614 -0.048,615 -0.147,616 0.064,617 -0.135,618 -0.006,619 -0.155,620 0.071,621 -0.043,622 0.044,623 0.019,624 -0.078,625 0.065,626 -0.064,627 -0.001,628 -0.074,629 -0.026,630 0.048,631 -0.087,632 -0.02,633 -0.058,634 0.048,635 -0.046,636 -0.011,637 0.052,638 -0.02,639 -0.026,640 -0.072,641 -0.025,642 1.12,643 2.073,644 0.917,645 37.889,646 1.003,647 1.136,648 2.274,649 5.171,650 0.657,651 3.738,652 4.06,653 4.369,654 4.663,655 4.898,656 4.963,657 5.153,658 5.288,659 5.389,660 5.509,661 7.652,662 0.627,663 486.64,664 3.738,665 5.283,666 6.146,667 7.027,668 7.904,669 8.79,670 9.672,671 10.561,672 11.445,673 12.335,674 12.1,680 2,682 3,684 3,689 2,690 9,691 3,692 1,695 6,697 22,709 1,711 3,716 66,718 22,719 2,720 41,722 71,723 26,724 17,725 6,726 6,728 6,729 7,740 17,741 9,760 30,761 9,762 2,763 10,769 8,775 0.833,776 2,785 1,788 1,793 1,794 5,797 1,818 2,819 5,823 1,827 36,833 8,834 1,835 2,838 3,850 3,854 2,858 16.667,859 12.033,860 7.833,861 3.946,863 4.315,864 1.505,865 1.023,866 6.811,867 12.867,868 3.97,869 4.557,870 5.16,871 5.768,872 6.276,873 6.562,874 6.98,875 7.379,876 7.613,877 8.007,878 0.875,879 58,880 13.283,881 5.63,882 7.509,883 25.987,884 21.583,885 2.009,886 72.333,890 329.591,891 139.588,892 94.281,894 22,897 139.588,898 351.591,899 94.281,900 8.396,901 26.792,902 66.334,903 95.776,904 75.741,905 6.371,906 306.049,908 329.591,909 233.869,910 22,913 329.591,915 22,917 84.584,918 99.051,919 50.234,921 329.591,922 116.281,923 139.588,926 329.591,927 46.763,928 102.198,929 34.674,930 72.234,931 329.591,932 116.281,933 139.588,935 0.576,936 0.343,937 0.196,938 0.106,939 29,940 11,941 0.085,942 6,943 1,944 1.061,945 4.715,946 362.001,947 0.061,948 33,949 162.117,954 23.341,955 10.506,956 5.102,957 2.031,958 99.618,959 18.218,960 13.523,961 3.029,964 5.658,966 34.674,967 585.46,968 52,980 66.189,981 74.972,983 0.259,984 0.592,985 0.746,986 0.796,987 0.803,988 0.803,989 5.212,990 1.697,991 6.111,992 5.495,993 4.745,994 5.244,995 1.968,996 6.919,997 4.624,998 6.389,999 1.697,1000 7.659,1001 4.505,1002 4.205,1003 4.945,1004 0.766,1005 7.779,1006 4.032,1007 7.682,1008 1.548,1009 9.308,1010 4.065,1011 6.326,1012 7.42,1013 1.531,1014 10.916,1015 6.099,1016 9.012,1017 1.246,1018 11.021,1019 3.7,1020 6.661,1021 8.017,1022 0.653,1023 12.633,1024 6.388,1025 10.379,1026 1.137,1027 12.775,1028 2.838,1029 8.196,1030 9.925,1031 1.235,1032 15.258,1033 7.874,1034 11.771,1035 1,1036 14.558,1037 2.694,1038 8.94,1039 10.955,1040 0.482,1041 17.328,1042 8.58,1043 13.184,1044 1,1045 16.36,1046 2.509,1047 10.228,1048 12.62,1049 0.995,1050 19.778,1051 9.824,1052 3.169,1053 1,1054 18.176,1055 2.304,1056 11.17,1057 13.871,1058 0.337,1059 22.003,1060 10.729,1061 3.026,1062 10.975,1063 20.004,1064 2.218,1065 12.355,1066 15.428,1067 0.792,1068 24.393,1069 11.874,1070 2.765,1071 9.702,1072 21.841,1073 4.478,1074 13.391,1075 16.792,1076 0.229,1077 26.693,1078 12.875,1079 2.684,1080 8.738,1081 23.685,1082 3.928,1083 14.534,1084 18.302,1085 0.621,1086 29.066,1087 13.981,1088 2.469,1089 8.629,1090 25.535,1091 3.715,1092 15.616,1093 19.724,1094 0.153,1095 31.403,1096 15.029,1097 2.164,1098 7.507,1099 27.391,1100 3.056,1101 16.746,1102 21.217,1103 0.48,1104 33.774,1105 16.123,1106 1.865,1107 6.366,1108 29.25,1109 2.972,1110 17.851,1111 22.669,1112 0.1,1113 36.131,1114 17.194,1115 19090,1116 29765,1117 28.72,1118 43.33,1119 61.784,1120 61.886,1121 62.101,1122 61.529,1123 61.49,1124 77.815,1125 9.04,1126 174.858,1127 57.704,1128 5.563,1129 5.325,1130 6.552,1131 5.234,1132 5.169,1133 7.478,1134 1.72,1135 18.372,1136 5.054,1137 7.808,1138 1.507,1139 1.509,1140 1.515,1141 1.501,1142 1.5,1143 1.898,1144 0.22,1145 4.265,1146 1.407,1147 4.115,1148 4.159,1149 4.079,1150 4,1151 5.105,1152 4.014,1153 3.998,1154 4.041,1155 3.947,1156 3.885,1157 5,1158 3.894,1159 3.817,1160 3.876,1161 3.775,1162 3.636,1163 4.757,1164 3.663,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.624,1172 3.669,1173 3.508,1174 3.438,1175 4.552,1176 3.447,1177 3.392,1178 3.474,1179 3.304,1180 3.173,1181 4.42,1182 3.193,1183 3.248,1184 3.33,1185 3.118,1186 3.052,1187 4.121,1188 3.058,1189 3.111,1190 3.206,1191 2.951,1192 2.941,1193 3.996,1194 2.91,1195 0.111,1196 0.081,1197 0.165,1198 0.101,1199 0.077,1200 4.563,1201 0.109,1202 3.325,1203 0.021,1204 6.75,1205 0.268,1206 4.13,1207 0.074,1208 3.169,1209 4.478,1210 0.86,1211 10.975,1212 3.054,1213 1.954,1214 1.925,1215 2.046,1216 2.091,1217 1.27,1218 2.079,1219 1.933,1220 1.901,1221 2.027,1222 2.05,1223 1.19,1224 2.044,1225 1.724,1226 1.674,1227 1.905,1228 1.933,1229 1.176,1230 1.927,1231 1.683,1232 1.624,1233 1.839,1234 1.917,1235 0.993,1236 1.897,1237 1.575,1238 1.525,1239 1.774,1240 1.772,1241 0.829,1242 1.774,1243 1.334,1244 1.252,1245 1.578,1246 1.649,1247 0.825,1248 1.61,1249 1.2,1250 1.105,1251 1.513,1252 1.49,1253 0.825,1254 1.503,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.604,1260 1.429,1261 4.419,1263 5.74,1264 2.398,1265 7.263,1266 4.595,1267 8.875,1268 6.605,1269 10.532,1271 2.003,1277 6.475,1278 3.459,1279 11.145,1282 6.79,1289 41.396,1290 103.512,1291 236.039,1292 297.769,1293 317.42,1294 320.175,1295 320.175,1296 42.876,1297 8.552,1298 94.67,1299 94.67,1300 35,1301 12.865,1302 4.524,1303 3.585,1304 48.886,1305 167,1306 138,1307 0.139,1308 248.884,1309 419.78,1310 599.037,1311 71902,1313 24.321,1314 0.676,1315 0.565,1316 24.321,1317 20.353,1318 17.742,1319 0.433,1320 0.3,1321 12.063,1322 16.816,1323 11.848,1324 9.71,1325 17.742,1326 12.309,1327 15.727,1328 0.276,1329 0.157,1330 15.727,1331 8.968,1332 13.8,1333 0.177,1334 0.086,1335 13.8,1336 6.719,1337 12.023,1338 0.115,1339 0.045,1340 12.023,1341 4.769,1342 9.842,1343 0.074,1344 0.024,1345 9.842,1346 3.201,1347 0.22,1348 112.45,1349 0.187,1350 32.833,1351 0.382,1352 196,1353 546.007,1354 218.159,1355 520.867,1356 732.78,1357 496,1358 233,1359 554.71,1360 256.605,1361 557.64,1362 820.45,1363 526,1364 8.466}
{0 CHEMBL1269859,1 1.588,2 10.36,3 3.251,4 10.568,5 96.785,6 8.107,7 0.786,8 3.852,9 3.978,10 3.49,11 3.386,12 5.053,13 3.395,14 4.301,15 4.452,16 3.817,17 3.752,18 5.483,19 3.738,20 4.498,21 4.699,22 3.797,23 3.814,24 5.576,25 3.772,26 4.53,27 4.76,28 3.719,29 3.733,30 5.607,31 3.676,32 4.445,33 4.686,34 3.601,35 3.649,36 5.518,37 3.597,38 4.333,39 4.554,40 3.612,41 3.609,42 5.429,43 3.564,44 4.293,45 4.515,46 3.51,47 3.531,48 5.431,49 3.482,50 4.189,51 4.429,52 3.323,53 3.391,54 5.242,55 3.317,56 0.099,57 0.677,58 7.306,59 3.099,60 10.877,61 3.788,62 0.204,63 1.035,64 12.304,65 5.144,66 20.161,67 6.475,68 0.192,69 1.18,70 16.967,71 6.102,72 21.739,73 8.27,74 0.321,75 1.16,76 19.36,77 6.581,78 31.702,79 9.051,80 0.351,81 1.055,82 18.324,83 5.389,84 34.109,85 7.529,86 0.232,87 0.967,88 15.628,89 5.481,90 27.284,91 7.516,92 0.299,93 0.931,94 14.757,95 4.583,96 32.114,97 6.405,98 0.253,99 0.812,100 13.908,101 4.74,102 22.327,103 6.569,104 3,105 38,106 0.275,107 0.623,108 0.783,109 0.901,110 0.918,111 0.918,112 3.267,113 0.836,114 -3.98,115 -3.93,116 -3.73,118 43.9,124 1,138 8,139 2,140 2,141 2,143 1,146 1,148 1,163 1,167 6,170 1,171 3,173 3,175 8,178 7,182 1,186 6,188 3,192 8,195 2,196 2,197 5,199 2,204 5,207 1,208 1,211 1,214 1,215 6,218 1,220 5,223 3,228 1,231 2,233 3,235 2,239 1,240 1,243 2,244 1,245 2,247 5,256 1,257 1,260 6,264 878,265 17.472,266 17.472,267 17.472,268 17.472,269 17.472,270 14.868,271 23.69,272 10.468,273 17.803,274 13.825,275 13.825,276 13.825,277 13.825,278 13.825,279 9.944,280 44.811,281 4.93,282 14.396,283 3.77,284 1.755,285 0.829,286 0.146,287 0.049,288 0.049,289 3.971,292 1,293 1,294 1,295 573,296 2.55,299 52.89,300 223.708,303 98.875,307 1.706,308 17.793,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 54,320 259,321 4.517,322 3.123,323 6.521,324 4.038,325 3.061,326 4.46,327 0.765,328 10.261,329 2.99,330 4.147,331 2.943,332 5.734,333 3.734,334 2.782,335 3.751,336 0.4,337 8.157,338 2.669,339 3.992,340 2.74,341 5.527,342 3.546,343 2.59,344 3.594,345 0.4,346 7.502,347 2.453,348 3.551,349 2.46,350 5.246,351 3.175,352 2.229,353 2.909,355 6.567,356 2.106,357 3.364,358 2.124,359 4.991,360 2.953,361 1.987,362 2.658,364 5.795,365 1.916,366 3.144,367 1.853,368 4.708,369 2.698,370 1.747,371 2.385,373 5.076,374 1.656,375 3.048,376 1.548,377 4.101,378 2.535,379 1.548,380 2.321,382 3.656,383 1.528,384 2.695,385 1.316,386 3.514,387 2.211,388 1.235,389 1.783,391 2.682,392 1.206,393 2.644,394 1.199,395 3.483,396 2.123,397 1.167,398 1.712,400 2.582,401 1.111,402 2.5,403 1,404 3.412,405 1.97,406 1,407 1.5,409 2.234,410 0.968,411 2.09,412 0.936,413 3.251,414 1.614,415 0.657,416 0.921,417 1.679,418 0.627,419 1.584,420 0.723,421 2.914,422 1.322,423 0.431,424 0.482,425 0.627,426 0.378,427 1.311,428 0.154,429 2.752,430 0.94,435 1.274,436 0.063,437 2.669,438 0.9,439 -0.044,440 -0.057,441 -0.115,442 -0.041,443 0.816,444 -0.436,445 2.317,446 0.352,447 -0.604,448 -0.82,449 -1.4,450 -0.575,451 11.733,452 0.469,453 0.444,454 0.018,455 37.75,456 1.51,457 21,458 0.84,459 16.75,460 0.67,461 15.041,462 0.602,463 25.467,464 0.621,465 25.756,466 1.03,467 7.688,468 0.308,469 4.626,470 0.185,471 0.028,473 0.298,478 1.013,479 1.155,480 0.753,481 0.883,482 0.991,483 0.793,484 0.864,485 1.119,486 0.881,487 1.039,488 0.907,489 0.984,490 0.966,491 1.272,492 1.013,493 1.131,494 0.72,495 1.077,496 0.955,497 1.071,498 0.986,499 1.061,500 0.925,501 1.038,502 1.223,503 0.893,504 1.069,505 0.79,506 1.015,507 0.864,508 0.916,509 1.064,510 0.853,511 0.942,512 0.93,513 0.9,514 1.015,515 1.076,516 1.1,517 0.975,518 0.808,519 1.02,520 0.828,521 0.847,522 1.034,523 1.019,524 0.775,525 1.049,526 4.5,527 0.073,528 1.778,529 1.438,530 0.898,531 0.455,532 0.331,533 0.231,534 0.139,535 0.1,536 7859,537 21831,538 2.179,539 39,541 10,543 2,544 4,549 1.678,550 2.113,551 3.363,552 1.776,553 1,554 1,556 1,558 65.091,559 1.588,560 3.602,561 4.528,562 5.211,563 5.309,564 5.309,565 2.759,566 4.644,567 4.619,568 3.535,569 1060.4,570 7.973,571 13068.2,572 1,573 1,575 1,576 219.66,577 1.078,578 4.606,579 0.161,580 0.004,581 0.047,582 0.04,583 0.028,584 0.016,585 0.011,586 0.009,587 0.007,588 0.006,589 0.328,590 0.17,591 1,592 0.557,593 121.472,594 -0.109,595 -0.008,596 0.018,597 0.069,598 -0.171,599 0.064,600 0.04,601 -0.015,602 -0.061,603 -0.083,604 -0.068,605 -0.099,606 -0.134,607 -0.237,608 -0.105,609 -0.176,610 -0.046,611 -0.139,612 0.042,613 -0.093,614 0.005,615 -0.103,616 0.011,617 -0.07,618 -0.181,619 0.114,620 -0.062,621 0.138,622 -0.091,623 0.083,624 0.01,625 -0.082,626 0.116,627 0.034,628 -0.011,629 0.077,630 -0.029,631 -0.038,632 -0.138,633 -0.055,634 0.029,635 -0.097,636 0.101,637 0.133,638 -0.037,639 -0.061,640 0.048,641 -0.071,642 1.507,643 3.228,644 0.84,645 20.845,646 1.009,647 1.129,648 2.753,649 7.577,650 0.69,651 3.367,652 3.664,653 3.932,654 4.205,655 4.369,656 4.394,657 4.489,658 4.625,659 4.625,660 4.727,661 6.328,662 0.67,663 332.4,664 3.367,665 4.89,666 5.733,667 6.6,668 7.454,669 8.325,670 9.183,671 10.056,672 10.916,673 11.79,674 14.6,682 3,684 3,689 2,690 10,691 3,692 1,695 5,697 22,709 2,716 41,718 22,719 2,720 28,722 44,723 18,724 17,725 5,726 7,728 4,729 5,732 1,740 17,741 1,756 1,757 1,760 16,761 6,762 4,763 7,769 6,775 0.75,776 1,777 1,785 1,788 1,793 1,794 3,797 1,817 1,819 3,827 25,832 1,833 1,834 2,850 2.4,851 1,858 11.833,859 7.133,860 5.556,861 2.218,863 4.217,864 1.567,865 1.016,866 4.291,867 11.652,868 3.689,869 4.321,870 4.932,871 5.544,872 6.028,873 6.25,874 6.621,875 7.076,876 7.255,877 7.656,878 0.857,879 36,880 9.143,881 3.854,882 7.727,883 17.347,884 14.02,885 2.227,886 55.667,889 1,890 141.253,891 111.548,892 102.919,894 42.683,897 111.548,898 183.937,899 102.919,902 118.493,903 73.776,904 82.051,905 6.371,906 117.711,908 141.253,909 214.467,910 42.683,913 141.253,915 42.683,917 72.678,918 91.554,919 50.234,921 141.253,922 145.602,923 111.548,926 141.253,927 17.643,928 93.905,929 52.685,930 92.917,931 141.253,932 145.602,933 111.548,935 0.569,936 0.335,937 0.188,938 0.097,939 19,940 7,941 0.114,942 5,943 1,944 1.095,945 3.853,946 205.825,947 0.095,948 21,949 114.096,954 15.572,955 6.889,956 3.452,957 1.949,958 128.939,959 18.626,960 12.787,961 2.945,964 3.703,966 95.368,967 398.403,968 39,980 41.356,981 46.275,983 0.296,984 0.672,985 0.845,986 0.973,987 0.991,988 0.991,989 4.887,990 1.235,991 5.687,992 3.656,993 4.344,994 5.007,995 1.033,996 6.454,997 4.265,998 6.09,999 1.167,1000 7.207,1001 2.682,1002 3.761,1003 4.691,1005 7.222,1006 3.649,1007 7.385,1008 1,1009 8.823,1010 2.582,1011 5.889,1012 7.246,1013 0.58,1014 10.316,1015 5.737,1016 8.718,1017 0.657,1018 10.498,1019 2.234,1020 6.155,1021 7.804,1023 11.943,1024 5.972,1025 10.083,1026 0.431,1027 12.212,1028 1.679,1029 7.697,1030 9.769,1031 0.348,1032 14.523,1033 7.481,1034 11.47,1036 13.953,1037 0.627,1038 8.376,1039 10.769,1041 16.528,1042 8.134,1043 12.876,1044 -0.044,1045 15.715,1047 9.662,1048 12.469,1049 0.212,1050 18.932,1051 9.392,1052 3.061,1053 -0.604,1054 17.493,1055 -0.115,1056 10.55,1057 13.703,1059 21.11,1060 10.257,1061 2.782,1062 10.261,1063 19.285,1064 -1.4,1065 11.722,1066 15.279,1067 0.129,1068 23.455,1069 11.405,1070 2.59,1071 8.157,1072 21.088,1073 4.46,1074 12.714,1075 16.636,1077 25.711,1078 12.376,1079 2.229,1080 7.502,1081 22.9,1082 3.751,1083 13.838,1084 18.157,1085 0.077,1086 28.039,1087 13.477,1088 1.987,1089 6.567,1090 24.721,1091 3.594,1092 14.883,1093 19.577,1095 30.331,1096 14.502,1097 1.747,1098 5.795,1099 26.549,1100 2.909,1101 15.989,1102 21.075,1103 0.046,1104 32.654,1105 15.586,1106 1.548,1107 5.076,1108 28.384,1109 2.658,1110 17.061,1111 22.528,1113 34.964,1114 16.638,1115 7340,1116 12353,1117 19.474,1118 28.296,1119 41.121,1120 41.32,1121 41.742,1122 40.868,1123 40.866,1124 56.951,1125 3.129,1126 113.635,1127 39.215,1128 5.315,1129 5.123,1130 6.114,1131 5.114,1132 5.061,1133 7.46,1134 1.529,1135 17.103,1136 4.99,1137 6.735,1138 1.469,1139 1.476,1140 1.491,1141 1.46,1142 1.46,1143 2.034,1144 0.112,1145 4.058,1146 1.401,1147 4.106,1148 4.149,1149 4.07,1150 3.993,1151 6.457,1152 4.006,1153 3.946,1154 3.985,1155 3.892,1156 3.86,1157 5.111,1158 3.861,1159 3.787,1160 3.838,1161 3.741,1162 3.622,1163 5.002,1164 3.648,1165 3.361,1166 3.438,1167 3.278,1168 3.162,1169 4.7,1170 3.179,1171 3.263,1172 3.316,1173 3.134,1174 3.056,1175 4.428,1176 3.065,1177 3.095,1178 3.168,1179 2.99,1180 2.9,1181 4.091,1182 2.915,1183 2.994,1184 3.069,1185 2.872,1186 2.828,1187 3.975,1188 2.83,1189 2.68,1190 2.758,1191 2.57,1192 2.508,1193 3.714,1194 2.514,1195 0.161,1196 0.112,1197 0.233,1198 0.144,1199 0.109,1200 4.517,1201 0.159,1202 3.123,1203 0.027,1204 6.521,1205 0.366,1206 4.038,1207 0.107,1208 3.061,1209 4.46,1210 0.765,1211 10.261,1212 2.99,1213 1.945,1214 1.918,1215 2.031,1216 2.061,1217 1.157,1218 2.05,1219 1.912,1220 1.884,1221 2.016,1222 2.008,1223 1.14,1224 2.012,1225 1.707,1226 1.659,1227 1.803,1228 1.882,1229 0.787,1230 1.866,1231 1.312,1232 1.232,1233 1.471,1234 1.641,1235 0.585,1236 1.591,1237 1.206,1238 1.153,1239 1.454,1240 1.476,1241 0.407,1242 1.471,1243 1.025,1244 0.969,1245 1.23,1246 1.261,1247 0.292,1248 1.256,1249 1.002,1250 0.933,1251 1.222,1252 1.187,1253 0.261,1254 1.208,1255 0.841,1256 0.75,1257 1.078,1258 1.139,1259 0.03,1260 1.133,1261 4.043,1263 5.342,1264 2.398,1265 6.838,1266 4.595,1267 8.424,1268 6.605,1269 10.053,1276 9.228,1277 -0.007,1278 6.436,1289 27.477,1290 65.091,1291 147.685,1292 185.66,1293 213.66,1294 217.66,1295 217.66,1296 28.582,1297 7.435,1298 98.75,1299 98.75,1300 23,1301 12.333,1302 4.524,1303 3.585,1304 36.019,1305 96,1306 92,1307 0.183,1308 169.347,1309 275.31,1310 404.967,1311 18397,1313 17.062,1314 0.682,1315 0.531,1316 17.062,1317 13.269,1318 12.314,1319 0.44,1320 0.279,1321 7.689,1322 11.836,1323 7.561,1324 6.286,1325 12.314,1326 7.807,1327 10.723,1328 0.282,1329 0.145,1330 10.723,1331 5.511,1332 9.136,1333 0.183,1334 0.075,1335 9.136,1336 3.769,1337 7.911,1338 0.12,1339 0.039,1340 7.911,1341 2.58,1342 6.116,1343 0.078,1344 0.021,1345 6.116,1346 1.607,1347 0.289,1348 77.224,1349 0.227,1350 24.431,1351 0.494,1352 132,1353 380.084,1354 144.652,1355 375.988,1356 524.89,1357 354,1358 154,1359 397.403,1360 166.736,1361 404.593,1362 587.16,1363 381,1364 5.357}
{0 CHEMBL1269964,1 1.567,2 10.346,3 3.457,4 11.949,5 101.682,6 7.873,7 0.759,8 3.912,9 4.039,10 3.529,11 3.437,12 5.09,13 3.439,14 4.38,15 4.548,16 3.864,17 3.807,18 5.516,19 3.791,20 4.562,21 4.755,22 3.889,23 3.91,24 5.624,25 3.867,26 4.653,27 4.873,28 3.851,29 3.903,30 5.709,31 3.84,32 4.655,33 4.892,34 3.77,35 3.869,36 5.693,37 3.794,38 4.609,39 4.863,40 3.681,41 3.774,42 5.629,43 3.7,44 4.432,45 4.68,46 3.573,47 3.634,48 5.496,49 3.567,50 4.275,51 4.502,52 3.409,53 3.517,54 5.32,55 3.434,56 0.081,57 0.717,58 8.251,59 3.427,60 10.717,61 4.381,62 0.233,63 1.105,64 14.673,65 5.526,66 20.933,67 7.276,68 0.159,69 1.269,70 18.356,71 6.669,72 19.563,73 9.228,74 0.322,75 1.327,76 21.711,77 7.468,78 30.864,79 10.355,80 0.311,81 1.293,82 22.567,83 7.329,84 34.456,85 10.528,86 0.356,87 1.222,88 22.473,89 6.779,90 39.152,91 9.816,92 0.321,93 1.028,94 18.501,95 5.663,96 35.649,97 8.333,98 0.234,99 0.892,100 14.902,101 5.302,102 21.847,103 7.374,104 6,105 40,106 0.267,107 0.634,108 0.789,109 0.89,110 0.906,111 0.906,112 3.304,113 0.848,114 -4.21,115 -4.16,116 -3.93,118 43.2,123 1,124 1,138 8,139 2,140 2,141 2,143 1,146 1,148 1,163 1,167 6,170 2,171 6,173 2,175 5,178 7,182 2,186 5,188 3,191 2,192 9,195 2,197 4,199 2,204 5,207 1,208 1,211 1,214 1,215 8,218 1,220 3,223 3,228 3,231 2,233 1,235 2,239 1,240 2,243 2,244 1,245 1,247 5,255 1,257 1,260 6,264 982,265 18.024,266 18.024,267 18.024,268 18.024,269 18.024,270 15.469,271 23.882,272 10.673,273 18.397,274 14.277,275 14.277,276 14.277,277 14.277,278 14.277,279 10.425,280 43.132,281 4.983,282 14.908,283 3.893,284 1.746,285 0.835,286 0.244,287 0.154,288 0.154,289 4.004,292 1,293 1,294 1,295 592,296 2.915,299 55.262,300 235.118,303 103.616,307 1.654,308 16.902,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 56,320 269,321 4.563,322 3.325,323 6.75,324 4.13,325 3.169,326 4.478,327 0.8,328 10.975,329 3.054,330 4.176,331 2.944,332 6.075,333 3.753,334 2.805,335 3.776,336 0.765,337 8.751,338 2.675,339 4.038,340 2.807,341 5.674,342 3.632,343 2.665,344 3.624,345 0.4,346 7.922,347 2.556,348 3.676,349 2.58,350 5.372,351 3.29,352 2.354,353 3.038,355 6.925,356 2.198,357 3.365,358 2.172,359 5.089,360 2.972,361 2.005,362 2.658,364 5.918,365 1.934,366 3.162,367 1.857,368 4.783,369 2.713,370 1.759,371 2.411,373 5.202,374 1.673,375 3.048,376 1.548,377 4.207,378 2.535,379 1.548,380 2.321,382 3.702,383 1.528,384 2.713,385 1.352,386 3.746,387 2.235,388 1.267,389 1.807,391 2.847,392 1.225,393 2.652,394 1.24,395 3.498,396 2.159,397 1.182,398 1.723,400 2.612,401 1.151,402 2.5,403 1.004,404 3.467,405 1.97,406 1,407 1.5,409 2.304,410 0.968,411 2.277,412 1,413 3.394,414 1.842,415 0.911,416 1.205,417 2.218,418 0.846,419 1.775,420 0.936,421 3.048,422 1.326,423 0.431,424 0.509,425 0.911,426 0.378,427 1.584,428 0.429,429 2.894,430 1.322,431 0.367,432 0.482,433 0.627,434 0.351,435 1.291,436 0.152,437 2.671,438 0.94,443 0.838,444 -0.436,445 2.422,446 0.381,447 -0.587,448 -0.798,449 -1.413,450 -0.565,451 12.233,452 0.471,453 0.516,454 0.02,455 38.5,456 1.481,457 21,458 0.808,459 17.5,460 0.673,461 16.961,462 0.652,463 26.767,464 0.608,465 27.445,466 1.056,467 7.852,468 0.302,469 4.89,470 0.188,471 0.068,473 0.319,478 0.976,479 1.265,480 0.761,481 0.974,482 0.974,483 0.859,484 0.952,485 1.022,486 0.856,487 0.902,488 0.899,489 0.872,490 0.937,491 1.297,492 0.971,493 1.126,494 0.664,495 1.057,496 0.989,497 1.066,498 1.041,499 1.071,500 0.957,501 1.066,502 0.999,503 1.096,504 1.043,505 1.017,506 0.85,507 1.024,508 1.126,509 0.932,510 1.033,511 0.863,512 1.011,513 0.912,514 0.909,515 0.958,516 0.953,517 0.852,518 0.699,519 0.884,520 0.812,521 0.926,522 1.09,523 1.118,524 0.787,525 1.139,526 4.5,527 0.073,528 2.444,529 1.813,530 1.128,531 0.66,532 0.412,533 0.262,534 0.185,535 0.135,536 8346,537 22650,538 2.148,539 40.9,541 13,543 2,544 3,549 1.69,550 2.053,551 3.364,552 0.974,554 1,558 68.936,559 1.567,560 3.713,561 4.624,562 5.215,563 5.306,564 5.306,565 2.763,566 4.47,567 4.675,568 3.523,569 1144.95,570 8.095,571 14288.1,573 1,575 1,576 240.215,577 1.239,578 4.65,579 0.155,580 0.004,581 0.061,582 0.045,583 0.03,584 0.019,585 0.013,586 0.009,587 0.008,588 0.007,589 0.353,590 0.33,591 1,592 0.646,593 127.222,594 -0.063,595 -0.106,596 0.037,598 -0.149,599 0.025,600 0.016,601 0.096,602 0.01,603 0.054,604 -0.055,605 0.028,606 -0.113,607 -0.236,608 -0.077,609 -0.159,610 -0.012,611 -0.118,612 -0.007,613 -0.049,614 -0.085,615 -0.115,616 -0.06,617 -0.117,618 -0.074,619 -0.105,620 -0.064,621 -0.059,622 -0.015,623 -0.056,624 -0.12,625 0.054,626 -0.018,627 0.074,628 -0.102,629 0.051,630 0.042,631 0.038,632 0.046,633 0.092,634 0.121,635 0.08,636 0.085,637 0.081,638 -0.134,639 -0.153,640 0.006,641 -0.176,642 1.506,643 3.267,644 0.808,645 21.769,646 1.005,647 1.129,648 2.985,649 8.91,650 0.683,651 3.401,652 3.714,653 4.007,654 4.277,655 4.454,656 4.477,657 4.595,658 4.682,659 4.7,660 4.796,661 6.273,662 0.659,663 346.43,664 3.401,665 4.934,666 5.79,667 6.666,668 7.534,669 8.415,670 9.288,671 10.171,672 11.047,673 11.931,674 13.6,682 3,684 3,689 2,690 10,691 3,692 1,695 5,697 22,709 1,711 1,716 44,718 22,719 2,720 29,722 47,723 19,724 17,725 5,726 7,728 4,729 5,732 1,740 17,741 2,756 1,757 1,760 18,761 6,762 3,763 7,769 6,775 0.75,776 1,777 1,785 1,788 1,793 1,794 3,797 1,817 1,819 3,823 1,827 26,832 1,833 1,834 1,838 1,850 2.3,851 1,858 12.667,859 8.083,860 5.778,861 2.393,863 4.18,864 1.559,865 1.003,866 4.522,867 11.658,868 3.714,869 4.347,870 4.974,871 5.587,872 6.081,873 6.311,874 6.704,875 7.117,876 7.314,877 7.715,878 0.857,879 40,880 9.517,881 3.993,882 7.699,883 18.129,884 14.636,885 2.199,886 57.167,889 1,890 176.567,891 119.944,892 88.032,894 42.683,897 119.944,898 219.25,899 88.032,900 8.396,902 118.493,903 73.776,904 67.165,905 6.371,906 153.024,908 176.567,909 207.977,910 42.683,913 176.567,915 42.683,917 57.792,918 99.95,919 50.234,921 176.567,922 130.715,923 119.944,926 176.567,927 17.643,928 105.426,929 34.674,930 92.917,931 176.567,932 130.715,933 119.944,935 0.574,936 0.347,937 0.193,938 0.1,939 20,940 8,941 0.106,942 5,943 1,944 1.095,945 3.853,946 221.178,947 0.095,948 21,949 122.211,954 16.517,955 7.119,956 3.41,957 2.001,958 114.052,959 18.886,960 13.001,961 2.979,964 3.907,966 77.357,967 427.226,968 40,980 44.24,981 49.69,983 0.287,984 0.68,985 0.847,986 0.955,987 0.972,988 0.972,989 4.924,990 1.267,991 5.759,992 3.702,993 4.394,994 5.034,995 1.238,996 6.561,997 4.309,998 6.132,999 1.182,1000 7.307,1001 2.847,1002 3.892,1003 4.745,1004 0.325,1005 7.431,1006 3.757,1007 7.434,1008 1,1009 8.956,1010 2.612,1011 5.974,1012 7.274,1013 0.787,1014 10.549,1015 5.805,1016 8.776,1017 0.911,1018 10.667,1019 2.304,1020 6.33,1021 7.858,1022 0.268,1023 12.275,1024 6.108,1025 10.149,1026 0.431,1027 12.418,1028 2.218,1029 7.838,1030 9.805,1031 0.518,1032 14.903,1033 7.588,1034 11.547,1035 0.367,1036 14.197,1037 0.911,1038 8.595,1039 10.823,1040 0.188,1041 16.992,1042 8.296,1043 12.963,1045 15.998,1046 0.627,1047 9.869,1048 12.513,1049 0.34,1050 19.459,1051 9.542,1052 3.169,1053 -0.587,1054 17.815,1056 10.819,1057 13.758,1058 0.125,1059 21.71,1060 10.448,1061 2.805,1062 10.975,1063 19.646,1064 -1.413,1065 11.998,1066 15.33,1067 0.219,1068 24.123,1069 11.596,1070 2.665,1071 8.751,1072 21.487,1073 4.478,1074 13.041,1075 16.694,1076 0.082,1077 26.448,1078 12.599,1079 2.354,1080 7.922,1081 23.337,1082 3.776,1083 14.185,1084 18.214,1085 0.139,1086 28.844,1087 13.71,1088 2.005,1089 6.925,1090 25.195,1091 3.624,1092 15.273,1093 19.639,1094 0.054,1095 31.204,1096 14.761,1097 1.759,1098 5.918,1099 27.06,1100 3.038,1101 16.406,1102 21.139,1103 0.087,1104 33.596,1105 15.861,1106 1.548,1107 5.202,1108 28.931,1109 2.658,1110 17.519,1111 22.597,1112 0.035,1113 35.973,1114 16.936,1115 7848,1116 13049,1117 19.879,1118 30.057,1119 43.197,1120 43.27,1121 44.265,1122 42.926,1123 42.928,1124 59.067,1125 3.929,1126 121.83,1127 41.076,1128 5.362,1129 5.325,1130 6.343,1131 5.207,1132 5.169,1133 7.478,1134 1.565,1135 18.372,1136 5.054,1137 9.218,1138 1.49,1139 1.492,1140 1.526,1141 1.48,1142 1.48,1143 2.037,1144 0.135,1145 4.201,1146 1.416,1147 4.111,1148 4.154,1149 4.076,1150 3.998,1151 6.457,1152 4.011,1153 3.946,1154 3.986,1155 3.893,1156 3.86,1157 5.104,1158 3.861,1159 3.796,1160 3.846,1161 3.749,1162 3.632,1163 4.998,1164 3.657,1165 3.397,1166 3.481,1167 3.31,1168 3.174,1169 4.698,1170 3.195,1171 3.275,1172 3.342,1173 3.151,1174 3.076,1175 4.421,1176 3.085,1177 3.225,1178 3.291,1179 3.075,1180 3.023,1181 4.12,1182 3.024,1183 3.019,1184 3.096,1185 2.886,1186 2.842,1187 3.975,1188 2.843,1189 2.838,1190 2.916,1191 2.668,1192 2.678,1193 3.744,1194 2.663,1195 0.157,1196 0.115,1197 0.233,1198 0.142,1199 0.109,1200 4.563,1201 0.154,1202 3.325,1203 0.028,1204 6.75,1205 0.378,1206 4.13,1207 0.105,1208 3.169,1209 4.478,1210 0.8,1211 10.975,1212 3.054,1213 1.952,1214 1.924,1215 2.035,1216 2.069,1217 1.177,1218 2.058,1219 1.912,1220 1.884,1221 2.018,1222 2.009,1223 1.14,1224 2.013,1225 1.714,1226 1.666,1227 1.815,1228 1.886,1229 0.833,1230 1.871,1231 1.336,1232 1.254,1233 1.582,1234 1.653,1235 0.617,1236 1.614,1237 1.219,1238 1.156,1239 1.467,1240 1.506,1241 0.574,1242 1.51,1243 1.182,1244 1.096,1245 1.436,1246 1.456,1247 0.391,1248 1.461,1249 1.014,1250 0.951,1251 1.224,1252 1.225,1253 0.275,1254 1.234,1255 0.991,1256 0.921,1257 1.222,1258 1.187,1259 0.261,1260 1.208,1261 4.078,1263 5.389,1264 2.398,1265 6.903,1266 4.595,1267 8.507,1268 6.605,1269 10.156,1271 1.959,1276 9.267,1277 -0.006,1278 3.179,1282 1.995,1289 29.004,1290 68.936,1291 163.386,1292 203.46,1293 229.46,1294 233.46,1295 233.46,1296 30.835,1297 7.478,1298 89.96,1299 89.96,1300 23,1301 12.465,1302 4.524,1303 3.585,1304 38.076,1305 98,1306 100,1307 0.189,1308 178.939,1309 292.61,1310 428.372,1311 18948,1313 17.933,1314 0.69,1315 0.547,1316 17.933,1317 14.217,1318 12.742,1319 0.439,1320 0.283,1321 8.07,1322 12.227,1323 7.88,1324 6.572,1325 12.742,1326 8.201,1327 11.144,1328 0.279,1329 0.147,1330 11.144,1331 5.889,1332 9.758,1333 0.181,1334 0.077,1335 9.758,1336 4.173,1337 8.303,1338 0.117,1339 0.04,1340 8.303,1341 2.841,1342 6.484,1343 0.076,1344 0.021,1345 6.484,1346 1.774,1347 0.296,1348 80.003,1349 0.224,1350 25.089,1351 0.518,1352 138,1353 391.396,1354 151.012,1355 386.312,1356 540.99,1357 364,1358 163,1359 411.319,1360 176.735,1361 419.403,1362 610.35,1363 394,1364 6.635}
{0 CHEMBL1269965,1 1.58,2 11.214,3 3.269,4 10.689,5 108.343,6 7.946,7 0.71,8 3.972,9 4.105,10 3.597,11 3.49,12 5.158,13 3.495,14 4.444,15 4.623,16 3.939,17 3.854,18 5.602,19 3.843,20 4.621,21 4.807,22 3.954,23 3.949,24 5.775,25 3.914,26 4.729,27 4.959,28 3.881,29 3.898,30 5.863,31 3.847,32 4.588,33 4.808,34 3.785,35 3.854,36 5.691,37 3.796,38 4.599,39 4.835,40 3.775,41 3.834,42 5.645,43 3.765,44 4.522,45 4.758,46 3.668,47 3.724,48 5.631,49 3.656,50 4.422,51 4.686,52 3.55,53 3.569,54 5.454,55 3.499,56 0.079,57 0.781,58 8.537,59 3.513,60 7.978,61 4.583,62 0.287,63 1.185,64 15.674,65 5.663,66 18.868,67 7.662,68 0.183,69 1.333,70 19.078,71 6.948,72 24.35,73 9.427,74 0.481,75 1.348,76 24.978,77 7.854,78 59.435,79 10.675,80 0.345,81 1.245,82 20.108,83 6.507,84 35.205,85 9.113,86 0.272,87 1.223,88 21.337,89 7.398,90 34.033,91 10.562,92 0.381,93 1.146,94 19.428,95 6.007,96 38.981,97 8.714,98 0.286,99 0.993,100 18.901,101 6.062,102 28.251,103 8.919,104 12,105 43,106 0.265,107 0.62,108 0.756,109 0.856,110 0.87,111 0.87,112 3.374,113 0.843,114 -4.03,115 -3.98,116 -3.77,118 42.6,123 2,138 8,139 2,140 2,141 2,143 1,146 1,148 1,153 1,163 1,167 6,170 2,171 5,173 3,175 7,178 7,182 5,186 4,188 3,192 10,195 2,196 2,197 4,199 2,204 7,206 2,211 1,214 1,215 6,218 1,220 5,223 3,227 4,228 1,233 3,235 2,239 1,240 1,243 2,244 1,245 2,247 5,252 2,255 2,260 6,264 1222,265 19.016,266 19.016,267 19.016,268 19.016,269 19.016,270 16.344,271 23.948,272 11.25,273 19.416,274 15.323,275 15.323,276 15.323,277 15.323,278 15.323,279 11.272,280 42.163,281 5.342,282 15.948,283 3.974,284 1.861,285 1.053,286 0.458,287 0.373,288 0.373,289 4.072,292 1,293 1,294 1,295 684,296 3.391,299 61.818,300 259.947,303 115.264,307 1.857,308 21.722,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 60.5,320 314,321 4.517,322 3.665,323 6.521,324 4.038,325 3.061,326 4.46,327 1.2,328 10.261,329 2.99,330 4.273,331 3.123,332 6.301,333 3.935,334 2.945,335 3.845,336 0.4,337 9.306,338 2.912,339 4.077,340 2.88,341 5.695,342 3.642,343 2.712,344 3.66,345 0.4,346 8.008,347 2.518,348 3.739,349 2.595,350 5.415,351 3.375,352 2.417,353 3.066,354 0.293,355 7.093,356 2.311,357 3.503,358 2.261,359 5.158,360 3.07,361 2.126,362 2.878,364 6.207,365 2.004,366 3.235,367 2.015,368 4.87,369 2.82,370 1.865,371 2.493,373 5.378,374 1.776,375 3.048,376 1.912,377 4.644,378 2.625,379 1.675,380 2.321,382 4.669,383 1.586,384 2.994,385 1.692,386 4.101,387 2.535,388 1.548,389 2.133,391 3.656,392 1.528,393 2.676,394 1.548,395 3.526,396 2.202,397 1.226,398 1.754,400 2.685,401 1.196,402 2.634,403 1.229,404 3.489,405 2.123,406 1.165,407 1.693,409 2.585,410 1.111,411 2.5,412 1.159,413 3.412,414 1.97,415 1,416 1.5,417 2.234,418 0.968,419 2.136,420 1,421 3.251,422 1.658,423 0.657,424 0.921,425 1.679,426 0.63,427 2.09,428 0.723,429 3.154,430 1.614,431 0.612,432 0.85,433 1.395,434 0.627,435 1.312,436 0.154,437 2.88,438 0.94,443 1.275,444 0.063,445 2.746,446 0.9,447 -0.044,448 -0.057,449 -0.115,450 -0.041,451 13.133,452 0.469,453 0.661,454 0.024,455 41.5,456 1.482,457 22.5,458 0.804,459 19,460 0.679,461 18.225,462 0.651,463 28.867,464 0.614,465 31.057,466 1.109,467 8.496,468 0.303,469 5.101,470 0.182,471 0.102,473 0.335,478 0.841,479 1.333,480 0.737,481 1.016,482 0.64,483 0.879,484 0.795,485 0.978,486 0.793,487 0.855,488 0.612,489 0.821,490 1.078,491 1.345,492 1.025,493 1.228,494 0.927,495 1.131,496 1.441,497 0.954,498 1.036,499 0.905,500 1.849,501 0.926,502 1.1,503 1.004,504 1.114,505 0.982,506 0.959,507 1.028,508 0.821,509 1.081,510 0.866,511 1.003,512 0.812,513 0.956,514 0.915,515 1.017,516 1.094,517 1.012,518 0.681,519 1.058,520 0.718,521 0.922,522 0.788,523 0.909,524 0.611,525 0.865,526 5.5,527 0.114,528 2.667,529 1.813,530 1.098,531 0.628,532 0.492,533 0.325,534 0.209,535 0.164,536 10516,537 28939,538 2.115,539 40.4,541 14,543 2,544 3,549 1.708,550 2,551 3.479,552 0.953,553 1,554 1,558 74.265,559 1.58,560 3.693,561 4.501,562 5.097,563 5.182,564 5.182,565 2.897,566 4.423,567 4.783,568 3.676,569 1389.34,570 8.301,571 18785.1,573 1,575 1,576 261.066,577 1.333,578 4.748,579 0.177,580 0.005,581 0.062,582 0.043,583 0.029,584 0.018,585 0.014,586 0.011,587 0.008,588 0.007,589 0.374,590 0.33,591 1,592 0.86,593 141.916,594 -0.04,595 -0.152,596 0.046,597 -0.042,598 -0.078,599 0.006,600 0.122,601 0.146,602 0.077,603 0.097,604 0.066,605 0.082,606 -0.138,607 -0.289,608 -0.131,609 -0.254,610 -0.015,611 -0.198,612 -0.12,613 -0.001,614 -0.013,615 0.057,616 -0.191,617 0.031,618 -0.129,619 0.031,620 -0.167,621 -0.031,622 -0.105,623 -0.088,624 0.038,625 -0.126,626 0.115,627 -0.004,628 0.017,629 0.051,630 0.052,631 0.003,632 -0.117,633 -0.078,634 0.064,635 -0.114,636 0.189,637 0.012,638 0.246,639 0.064,640 0.166,641 0.146,642 1.729,643 5.141,644 0.75,645 25.643,646 1.007,647 1.132,648 2.798,649 7.827,650 0.682,651 3.466,652 3.784,653 4.043,654 4.29,655 4.454,656 4.5,657 4.605,658 4.745,659 4.727,660 4.852,661 6.952,662 0.66,663 373.46,664 3.466,665 5.004,666 5.849,667 6.72,668 7.578,669 8.452,670 9.314,671 10.189,672 11.052,673 11.927,674 14.9,681 1,682 3,684 3,689 2,690 10,691 3,692 1,695 5,697 22,705 1,709 2,716 47,718 23,719 2,720 31,722 50,723 20,724 17,725 5,726 7,727 1,728 4,729 5,740 18,741 2,744 1,749 1,753 1,757 1,760 19,761 7,762 3,763 8,769 7,775 0.75,776 1,785 1,788 1,793 1,794 3,797 1,819 3,823 2,827 28,834 2,838 1,850 2.1,853 1,858 14,859 9.05,860 6.111,861 2.547,863 4.359,864 1.568,865 1.019,866 5.022,867 12.037,868 3.784,869 4.41,870 5.015,871 5.601,872 6.091,873 6.329,874 6.721,875 7.145,876 7.324,877 7.735,878 1,879 42,880 10.264,881 4.309,882 7.744,883 19.397,884 15.495,885 2.244,886 62.833,889 1,890 188.338,891 133.045,892 106.043,894 25.145,897 133.045,898 213.483,899 106.043,900 16.793,901 3.124,902 75.81,903 103.626,904 82.051,905 6.371,906 164.795,908 188.338,909 239.088,910 25.145,913 188.338,914 25.145,917 75.803,918 113.051,919 50.234,921 188.338,922 131.188,923 133.045,926 188.338,927 22.348,928 113.822,929 52.685,930 75.379,931 188.338,932 131.188,933 133.045,935 0.581,936 0.339,937 0.18,938 0.092,939 21,940 9,941 0.1,942 5,943 1,944 1.095,945 4.041,946 240.192,947 0.095,948 21,949 130.606,954 18.107,955 7.765,956 4.037,957 1.922,958 114.525,959 18.324,960 12.838,961 2.946,964 3.303,966 52.685,967 452.571,968 43,973 12.141,977 -0.062,980 47.342,981 53.189,983 0.284,984 0.665,985 0.81,986 0.918,987 0.933,988 0.933,989 5.001,990 1.548,991 5.826,992 4.669,993 4.466,994 5.097,995 1.509,996 6.613,997 4.392,998 6.213,999 1.226,1000 7.37,1001 3.656,1002 4.007,1003 4.844,1004 0.325,1005 7.445,1006 3.898,1007 7.515,1008 1.165,1009 9.011,1010 2.685,1011 6.038,1012 7.324,1013 1.534,1014 10.534,1015 5.897,1016 8.854,1017 1,1018 10.711,1019 2.585,1020 6.399,1021 7.921,1022 0.653,1023 12.194,1024 6.236,1025 10.224,1026 0.657,1027 12.448,1028 2.234,1029 7.884,1030 9.844,1031 1.742,1032 14.78,1033 7.693,1034 11.617,1035 0.612,1036 14.21,1037 1.679,1038 8.626,1039 10.863,1040 1.001,1041 16.792,1042 8.42,1043 13.028,1045 15.991,1046 1.395,1047 9.884,1048 12.54,1049 1.993,1050 19.199,1051 9.653,1052 3.061,1053 -0.044,1054 17.787,1056 10.809,1057 13.78,1058 1.37,1059 21.369,1060 10.566,1061 2.945,1062 10.261,1063 19.594,1064 -0.115,1065 11.97,1066 15.343,1067 2.264,1068 23.71,1069 11.705,1070 2.712,1071 9.306,1072 21.409,1073 4.46,1074 12.983,1075 16.699,1076 1.754,1077 25.952,1078 12.705,1079 2.417,1080 8.008,1081 23.233,1082 3.845,1083 14.103,1084 18.213,1085 2.551,1086 28.27,1087 13.807,1088 2.126,1089 7.093,1090 25.062,1091 3.66,1092 15.159,1093 19.629,1094 2.143,1095 30.547,1096 14.848,1097 1.865,1098 6.207,1099 26.896,1100 3.066,1101 16.264,1102 21.122,1103 2.851,1104 32.858,1105 15.935,1106 1.675,1107 5.378,1108 28.735,1109 2.878,1110 17.341,1111 22.571,1112 2.535,1113 35.153,1114 16.997,1115 9946,1116 16642,1117 20.978,1118 32.063,1119 46.782,1120 47.243,1121 47.158,1122 46.135,1123 46.018,1124 63.147,1125 4.586,1126 130.311,1127 44.317,1128 5.325,1129 5.665,1130 6.086,1131 5.114,1132 5.061,1133 7.46,1134 2.293,1135 17.103,1136 4.99,1137 12.278,1138 1.509,1139 1.524,1140 1.521,1141 1.488,1142 1.484,1143 2.037,1144 0.148,1145 4.204,1146 1.43,1147 4.106,1148 4.15,1149 4.07,1150 3.993,1151 7.428,1152 4.006,1153 3.959,1154 3.995,1155 3.912,1156 3.867,1157 5.111,1158 3.872,1159 3.795,1160 3.847,1161 3.755,1162 3.624,1163 5.002,1164 3.65,1165 3.558,1166 3.635,1167 3.448,1168 3.316,1169 4.698,1170 3.338,1171 3.359,1172 3.435,1173 3.274,1174 3.162,1175 4.428,1176 3.178,1177 3.133,1178 3.206,1179 3.035,1180 2.933,1181 4.206,1182 2.95,1183 3.03,1184 3.095,1185 2.916,1186 2.855,1187 4.089,1188 2.862,1189 2.967,1190 3.02,1191 2.83,1192 2.804,1193 3.969,1194 2.799,1195 0.146,1196 0.118,1197 0.21,1198 0.13,1199 0.099,1200 4.517,1201 0.144,1202 3.665,1203 0.039,1204 6.521,1205 0.331,1206 4.038,1207 0.096,1208 3.061,1209 4.46,1210 1.2,1211 10.261,1212 2.99,1213 1.945,1214 1.918,1215 2.026,1216 2.063,1217 1.157,1218 2.05,1219 1.914,1220 1.888,1221 2.009,1222 2.015,1223 1.103,1224 2.014,1225 1.709,1226 1.66,1227 1.807,1228 1.893,1229 0.829,1230 1.872,1231 1.493,1232 1.414,1233 1.763,1234 1.757,1235 0.78,1236 1.764,1237 1.312,1238 1.232,1239 1.457,1240 1.639,1241 0.469,1242 1.591,1243 1.053,1244 0.992,1245 1.417,1246 1.3,1247 0.407,1248 1.308,1249 1.018,1250 0.961,1251 1.238,1252 1.239,1253 0.295,1254 1.287,1255 0.95,1256 0.897,1257 1.222,1258 1.187,1259 0.274,1260 1.208,1261 4.143,1263 5.46,1264 2.398,1265 6.965,1266 4.595,1267 8.555,1268 6.605,1269 10.188,1271 3.447,1278 6.437,1282 1.538,1289 31.025,1290 74.265,1291 173.582,1292 211.556,1293 239.556,1294 243.556,1295 243.556,1296 38.049,1297 7.678,1298 98.83,1299 98.83,1300 23,1301 12.469,1302 4.585,1303 3.7,1304 42.56,1305 118,1306 100,1307 0.174,1308 192.399,1309 318.27,1310 461.213,1311 25202,1313 19.51,1314 0.697,1315 0.553,1316 19.51,1317 15.471,1318 13.597,1319 0.439,1320 0.281,1321 8.561,1322 13.025,1323 8.318,1324 6.981,1325 13.597,1326 8.709,1327 12.312,1328 0.286,1329 0.15,1330 12.312,1331 6.433,1332 10.286,1333 0.184,1334 0.075,1335 10.286,1336 4.175,1337 8.492,1338 0.118,1339 0.039,1340 8.492,1341 2.821,1342 6.532,1343 0.077,1344 0.021,1345 6.532,1346 1.747,1347 0.278,1348 85.539,1349 0.218,1350 26.937,1351 0.467,1352 148,1353 437.315,1354 163.175,1355 431.727,1356 598.47,1357 404,1358 173,1359 453.637,1360 188.898,1361 463.051,1362 669.96,1363 433,1364 4.983}
{0 CHEMBL1270075,1 1.561,2 11.207,3 3.475,4 12.078,5 113.24,6 7.75,7 0.688,8 4.025,9 4.159,10 3.633,11 3.535,12 5.191,13 3.535,14 4.513,15 4.704,16 3.98,17 3.904,18 5.631,19 3.891,20 4.678,21 4.858,22 4.033,23 4.033,24 5.814,25 3.997,26 4.831,27 5.053,28 3.994,29 4.043,30 5.943,31 3.987,32 4.773,33 4.993,34 3.927,35 4.037,36 5.84,37 3.96,38 4.816,39 5.078,40 3.834,41 3.968,42 5.81,43 3.877,44 4.635,45 4.89,46 3.721,47 3.809,48 5.684,49 3.728,50 4.49,51 4.742,52 3.619,53 3.675,54 5.517,55 3.598,56 0.061,57 0.821,58 9.484,59 3.831,60 8.128,61 5.158,62 0.316,63 1.254,64 17.888,65 6.011,66 20,67 8.417,68 0.15,69 1.424,70 20.559,71 7.539,72 22.699,73 10.413,74 0.477,75 1.518,76 27.318,77 8.745,78 57.372,79 12.031,80 0.306,81 1.483,82 24.547,83 8.48,84 36.247,85 12.147,86 0.391,87 1.467,88 28.071,89 8.631,90 45.682,91 12.826,92 0.401,93 1.24,94 23.039,95 7.054,96 42.691,97 10.565,98 0.263,99 1.074,100 19.775,101 6.6,102 27.439,103 9.671,104 19,105 45,106 0.259,107 0.61,108 0.736,109 0.85,110 0.863,111 0.863,112 3.408,113 0.853,114 -4.25,115 -4.19,116 -3.96,118 42,123 3,138 8,139 2,140 2,141 2,143 1,146 1,148 1,153 1,163 1,167 6,170 3,171 8,173 2,175 4,178 7,182 6,186 3,188 3,191 2,192 11,195 2,197 3,199 2,204 7,206 2,211 1,214 1,215 8,218 1,220 3,223 3,227 4,228 3,233 1,235 2,239 1,240 2,243 2,244 1,245 1,247 5,251 2,252 2,260 6,264 1304,265 19.568,266 19.568,267 19.568,268 19.568,269 19.568,270 16.946,271 24.139,272 11.456,273 20.009,274 15.774,275 15.774,276 15.774,277 15.774,278 15.774,279 11.753,280 40.484,281 5.396,282 16.459,283 4.083,284 1.97,285 1.211,286 0.525,287 0.445,288 0.445,289 4.103,293 1,294 1,295 705,296 3.674,299 64.19,300 271.357,303 120.005,307 1.8,308 20.828,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 62.5,320 325,321 4.563,322 3.665,323 6.75,324 4.13,325 3.169,326 4.478,327 1.2,328 10.975,329 3.054,330 4.274,331 3.324,332 6.301,333 3.935,334 2.945,335 3.849,336 0.8,337 9.307,338 2.912,339 4.136,340 2.894,341 6.074,342 3.709,343 2.769,344 3.708,345 0.4,346 8.739,347 2.592,348 3.795,349 2.723,350 5.583,351 3.46,352 2.513,353 3.116,354 0.293,355 7.568,356 2.38,357 3.591,358 2.347,359 5.253,360 3.159,361 2.216,362 2.959,364 6.434,365 2.084,366 3.243,367 2.02,368 4.98,369 2.821,370 1.865,371 2.515,373 5.536,374 1.777,375 3.048,376 1.912,377 4.677,378 2.639,379 1.687,380 2.321,382 4.7,383 1.601,384 3.003,385 1.703,386 4.207,387 2.535,388 1.548,389 2.141,391 3.701,392 1.528,393 2.699,394 1.548,395 3.746,396 2.226,397 1.26,398 1.783,400 2.847,401 1.216,402 2.637,403 1.297,404 3.514,405 2.157,406 1.177,407 1.697,409 2.617,410 1.149,411 2.5,412 1.163,413 3.467,414 1.97,415 1,416 1.5,417 2.304,418 0.968,419 2.277,420 1.004,421 3.394,422 1.842,423 0.911,424 1.205,425 2.218,426 0.846,427 2.136,428 1,429 3.155,430 1.657,431 0.612,432 0.85,433 1.395,434 0.63,435 1.775,436 0.429,437 3.045,438 1.326,439 0.367,440 0.509,441 0.911,442 0.351,443 1.293,444 0.152,445 2.857,446 0.94,451 13.633,452 0.47,453 0.733,454 0.025,455 42.25,456 1.457,457 22.5,458 0.776,459 19.75,460 0.681,461 20.245,462 0.698,463 30.167,464 0.603,465 32.839,466 1.132,467 8.66,468 0.299,469 5.365,470 0.185,471 0.134,473 0.352,478 0.811,479 1.425,480 0.747,481 1.09,482 0.63,483 0.933,484 0.877,485 0.901,486 0.779,487 0.75,488 0.612,489 0.737,490 1.049,491 1.365,492 0.989,493 1.219,494 0.882,495 1.111,496 1.444,497 0.96,498 1.077,499 0.931,500 1.82,501 0.962,502 0.919,503 1.168,504 1.084,505 1.151,506 0.822,507 1.14,508 1.018,509 0.975,510 1.007,511 0.929,512 0.872,513 0.954,514 0.842,515 0.929,516 0.977,517 0.908,518 0.61,519 0.943,520 0.712,521 0.983,522 0.851,523 0.997,524 0.626,525 0.952,526 5.5,527 0.147,528 3.333,529 2.188,530 1.328,531 0.833,532 0.574,533 0.356,534 0.23,535 0.2,536 11119,537 29948,538 2.09,539 42,541 17,543 2,544 2,549 1.718,550 1.955,551 3.485,552 0.262,554 1,558 78.064,559 1.561,560 3.674,561 4.433,562 5.119,563 5.199,564 5.199,565 2.902,566 4.513,567 4.833,568 3.667,569 1488.6,570 8.409,571 20358.1,573 1,575 1,576 282.193,577 1.416,578 4.788,579 0.172,580 0.006,581 0.074,582 0.048,583 0.031,584 0.021,585 0.016,586 0.011,587 0.008,588 0.008,589 0.394,590 0.17,591 1,592 0.897,593 147.918,594 -0.002,595 -0.233,596 0.061,597 -0.096,598 -0.065,599 -0.024,600 0.099,601 0.232,602 0.124,603 0.198,604 0.069,605 0.173,606 -0.116,607 -0.284,608 -0.1,609 -0.23,610 0.016,611 -0.17,612 -0.147,613 0.031,614 -0.085,615 0.03,616 -0.223,617 -0.019,618 -0.041,619 -0.146,620 -0.145,621 -0.169,622 -0.042,623 -0.172,624 -0.076,625 -0.013,626 0.003,627 0.03,628 -0.054,629 0.029,630 0.101,631 0.059,632 0.023,633 0.041,634 0.123,635 0.027,636 0.17,637 -0.02,638 0.144,639 -0.02,640 0.129,641 0.042,642 1.726,643 5.187,644 0.724,645 26.514,646 1.005,647 1.132,648 3.021,649 9.124,650 0.676,651 3.497,652 3.829,653 4.111,654 4.357,655 4.533,656 4.575,657 4.7,658 4.796,659 4.796,660 4.92,661 6.91,662 0.651,663 387.49,664 3.497,665 5.043,666 5.9,667 6.779,668 7.649,669 8.531,670 9.406,671 10.289,672 11.166,673 12.051,674 14,681 1,682 3,684 3,689 2,690 10,691 3,692 1,695 5,697 22,705 1,709 1,711 1,716 50,718 23,719 2,720 32,722 53,723 21,724 17,725 5,726 7,727 1,728 4,729 5,740 18,741 3,744 1,749 1,753 1,757 1,760 21,761 7,762 2,763 8,769 7,775 0.75,776 1,785 1,788 1,793 1,794 3,797 1,819 3,823 3,827 29,834 1,838 2,850 2,853 1,858 14.833,859 10,860 6.333,861 2.722,863 4.326,864 1.561,865 1.007,866 5.255,867 12.042,868 3.807,869 4.434,870 5.054,871 5.642,872 6.141,873 6.386,874 6.796,875 7.183,876 7.38,877 7.793,878 1,879 46,880 10.638,881 4.447,882 7.718,883 20.178,884 16.111,885 2.218,886 64.333,888 1,889 1,890 223.651,891 141.442,892 91.156,894 25.145,897 141.442,898 248.796,899 91.156,900 25.189,901 3.124,902 75.81,903 103.626,904 67.165,905 6.371,906 200.109,908 223.651,909 232.598,910 25.145,913 223.651,914 25.145,917 60.916,918 121.448,919 50.234,921 223.651,922 116.301,923 141.442,926 223.651,927 22.348,928 125.343,929 34.674,930 75.379,931 223.651,932 116.301,933 141.442,935 0.585,936 0.349,937 0.185,938 0.094,939 22,940 10,941 0.094,942 5,943 1,944 1.095,945 4.043,946 256.141,947 0.095,948 21,949 138.881,954 19.062,955 7.995,956 3.969,957 1.974,958 99.638,959 18.583,960 13.051,961 2.98,964 3.508,966 34.674,967 481.394,968 44,973 12.187,977 -0.059,980 50.225,981 56.604,983 0.277,984 0.651,985 0.786,986 0.907,987 0.921,988 0.921,989 5.034,990 1.548,991 5.889,992 4.7,993 4.511,994 5.121,995 1.641,996 6.706,997 4.431,998 6.25,999 1.26,1000 7.455,1001 3.701,1002 4.111,1003 4.89,1004 0.57,1005 7.615,1006 3.983,1007 7.558,1008 1.177,1009 9.123,1010 2.847,1011 6.111,1012 7.35,1013 1.618,1014 10.725,1015 5.956,1016 8.904,1017 1,1018 10.849,1019 2.617,1020 6.538,1021 7.969,1022 0.801,1023 12.461,1024 6.342,1025 10.282,1026 0.911,1027 12.614,1028 2.304,1029 8.003,1030 9.878,1031 1.787,1032 15.086,1033 7.78,1034 11.683,1035 0.612,1036 14.404,1037 2.218,1038 8.8,1039 10.912,1040 1.074,1041 17.166,1042 8.544,1043 13.102,1044 0.367,1045 16.213,1046 1.395,1047 10.053,1048 12.581,1049 2.016,1050 19.625,1051 9.77,1052 3.169,1054 18.037,1055 0.911,1056 11.023,1057 13.831,1058 1.404,1059 21.861,1060 10.709,1061 2.945,1062 10.975,1063 19.871,1065 12.192,1066 15.391,1067 2.275,1068 24.262,1069 11.85,1070 2.769,1071 9.307,1072 21.714,1073 4.478,1074 13.242,1075 16.754,1076 1.768,1077 26.571,1078 12.871,1079 2.513,1080 8.739,1081 23.564,1082 3.849,1083 14.379,1084 18.267,1085 2.556,1086 28.954,1087 13.98,1088 2.216,1089 7.568,1090 25.421,1091 3.708,1092 15.468,1093 19.689,1094 2.15,1095 31.3,1096 15.039,1097 1.865,1098 6.434,1099 27.282,1100 3.116,1101 16.595,1102 21.183,1103 2.853,1104 33.68,1105 16.137,1106 1.687,1107 5.536,1108 29.149,1109 2.959,1110 17.704,1111 22.637,1112 2.538,1113 36.046,1114 17.215,1115 10576,1116 17499,1117 21.383,1118 33.824,1119 48.856,1120 49.161,1121 49.632,1122 48.183,1123 48.08,1124 65.263,1125 5.386,1126 138.506,1127 46.178,1128 5.372,1129 5.665,1130 6.305,1131 5.207,1132 5.169,1133 7.478,1134 2.293,1135 18.372,1136 5.054,1137 14.221,1138 1.527,1139 1.536,1140 1.551,1141 1.506,1142 1.502,1143 2.039,1144 0.168,1145 4.328,1146 1.443,1147 4.112,1148 4.155,1149 4.077,1150 3.998,1151 7.428,1152 4.012,1153 3.959,1154 3.995,1155 3.913,1156 3.867,1157 5.104,1158 3.872,1159 3.803,1160 3.855,1161 3.763,1162 3.633,1163 4.998,1164 3.659,1165 3.56,1166 3.637,1167 3.451,1168 3.317,1169 4.696,1170 3.339,1171 3.392,1172 3.476,1173 3.303,1174 3.173,1175 4.421,1176 3.193,1177 3.249,1178 3.33,1179 3.117,1180 3.053,1181 4.207,1182 3.058,1183 3.078,1184 3.146,1185 2.949,1186 2.89,1187 4.119,1188 2.896,1189 2.972,1190 3.022,1191 2.831,1192 2.806,1193 3.969,1194 2.801,1195 0.143,1196 0.115,1197 0.211,1198 0.129,1199 0.099,1200 4.563,1201 0.14,1202 3.665,1203 0.038,1204 6.75,1205 0.343,1206 4.13,1207 0.095,1208 3.169,1209 4.478,1210 1.2,1211 10.975,1212 3.054,1213 1.952,1214 1.924,1215 2.032,1216 2.07,1217 1.177,1218 2.058,1219 1.914,1220 1.888,1221 2.01,1222 2.017,1223 1.103,1224 2.016,1225 1.716,1226 1.668,1227 1.817,1228 1.896,1229 0.838,1230 1.877,1231 1.494,1232 1.415,1233 1.765,1234 1.759,1235 0.819,1236 1.766,1237 1.334,1238 1.252,1239 1.58,1240 1.65,1241 0.604,1242 1.612,1243 1.201,1244 1.106,1245 1.436,1246 1.491,1247 0.469,1248 1.504,1249 1.032,1250 0.972,1251 1.417,1252 1.268,1253 0.391,1254 1.308,1255 1.013,1256 0.949,1257 1.231,1258 1.239,1259 0.28,1260 1.265,1261 4.174,1263 5.501,1264 2.398,1265 7.022,1266 4.595,1267 8.629,1268 6.605,1269 10.279,1271 5.404,1278 3.179,1282 3.526,1289 32.552,1290 78.064,1291 183.689,1292 221.663,1293 255.928,1294 259.928,1295 259.928,1296 40.641,1297 7.716,1298 90.04,1299 90.04,1300 23,1301 12.585,1302 4.585,1303 3.7,1304 44.796,1305 122,1306 107,1307 0.179,1308 201.991,1309 335.57,1310 484.618,1311 25905,1313 20.38,1314 0.703,1315 0.566,1316 20.38,1317 16.418,1318 14.025,1319 0.438,1320 0.284,1321 8.943,1322 13.415,1323 8.637,1324 7.266,1325 14.025,1326 9.103,1327 12.733,1328 0.283,1329 0.151,1330 12.733,1331 6.811,1332 10.908,1333 0.182,1334 0.076,1335 10.908,1336 4.579,1337 8.884,1338 0.115,1339 0.04,1340 8.884,1341 3.082,1342 6.9,1343 0.075,1344 0.021,1345 6.9,1346 1.914,1347 0.284,1348 88.317,1349 0.216,1350 27.58,1351 0.486,1352 154,1353 448.627,1354 169.536,1355 442.051,1356 614.57,1357 414,1358 182,1359 467.552,1360 198.897,1361 477.861,1362 693.15,1363 446,1364 6.344}
{0 CHEMBL1270076,1 1.799,2 11.25,3 3.239,4 10.49,5 108.805,6 8.789,7 0.71,8 3.949,9 4.063,10 3.797,11 3.507,12 5.11,13 3.494,14 4.43,15 4.569,16 4.032,17 3.851,18 5.839,19 3.834,20 4.637,21 4.828,22 3.957,23 3.905,24 5.811,25 3.864,26 4.601,27 4.817,28 3.947,29 3.87,30 5.741,31 3.803,32 4.586,33 4.798,34 3.869,35 3.827,36 5.757,37 3.775,38 4.527,39 4.739,40 3.861,41 3.786,42 5.74,43 3.729,44 4.469,45 4.685,46 3.725,47 3.674,48 5.588,49 3.618,50 4.364,51 4.605,52 3.671,53 3.541,54 5.61,55 3.465,56 0.162,57 0.787,58 9.626,59 3.773,60 16.975,61 4.002,62 0.425,63 1.181,64 16.891,65 6.491,66 51.92,67 7.292,68 0.511,69 1.315,70 19.525,71 6.8,72 60.44,73 7.871,74 0.409,75 1.287,76 22.049,77 7.845,78 31.306,79 9.793,80 0.485,81 1.223,82 21.307,83 6.679,84 51.147,85 8.02,86 0.456,87 1.161,88 20.763,89 7.362,90 44.231,91 9.311,92 0.416,93 1.094,94 18.257,95 5.645,96 45.647,97 7.186,98 0.513,99 0.962,100 17.582,101 5.811,102 49.238,103 7.791,104 12,105 44,106 0.303,107 0.616,108 0.77,109 0.875,110 0.901,111 0.901,112 3.374,113 0.989,114 -3.16,115 -3.16,116 -3.03,118 40,123 1,138 8,139 1,140 3,141 2,143 1,146 1,148 1,163 1,167 4,170 2,171 3,173 5,175 9,178 6,182 1,186 4,188 2,192 12,195 2,196 3,197 5,199 2,204 5,211 1,214 1,215 8,218 5,220 5,223 3,228 1,233 2,235 1,239 5,240 1,243 2,244 2,245 3,247 5,260 4,264 1236,265 18.704,266 18.704,267 18.704,268 18.704,269 18.704,270 15.723,271 23.847,272 11.066,273 19.124,274 15.403,275 15.403,276 15.403,277 15.403,278 15.403,279 10.936,280 43.475,281 5.334,282 16.134,283 3.693,284 1.838,285 0.922,286 0.3,287 0.15,288 0.15,289 4.071,293 1,294 1,295 686,296 3.536,299 61.913,300 260.463,303 115.436,307 1.893,308 28.525,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 61.5,320 315,321 4.644,322 4.311,323 6.521,324 4.078,325 3.142,326 4.46,327 0.4,328 10.261,329 2.99,330 4.517,331 3.123,332 6.457,333 4.038,334 3.061,335 4.442,336 0.4,337 10.203,338 2.923,339 4.135,340 2.909,341 5.723,342 3.698,343 2.761,344 3.74,346 8.128,347 2.595,348 3.969,349 2.667,350 5.501,351 3.502,352 2.545,353 3.575,355 7.439,356 2.42,357 3.543,358 2.381,359 5.228,360 3.136,361 2.196,362 2.907,364 6.522,365 2.06,366 3.339,367 2.071,368 4.969,369 2.91,370 1.947,371 2.632,373 5.759,374 1.871,375 3.128,376 1.828,377 4.698,378 2.674,379 1.724,380 2.366,382 5.06,383 1.633,384 3.048,385 1.548,386 4.101,387 2.535,388 1.548,389 2.321,391 3.656,392 1.528,393 2.688,394 1.264,395 3.517,396 2.195,397 1.221,398 1.774,400 2.68,401 1.19,402 2.642,403 1.187,404 3.485,405 2.122,406 1.162,407 1.708,409 2.58,410 1.111,411 2.5,412 1,413 3.412,414 1.97,415 1,416 1.5,417 2.234,418 0.968,419 2.09,420 0.736,421 3.251,422 1.614,423 0.657,424 0.921,425 1.679,426 0.627,427 1.313,428 0.722,429 3.103,430 0.941,435 1.28,436 0.155,437 2.883,438 0.9,439 -0.044,440 -0.057,441 -0.115,442 -0.041,443 1.183,444 0.063,445 2.747,446 0.856,447 -0.102,448 -0.124,449 -0.3,450 -0.097,451 13.3,452 0.475,453 0.798,454 0.028,455 43.25,456 1.545,457 24.5,458 0.875,459 18.75,460 0.67,461 17.76,462 0.634,463 29.3,464 0.651,465 31.641,466 1.13,467 8.456,468 0.302,469 5.004,470 0.179,471 0.088,472 0.063,473 0.263,478 0.682,479 1.302,480 0.79,481 1.152,482 0.712,483 0.84,484 0.613,485 1.209,486 1.068,487 1.214,488 0.509,489 1.01,490 1.435,491 1.11,492 0.987,493 0.842,494 1.356,495 1.01,496 0.7,497 1.03,498 0.92,499 1.033,500 0.501,501 1.009,502 1.298,503 0.966,504 1.022,505 0.865,506 1.151,507 0.945,508 0.677,509 0.984,510 0.85,511 0.972,512 0.717,513 0.957,514 1.196,515 1.158,516 0.961,517 0.957,518 1.072,519 1.066,520 0.493,521 0.745,522 0.729,523 0.764,524 0.449,525 0.887,526 7,527 0.127,528 2,529 1.938,530 1.138,531 0.691,532 0.492,533 0.356,534 0.213,535 0.198,536 10616,537 34178,538 2.106,539 37.8,541 11,543 2,544 4,549 1.708,550 1.988,551 3.46,552 1.768,553 1,554 1,558 80.936,559 1.799,560 3.653,561 4.569,562 5.192,563 5.342,564 5.342,565 2.887,566 4.325,567 4.782,568 3.689,569 1394.55,570 8.299,571 18953.9,573 1,575 1,576 247.133,577 1.454,578 4.74,579 0.226,580 0.006,581 0.045,582 0.05,583 0.03,584 0.02,585 0.014,586 0.012,587 0.008,588 0.009,589 0.419,590 0.17,591 1,592 0.86,593 142.162,594 0.029,595 -0.098,596 0.188,597 -0.056,598 -0.191,599 0.047,600 0.285,601 -0.088,602 -0.129,603 -0.193,604 0.334,605 -0.115,606 -0.374,607 -0.104,608 -0.189,609 0.007,610 -0.298,611 -0.112,612 0.078,613 -0.033,614 0.028,615 -0.069,616 0.103,617 -0.02,618 -0.296,619 0.027,620 -0.121,621 0.041,622 -0.187,623 -0.004,624 0.189,625 -0.022,626 0.066,627 -0.026,628 0.1,629 0.037,630 -0.247,631 -0.176,632 -0.102,633 -0.088,634 -0.22,635 -0.126,636 0.412,637 0.214,638 0.2,639 0.129,640 0.291,641 0.098,642 4.265,643 4.391,644 0.75,645 26.163,646 1.019,647 1.131,648 1.934,649 3.739,650 0.698,651 3.466,652 3.807,653 3.989,654 4.29,655 4.443,656 4.5,657 4.585,658 4.762,659 4.71,660 4.852,661 7.026,662 0.676,663 395.49,664 3.466,665 5.017,666 5.844,667 6.73,668 7.569,669 8.456,670 9.301,671 10.187,672 11.035,673 11.921,674 15.6,679 1,682 3,684 3,689 2,690 10,691 3,692 1,695 5,697 22,709 2,716 45,718 24,719 2,720 31,722 48,723 18,724 17,725 5,726 7,728 4,729 5,740 17,741 1,744 2,747 1,749 2,757 1,760 17,761 8,762 4,763 10,764 1,769 7,775 0.75,776 2,785 1,788 1,793 1,794 3,797 1,819 3,821 1,823 1,827 28,831 1,834 3,850 4.4,853 2,858 14.083,859 8.183,860 5.931,861 2.319,863 4.436,864 1.578,865 1.04,866 4.963,867 12.114,868 3.807,869 4.48,870 4.967,871 5.601,872 6.081,873 6.333,874 6.7,875 7.184,876 7.307,877 7.737,878 1,879 39,880 10.419,881 4.601,882 7.914,883 19.263,884 15.733,885 2.414,886 67.583,889 1,890 153.024,891 124.117,892 119.324,894 44.313,896 5.807,897 118.31,898 197.337,899 119.324,900 7.19,902 81.617,903 134.494,904 81.623,905 6.371,906 129.482,908 153.024,909 237.633,910 44.313,911 5.807,913 153.024,914 44.313,917 72.678,918 98.316,919 72.447,921 153.024,922 163.637,923 124.117,925 5.807,926 153.024,927 17.214,928 101.095,929 69.09,930 94.547,931 153.024,932 163.637,933 124.117,935 0.586,936 0.309,937 0.176,938 0.091,939 22,940 9,941 0.125,942 6,943 1,944 1.095,945 4.05,946 239.433,947 0.095,948 21,949 130.606,953 1,954 18.38,955 7.56,956 4.661,957 1.878,958 146.974,959 17.79,960 12.721,961 2.927,964 2.962,966 69.09,967 440.778,968 44,971 -3.348,973 22.782,980 45.862,981 50.903,983 0.328,984 0.665,985 0.832,986 0.945,987 0.973,988 0.973,989 5.034,990 1.548,991 5.855,992 5.06,993 4.489,994 5.168,995 0.495,996 6.658,997 4.396,998 6.285,999 1.221,1000 7.404,1001 3.656,1002 4.205,1003 5.198,1005 7.687,1006 4.033,1007 7.629,1008 1.162,1009 9.055,1010 2.68,1011 6.125,1012 7.5,1013 0.097,1014 10.648,1015 5.934,1016 9.01,1017 1,1018 10.766,1019 2.58,1020 6.608,1021 8.316,1023 12.445,1024 6.337,1025 10.422,1026 0.657,1027 12.514,1028 2.234,1029 8.043,1030 10.131,1031 0.016,1032 14.974,1033 7.75,1034 11.855,1036 14.288,1037 1.679,1038 8.87,1039 11.3,1041 17.077,1042 8.505,1043 13.306,1044 -0.044,1045 16.08,1047 10.114,1048 12.924,1049 0.003,1050 19.467,1051 9.719,1052 3.142,1053 -0.102,1054 17.886,1055 -0.115,1056 11.099,1057 14.258,1059 21.696,1060 10.641,1061 3.061,1062 10.261,1063 19.702,1064 -0.3,1065 12.266,1066 15.801,1068 24.04,1069 11.771,1070 2.761,1071 10.203,1072 21.527,1073 4.46,1074 13.325,1075 17.214,1077 26.322,1078 12.774,1079 2.545,1080 8.128,1081 23.36,1082 4.442,1083 14.462,1084 18.723,1086 28.651,1087 13.87,1088 2.196,1089 7.439,1090 25.198,1091 3.74,1092 15.555,1093 20.174,1095 30.956,1096 14.911,1097 1.947,1098 6.522,1099 27.041,1100 3.575,1101 16.683,1102 21.67,1104 33.28,1105 15.994,1106 1.724,1107 5.759,1108 28.888,1109 2.907,1110 17.793,1111 23.141,1113 35.596,1114 17.055,1115 10037,1116 18174,1117 20.86,1118 31.404,1119 46.421,1120 47.343,1121 46.217,1122 46.028,1123 45.926,1124 64.691,1125 1.6,1126 132.401,1127 43.83,1128 5.451,1129 6.311,1130 6.086,1131 5.155,1132 5.142,1133 7.46,1134 0.8,1135 17.103,1136 4.99,1137 12.35,1138 1.497,1139 1.527,1140 1.491,1141 1.485,1142 1.481,1143 2.087,1144 0.052,1145 4.271,1146 1.414,1147 4.108,1148 4.151,1149 4.716,1150 4,1151 7.718,1152 4.007,1153 4.018,1154 4.023,1155 4.069,1156 3.961,1157 6.999,1158 3.893,1159 3.855,1160 3.88,1161 3.867,1162 3.763,1163 5.111,1164 3.694,1165 3.747,1166 3.759,1167 3.722,1168 3.615,1169 5.003,1170 3.623,1171 3.359,1172 3.435,1173 3.276,1174 3.162,1175 4.733,1176 3.178,1177 3.125,1178 3.202,1179 3.039,1180 2.926,1181 4.429,1182 2.946,1183 3.012,1184 3.087,1185 2.907,1186 2.842,1187 4.096,1188 2.849,1189 2.898,1190 2.986,1191 2.75,1192 2.745,1193 4.006,1194 2.735,1195 0.15,1196 0.139,1197 0.21,1198 0.132,1199 0.101,1200 4.644,1201 0.144,1202 4.311,1203 0.013,1204 6.521,1205 0.331,1206 4.078,1207 0.096,1208 3.142,1209 4.46,1210 0.4,1211 10.261,1212 2.99,1213 1.945,1214 1.919,1215 2.024,1216 2.063,1217 1.157,1218 2.06,1219 1.916,1220 1.898,1221 1.996,1222 2.018,1223 1.112,1224 2.029,1225 1.718,1226 1.705,1227 1.8,1228 1.897,1229 0.926,1230 1.899,1231 1.644,1232 1.641,1233 1.606,1234 1.773,1235 0.781,1236 1.82,1237 1.312,1238 1.232,1239 1.457,1240 1.639,1241 0.407,1242 1.591,1243 1.041,1244 0.978,1245 1.237,1246 1.293,1247 0.295,1248 1.284,1249 1.015,1250 0.953,1251 1.222,1252 1.187,1253 0.275,1254 1.208,1255 0.902,1256 0.829,1257 1.174,1258 1.154,1259 0.236,1260 1.177,1261 4.143,1263 5.476,1264 2.398,1265 6.982,1266 4.595,1267 8.567,1268 6.605,1269 10.193,1271 1.103,1278 8.768,1289 30.401,1290 80.936,1291 164.404,1292 205.624,1293 233.624,1294 240.379,1295 240.379,1296 43.5,1297 7.678,1298 124.69,1299 133.07,1300 23,1301 12.46,1302 4.644,1303 3.807,1304 42.574,1305 119,1306 98,1307 0.173,1308 191.269,1309 313.61,1310 458.455,1311 25351,1313 19.562,1314 0.699,1315 0.559,1316 19.812,1317 15.656,1318 13.46,1319 0.434,1320 0.33,1321 8.359,1322 12.148,1323 8.008,1324 6.678,1325 14.387,1326 10.224,1327 13.079,1328 0.297,1329 0.179,1330 14.462,1331 7.856,1332 9.46,1333 0.178,1334 0.084,1335 9.91,1336 4.432,1337 8.591,1338 0.119,1339 0.045,1340 9.117,1341 3.262,1342 6.482,1343 0.077,1344 0.024,1345 6.855,1346 2,1347 0.275,1348 94.044,1349 0.219,1350 26.99,1351 0.46,1352 150,1353 476.598,1354 197.44,1355 488.084,1356 665.37,1357 450,1358 172,1359 477.963,1360 226.126,1361 516.053,1362 737.12,1363 481,1364 5.075}
{0 CHEMBL1270182,1 1.771,2 11.241,3 3.445,4 11.867,5 113.701,6 8.532,7 0.688,8 4.004,9 4.119,10 3.826,11 3.552,12 5.145,13 3.534,14 4.5,15 4.655,16 4.07,17 3.901,18 5.862,19 3.882,20 4.693,21 4.878,22 4.036,23 3.992,24 5.849,25 3.951,26 4.716,27 4.924,28 4.053,29 4.019,30 5.831,31 3.949,32 4.771,33 4.984,34 4.001,35 4.014,36 5.897,37 3.942,38 4.759,39 5.003,40 3.915,41 3.926,42 5.891,43 3.845,44 4.587,45 4.826,46 3.776,47 3.764,48 5.643,49 3.692,50 4.436,51 4.666,52 3.732,53 3.65,54 5.664,55 3.568,56 0.149,57 0.827,58 10.71,59 4.088,60 16.811,61 4.603,62 0.46,63 1.25,64 19.425,65 6.855,66 54.472,67 8.066,68 0.47,69 1.405,70 20.945,71 7.328,72 56.732,73 8.885,74 0.41,75 1.457,76 24.081,77 8.719,78 30.681,79 11.071,80 0.455,81 1.461,82 25.564,83 8.625,84 50.573,85 11.09,86 0.599,87 1.407,88 27.855,89 8.708,90 57.786,91 11.6,92 0.438,93 1.189,94 22.677,95 6.721,96 49.86,97 9.173,98 0.498,99 1.043,100 18.327,101 6.332,102 48.193,103 8.537,104 19,105 46,106 0.295,107 0.624,108 0.777,109 0.867,110 0.891,111 0.891,112 3.408,113 0.995,114 -3.4,115 -3.38,116 -3.23,118 39.6,123 2,138 8,139 1,140 3,141 2,143 1,146 1,148 1,163 1,167 4,170 3,171 6,173 4,175 6,178 6,182 2,186 3,188 2,191 2,192 13,195 2,196 1,197 4,199 2,204 5,211 1,214 1,215 10,218 5,220 3,223 3,228 2,233 1,235 1,239 5,240 2,243 3,244 1,245 2,247 5,260 4,264 1319,265 19.256,266 19.256,267 19.256,268 19.256,269 19.256,270 16.325,271 24.039,272 11.271,273 19.718,274 15.854,275 15.854,276 15.854,277 15.854,278 15.854,279 11.417,280 41.796,281 5.388,282 16.646,283 3.814,284 1.838,285 0.922,286 0.381,287 0.24,288 0.24,289 4.102,293 1,294 1,295 707,296 3.808,299 64.285,300 271.873,303 120.177,307 1.836,308 27.725,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 63.5,320 326,321 4.644,322 4.311,323 6.75,324 4.13,325 3.169,326 4.478,327 0.8,328 10.975,329 3.054,330 4.563,331 3.324,332 6.457,333 4.078,334 3.141,335 4.442,336 0.4,337 10.203,338 2.923,339 4.17,340 2.915,341 6.075,342 3.733,343 2.794,344 3.769,346 8.75,347 2.621,348 4.012,349 2.766,350 5.651,351 3.584,352 2.623,353 3.601,355 7.861,356 2.513,357 3.667,358 2.483,359 5.345,360 3.25,361 2.317,362 3.035,364 6.86,365 2.156,366 3.339,367 2.1,368 5.069,369 2.917,370 1.955,371 2.634,373 5.88,374 1.876,375 3.146,376 1.835,377 4.764,378 2.691,379 1.738,380 2.391,382 5.18,383 1.651,384 3.048,385 1.548,386 4.207,387 2.535,388 1.548,389 2.321,391 3.702,392 1.528,393 2.709,394 1.319,395 3.746,396 2.222,397 1.258,398 1.8,400 2.846,401 1.212,402 2.648,403 1.207,404 3.502,405 2.153,406 1.172,407 1.717,409 2.608,410 1.147,411 2.5,412 1.004,413 3.467,414 1.97,415 1,416 1.5,417 2.304,418 0.968,419 2.277,420 1,421 3.394,422 1.842,423 0.911,424 1.205,425 2.218,426 0.846,427 1.775,428 0.736,429 3.104,430 1.326,431 0.367,432 0.509,433 0.911,434 0.351,435 1.298,436 0.429,437 3.045,438 0.94,443 1.184,444 0.153,445 2.861,446 0.856,447 -0.102,448 -0.124,449 -0.3,450 -0.097,451 13.8,452 0.476,453 0.87,454 0.03,455 44,456 1.517,457 24.5,458 0.845,459 19.5,460 0.672,461 19.765,462 0.682,463 30.6,464 0.638,465 33.436,466 1.153,467 8.62,468 0.297,469 5.268,470 0.182,471 0.121,472 0.06,473 0.283,478 0.655,479 1.394,480 0.79,481 1.207,482 0.703,483 0.898,484 0.676,485 1.121,486 1.031,487 1.095,488 0.505,489 0.905,490 1.4,491 1.139,492 0.955,493 0.854,494 1.322,495 0.994,496 0.726,497 1.026,498 0.946,499 1.035,500 0.515,501 1.039,502 1.088,503 1.125,504 0.971,505 1.007,506 0.986,507 1.074,508 0.825,509 0.885,510 0.924,511 0.884,512 0.715,513 0.954,514 1.089,515 1.05,516 0.858,517 0.858,518 0.972,519 0.94,520 0.488,521 0.817,522 0.775,523 0.851,524 0.458,525 0.978,526 7,527 0.176,528 2.667,529 2.313,530 1.368,531 0.896,532 0.573,533 0.387,534 0.259,535 0.214,536 11223,537 35323,538 2.082,539 39.6,541 14,543 2,544 3,549 1.718,550 1.944,551 3.467,552 0.994,554 1,558 85.005,559 1.771,560 3.747,561 4.663,562 5.204,563 5.345,564 5.345,565 2.892,566 4.487,567 4.832,568 3.681,569 1494.57,570 8.406,571 20536.8,573 1,575 1,576 268.078,577 1.548,578 4.781,579 0.219,580 0.007,581 0.058,582 0.054,583 0.032,584 0.022,585 0.015,586 0.012,587 0.009,588 0.009,589 0.438,590 0.33,591 1,592 0.897,593 148.166,594 0.062,595 -0.18,596 0.199,597 -0.1,598 -0.18,599 0.013,600 0.262,601 0.01,602 -0.068,603 -0.078,604 0.337,605 0.002,606 -0.344,607 -0.107,608 -0.168,609 0.004,610 -0.27,611 -0.098,612 0.035,613 0.004,614 -0.043,615 -0.082,616 0.058,617 -0.071,618 -0.183,619 -0.145,620 -0.102,621 -0.093,622 -0.12,623 -0.11,624 0.069,625 0.075,626 -0.002,627 0.02,628 0.046,629 0.026,630 -0.165,631 -0.1,632 0.028,633 0.025,634 -0.146,635 0.033,636 0.39,637 0.169,638 0.113,639 0.042,640 0.259,641 -0.014,642 4.269,643 4.43,644 0.724,645 27.084,646 1.016,647 1.132,648 2.166,649 4.691,650 0.691,651 3.497,652 3.85,653 4.06,654 4.357,655 4.522,656 4.575,657 4.682,658 4.812,659 4.779,660 4.913,661 6.983,662 0.665,663 409.52,664 3.497,665 5.056,666 5.894,667 6.788,668 7.641,669 8.535,670 9.394,671 10.288,672 11.152,673 12.045,674 14.6,679 1,682 3,684 3,689 2,690 10,691 3,692 1,695 5,697 22,709 1,711 1,716 48,718 24,719 2,720 32,722 51,723 19,724 17,725 5,726 7,728 4,729 5,740 17,741 2,744 2,747 1,749 2,757 1,760 19,761 8,762 3,763 10,764 1,769 7,775 0.75,776 2,785 1,788 1,793 1,794 3,797 1,819 3,821 1,823 2,827 29,831 1,834 2,838 1,850 4.2,853 2,858 14.917,859 9.133,860 6.153,861 2.494,863 4.403,864 1.571,865 1.026,866 5.198,867 12.119,868 3.829,869 4.503,870 5.008,871 5.642,872 6.131,873 6.39,874 6.777,875 7.221,876 7.364,877 7.791,878 1,879 43,880 10.795,881 4.741,882 7.882,883 20.044,884 16.349,885 2.382,886 69.083,889 1,890 188.338,891 132.513,892 104.437,894 44.313,896 5.807,897 126.706,898 232.651,899 104.437,900 15.587,902 81.617,903 134.494,904 66.736,905 6.371,906 164.795,908 188.338,909 231.143,910 44.313,911 5.807,913 188.338,914 44.313,917 57.792,918 106.712,919 72.447,921 188.338,922 148.75,923 132.513,925 5.807,926 188.338,927 17.214,928 112.616,929 51.079,930 94.547,931 188.338,932 148.75,933 132.513,935 0.589,936 0.32,937 0.181,938 0.094,939 23,940 10,941 0.118,942 6,943 1,944 1.095,945 4.052,946 255.362,947 0.095,948 21,949 136.881,953 1,954 19.335,955 7.796,956 4.541,957 1.93,958 132.087,959 18.05,960 12.935,961 2.961,964 3.167,966 51.079,967 469.601,968 45,971 -3.352,973 22.86,980 48.745,981 54.318,983 0.317,984 0.671,985 0.835,986 0.932,987 0.957,988 0.957,989 5.066,990 1.548,991 5.916,992 5.18,993 4.533,994 5.19,995 0.824,996 6.746,997 4.436,998 6.319,999 1.258,1000 7.487,1001 3.702,1002 4.29,1003 5.231,1004 0.325,1005 7.823,1006 4.108,1007 7.667,1008 1.172,1009 9.162,1010 2.846,1011 6.192,1012 7.522,1013 0.413,1014 10.82,1015 5.99,1016 9.054,1017 1,1018 10.897,1019 2.608,1020 6.723,1021 8.349,1022 0.268,1023 12.659,1024 6.433,1025 10.47,1026 0.911,1027 12.67,1028 2.304,1029 8.145,1030 10.157,1031 0.246,1032 15.233,1033 7.832,1034 11.908,1035 0.367,1036 14.469,1037 2.218,1038 9.009,1039 11.332,1040 0.188,1041 17.371,1042 8.62,1043 13.363,1045 16.285,1046 0.911,1047 10.251,1048 12.952,1049 0.157,1050 19.808,1051 9.829,1052 3.169,1053 -0.102,1054 18.114,1056 11.263,1057 14.29,1058 0.125,1059 22.073,1060 10.775,1061 3.141,1062 10.975,1063 19.954,1064 -0.3,1065 12.435,1066 15.831,1067 0.102,1068 24.465,1069 11.908,1070 2.794,1071 10.203,1072 21.802,1073 4.478,1074 13.515,1075 17.247,1076 0.082,1077 26.787,1078 12.929,1079 2.623,1080 8.75,1081 23.657,1082 4.442,1083 14.662,1084 18.756,1085 0.067,1086 29.164,1087 14.033,1088 2.317,1089 7.861,1090 25.517,1091 3.769,1092 15.773,1093 20.209,1094 0.054,1095 31.513,1096 15.091,1097 1.955,1098 6.86,1099 27.383,1100 3.601,1101 16.913,1102 21.706,1103 0.043,1104 33.888,1105 16.185,1106 1.738,1107 5.88,1108 29.252,1109 3.035,1110 18.04,1111 23.178,1112 0.035,1113 36.251,1114 17.261,1115 10671,1116 19104,1117 21.266,1118 33.165,1119 48.433,1120 49.269,1121 48.652,1122 48.084,1123 47.987,1124 66.807,1125 2.4,1126 140.596,1127 45.69,1128 5.452,1129 6.311,1130 6.305,1131 5.207,1132 5.169,1133 7.478,1134 1.2,1135 18.372,1136 5.054,1137 14.29,1138 1.514,1139 1.54,1140 1.52,1141 1.503,1142 1.5,1143 2.088,1144 0.075,1145 4.394,1146 1.428,1147 4.114,1148 4.156,1149 4.716,1150 4.005,1151 7.718,1152 4.012,1153 4.018,1154 4.023,1155 4.075,1156 3.961,1157 6.999,1158 3.893,1159 3.859,1160 3.886,1161 3.869,1162 3.763,1163 5.104,1164 3.697,1165 3.753,1166 3.763,1167 3.73,1168 3.624,1169 5,1170 3.629,1171 3.393,1172 3.477,1173 3.306,1174 3.173,1175 4.731,1176 3.193,1177 3.249,1178 3.33,1179 3.12,1180 3.053,1181 4.421,1182 3.059,1183 3.056,1184 3.136,1185 2.943,1186 2.873,1187 4.123,1188 2.881,1189 2.898,1190 2.986,1191 2.751,1192 2.745,1193 4.008,1194 2.735,1195 0.145,1196 0.135,1197 0.211,1198 0.129,1199 0.099,1200 4.644,1201 0.14,1202 4.311,1203 0.025,1204 6.75,1205 0.343,1206 4.13,1207 0.095,1208 3.169,1209 4.478,1210 0.8,1211 10.975,1212 3.054,1213 1.952,1214 1.925,1215 2.031,1216 2.071,1217 1.177,1218 2.064,1219 1.916,1220 1.898,1221 1.996,1222 2.02,1223 1.112,1224 2.034,1225 1.724,1226 1.707,1227 1.813,1228 1.9,1229 0.926,1230 1.901,1231 1.646,1232 1.646,1233 1.607,1234 1.775,1235 0.829,1236 1.824,1237 1.334,1238 1.252,1239 1.579,1240 1.65,1241 0.604,1242 1.612,1243 1.2,1244 1.106,1245 1.436,1246 1.491,1247 0.391,1248 1.504,1249 1.017,1250 0.953,1251 1.231,1252 1.258,1253 0.281,1254 1.262,1255 1.013,1256 0.943,1257 1.222,1258 1.187,1259 0.272,1260 1.208,1261 4.174,1263 5.517,1264 2.398,1265 7.038,1266 4.595,1267 8.639,1268 6.605,1269 10.283,1271 3.028,1278 5.554,1282 1.951,1289 31.927,1290 85.005,1291 179.839,1292 223.814,1293 249.814,1294 256.568,1295 256.568,1296 46.315,1297 7.716,1298 115.9,1299 124.28,1300 23,1301 12.577,1302 4.644,1303 3.807,1304 44.812,1305 123,1306 105,1307 0.178,1308 200.861,1309 330.91,1310 481.86,1311 26058,1313 20.433,1314 0.705,1315 0.573,1316 20.683,1317 16.604,1318 13.888,1319 0.434,1320 0.332,1321 8.74,1322 12.538,1323 8.326,1324 6.963,1325 14.815,1326 10.618,1327 13.501,1328 0.293,1329 0.179,1330 14.883,1331 8.234,1332 10.082,1333 0.177,1334 0.085,1335 10.532,1336 4.836,1337 8.983,1338 0.117,1339 0.046,1340 9.509,1341 3.523,1342 6.85,1343 0.075,1344 0.024,1345 7.223,1346 2.168,1347 0.282,1348 96.823,1349 0.217,1350 27.634,1351 0.479,1352 156,1353 487.911,1354 203.8,1355 498.408,1356 681.47,1357 460,1358 181,1359 491.878,1360 236.125,1361 530.863,1362 760.31,1363 494,1364 7.886}
{0 CHEMBL1270183,1 1.568,2 12.25,3 3.838,4 14.729,5 141.567,6 7.373,7 0.537,8 4.316,9 4.448,10 3.89,11 3.789,12 5.353,13 3.79,14 4.879,15 5.063,16 4.241,17 4.185,18 5.874,19 4.168,20 5.094,21 5.315,22 4.256,23 4.34,24 6.007,25 4.28,26 5.122,27 5.357,28 4.224,29 4.379,30 6.009,31 4.277,32 5.167,33 5.42,34 4.216,35 4.366,36 6.036,37 4.275,38 5.153,39 5.395,40 4.279,41 4.339,42 6.06,43 4.269,44 5.148,45 5.386,46 4.25,47 4.329,48 6.059,49 4.256,50 5.219,51 5.485,52 4.175,53 4.309,54 6.076,55 4.21,56 0.069,57 1.066,58 14.21,59 5.395,60 9.739,61 7.512,62 0.414,63 1.684,64 28.021,65 8.877,66 32.103,67 12.59,68 0.59,69 1.992,70 36.19,71 10.788,72 38.951,73 16.196,74 0.382,75 2.056,76 36.533,77 13.369,78 36.314,79 19.666,80 0.389,81 2.065,82 39.586,83 12.546,84 41.977,85 19.275,86 0.537,87 2.057,88 39.064,89 12.156,90 43.019,91 18.267,92 0.592,93 2.058,94 38.468,95 11.131,96 42.535,97 17.45,98 0.623,99 2.045,100 43.305,101 13.024,102 50.204,103 19.769,104 2,105 57,106 0.247,107 0.567,108 0.71,109 0.756,110 0.763,111 0.763,112 3.616,113 0.903,114 -3.5,115 -3.48,116 -3.32,118 39.4,119 1,124 8,138 7,139 1,140 4,141 1,142 1,143 1,146 1,148 1,163 1,167 2,170 1,171 8,173 3,175 7,178 7,181 2,182 2,186 2,188 1,191 1,192 9,195 4,196 2,197 6,199 4,204 5,211 2,214 5,215 7,218 1,220 5,223 4,227 2,228 3,231 2,233 1,239 1,240 4,243 4,244 1,245 3,247 5,251 4,260 2,264 2436,265 25.101,266 25.101,267 25.101,268 25.101,269 25.101,270 22.529,271 42.309,272 15.062,273 25.966,274 20.347,275 20.347,276 20.347,277 20.347,278 20.347,279 16.404,280 78.111,281 7.248,282 21.698,283 4.476,284 2.441,285 1.533,286 1.235,287 1.193,288 1.193,289 4.339,294 1,295 993,296 2.739,299 82.025,300 560.491,303 152.215,307 1.847,308 24.969,311 1,312 0.5,313 1,314 0.8,315 0.5,316 1,317 1,318 0.83,319 78,320 441,321 4.619,322 3.25,323 6.771,324 4.149,325 3.17,326 4.582,327 0.86,328 11.066,329 3.101,330 4.323,331 3.24,332 6.311,333 3.98,334 3.026,335 3.926,336 0.86,337 9.702,338 2.887,339 4.073,340 3.013,341 6.016,342 3.633,343 2.711,344 3.666,345 0.8,346 8.629,347 2.5,348 3.795,349 2.863,350 5.69,351 3.608,352 2.684,353 2.972,354 0.8,355 8.007,356 2.478,357 3.621,358 2.588,359 5.395,360 3.309,361 2.368,362 2.938,363 0.4,364 7.066,365 2.224,366 3.458,367 2.365,368 5.129,369 3.064,370 2.118,371 2.757,372 0.4,373 6.178,374 2.002,375 3.343,376 2.25,377 4.939,378 2.887,379 1.918,380 2.701,382 5.441,383 1.857,384 3.19,385 2.158,386 4.784,387 2.807,388 1.862,389 2.419,391 5.21,392 1.752,393 2.942,394 2.029,395 4.455,396 2.618,397 1.697,398 2.007,400 4.478,401 1.567,402 2.838,403 1.862,404 4.283,405 2.604,406 1.684,407 1.879,409 4.065,410 1.535,411 2.669,412 1.52,413 3.858,414 2.172,415 1.21,416 1.747,417 2.804,418 1.166,419 2.639,420 1.288,421 3.515,422 2.127,423 1.169,424 1.704,425 2.716,426 1.114,427 2.254,428 1.256,429 3.498,430 2.021,431 1.134,432 1.225,433 2.625,434 0.995,435 2.238,436 1.256,437 3.472,438 1.952,439 1,440 1.15,441 2.509,442 0.946,443 2.166,444 1.239,445 3.373,446 1.952,447 1,448 1.132,449 2.136,450 0.946,451 16.867,452 0.469,453 0.705,454 0.02,455 47.5,456 1.319,457 22,458 0.611,459 25.5,460 0.708,461 32.008,462 0.889,463 38.933,464 0.59,465 37.053,466 1.029,467 9.425,468 0.262,469 8.301,470 0.231,471 0.03,473 0.314,478 0.944,479 1.483,480 0.785,481 1.176,482 0.847,483 0.985,484 1.381,485 1.149,486 0.955,487 0.944,488 1.038,489 0.9,490 1.262,491 1.042,492 1.09,493 0.893,494 1.13,495 0.949,496 0.48,497 1.105,498 0.94,499 1.179,500 0.62,501 1.139,502 0.836,503 1.072,504 0.946,505 0.994,506 0.928,507 0.974,508 0.935,509 1.034,510 0.929,511 0.972,512 0.849,513 0.951,514 0.941,515 1.159,516 1.067,517 1.053,518 1.025,519 1.058,520 0.986,521 0.952,522 0.987,523 0.985,524 1.124,525 0.983,526 6,527 0.139,528 2.889,529 2.347,530 1.231,531 1.177,532 0.657,533 0.37,534 0.225,535 0.212,536 21430,537 51177,538 2.221,539 45.5,541 23,543 1,544 3,545 3,549 1.777,550 2.16,551 3.578,552 0.828,558 103.512,559 1.568,560 3.603,561 4.512,562 4.809,563 4.851,564 4.851,565 2.908,566 3.993,567 5.145,568 3.81,569 2400.05,570 9.056,571 38741,576 398.93,577 1.056,578 5.134,579 0.146,580 0.004,581 0.051,582 0.041,583 0.023,584 0.022,585 0.012,586 0.007,587 0.005,588 0.005,589 0.315,590 0.33,591 0.75,592 0.287,593 196.331,594 -0.018,595 -0.236,596 0.083,597 -0.106,598 0.005,599 -0.012,600 -0.123,601 -0.025,602 0.004,603 0.046,604 0.029,605 0.038,606 -0.182,607 0.035,608 -0.121,609 0.077,610 -0.156,611 0.001,612 0.145,613 -0.063,614 -0.016,615 -0.145,616 0.133,617 -0.119,618 -0.072,619 -0.058,620 0.014,621 -0.003,622 -0.063,623 0.022,624 0.02,625 -0.006,626 0.047,627 -0.001,628 0.081,629 0.02,630 0.007,631 -0.094,632 -0.097,633 -0.102,634 -0.046,635 -0.108,636 0.012,637 0.012,638 0.018,639 -0.03,640 -0.006,641 -0.01,642 1.136,643 2.068,644 0.917,645 38.796,646 1.003,647 1.136,648 2.274,649 5.171,650 0.657,651 3.738,652 4.06,653 4.357,654 4.663,655 4.89,656 4.956,657 5.136,658 5.298,659 5.394,660 5.505,661 7.793,662 0.627,663 486.64,664 3.738,665 5.283,666 6.142,667 7.024,668 7.895,669 8.783,670 9.66,671 10.55,672 11.43,673 12.322,674 12.1,680 2,682 3,684 3,689 2,690 8,691 3,692 1,695 7,697 22,709 2,711 2,716 66,718 22,719 2,720 41,722 71,723 26,724 17,725 6,726 6,728 6,729 7,732 1,740 17,741 9,760 30,761 9,762 3,763 10,769 8,775 0.833,776 2,785 1,788 1,793 1,794 5,797 1,818 2,819 5,823 1,827 36,833 8,834 2,835 2,838 2,850 3,854 2,858 16.667,859 12,860 7.806,861 3.983,863 4.382,864 1.508,865 1.028,866 6.811,867 13.004,868 3.97,869 4.567,870 5.164,871 5.782,872 6.286,873 6.569,874 6.978,875 7.404,876 7.644,877 8.008,878 0.875,879 57,880 13.288,881 5.644,882 7.514,883 25.98,884 21.606,885 2.014,886 72.5,890 317.82,891 133.727,892 109.167,894 22,897 133.727,898 339.82,899 109.167,900 8.825,901 26.792,902 66.334,903 84.005,904 83.725,905 6.984,906 306.049,908 317.82,909 242.894,910 22,913 317.82,915 22,917 101.393,918 91.267,919 50.234,921 317.82,922 131.167,923 133.727,926 317.82,927 49.52,928 90.455,929 52.685,930 72.234,931 317.82,932 131.167,933 133.727,935 0.577,936 0.338,937 0.195,938 0.106,939 29,940 11,941 0.085,942 6,943 1,944 1.061,945 4.744,946 359.441,947 0.061,948 33,949 162.117,954 23.341,955 10.506,956 5.241,957 1.972,958 114.504,959 16.204,960 13.574,961 3.053,964 6.484,966 52.685,967 582.713,968 52,980 66.189,981 74.972,983 0.259,984 0.596,985 0.746,986 0.796,987 0.803,988 0.803,989 5.212,990 1.862,991 6.107,992 5.441,993 4.745,994 5.255,995 1.875,996 6.907,997 4.629,998 6.394,999 1.697,1000 7.647,1001 5.21,1002 4.205,1003 4.997,1004 0.57,1005 7.745,1006 4.05,1007 7.69,1008 1.684,1009 9.288,1010 4.478,1011 6.319,1012 7.447,1013 1.438,1014 10.877,1015 6.106,1016 9.022,1017 1.21,1018 10.99,1019 4.065,1020 6.635,1021 8.077,1022 0.479,1023 12.594,1024 6.395,1025 10.391,1026 1.169,1027 12.734,1028 2.804,1029 8.176,1030 9.976,1031 1.155,1032 15.214,1033 7.885,1034 11.786,1035 1.134,1036 14.507,1037 2.716,1038 8.906,1039 11.044,1040 0.346,1041 17.305,1042 8.597,1043 13.202,1044 1,1045 16.302,1046 2.625,1047 10.2,1048 12.712,1049 0.931,1050 19.752,1051 9.848,1052 3.17,1053 1,1054 18.113,1055 2.509,1056 11.136,1057 14.002,1058 0.237,1059 22.005,1060 10.768,1061 3.026,1062 11.066,1063 19.938,1064 2.136,1065 12.325,1066 15.57,1067 0.742,1068 24.398,1069 11.923,1070 2.711,1071 9.702,1072 21.774,1073 4.582,1074 13.36,1075 16.972,1076 0.158,1077 26.723,1078 12.941,1079 2.684,1080 8.629,1081 23.619,1082 3.926,1083 14.507,1084 18.5,1085 0.583,1086 29.103,1087 14.061,1088 2.368,1089 8.007,1090 25.471,1091 3.666,1092 15.59,1093 19.957,1094 0.104,1095 31.46,1096 15.127,1097 2.118,1098 7.066,1099 27.33,1100 2.972,1101 16.722,1102 21.471,1103 0.452,1104 33.841,1105 16.236,1106 1.918,1107 6.178,1108 29.195,1109 2.938,1110 17.83,1111 22.956,1112 0.068,1113 36.215,1114 17.326,1115 19389,1116 30144,1117 28.72,1118 43.33,1119 61.385,1120 61.77,1121 61.912,1122 61.205,1123 61.183,1124 77.69,1125 8.24,1126 173.674,1127 57.563,1128 5.619,1129 5.25,1130 6.573,1131 5.252,1132 5.17,1133 7.582,1134 1.72,1135 17.936,1136 5.101,1137 8.305,1138 1.497,1139 1.507,1140 1.51,1141 1.493,1142 1.492,1143 1.895,1144 0.201,1145 4.236,1146 1.404,1147 4.118,1148 4.161,1149 4.085,1150 4.008,1151 5.1,1152 4.021,1153 3.999,1154 4.041,1155 3.948,1156 3.885,1157 4.999,1158 3.895,1159 3.811,1160 3.87,1161 3.768,1162 3.628,1163 4.759,1164 3.655,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.621,1172 3.666,1173 3.506,1174 3.437,1175 4.553,1176 3.445,1177 3.448,1178 3.517,1179 3.344,1180 3.286,1181 4.42,1182 3.288,1183 3.137,1184 3.216,1185 3.053,1186 2.941,1187 4.1,1188 2.947,1189 3.111,1190 3.206,1191 2.926,1192 2.941,1193 3.996,1194 2.91,1195 0.113,1196 0.079,1197 0.165,1198 0.101,1199 0.077,1200 4.619,1201 0.112,1202 3.25,1203 0.021,1204 6.771,1205 0.27,1206 4.149,1207 0.076,1208 3.17,1209 4.582,1210 0.86,1211 11.066,1212 3.101,1213 1.949,1214 1.921,1215 2.045,1216 2.089,1217 1.27,1218 2.077,1219 1.932,1220 1.901,1221 2.02,1222 2.034,1223 1.19,1224 2.03,1225 1.717,1226 1.666,1227 1.905,1228 1.933,1229 1.174,1230 1.927,1231 1.683,1232 1.624,1233 1.833,1234 1.908,1235 0.993,1236 1.89,1237 1.573,1238 1.524,1239 1.765,1240 1.772,1241 0.825,1242 1.769,1243 1.497,1244 1.422,1245 1.72,1246 1.765,1247 0.825,1248 1.751,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.787,1254 1.429,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.756,1260 1.429,1261 4.419,1263 5.74,1264 2.398,1265 7.259,1266 4.727,1267 8.866,1268 6.823,1269 10.518,1271 2.015,1277 6.465,1278 6.867,1279 11.135,1282 4.733,1289 41.396,1290 103.512,1291 237.813,1292 297.769,1293 317.42,1294 320.175,1295 320.175,1296 43.421,1297 8.622,1298 103.46,1299 103.46,1300 35,1301 12.852,1302 4.524,1303 3.585,1304 48.921,1305 170,1306 138,1307 0.137,1308 248.884,1309 419.78,1310 599.037,1311 79317,1313 24.321,1314 0.676,1315 0.565,1316 24.321,1317 20.328,1318 17.725,1319 0.432,1320 0.301,1321 12.11,1322 16.84,1323 11.89,1324 9.745,1325 17.725,1326 12.341,1327 15.843,1328 0.278,1329 0.158,1330 15.843,1331 9.001,1332 13.593,1333 0.177,1334 0.086,1335 13.593,1336 6.591,1337 12.06,1338 0.115,1339 0.045,1340 12.06,1341 4.763,1342 9.852,1343 0.075,1344 0.024,1345 9.852,1346 3.198,1347 0.216,1348 112.09,1349 0.187,1350 32.92,1351 0.372,1352 196,1353 542.695,1354 218.132,1355 519.03,1356 730.65,1357 494,1358 232,1359 554.147,1360 254.939,1361 556.635,1362 819.06,1363 526,1364 6.29}
{0 CHEMBL1270279,1 1.684,2 12.25,3 4.151,4 17.233,5 141.532,6 8.048,7 0.537,8 4.282,9 4.406,10 3.924,11 3.768,12 5.341,13 3.774,14 4.841,15 5.013,16 4.297,17 4.167,18 5.876,19 4.155,20 5.063,21 5.277,22 4.335,23 4.325,24 6.014,25 4.264,26 5.056,27 5.279,28 4.3,29 4.343,30 5.989,31 4.247,32 5.123,33 5.369,34 4.267,35 4.337,36 6.023,37 4.248,38 5.076,39 5.301,40 4.33,41 4.298,42 6.042,43 4.24,44 5.101,45 5.328,46 4.299,47 4.306,48 6.039,49 4.236,50 5.178,51 5.438,52 4.237,53 4.277,54 6.076,55 4.186,56 0.111,57 1.018,58 12.072,59 5.089,60 8.841,61 6.663,62 0.513,63 1.606,64 25.676,65 8.485,66 32.544,67 11.218,68 0.709,69 1.874,70 36.226,71 10.885,72 41.69,73 15.212,74 0.453,75 1.902,76 34.044,77 12.788,78 35.427,79 18.088,80 0.523,81 1.922,82 41.346,83 12.626,84 44.394,85 18.266,86 0.644,87 1.915,88 36.306,89 11.276,90 43.409,91 15.952,92 0.656,93 1.946,94 36.561,95 11.073,96 41.198,97 16.171,98 0.807,99 1.937,100 43.814,101 12.756,102 58.489,103 18.523,104 2,105 57,106 0.267,107 0.585,108 0.705,109 0.755,110 0.762,111 0.762,112 3.616,113 0.908,114 -3.5,115 -3.48,116 -3.32,118 39.7,124 8,138 7,139 1,140 4,141 1,142 1,143 1,146 1,149 1,163 1,167 2,170 1,171 8,173 3,175 7,178 7,181 2,182 2,186 2,188 1,191 1,192 9,195 4,196 2,197 6,199 4,204 5,211 2,214 5,215 7,218 1,220 5,223 4,227 2,228 3,231 2,233 1,239 1,240 4,243 4,244 1,245 3,247 5,251 4,260 2,264 2436,265 25.101,266 25.101,267 25.101,268 25.101,269 25.101,270 22.529,271 41.485,272 15.062,273 26.079,274 20.347,275 20.347,276 20.347,277 20.347,278 20.347,279 16.404,280 76.63,281 7.248,282 21.938,283 4.293,284 2.292,285 1.53,286 1.218,287 1.175,288 1.175,289 4.339,291 1,294 1,295 993,296 2.739,299 82.025,300 560.491,303 152.215,307 1.847,308 28.018,311 0.75,312 0.5,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.73,319 78.333,320 441,321 4.619,322 3.343,323 6.771,324 4.127,325 3.17,326 4.582,327 0.86,328 11.066,329 3.028,330 4.323,331 3.243,332 6.311,333 3.98,334 3.026,335 3.926,336 0.86,337 9.702,338 2.887,339 4.073,340 3.013,341 6.016,342 3.631,343 2.711,344 3.666,345 0.8,346 8.629,347 2.495,348 3.795,349 2.877,350 5.69,351 3.608,352 2.684,353 2.972,354 0.8,355 8.007,356 2.478,357 3.621,358 2.628,359 5.395,360 3.306,361 2.368,362 2.938,363 0.4,364 7.066,365 2.217,366 3.458,367 2.415,368 5.129,369 3.054,370 2.118,371 2.757,372 0.4,373 6.178,374 1.982,375 3.343,376 2.288,377 4.939,378 2.818,379 1.918,380 2.701,382 5.441,383 1.753,384 3.19,385 2.25,386 4.784,387 2.799,388 1.862,389 2.419,391 5.21,392 1.664,393 2.942,394 2.095,395 4.455,396 2.618,397 1.697,398 2.007,400 4.478,401 1.567,402 2.838,403 1.862,404 4.283,405 2.604,406 1.684,407 1.879,409 4.065,410 1.535,411 2.669,412 1.52,413 3.858,414 2.149,415 1.21,416 1.747,417 2.804,418 1.126,419 2.639,420 1.293,421 3.515,422 2.113,423 1.169,424 1.704,425 2.716,426 1.073,427 2.254,428 1.288,429 3.498,430 2.021,431 1.134,432 1.225,433 2.625,434 0.995,435 2.238,436 1.256,437 3.472,438 1.952,439 1,440 1.15,441 2.509,442 0.946,443 2.166,444 1.256,445 3.373,446 1.952,447 1,448 1.132,449 2.136,450 0.946,451 17.081,452 0.474,453 0.705,454 0.02,455 47.75,456 1.326,457 22,458 0.611,459 25.75,460 0.715,461 31.893,462 0.886,463 38.719,464 0.615,465 37.168,466 1.032,467 9.456,468 0.263,469 8.27,470 0.23,471 0.042,473 0.31,478 0.898,479 1.479,480 0.645,481 1.085,482 0.751,483 0.927,484 1.273,485 1.144,486 0.81,487 0.909,488 0.932,489 0.889,490 1.159,491 1.024,492 0.973,493 0.866,494 1.022,495 0.925,496 0.434,497 1.108,498 0.782,499 1.139,500 0.517,501 1.119,502 0.852,503 1.041,504 0.946,505 0.959,506 0.92,507 0.936,508 0.933,509 1.042,510 0.858,511 0.961,512 0.804,513 0.958,514 0.889,515 1.182,516 0.933,517 1.035,518 0.895,519 1.058,520 0.912,521 0.899,522 0.856,523 0.944,524 0.988,525 0.96,526 6,527 0.139,528 2.889,529 2.347,530 1.231,531 1.177,532 0.657,533 0.37,534 0.225,535 0.212,536 21430,537 57411,538 2.221,539 42.9,541 23,543 1,544 3,549 1.777,550 2.16,551 3.578,552 0.856,558 106.09,559 1.684,560 3.685,561 4.447,562 4.759,563 4.803,564 4.803,565 2.908,566 3.993,567 5.145,568 3.81,569 2400.05,570 9.056,571 38741,576 376.569,577 1.056,578 5.134,579 0.146,580 0.004,581 0.051,582 0.041,583 0.023,584 0.022,585 0.012,586 0.007,587 0.005,588 0.005,589 0.315,590 0.33,591 0.75,592 0.287,593 196.331,594 -0.047,595 -0.242,596 0.048,597 -0.099,598 -0.008,599 -0.012,600 -0.118,601 -0.017,602 -0.007,603 0.033,604 0.015,605 0.013,606 -0.143,607 0.03,608 -0.059,609 0.092,610 -0.096,611 0.021,612 0.187,613 -0.074,614 0.055,615 -0.131,616 0.189,617 -0.105,618 -0.074,619 -0.053,620 0.019,621 0.03,622 -0.045,623 0.07,624 0.001,625 0.006,626 0.011,627 -0.017,628 0.072,629 -0.008,630 -0.004,631 -0.123,632 -0.072,633 -0.102,634 -0.022,635 -0.113,636 0.045,637 0.06,638 0.051,639 -0.003,640 0.04,641 0.018,642 1.184,643 2.202,644 0.917,645 38.796,646 1.01,647 1.135,648 2.274,649 5.171,650 0.673,651 3.738,652 4.06,653 4.357,654 4.663,655 4.89,656 4.956,657 5.136,658 5.298,659 5.394,660 5.505,661 7.793,662 0.646,663 507.05,664 3.738,665 5.283,666 6.142,667 7.024,668 7.895,669 8.783,670 9.66,671 10.55,672 11.43,673 12.322,674 12.7,680 2,682 3,684 3,689 2,690 8,691 3,692 1,695 7,697 22,709 2,711 2,715 1,716 63,718 22,719 2,720 41,722 68,723 25,724 17,725 6,726 6,728 6,729 7,730 1,740 17,741 8,760 27,761 9,762 3,763 11,764 1,769 8,775 0.833,776 2,785 1,788 1,793 1,794 5,797 1,818 2,819 5,824 1,827 36,833 8,834 2,835 2,838 2,849 1,850 3.2,854 2,858 16.667,859 11.143,860 7.806,861 3.769,863 4.382,864 1.508,865 1.031,866 7.006,867 13.004,868 3.97,869 4.567,870 5.164,871 5.782,872 6.286,873 6.569,874 6.978,875 7.404,876 7.644,877 8.008,878 0.875,879 57,880 13.273,881 5.671,882 7.573,883 25.766,884 21.441,885 2.073,886 74.611,890 282.506,891 125.216,892 109.167,893 39.149,894 22,897 125.216,898 343.655,899 109.167,901 26.792,902 66.334,903 84.005,904 86.796,905 43.376,906 270.735,908 282.506,909 234.384,910 22,911 39.149,913 282.506,915 22,917 95.639,918 88.51,919 50.234,920 39.149,921 282.506,922 131.167,923 164.365,926 282.506,927 49.835,928 81.63,929 52.685,930 111.382,931 282.506,932 131.167,933 164.365,935 0.577,936 0.338,937 0.195,938 0.106,939 29,940 11,941 0.088,942 6,943 1,944 1.061,945 4.744,946 359.441,947 0.061,948 33,949 162.117,954 23.609,955 10.683,956 5.347,957 1.605,958 114.504,959 15.853,960 13.373,961 2.818,964 5.682,966 52.685,967 578.038,968 52,980 63.629,981 71.501,983 0.282,984 0.617,985 0.744,986 0.796,987 0.803,988 0.803,989 5.212,990 1.862,991 6.107,992 5.441,993 4.745,994 5.255,995 1.875,996 6.907,997 4.607,998 6.394,999 1.697,1000 7.647,1001 5.21,1002 4.205,1003 4.997,1004 0.57,1005 7.745,1006 3.992,1007 7.69,1008 1.684,1009 9.288,1010 4.478,1011 6.319,1012 7.447,1013 1.438,1014 10.877,1015 6.068,1016 9.022,1017 1.21,1018 10.99,1019 4.065,1020 6.635,1021 8.077,1022 0.479,1023 12.594,1024 6.324,1025 10.391,1026 1.169,1027 12.734,1028 2.804,1029 8.176,1030 9.976,1031 1.155,1032 15.214,1033 7.824,1034 11.786,1035 1.134,1036 14.507,1037 2.716,1038 8.906,1039 11.044,1040 0.346,1041 17.305,1042 8.505,1043 13.202,1044 1,1045 16.302,1046 2.625,1047 10.2,1048 12.712,1049 0.931,1050 19.752,1051 9.757,1052 3.17,1053 1,1054 18.113,1055 2.509,1056 11.136,1057 14.002,1058 0.237,1059 22.005,1060 10.648,1061 3.026,1062 11.066,1063 19.938,1064 2.136,1065 12.325,1066 15.57,1067 0.742,1068 24.398,1069 11.794,1070 2.711,1071 9.702,1072 21.774,1073 4.582,1074 13.36,1075 16.972,1076 0.158,1077 26.723,1078 12.786,1079 2.684,1080 8.629,1081 23.619,1082 3.926,1083 14.507,1084 18.5,1085 0.583,1086 29.103,1087 13.891,1088 2.368,1089 8.007,1090 25.471,1091 3.666,1092 15.59,1093 19.957,1094 0.104,1095 31.46,1096 14.932,1097 2.118,1098 7.066,1099 27.33,1100 2.972,1101 16.722,1102 21.471,1103 0.452,1104 33.841,1105 16.022,1106 1.918,1107 6.178,1108 29.195,1109 2.938,1110 17.83,1111 22.956,1112 0.068,1113 36.215,1114 17.087,1115 19389,1116 31986,1117 28.72,1118 42.426,1119 61.385,1120 62.178,1121 61.912,1122 61.368,1123 61.183,1124 77.69,1125 8.24,1126 173.674,1127 56.734,1128 5.619,1129 5.343,1130 6.573,1131 5.23,1132 5.17,1133 7.582,1134 1.72,1135 17.936,1136 5.028,1137 8.305,1138 1.497,1139 1.517,1140 1.51,1141 1.497,1142 1.492,1143 1.895,1144 0.201,1145 4.236,1146 1.384,1147 4.108,1148 4.147,1149 4.162,1150 4,1151 5.177,1152 4.012,1153 3.998,1154 4.04,1155 3.952,1156 3.885,1157 5.014,1158 3.895,1159 3.81,1160 3.868,1161 3.777,1162 3.627,1163 4.759,1164 3.655,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.621,1172 3.666,1173 3.536,1174 3.437,1175 4.56,1176 3.445,1177 3.395,1178 3.463,1179 3.497,1180 3.216,1181 4.535,1182 3.225,1183 3.126,1184 3.206,1185 3.101,1186 2.941,1187 4.312,1188 2.94,1189 3.111,1190 3.206,1191 2.983,1192 2.941,1193 4.058,1194 2.91,1195 0.113,1196 0.082,1197 0.165,1198 0.101,1199 0.077,1200 4.619,1201 0.112,1202 3.343,1203 0.021,1204 6.771,1205 0.27,1206 4.127,1207 0.074,1208 3.17,1209 4.582,1210 0.86,1211 11.066,1212 3.028,1213 1.945,1214 1.914,1215 2.044,1216 2.088,1217 1.27,1218 2.077,1219 1.925,1220 1.899,1221 2,1222 2.027,1223 1.19,1224 2.02,1225 1.716,1226 1.666,1227 1.905,1228 1.933,1229 1.143,1230 1.927,1231 1.683,1232 1.624,1233 1.831,1234 1.904,1235 0.993,1236 1.887,1237 1.573,1238 1.524,1239 1.764,1240 1.766,1241 0.825,1242 1.769,1243 1.343,1244 1.278,1245 1.513,1246 1.664,1247 0.825,1248 1.612,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.778,1254 1.429,1255 1.153,1256 1.064,1257 1.415,1258 1.376,1259 0.429,1260 1.429,1261 4.419,1263 5.74,1264 2.398,1265 7.259,1266 4.727,1267 8.866,1268 6.823,1269 10.518,1272 6.314,1277 6.384,1278 6.756,1279 11.119,1282 4.708,1289 40.696,1290 106.09,1291 232.162,1292 280.162,1293 299.814,1294 302.569,1295 302.569,1296 45.227,1297 8.622,1298 103.46,1299 103.46,1300 35,1301 12.852,1302 4.524,1303 3.585,1304 48.921,1305 170,1306 138,1307 0.137,1308 247.624,1309 417.69,1310 595.963,1311 79317,1312 1.6,1313 24.321,1314 0.676,1315 0.568,1316 24.821,1317 20.462,1318 17.725,1319 0.432,1320 0.303,1321 11.829,1322 16.57,1323 11.644,1324 9.498,1325 18.014,1326 12.408,1327 15.843,1328 0.278,1329 0.159,1330 16.213,1331 9.068,1332 13.593,1333 0.177,1334 0.086,1335 13.93,1336 6.639,1337 12.06,1338 0.115,1339 0.046,1340 12.415,1341 4.805,1342 9.852,1343 0.075,1344 0.024,1345 10.142,1346 3.225,1347 0.216,1348 115.265,1349 0.187,1350 32.92,1351 0.372,1352 196,1353 568.899,1354 234.301,1355 572.61,1356 789.69,1357 542,1358 232,1359 571.009,1360 266.974,1361 582.235,1362 858.96,1363 550,1364 6.644}
{0 CHEMBL1270280,1 1.599,2 12.167,3 3.689,4 13.607,5 140.342,6 7.502,7 0.537,8 4.308,9 4.44,10 3.898,11 3.757,12 5.359,13 3.769,14 4.873,15 5.063,16 4.248,17 4.152,18 5.879,19 4.147,20 5.073,21 5.292,22 4.275,23 4.309,24 6,25 4.261,26 5.108,27 5.341,28 4.262,29 4.352,30 6.04,31 4.272,32 5.166,33 5.415,34 4.273,35 4.356,36 6.09,37 4.281,38 5.144,39 5.381,40 4.279,41 4.328,42 6.091,43 4.265,44 5.149,45 5.394,46 4.247,47 4.312,48 6.041,49 4.238,50 5.197,51 5.46,52 4.174,53 4.292,54 6.067,55 4.2,56 0.081,57 1.07,58 13.68,59 5.069,60 9.819,61 7.148,62 0.533,63 1.671,64 27.766,65 8.208,66 33.528,67 11.756,68 0.608,69 1.957,70 34.998,71 10.133,72 36.873,73 15.417,74 0.507,75 2.05,76 35.718,77 11.917,78 39.443,79 17.878,80 0.542,81 2.074,82 39.275,83 11.682,84 48.692,85 18.41,86 0.663,87 2.065,88 37.926,89 11.004,90 48.121,91 16.804,92 0.614,93 2.006,94 38.624,95 11.277,96 40.995,97 17.795,98 0.708,99 1.979,100 42.158,101 12.426,102 52.188,103 18.886,104 2,105 57,106 0.252,107 0.572,108 0.721,109 0.759,110 0.759,111 0.759,112 3.616,113 0.891,114 -4.2,115 -4.14,116 -3.91,118 38.5,123 1,124 8,138 6,139 1,140 2,141 2,143 3,146 1,148 1,163 1,167 2,170 4,171 10,173 2,175 4,178 4,181 2,182 2,186 1,188 1,191 3,192 11,195 5,197 2,199 2,203 2,204 3,211 1,214 7,215 6,218 1,220 3,223 3,227 2,228 3,231 2,233 1,239 4,240 4,243 2,244 1,245 1,247 4,251 4,260 2,264 2404,265 25.154,266 25.154,267 25.154,268 25.154,269 25.154,270 22.675,271 40.075,272 15.081,273 26.1,274 20.325,275 20.325,276 20.325,277 20.325,278 20.325,279 16.491,280 73.044,281 7.22,282 21.829,283 4.423,284 2.396,285 1.45,286 1.212,287 1.212,288 1.212,289 4.338,294 1,295 987,296 3,299 82.149,300 564.135,303 152.692,307 1.778,308 25.437,311 0.75,312 0.5,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.73,319 78.5,320 438,321 4.563,322 3.325,323 6.75,324 4.13,325 3.169,326 4.478,327 0.86,328 10.975,329 3.054,330 4.323,331 3.241,332 6.311,333 3.959,334 3.026,335 3.928,336 0.86,337 9.702,338 2.827,339 4.133,340 3.013,341 6.074,342 3.701,343 2.765,344 3.715,345 0.8,346 8.738,347 2.581,348 3.795,349 2.87,350 6.016,351 3.602,352 2.684,353 3.056,354 0.8,355 8.629,356 2.462,357 3.723,358 2.682,359 5.553,360 3.397,361 2.469,362 2.972,363 0.8,364 7.507,365 2.286,366 3.477,367 2.394,368 5.218,369 3.104,370 2.164,371 2.757,372 0.4,373 6.366,374 2.032,375 3.205,376 2.25,377 4.93,378 2.802,379 1.865,380 2.447,382 5.495,383 1.744,384 3.048,385 2.151,386 4.468,387 2.619,388 1.697,389 2.321,391 4.505,392 1.555,393 2.947,394 1.866,395 4.283,396 2.598,397 1.697,398 2.01,400 4.065,401 1.527,402 2.838,403 1.548,404 4.206,405 2.535,406 1.548,407 1.879,409 3.7,410 1.523,411 2.689,412 1.53,413 3.745,414 2.193,415 1.246,416 1.772,417 2.838,418 1.178,419 2.5,420 1.288,421 3.511,422 2.004,423 1.137,424 1.5,425 2.694,426 0.98,427 2.277,428 1.283,429 3.472,430 1.97,431 1,432 1.225,433 2.509,434 0.968,435 2.238,436 1.256,437 3.469,438 1.952,439 1,440 1.205,441 2.304,442 0.946,443 2.166,444 1.256,445 3.394,446 1.952,447 1,448 1.132,449 2.218,450 0.946,451 16.767,452 0.466,453 0.688,454 0.019,455 48.25,456 1.34,457 22,458 0.611,459 26.25,460 0.729,461 31.286,462 0.869,463 39.033,464 0.601,465 38.337,466 1.065,467 9.6,468 0.267,469 8.142,470 0.226,471 0.03,473 0.31,478 0.932,479 1.617,480 0.759,481 1.249,482 0.802,483 1.013,484 1.4,485 1.053,486 0.957,487 0.87,488 1.063,489 0.85,490 1.218,491 1.132,492 1.043,493 0.926,494 1.075,495 0.949,496 0.63,497 1.065,498 0.979,499 1.114,500 0.862,501 1.1,502 0.803,503 1.108,504 0.924,505 0.98,506 0.934,507 0.959,508 0.993,509 0.985,510 1.072,511 1.001,512 1.004,513 1.03,514 0.82,515 1.156,516 0.973,517 1.054,518 0.805,519 1.029,520 0.987,521 0.895,522 1.008,523 0.977,524 1.162,525 0.992,526 5.5,527 0.205,528 3.333,529 2.125,530 1.421,531 1.208,532 0.698,533 0.316,534 0.226,535 0.267,536 21110,537 52194,538 2.221,539 44.6,541 25,543 2,544 2,549 1.777,550 2.16,551 3.59,552 0.231,558 103.947,559 1.599,560 3.627,561 4.572,562 4.811,563 4.811,564 4.811,565 2.916,566 4.239,567 5.145,568 3.789,569 2387.2,570 9.06,571 38122.6,576 391.454,577 1.056,578 5.134,579 0.134,580 0.005,581 0.058,582 0.037,583 0.025,584 0.021,585 0.012,586 0.006,587 0.005,588 0.006,589 0.31,590 0.33,591 0.63,592 0.287,593 195.734,594 -0.019,595 -0.359,596 0.092,597 -0.175,598 0.029,599 -0.045,600 -0.127,601 0.076,602 0.002,603 0.1,605 0.069,606 -0.166,607 -0.06,608 -0.083,609 0.053,610 -0.12,611 0.005,612 0.081,613 0.009,614 -0.051,615 -0.106,616 -0.001,617 -0.106,618 -0.01,619 -0.085,620 0.036,621 0.004,622 0.003,623 0.03,624 -0.045,625 0.087,626 -0.108,627 -0.051,628 -0.05,629 -0.084,630 0.057,631 -0.134,632 -0.005,633 -0.079,634 0.074,635 -0.052,636 -0.001,637 0.067,638 -0.007,639 -0.015,640 -0.06,641 -0.013,642 1.147,643 2.045,644 0.917,645 37.889,646 1.006,647 1.139,648 2.97,649 8.822,650 0.655,651 3.738,652 4.06,653 4.369,654 4.663,655 4.898,656 4.963,657 5.153,658 5.288,659 5.389,660 5.509,661 7.652,662 0.629,663 487.63,664 3.738,665 5.283,666 6.146,667 7.027,668 7.904,669 8.79,670 9.672,671 10.561,672 11.445,673 12.335,674 13.8,680 2,682 3,684 4,689 2,690 8,691 4,692 1,695 6,697 22,709 1,711 3,716 65,718 22,719 1,720 41,722 70,723 25,724 16,725 3,726 3,728 6,729 7,740 16,741 9,760 29,761 10,762 2,763 11,769 9,775 0.833,776 2,785 1,787 1,788 1,793 1,794 5,797 1,818 2,819 5,823 1,827 36,833 8,834 1,835 2,838 3,850 3.1,854 2,858 16.667,859 11.9,860 7.833,861 3.879,863 4.315,864 1.505,865 1.021,866 6.768,867 12.867,868 3.97,869 4.557,870 5.16,871 5.768,872 6.276,873 6.562,874 6.98,875 7.379,876 7.613,877 8.007,878 0.875,879 58,880 13.28,881 5.634,882 7.537,883 25.857,884 21.382,885 2.037,886 73.333,890 317.82,891 129.255,892 111.066,894 22,897 129.255,898 339.82,899 111.066,900 8.396,901 26.792,902 56.857,903 112.562,904 70.228,905 11.027,906 294.278,908 317.82,909 240.321,910 22,913 317.82,915 22,917 84.584,918 88.717,919 67.02,921 317.82,922 133.066,923 129.255,926 317.82,927 45.906,928 92.722,929 34.674,930 89.019,931 317.82,932 133.066,933 129.255,935 0.576,936 0.343,937 0.196,938 0.106,939 29,940 11,941 0.086,942 6,943 1,944 1.061,945 4.715,946 362.001,947 0.061,948 33,949 162.117,954 23.28,955 10.466,956 5.078,957 2.016,958 116.403,959 15.678,960 18.451,961 3.024,964 5.043,966 34.674,967 580.14,968 52,980 65.407,981 74.056,983 0.266,984 0.602,985 0.759,986 0.799,987 0.799,988 0.799,989 5.212,990 1.697,991 6.111,992 5.495,993 4.745,994 5.244,995 1.968,996 6.919,997 4.613,998 6.389,999 1.697,1000 7.659,1001 4.505,1002 4.205,1003 4.945,1004 0.766,1005 7.779,1006 4.012,1007 7.682,1008 1.548,1009 9.308,1010 4.065,1011 6.326,1012 7.42,1013 1.531,1014 10.916,1015 6.074,1016 9.012,1017 1.246,1018 11.021,1019 3.7,1020 6.661,1021 8.017,1022 0.653,1023 12.633,1024 6.356,1025 10.379,1026 1.137,1027 12.775,1028 2.838,1029 8.196,1030 9.925,1031 1.235,1032 15.258,1033 7.835,1034 11.771,1035 1,1036 14.558,1037 2.694,1038 8.94,1039 10.955,1040 0.482,1041 17.328,1042 8.534,1043 13.184,1044 1,1045 16.36,1046 2.509,1047 10.228,1048 12.62,1049 0.995,1050 19.778,1051 9.772,1052 3.169,1053 1,1054 18.176,1055 2.304,1056 11.17,1057 13.871,1058 0.337,1059 22.003,1060 10.672,1061 3.026,1062 10.975,1063 20.004,1064 2.218,1065 12.355,1066 15.428,1067 0.792,1068 24.393,1069 11.81,1070 2.765,1071 9.702,1072 21.841,1073 4.478,1074 13.391,1075 16.792,1076 0.229,1077 26.693,1078 12.808,1079 2.684,1080 8.738,1081 23.685,1082 3.928,1083 14.534,1084 18.302,1085 0.621,1086 29.066,1087 13.909,1088 2.469,1089 8.629,1090 25.535,1091 3.715,1092 15.616,1093 19.724,1094 0.153,1095 31.403,1096 14.953,1097 2.164,1098 7.507,1099 27.391,1100 3.056,1101 16.746,1102 21.217,1103 0.48,1104 33.774,1105 16.044,1106 1.865,1107 6.366,1108 29.25,1109 2.972,1110 17.851,1111 22.669,1112 0.1,1113 36.131,1114 17.113,1115 19090,1116 30199,1117 28.72,1118 42.574,1119 61.784,1120 61.886,1121 62.101,1122 61.546,1123 61.49,1124 77.815,1125 9.04,1126 174.858,1127 57.396,1128 5.563,1129 5.325,1130 6.552,1131 5.234,1132 5.169,1133 7.478,1134 1.72,1135 18.372,1136 5.054,1137 7.808,1138 1.507,1139 1.509,1140 1.515,1141 1.501,1142 1.5,1143 1.898,1144 0.22,1145 4.265,1146 1.4,1147 4.114,1148 4.158,1149 4.078,1150 3.999,1151 5.106,1152 4.012,1153 3.98,1154 4.031,1155 3.934,1156 3.823,1157 5.007,1158 3.844,1159 3.815,1160 3.875,1161 3.772,1162 3.63,1163 4.852,1164 3.657,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.616,1172 3.664,1173 3.505,1174 3.431,1175 4.575,1176 3.44,1177 3.39,1178 3.473,1179 3.303,1180 3.172,1181 4.422,1182 3.192,1183 3.246,1184 3.328,1185 3.115,1186 3.047,1187 4.132,1188 3.053,1189 3.111,1190 3.206,1191 2.929,1192 2.941,1193 4.044,1194 2.91,1195 0.111,1196 0.081,1197 0.165,1198 0.101,1199 0.077,1200 4.563,1201 0.109,1202 3.325,1203 0.021,1204 6.75,1205 0.268,1206 4.13,1207 0.074,1208 3.169,1209 4.478,1210 0.86,1211 10.975,1212 3.054,1213 1.95,1214 1.923,1215 2.03,1216 2.085,1217 1.232,1218 2.066,1219 1.887,1220 1.844,1221 1.997,1222 2.047,1223 1.19,1224 2.038,1225 1.721,1226 1.67,1227 1.905,1228 1.933,1229 1.176,1230 1.927,1231 1.683,1232 1.624,1233 1.837,1234 1.917,1235 0.923,1236 1.897,1237 1.563,1238 1.515,1239 1.747,1240 1.765,1241 0.825,1242 1.761,1243 1.332,1244 1.251,1245 1.576,1246 1.648,1247 0.825,1248 1.609,1249 1.197,1250 1.102,1251 1.513,1252 1.489,1253 0.82,1254 1.502,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.601,1260 1.429,1261 4.419,1263 5.74,1264 2.398,1265 7.263,1266 4.595,1267 8.875,1268 6.605,1269 10.532,1271 1.993,1277 6.065,1278 3.419,1279 11.089,1282 6.556,1289 40.89,1290 103.947,1291 235.724,1292 297.189,1293 312.699,1294 312.699,1295 312.699,1296 43.489,1297 8.552,1298 107.56,1299 107.56,1300 35,1301 12.865,1302 4.524,1303 3.585,1304 48.886,1305 167,1306 138,1307 0.139,1308 246.086,1309 413.48,1310 592.209,1311 71902,1313 24.321,1314 0.676,1315 0.562,1316 24.321,1317 20.223,1318 17.742,1319 0.433,1320 0.297,1321 11.918,1322 16.76,1323 11.721,1324 9.601,1325 17.742,1326 12.179,1327 15.727,1328 0.276,1329 0.154,1330 15.727,1331 8.802,1332 13.8,1333 0.177,1334 0.084,1335 13.8,1336 6.532,1337 12.023,1338 0.115,1339 0.044,1340 12.023,1341 4.577,1342 9.842,1343 0.074,1344 0.023,1345 9.842,1346 3.046,1347 0.22,1348 112.859,1349 0.187,1350 32.833,1351 0.382,1352 196,1353 565.653,1354 220.324,1355 537.995,1356 756.14,1357 512,1358 233,1359 573.527,1360 258.936,1361 574.62,1362 847.01,1363 542,1364 8.301}
{0 CHEMBL1270378,1 1.627,2 12.167,3 3.582,4 12.828,5 139.11,6 7.635,7 0.537,8 4.3,9 4.432,10 3.903,11 3.731,12 5.365,13 3.752,14 4.864,15 5.057,16 4.256,17 4.122,18 5.897,19 4.126,20 5.053,21 5.271,22 4.28,23 4.269,24 5.997,25 4.233,26 5.084,27 5.319,28 4.271,29 4.301,30 6.056,31 4.237,32 5.124,33 5.37,34 4.28,35 4.299,36 6.088,37 4.242,38 5.101,39 5.338,40 4.283,41 4.269,42 6.086,43 4.226,44 5.107,45 5.348,46 4.251,47 4.26,48 6.041,49 4.204,50 5.159,51 5.418,52 4.175,53 4.252,54 6.054,55 4.174,56 0.105,57 1.069,58 13.159,59 4.758,60 9.538,61 6.786,62 0.631,63 1.647,64 27.231,65 7.874,66 36.464,67 11.244,68 0.649,69 1.908,70 33.958,71 9.378,72 36.595,73 14.551,74 0.637,75 1.989,76 34.667,77 10.782,78 44.233,79 16.398,80 0.632,81 1.99,82 37.266,83 10.287,84 50.127,85 16.697,86 0.735,87 1.981,88 35.86,89 9.48,90 48.802,91 14.9,92 0.721,93 1.922,94 36.626,95 9.861,96 44.315,97 15.994,98 0.745,99 1.898,100 40.131,101 11.291,102 52.982,103 17.451,104 2,105 57,106 0.257,107 0.577,108 0.729,109 0.784,110 0.814,111 0.838,112 3.616,113 0.882,114 -4.49,115 -4.42,116 -4.16,118 37.5,123 1,124 8,138 5,139 1,140 1,141 2,143 3,146 2,148 1,163 1,167 2,170 6,171 9,173 3,175 3,178 3,181 2,182 2,186 1,188 1,191 6,192 8,195 5,197 2,199 2,203 3,204 2,211 1,214 8,215 6,218 1,220 3,223 2,227 3,228 2,231 2,233 1,239 4,240 6,243 2,244 1,245 1,247 2,251 4,252 1,260 1,264 2404,265 25.154,266 25.154,267 25.154,268 25.154,269 25.154,270 22.675,271 40.075,272 15.081,273 26.16,274 20.325,275 20.325,276 20.325,277 20.325,278 20.325,279 16.491,280 73.044,281 7.22,282 21.939,283 4.373,284 2.355,285 1.392,286 1.043,287 0.856,288 0.699,289 4.338,294 1,295 987,296 3,299 82.149,300 564.135,303 152.692,307 1.778,308 27.69,311 0.75,312 0.5,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.73,319 79,320 438,321 4.563,322 3.325,323 6.75,324 4.13,325 3.169,326 4.478,327 0.86,328 10.975,329 3.054,330 4.323,331 3.241,332 6.311,333 3.944,334 3.026,335 3.928,336 0.86,337 9.702,338 2.779,339 4.133,340 3.013,341 6.074,342 3.701,343 2.765,344 3.715,345 0.8,346 8.738,347 2.58,348 3.795,349 2.87,350 6.016,351 3.596,352 2.684,353 3.056,354 0.8,355 8.629,356 2.445,357 3.723,358 2.682,359 5.553,360 3.389,361 2.469,362 2.972,363 0.8,364 7.507,365 2.268,366 3.477,367 2.394,368 5.218,369 3.094,370 2.164,371 2.757,372 0.4,373 6.366,374 2.013,375 3.205,376 2.25,377 4.93,378 2.801,379 1.865,380 2.447,382 5.495,383 1.741,384 3.048,385 2.151,386 4.468,387 2.611,388 1.697,389 2.321,391 4.505,392 1.543,393 2.947,394 1.866,395 4.283,396 2.587,397 1.697,398 2.01,400 4.065,401 1.527,402 2.838,403 1.548,404 4.206,405 2.535,406 1.548,407 1.879,409 3.7,410 1.504,411 2.689,412 1.53,413 3.745,414 2.192,415 1.246,416 1.772,417 2.838,418 1.176,419 2.5,420 1.288,421 3.511,422 2.002,423 1.137,424 1.5,425 2.694,426 0.978,427 2.277,428 1.283,429 3.472,430 1.97,431 1,432 1.225,433 2.509,434 0.968,435 2.238,436 1.256,437 3.469,438 1.952,439 1,440 1.205,441 2.304,442 0.946,443 2.166,444 1.256,445 3.394,446 1.952,447 1,448 1.132,449 2.218,450 0.946,451 16.667,452 0.463,453 0.688,454 0.019,455 48.75,456 1.354,457 22,458 0.611,459 26.75,460 0.743,461 30.892,462 0.858,463 39.133,464 0.611,465 38.731,466 1.076,467 9.676,468 0.269,469 8.067,470 0.224,471 0.03,473 0.312,478 0.939,479 1.687,480 0.742,481 1.286,482 0.797,483 1.02,484 1.327,485 0.976,486 0.938,487 0.85,488 1.013,489 0.838,490 1.207,491 1.197,492 1.016,493 0.945,494 1.069,495 0.945,496 0.672,497 0.994,498 0.983,499 1.064,500 0.928,501 1.069,502 0.823,503 1.165,504 0.921,505 0.983,506 0.967,507 0.955,508 1.038,509 0.984,510 1.085,511 0.968,512 1.078,513 1.006,514 0.872,515 1.161,516 0.995,517 1.028,518 0.881,519 1.017,520 0.993,521 0.919,522 1.023,523 0.992,524 1.163,525 1.005,526 5.5,527 0.205,528 3.333,529 2.125,530 1.421,531 1.208,532 0.698,533 0.316,534 0.226,535 0.267,536 21110,537 53502,538 2.221,539 43.8,541 24,543 2,544 2,549 1.777,550 2.16,551 3.59,552 0.259,558 104.136,559 1.627,560 3.645,561 4.608,562 4.957,563 5.144,564 5.301,565 2.916,566 4.239,567 5.145,568 3.789,569 2387.2,570 9.06,571 38122.6,576 384,577 1.056,578 5.134,579 0.134,580 0.005,581 0.058,582 0.037,583 0.025,584 0.021,585 0.012,586 0.006,587 0.005,588 0.006,589 0.31,590 0.17,591 0.63,592 0.287,593 195.734,594 -0.037,595 -0.417,596 0.092,597 -0.206,598 0.023,599 -0.058,600 -0.073,601 0.15,602 0.015,603 0.116,604 0.042,605 0.076,606 -0.167,607 -0.132,608 -0.06,609 0.036,610 -0.112,611 0.009,612 0.093,613 0.089,614 -0.051,615 -0.078,616 -0.005,617 -0.094,618 0.002,619 -0.132,620 0.039,621 -0.008,622 0.003,623 0.023,624 -0.075,625 0.104,626 -0.124,627 -0.042,628 -0.088,629 -0.082,630 0.044,631 -0.125,632 -0.028,633 -0.067,634 0.049,635 -0.055,636 -0.025,637 0.051,638 -0.026,639 -0.031,640 -0.077,641 -0.028,642 1.21,643 2.029,644 0.917,645 37.889,646 1.01,647 1.143,648 3.264,649 10.651,650 0.653,651 3.738,652 4.06,653 4.369,654 4.663,655 4.898,656 4.963,657 5.153,658 5.288,659 5.389,660 5.509,661 7.652,662 0.631,663 488.62,664 3.738,665 5.283,666 6.146,667 7.027,668 7.904,669 8.79,670 9.672,671 10.561,672 11.445,673 12.335,674 15.6,680 2,682 3,684 5,689 2,690 7,691 5,692 1,695 6,697 22,709 1,711 3,716 64,718 22,719 1,720 41,722 69,723 24,724 15,725 3,726 3,728 6,729 7,740 15,741 9,760 28,761 11,762 2,763 12,769 10,775 0.833,776 2,785 1,788 2,793 1,794 5,797 1,818 2,819 5,823 1,827 36,833 8,834 1,835 2,838 3,850 3.1,854 2,858 16.667,859 11.767,860 7.833,861 3.812,863 4.315,864 1.505,865 1.018,866 6.724,867 12.867,868 3.97,869 4.557,870 5.16,871 5.768,872 6.276,873 6.562,874 6.98,875 7.379,876 7.613,877 8.007,878 0.875,879 58,880 13.274,881 5.635,882 7.565,883 25.728,884 21.181,885 2.065,886 74.333,890 306.049,891 118.921,892 127.852,894 22,897 118.921,898 328.048,899 127.852,900 8.396,901 26.792,902 47.381,903 129.347,904 67.471,905 12.926,906 282.506,908 306.049,909 246.772,910 22,913 306.049,915 22,917 86.483,918 76.484,919 83.805,921 306.049,922 149.852,923 118.921,926 306.049,927 45.048,928 83.245,929 34.674,930 105.805,931 306.049,932 149.852,933 118.921,935 0.576,936 0.343,937 0.196,938 0.106,939 29,940 11,941 0.087,942 6,943 1,944 1.061,945 4.715,946 362.001,947 0.061,948 33,949 178.117,954 23.219,955 10.426,956 5.054,957 1.994,958 133.189,959 13.421,960 23.05,961 3.015,964 4.374,966 34.674,967 574.821,968 52,980 64.625,981 73.139,983 0.271,984 0.607,985 0.768,986 0.826,987 0.857,988 0.883,989 5.212,990 1.697,991 6.111,992 5.495,993 4.745,994 5.244,995 1.968,996 6.919,997 4.601,998 6.389,999 1.697,1000 7.659,1001 4.505,1002 4.205,1003 4.945,1004 0.766,1005 7.779,1006 3.994,1007 7.682,1008 1.548,1009 9.308,1010 4.065,1011 6.326,1012 7.42,1013 1.531,1014 10.916,1015 6.05,1016 9.012,1017 1.246,1018 11.021,1019 3.7,1020 6.661,1021 8.017,1022 0.653,1023 12.633,1024 6.327,1025 10.379,1026 1.137,1027 12.775,1028 2.838,1029 8.196,1030 9.925,1031 1.235,1032 15.258,1033 7.801,1034 11.771,1035 1,1036 14.558,1037 2.694,1038 8.94,1039 10.955,1040 0.482,1041 17.328,1042 8.497,1043 13.184,1044 1,1045 16.36,1046 2.509,1047 10.228,1048 12.62,1049 0.995,1050 19.778,1051 9.729,1052 3.169,1053 1,1054 18.176,1055 2.304,1056 11.17,1057 13.871,1058 0.337,1059 22.003,1060 10.628,1061 3.026,1062 10.975,1063 20.004,1064 2.218,1065 12.355,1066 15.428,1067 0.792,1068 24.393,1069 11.762,1070 2.765,1071 9.702,1072 21.841,1073 4.478,1074 13.391,1075 16.792,1076 0.229,1077 26.693,1078 12.758,1079 2.684,1080 8.738,1081 23.685,1082 3.928,1083 14.534,1084 18.302,1085 0.621,1086 29.066,1087 13.857,1088 2.469,1089 8.629,1090 25.535,1091 3.715,1092 15.616,1093 19.724,1094 0.153,1095 31.403,1096 14.901,1097 2.164,1098 7.507,1099 27.391,1100 3.056,1101 16.746,1102 21.217,1103 0.48,1104 33.774,1105 15.99,1106 1.865,1107 6.366,1108 29.25,1109 2.972,1110 17.851,1111 22.669,1112 0.1,1113 36.131,1114 17.059,1115 19090,1116 30585,1117 28.72,1118 41.819,1119 61.784,1120 61.886,1121 62.101,1122 61.566,1123 61.49,1124 77.815,1125 9.04,1126 174.858,1127 57.091,1128 5.563,1129 5.325,1130 6.552,1131 5.234,1132 5.169,1133 7.478,1134 1.72,1135 18.372,1136 5.054,1137 7.808,1138 1.507,1139 1.509,1140 1.515,1141 1.502,1142 1.5,1143 1.898,1144 0.22,1145 4.265,1146 1.392,1147 4.113,1148 4.157,1149 4.078,1150 3.998,1151 5.111,1152 4.011,1153 3.962,1154 4.02,1155 3.921,1156 3.763,1157 5.035,1158 3.795,1159 3.815,1160 3.874,1161 3.771,1162 3.626,1163 4.913,1164 3.654,1165 3.745,1166 3.803,1167 3.626,1168 3.519,1169 4.614,1170 3.535,1171 3.598,1172 3.651,1173 3.496,1174 3.394,1175 4.591,1176 3.41,1177 3.389,1178 3.472,1179 3.302,1180 3.172,1181 4.422,1182 3.191,1183 3.246,1184 3.328,1185 3.115,1186 3.047,1187 4.137,1188 3.052,1189 3.111,1190 3.206,1191 2.928,1192 2.941,1193 4.066,1194 2.91,1195 0.111,1196 0.081,1197 0.165,1198 0.101,1199 0.077,1200 4.563,1201 0.109,1202 3.325,1203 0.021,1204 6.75,1205 0.268,1206 4.13,1207 0.074,1208 3.169,1209 4.478,1210 0.86,1211 10.975,1212 3.054,1213 1.95,1214 1.923,1215 2.029,1216 2.08,1217 1.216,1218 2.058,1219 1.842,1220 1.789,1221 1.967,1222 2.045,1223 1.188,1224 2.029,1225 1.721,1226 1.67,1227 1.904,1228 1.933,1229 1.176,1230 1.926,1231 1.68,1232 1.621,1233 1.831,1234 1.917,1235 0.848,1236 1.896,1237 1.527,1238 1.476,1239 1.687,1240 1.752,1241 0.825,1242 1.736,1243 1.332,1244 1.251,1245 1.573,1246 1.647,1247 0.825,1248 1.608,1249 1.197,1250 1.101,1251 1.513,1252 1.488,1253 0.756,1254 1.502,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.598,1260 1.429,1261 4.419,1263 5.74,1264 2.398,1265 7.263,1266 4.595,1267 8.875,1268 6.605,1269 10.532,1271 1.978,1277 5.764,1278 3.307,1279 11.046,1282 6.384,1289 40.385,1290 104.136,1291 233.273,1292 294.881,1293 317.245,1294 329.245,1295 339.245,1296 43.52,1297 8.552,1298 120.45,1299 120.45,1300 35,1301 12.865,1302 4.524,1303 3.585,1304 48.886,1305 167,1306 138,1307 0.139,1308 243.288,1309 407.18,1310 585.382,1311 71902,1313 24.321,1314 0.676,1315 0.558,1316 24.321,1317 20.093,1318 17.742,1319 0.433,1320 0.294,1321 11.773,1322 16.703,1323 11.593,1324 9.493,1325 17.742,1326 12.049,1327 15.727,1328 0.276,1329 0.152,1330 15.727,1331 8.641,1332 13.8,1333 0.177,1334 0.082,1335 13.8,1336 6.377,1337 12.023,1338 0.115,1339 0.042,1340 12.023,1341 4.424,1342 9.842,1343 0.074,1344 0.022,1345 9.842,1346 2.913,1347 0.22,1348 113.267,1349 0.187,1350 32.833,1351 0.382,1352 196,1353 585.298,1354 222.544,1355 555.239,1356 779.54,1357 528,1358 233,1359 592.344,1360 261.101,1361 591.909,1362 873.97,1363 558,1364 7.62}
{0 CHEMBL1270379,1 1.627,2 12.167,3 3.582,4 12.828,5 139.11,6 7.635,7 0.537,8 4.3,9 4.432,10 3.903,11 3.731,12 5.365,13 3.752,14 4.864,15 5.057,16 4.256,17 4.122,18 5.898,19 4.126,20 5.053,21 5.272,22 4.278,23 4.272,24 5.995,25 4.236,26 5.081,27 5.311,28 4.272,29 4.316,30 6.053,31 4.245,32 5.14,33 5.388,34 4.282,35 4.308,36 6.084,37 4.244,38 5.125,39 5.373,40 4.287,41 4.243,42 6.107,43 4.209,44 5.075,45 5.313,46 4.252,47 4.224,48 6.047,49 4.182,50 5.128,51 5.382,52 4.173,53 4.233,54 6.038,55 4.162,56 0.105,57 1.069,58 13.159,59 4.758,60 9.538,61 6.786,62 0.631,63 1.647,64 27.231,65 7.874,66 36.964,67 11.244,68 0.657,69 1.907,70 33.989,71 9.402,72 36.765,73 14.551,74 0.634,75 1.993,76 34.252,77 11.352,78 43.661,79 16.871,80 0.543,81 2.006,82 37.906,83 10.924,84 46.005,85 17.612,86 0.808,87 1.982,88 37.715,89 8.867,90 52.569,91 14.517,92 0.799,93 1.885,94 35.37,95 8.716,96 48.497,97 14.493,98 0.7,99 1.873,100 38.382,101 10.59,102 50.914,103 16.508,104 2,105 57,106 0.257,107 0.577,108 0.714,109 0.759,110 0.759,111 0.759,112 3.616,113 0.882,114 -4.49,115 -4.42,116 -4.16,118 37.5,123 1,124 8,138 5,139 1,140 1,141 2,143 3,146 2,148 1,163 1,167 2,170 5,171 10,173 4,175 2,178 3,181 2,182 2,186 1,188 1,191 9,192 5,195 4,197 3,199 2,203 2,204 3,211 1,214 7,215 8,218 1,220 3,223 1,227 4,228 1,231 2,233 1,239 3,240 8,243 2,244 1,245 1,247 1,251 4,252 2,264 2404,265 25.154,266 25.154,267 25.154,268 25.154,269 25.154,270 22.675,271 40.075,272 15.081,273 26.164,274 20.325,275 20.325,276 20.325,277 20.325,278 20.325,279 16.491,280 73.044,281 7.22,282 21.944,283 4.373,284 2.355,285 1.486,286 1.199,287 1.199,288 1.199,289 4.338,294 1,295 987,296 3,299 82.149,300 564.135,303 152.692,307 1.778,308 27.552,311 0.75,312 0.5,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.73,319 79,320 438,321 4.563,322 3.325,323 6.75,324 4.13,325 3.169,326 4.478,327 0.86,328 10.975,329 3.054,330 4.323,331 3.241,332 6.311,333 3.949,334 3.026,335 3.928,336 0.86,337 9.702,338 2.792,339 4.133,340 3.013,341 6.074,342 3.701,343 2.765,344 3.715,345 0.8,346 8.738,347 2.582,348 3.795,349 2.87,350 6.016,351 3.597,352 2.684,353 3.056,354 0.8,355 8.629,356 2.446,357 3.723,358 2.682,359 5.553,360 3.383,361 2.469,362 2.972,363 0.8,364 7.507,365 2.254,366 3.477,367 2.394,368 5.218,369 3.083,370 2.164,371 2.757,372 0.4,373 6.366,374 1.99,375 3.205,376 2.25,377 4.93,378 2.807,379 1.865,380 2.447,382 5.495,383 1.75,384 3.048,385 2.151,386 4.468,387 2.617,388 1.697,389 2.321,391 4.505,392 1.555,393 2.947,394 1.866,395 4.283,396 2.584,397 1.697,398 2.01,400 4.065,401 1.527,402 2.838,403 1.548,404 4.206,405 2.535,406 1.548,407 1.879,409 3.7,410 1.5,411 2.689,412 1.53,413 3.745,414 2.191,415 1.246,416 1.772,417 2.838,418 1.175,419 2.5,420 1.288,421 3.511,422 2.018,423 1.137,424 1.5,425 2.694,426 0.992,427 2.277,428 1.283,429 3.472,430 1.97,431 1,432 1.225,433 2.509,434 0.968,435 2.238,436 1.256,437 3.469,438 1.952,439 1,440 1.205,441 2.304,442 0.946,443 2.166,444 1.256,445 3.394,446 1.952,447 1,448 1.132,449 2.218,450 0.946,451 16.667,452 0.463,453 0.688,454 0.019,455 48.75,456 1.354,457 22,458 0.611,459 26.75,460 0.743,461 30.893,462 0.858,463 39.133,464 0.611,465 38.73,466 1.076,467 9.676,468 0.269,469 8.066,470 0.224,471 0.03,473 0.312,478 0.939,479 1.687,480 0.742,481 1.286,482 0.797,483 1.02,484 1.327,485 0.976,486 0.938,487 0.85,488 1.005,489 0.838,490 1.214,491 1.167,492 1.02,493 0.925,494 1.065,495 0.935,496 0.573,497 0.958,498 0.976,499 1.108,500 0.817,501 1.11,502 0.752,503 1.259,504 0.873,505 1.069,506 0.857,507 0.993,508 1.181,509 0.972,510 1.075,511 0.864,512 1.236,513 0.914,514 0.978,515 1.13,516 1.044,517 0.954,518 1.046,519 0.98,520 1.026,521 0.974,522 1.05,523 1.015,524 1.208,525 1.024,526 5.5,527 0.205,528 3.333,529 2.125,530 1.421,531 1.208,532 0.698,533 0.316,534 0.226,535 0.267,536 21110,537 53310,538 2.221,539 43.8,541 24,543 2,544 2,549 1.777,550 2.16,551 3.59,552 0.259,558 104.136,559 1.627,560 3.645,561 4.514,562 4.801,563 4.801,564 4.801,565 2.916,566 4.239,567 5.145,568 3.789,569 2387.2,570 9.06,571 38122.6,576 384,577 1.056,578 5.134,579 0.134,580 0.005,581 0.058,582 0.037,583 0.025,584 0.021,585 0.012,586 0.006,587 0.005,588 0.006,589 0.31,590 0.17,591 0.63,592 0.287,593 195.734,594 -0.037,595 -0.417,596 0.092,597 -0.206,598 0.023,599 -0.058,600 -0.073,601 0.15,602 0.015,603 0.116,604 0.051,605 0.076,606 -0.175,607 -0.101,608 -0.064,609 0.056,610 -0.113,611 0.02,612 0.16,613 0.129,614 -0.053,615 -0.102,616 0.058,617 -0.123,618 0.029,619 -0.247,620 0.085,621 -0.074,622 0.056,623 0.005,624 -0.134,625 0.093,626 -0.086,627 0.024,628 -0.145,629 -0.011,630 0.017,631 -0.066,632 -0.071,633 -0.028,634 -0.007,635 -0.051,636 -0.06,637 0.019,638 -0.061,639 -0.06,640 -0.108,641 -0.058,642 1.245,643 2.029,644 0.917,645 37.889,646 1.01,647 1.143,648 3.264,649 10.651,650 0.653,651 3.738,652 4.06,653 4.369,654 4.663,655 4.898,656 4.963,657 5.153,658 5.288,659 5.389,660 5.509,661 7.652,662 0.631,663 488.62,664 3.738,665 5.283,666 6.146,667 7.027,668 7.904,669 8.79,670 9.672,671 10.561,672 11.445,673 12.335,674 15.6,680 2,682 3,684 5,689 2,690 7,691 5,692 1,695 6,697 22,709 1,711 3,716 64,718 22,719 1,720 41,722 69,723 24,724 15,725 3,726 3,728 6,729 7,740 15,741 9,760 28,761 11,762 2,763 12,769 10,775 0.833,776 2,785 1,788 2,793 1,794 5,797 1,818 2,819 5,823 1,827 36,833 8,834 1,835 2,838 3,850 3.1,854 2,858 16.667,859 11.767,860 7.833,861 3.812,863 4.315,864 1.505,865 1.018,866 6.724,867 12.867,868 3.97,869 4.557,870 5.16,871 5.768,872 6.276,873 6.562,874 6.98,875 7.379,876 7.613,877 8.007,878 0.875,879 58,880 13.273,881 5.634,882 7.565,883 25.728,884 21.181,885 2.065,886 74.333,890 306.049,891 118.921,892 127.852,894 22,897 118.921,898 328.048,899 127.852,900 8.396,901 26.792,902 47.381,903 129.347,904 67.471,905 12.926,906 282.506,908 306.049,909 246.772,910 22,913 306.049,915 22,917 86.483,918 76.484,919 83.805,921 306.049,922 149.852,923 118.921,926 306.049,927 45.048,928 83.245,929 34.674,930 105.805,931 306.049,932 149.852,933 118.921,935 0.576,936 0.343,937 0.196,938 0.106,939 29,940 11,941 0.087,942 6,943 1,944 1.061,945 4.715,946 362.001,947 0.061,948 33,949 162.117,954 23.219,955 10.426,956 5.054,957 1.987,958 133.189,959 13.483,960 22.943,961 3.013,964 4.322,966 34.674,967 574.821,968 52,980 64.625,981 73.139,983 0.271,984 0.607,985 0.752,986 0.8,987 0.8,988 0.8,989 5.212,990 1.697,991 6.111,992 5.495,993 4.745,994 5.244,995 1.968,996 6.919,997 4.601,998 6.389,999 1.697,1000 7.659,1001 4.505,1002 4.205,1003 4.945,1004 0.766,1005 7.779,1006 3.994,1007 7.682,1008 1.548,1009 9.308,1010 4.065,1011 6.326,1012 7.42,1013 1.531,1014 10.916,1015 6.051,1016 9.012,1017 1.246,1018 11.021,1019 3.7,1020 6.661,1021 8.017,1022 0.653,1023 12.633,1024 6.329,1025 10.379,1026 1.137,1027 12.775,1028 2.838,1029 8.196,1030 9.925,1031 1.235,1032 15.258,1033 7.804,1034 11.771,1035 1,1036 14.558,1037 2.694,1038 8.94,1039 10.955,1040 0.482,1041 17.328,1042 8.502,1043 13.184,1044 1,1045 16.36,1046 2.509,1047 10.228,1048 12.62,1049 0.995,1050 19.778,1051 9.735,1052 3.169,1053 1,1054 18.176,1055 2.304,1056 11.17,1057 13.871,1058 0.337,1059 22.003,1060 10.636,1061 3.026,1062 10.975,1063 20.004,1064 2.218,1065 12.355,1066 15.428,1067 0.792,1068 24.393,1069 11.771,1070 2.765,1071 9.702,1072 21.841,1073 4.478,1074 13.391,1075 16.792,1076 0.229,1077 26.693,1078 12.768,1079 2.684,1080 8.738,1081 23.685,1082 3.928,1083 14.534,1084 18.302,1085 0.621,1086 29.066,1087 13.868,1088 2.469,1089 8.629,1090 25.535,1091 3.715,1092 15.616,1093 19.724,1094 0.153,1095 31.403,1096 14.913,1097 2.164,1098 7.507,1099 27.391,1100 3.056,1101 16.746,1102 21.217,1103 0.48,1104 33.774,1105 16.002,1106 1.865,1107 6.366,1108 29.25,1109 2.972,1110 17.851,1111 22.669,1112 0.1,1113 36.131,1114 17.072,1115 19090,1116 30537,1117 28.72,1118 41.819,1119 61.784,1120 61.886,1121 62.101,1122 61.57,1123 61.49,1124 77.815,1125 9.04,1126 174.858,1127 57.092,1128 5.563,1129 5.325,1130 6.552,1131 5.234,1132 5.169,1133 7.478,1134 1.72,1135 18.372,1136 5.054,1137 7.808,1138 1.507,1139 1.509,1140 1.515,1141 1.502,1142 1.5,1143 1.898,1144 0.22,1145 4.265,1146 1.392,1147 4.113,1148 4.157,1149 4.078,1150 3.998,1151 5.113,1152 4.011,1153 3.963,1154 4.021,1155 3.922,1156 3.765,1157 5.043,1158 3.797,1159 3.817,1160 3.876,1161 3.773,1162 3.633,1163 4.9,1164 3.66,1165 3.744,1166 3.803,1167 3.625,1168 3.516,1169 4.616,1170 3.533,1171 3.589,1172 3.645,1173 3.489,1174 3.371,1175 4.598,1176 3.39,1177 3.391,1178 3.473,1179 3.303,1180 3.173,1181 4.421,1182 3.193,1183 3.248,1184 3.329,1185 3.118,1186 3.052,1187 4.121,1188 3.058,1189 3.111,1190 3.206,1191 2.946,1192 2.941,1193 4.022,1194 2.91,1195 0.111,1196 0.081,1197 0.165,1198 0.101,1199 0.077,1200 4.563,1201 0.109,1202 3.325,1203 0.021,1204 6.75,1205 0.268,1206 4.13,1207 0.074,1208 3.169,1209 4.478,1210 0.86,1211 10.975,1212 3.054,1213 1.949,1214 1.923,1215 2.029,1216 2.08,1217 1.225,1218 2.057,1219 1.846,1220 1.793,1221 1.974,1222 2.046,1223 1.187,1224 2.032,1225 1.724,1226 1.673,1227 1.903,1228 1.933,1229 1.176,1230 1.926,1231 1.679,1232 1.619,1233 1.827,1234 1.917,1235 0.839,1236 1.895,1237 1.509,1238 1.456,1239 1.669,1240 1.747,1241 0.825,1242 1.727,1243 1.333,1244 1.252,1245 1.576,1246 1.648,1247 0.825,1248 1.609,1249 1.2,1250 1.105,1251 1.513,1252 1.49,1253 0.739,1254 1.503,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.603,1260 1.429,1261 4.419,1263 5.74,1264 2.398,1265 7.263,1266 4.595,1267 8.875,1268 6.605,1269 10.532,1271 1.972,1277 5.873,1278 3.236,1279 11.058,1282 6.447,1289 40.385,1290 104.136,1291 233.273,1292 288.881,1293 307.245,1294 307.245,1295 307.245,1296 43.183,1297 8.552,1298 120.45,1299 120.45,1300 35,1301 12.865,1302 4.524,1303 3.585,1304 48.886,1305 167,1306 138,1307 0.139,1308 243.288,1309 407.18,1310 585.382,1311 71902,1313 24.321,1314 0.676,1315 0.558,1316 24.321,1317 20.093,1318 17.742,1319 0.433,1320 0.294,1321 11.773,1322 16.702,1323 11.594,1324 9.492,1325 17.742,1326 12.049,1327 15.727,1328 0.276,1329 0.152,1330 15.727,1331 8.638,1332 13.8,1333 0.177,1334 0.082,1335 13.8,1336 6.401,1337 12.023,1338 0.115,1339 0.042,1340 12.023,1341 4.451,1342 9.842,1343 0.074,1344 0.022,1345 9.842,1346 2.924,1347 0.22,1348 113.267,1349 0.187,1350 32.833,1351 0.382,1352 196,1353 585.298,1354 222.544,1355 555.155,1356 779.5,1357 528,1358 233,1359 592.344,1360 260.935,1361 591.691,1362 873.57,1363 558,1364 4.921}
{0 CHEMBL1270569,1 1.82,2 10.556,3 3.506,4 12.29,5 99.476,6 8.941,7 0.6,8 3.911,9 3.994,10 3.773,11 3.479,12 5.062,13 3.468,14 4.422,15 4.533,16 4.046,17 3.821,18 5.818,19 3.816,20 4.583,21 4.74,22 3.993,23 3.878,24 5.83,25 3.849,26 4.576,27 4.749,28 3.922,29 3.809,30 5.774,31 3.771,32 4.556,33 4.763,34 3.8,35 3.757,36 5.739,37 3.705,38 4.455,39 4.655,40 3.795,41 3.681,42 5.594,43 3.643,44 4.384,45 4.579,46 3.758,47 3.61,48 5.668,49 3.564,50 4.274,51 4.474,52 3.599,53 3.503,54 5.421,55 3.442,56 0.153,57 0.675,58 8.546,59 4.164,60 17.095,61 3.947,62 0.553,63 1.05,64 16.585,65 6.927,66 53.768,67 6.855,68 0.541,69 1.201,70 19.555,71 7.467,72 53.099,73 7.767,74 0.571,75 1.172,76 19.781,77 7.406,78 48.468,79 8.233,80 0.621,81 1.147,82 21.722,83 7.132,84 51.324,85 8.357,86 0.481,87 1.038,88 18.554,89 6.362,90 48.647,91 7.838,92 0.57,93 0.971,94 16.115,95 5.772,96 49.156,97 7.034,98 0.423,99 0.863,100 16.271,101 5.563,102 31.761,103 6.57,104 11,105 43,106 0.312,107 0.619,108 0.768,109 0.879,110 0.895,111 0.895,112 3.34,113 0.994,114 -3.57,115 -3.54,116 -3.38,118 41.9,123 1,125 1,138 8,140 5,141 1,143 1,146 1,167 4,170 3,171 3,173 3,175 4,178 4,182 7,184 1,186 2,188 1,192 9,195 2,196 1,197 3,199 1,203 1,204 6,206 2,211 1,214 1,215 5,220 3,223 3,227 5,228 1,231 1,233 2,235 1,239 1,240 1,243 1,245 2,247 3,252 4,255 2,260 3,264 1072,265 18.074,266 18.074,267 18.074,268 18.074,269 18.074,270 15.574,271 26.958,272 10.606,273 18.702,274 14.872,275 14.872,276 14.872,277 14.872,278 14.872,279 11.043,280 46.217,281 5.068,282 15.956,283 3.606,284 1.817,285 0.948,286 0.297,287 0.204,288 0.204,289 4.037,292 1,293 1,294 1,295 623,296 3.391,299 58.716,300 247.181,303 109.572,307 1.753,308 33.976,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 60,320 285,321 4.805,322 5.18,323 7.116,324 4.187,325 3.32,326 4.665,327 2.95,328 11.69,329 2.894,330 4.398,331 3.395,332 6.521,333 4.009,334 3.061,335 4.045,336 1.392,337 10.261,338 2.857,339 4.099,340 2.922,341 5.7,342 3.657,343 2.734,344 3.692,345 0.532,346 8.054,347 2.518,348 3.843,349 2.731,350 5.419,351 3.394,352 2.44,353 3.391,354 0.4,355 7.174,356 2.314,357 3.445,358 2.53,359 5.15,360 3.056,361 2.118,362 2.721,363 0.4,364 6.24,365 1.978,366 3.202,367 2.26,368 4.825,369 2.776,370 1.826,371 2.445,373 5.363,374 1.728,375 2.971,376 1.969,377 4.459,378 2.519,379 1.548,380 2.149,382 4.305,383 1.498,384 2.934,385 1.935,386 4.101,387 2.466,388 1.503,389 2.105,391 3.656,392 1.439,393 2.664,394 1.447,395 3.511,396 2.134,397 1.191,398 1.739,400 2.645,401 1.121,402 2.608,403 1.308,404 3.481,405 2.098,406 1.11,407 1.652,409 2.528,410 1.092,411 2.163,412 1.208,413 3.412,414 2,415 1,416 1.129,417 2.234,418 1,419 1.787,420 1.081,421 3.251,422 1.554,423 0.657,424 0.721,425 1.679,426 0.583,427 1.299,428 0.663,429 2.916,430 0.94,435 1.239,436 0.171,437 2.756,438 0.899,439 -0.044,440 -0.055,441 -0.115,442 -0.041,443 1,444 0.143,445 2.704,446 0.352,447 -0.601,448 -0.798,449 -1.448,450 -0.568,451 12.767,452 0.473,453 0.771,454 0.029,455 41.5,456 1.537,457 23,458 0.852,459 18.5,460 0.685,461 17.084,462 0.633,463 28.633,464 0.666,465 30.284,466 1.122,467 8.117,468 0.301,469 4.87,470 0.18,471 0.091,472 0.065,473 0.274,478 0.741,479 1.32,480 0.782,481 1.189,482 0.716,483 0.874,484 0.891,485 1.025,486 1.024,487 1.074,488 0.631,489 0.909,490 1.16,491 1.175,492 1.078,493 1.025,494 1.223,495 1.035,496 1.067,497 1.15,498 0.973,499 1.024,500 1.032,501 1.081,502 0.934,503 0.956,504 1.005,505 0.863,506 0.802,507 0.945,508 0.886,509 1.107,510 0.755,511 0.87,512 0.928,513 0.909,514 0.699,515 0.939,516 0.802,517 0.792,518 0.532,519 0.933,520 0.849,521 1.001,522 0.968,523 0.974,524 0.743,525 0.993,526 6.5,527 0.123,528 2.667,529 1.813,530 1.156,531 0.635,532 0.494,533 0.325,534 0.246,535 0.151,536 9477,537 31198,538 2.11,539 37.2,541 11,542 2,543 1,544 2,549 1.698,550 1.988,551 3.39,552 0.341,554 1,558 78.271,559 1.82,560 3.609,561 4.478,562 5.13,563 5.223,564 5.223,565 2.732,566 4.431,567 4.732,568 3.599,569 1263.38,570 8.197,571 16565.6,573 1,575 1,576 233.329,577 1.481,578 4.685,579 0.217,580 0.006,581 0.062,582 0.045,583 0.032,584 0.019,585 0.015,586 0.011,587 0.01,588 0.007,589 0.425,590 0.33,591 1,592 0.704,593 134.799,594 -0.023,595 -0.168,596 0.181,597 -0.083,598 -0.182,599 0.017,600 0.128,601 0.049,602 -0.073,603 -0.051,604 0.229,605 -0.021,606 -0.209,607 -0.132,608 -0.184,609 -0.092,610 -0.166,611 -0.126,612 -0.112,613 -0.15,614 -0.098,615 -0.122,616 -0.111,617 -0.147,618 -0.063,619 0.066,620 -0.089,621 0.031,622 -0.008,623 0.014,624 -0.048,625 -0.127,626 0.109,627 0.013,628 -0.102,629 0.07,630 0.179,631 0.099,632 0.059,633 0.068,634 0.179,635 0.001,636 -0.003,637 0.01,638 0.003,639 -0.024,640 -0.003,641 -0.01,642 4.208,643 4.697,644 0.778,645 23.3,646 1.025,647 1.122,648 2.338,649 5.465,650 0.699,651 3.434,652 3.784,653 4.007,654 4.263,655 4.443,656 4.466,657 4.595,658 4.682,659 4.718,660 4.812,661 6.676,662 0.681,663 384.45,664 3.434,665 4.99,666 5.832,667 6.718,668 7.574,669 8.459,670 9.32,671 10.203,672 11.067,673 11.948,674 9.3,682 2,684 2,690 9,691 2,695 7,697 18,709 2,714 2,716 43,718 20,719 2,720 30,722 46,723 18,724 16,725 5,726 7,728 4,729 5,740 16,741 2,744 2,747 1,749 2,756 1,757 1,760 16,761 8,762 2,763 9,764 1,769 4,775 0.75,776 4,788 1,793 1,794 3,797 1,819 3,821 1,823 1,827 27,830 1,833 1,834 2,835 2,850 9.3,853 2,855 2,858 13.583,859 7.983,860 5.722,861 2.244,863 3.642,864 1.479,865 1.019,866 4.701,867 11.245,868 3.738,869 4.388,870 4.877,871 5.423,872 5.937,873 6.075,874 6.455,875 6.771,876 7.112,877 7.478,878 0.857,879 40,880 10.094,881 4.517,882 7.948,883 18.599,884 15.282,885 2.448,886 66.083,889 1,890 164.795,891 126.522,892 69.593,894 66.313,896 6.046,897 120.476,898 231.108,899 69.593,900 7.19,901 6.65,902 81.856,903 89.655,904 84.62,905 27.769,906 129.482,908 164.795,909 190.069,910 66.313,911 6.046,913 164.795,914 66.313,917 53.618,918 102.879,919 39.617,921 164.795,922 135.905,923 126.522,925 6.046,926 164.795,927 28.428,928 92.048,929 36.022,930 99.884,931 164.795,932 135.905,933 126.522,935 0.59,936 0.33,937 0.176,938 0.093,939 22,940 9,941 0.109,942 5,943 1,944 1.095,945 3.933,946 230.739,947 0.095,948 21,949 126.382,953 1,954 17.737,955 7.157,956 4.032,958 135.905,959 15.33,960 8.575,964 3.711,966 36.022,967 427.223,968 41,971 -3.291,973 23.393,980 44.094,981 48.242,983 0.335,984 0.665,985 0.825,986 0.945,987 0.962,988 0.962,989 4.98,990 1.503,991 5.849,992 4.305,993 4.466,994 5.075,995 3.156,996 6.681,997 4.325,998 6.224,999 1.191,1000 7.425,1001 3.656,1002 4.205,1003 5.121,1005 7.803,1006 3.894,1007 7.573,1008 1.11,1009 9.112,1010 2.645,1011 6.129,1012 7.381,1013 5.077,1014 10.806,1015 5.806,1016 8.962,1017 1,1018 10.869,1019 2.528,1020 6.673,1021 8.225,1023 12.746,1024 6.152,1025 10.386,1026 0.657,1027 12.672,1028 2.234,1029 8.113,1030 10.02,1031 7.196,1032 15.337,1033 7.57,1034 11.835,1036 14.507,1037 1.679,1038 9.009,1039 11.217,1041 17.583,1042 8.275,1043 13.303,1044 -0.044,1045 16.366,1047 10.271,1048 12.838,1049 9.35,1050 20.058,1051 9.485,1052 3.32,1053 -0.601,1054 18.244,1055 -0.115,1056 11.321,1057 14.201,1059 22.42,1060 10.365,1061 3.061,1062 11.69,1063 20.135,1064 -1.448,1065 12.519,1066 15.755,1067 11.512,1068 24.864,1069 11.482,1070 2.734,1071 10.261,1072 22.038,1073 4.665,1074 13.638,1075 17.199,1077 27.272,1078 12.447,1079 2.44,1080 8.054,1081 23.95,1082 4.045,1083 14.816,1084 18.729,1085 13.675,1086 29.71,1087 13.525,1088 2.118,1089 7.174,1090 25.869,1091 3.692,1092 15.966,1093 20.213,1095 32.138,1096 14.532,1097 1.826,1098 6.24,1099 27.794,1100 3.391,1101 17.14,1102 21.737,1103 15.838,1104 34.579,1105 15.593,1106 1.548,1107 5.363,1108 29.724,1109 2.721,1110 18.306,1111 23.244,1113 37.016,1114 16.622,1115 8936,1116 16370,1117 20.167,1118 30.057,1119 45.042,1120 47.779,1121 45.188,1122 45.14,1123 45.013,1124 60.908,1125 11.346,1126 131.656,1127 42.047,1128 5.662,1129 7.18,1130 6.681,1131 5.269,1132 5.32,1133 7.665,1134 5.9,1135 18.669,1136 4.894,1137 11.843,1138 1.501,1139 1.593,1140 1.506,1141 1.505,1142 1.5,1143 2.03,1144 0.378,1145 4.389,1146 1.402,1147 4.084,1148 4.072,1149 4.735,1150 4.091,1151 7.716,1152 3.992,1153 3.971,1154 3.983,1155 3.945,1156 3.855,1157 6.999,1158 3.867,1159 3.809,1160 3.843,1161 3.805,1162 3.655,1163 5.058,1164 3.659,1165 3.635,1166 3.637,1167 3.655,1168 3.553,1169 4.966,1170 3.506,1171 3.296,1172 3.327,1173 3.185,1174 3.022,1175 4.686,1176 3.057,1177 3.1,1178 3.178,1179 3.01,1180 2.895,1181 4.383,1182 2.914,1183 2.979,1184 3.055,1185 2.868,1186 2.796,1187 4.116,1188 2.805,1189 2.782,1190 2.871,1191 2.584,1192 2.623,1193 3.971,1194 2.602,1195 0.16,1196 0.173,1197 0.237,1198 0.14,1199 0.111,1200 4.805,1201 0.156,1202 5.18,1203 0.098,1204 7.116,1205 0.39,1206 4.187,1207 0.096,1208 3.32,1209 4.665,1210 2.95,1211 11.69,1212 2.894,1213 1.976,1214 1.987,1215 1.995,1216 2.057,1217 1.216,1218 2.083,1219 1.87,1220 1.847,1221 1.954,1222 1.988,1223 1.059,1224 1.987,1225 1.708,1226 1.67,1227 1.792,1228 1.868,1229 0.84,1230 1.863,1231 1.54,1232 1.544,1233 1.585,1234 1.673,1235 0.766,1236 1.726,1237 1.166,1238 1.132,1239 1.437,1240 1.521,1241 0.578,1242 1.486,1243 1.024,1244 0.954,1245 1.234,1246 1.28,1247 0.275,1248 1.274,1249 0.89,1250 0.813,1251 1.137,1252 1.157,1253 0.204,1254 1.159,1255 0.809,1256 0.779,1257 1.078,1258 1.033,1259 0.187,1260 1.082,1261 4.111,1263 5.451,1264 2.398,1265 6.974,1266 4.595,1267 8.579,1268 6.605,1269 10.225,1271 1.164,1277 0.182,1278 6.186,1279 10.834,1289 29.293,1290 78.271,1291 155.19,1292 192.574,1293 220.574,1294 224.574,1295 224.574,1296 43.092,1297 7.603,1298 102.44,1299 110.82,1300 23,1301 12.487,1302 4.392,1303 3.585,1304 40.329,1305 110,1306 82,1307 0.179,1308 181.806,1309 311.73,1310 435.365,1311 22729,1313 18.855,1314 0.698,1315 0.561,1316 19.105,1317 15.155,1318 12.987,1319 0.433,1320 0.331,1321 8.055,1322 11.599,1323 7.711,1324 6.393,1325 13.882,1326 9.939,1327 12.511,1328 0.291,1329 0.183,1330 13.899,1331 7.871,1332 9.675,1333 0.179,1334 0.092,1335 10.418,1336 4.943,1337 8.215,1338 0.117,1339 0.047,1340 8.743,1341 3.256,1342 6.473,1343 0.077,1344 0.025,1345 6.959,1346 2.129,1347 0.284,1348 91.363,1349 0.223,1350 26.049,1351 0.481,1352 146,1353 501.759,1354 198.37,1355 496.245,1356 673.29,1357 460,1358 170,1359 474.422,1360 227.465,1361 509.013,1362 737.86,1363 474,1364 6.73}
{0 CHEMBL1270670,1 1.89,2 10.607,3 4.706,4 22.143,5 107.355,6 9.649,7 0.71,8 3.905,9 3.985,10 3.822,11 3.537,12 5.079,13 3.511,14 4.394,15 4.501,16 4.122,17 3.896,18 5.801,19 3.871,20 4.608,21 4.757,22 4.143,23 3.961,24 5.884,25 3.919,26 4.592,27 4.753,28 4.091,29 3.894,30 5.837,31 3.845,32 4.55,33 4.744,34 4.029,35 3.839,36 5.803,37 3.782,38 4.454,39 4.634,40 3.916,41 3.765,42 5.64,43 3.712,44 4.385,45 4.57,46 3.894,47 3.681,48 5.717,49 3.622,50 4.268,51 4.464,52 3.66,53 3.563,54 5.423,55 3.49,56 0.142,57 0.654,58 6.889,59 3.965,60 15.507,61 3.632,62 0.387,63 1.035,64 13.797,65 6.732,66 46.47,67 6.639,68 0.577,69 1.203,70 20.187,71 7.922,72 57.179,73 7.572,74 0.591,75 1.174,76 21.447,77 7.944,78 52.61,79 8.086,80 0.598,81 1.138,82 21.433,83 7.515,84 49.542,85 8.153,86 0.476,87 1.022,88 20.513,89 6.802,90 51.993,91 7.355,92 0.587,93 0.972,94 16.504,95 6.014,96 49.442,97 6.996,98 0.342,99 0.878,100 16.157,101 5.864,102 29.223,103 6.428,104 18,105 45,106 0.321,107 0.638,108 0.793,109 0.896,110 0.896,111 0.896,112 3.375,113 1.016,114 -4.3,115 -4.24,116 -4,118 44.2,123 1,138 8,139 1,140 4,141 1,143 1,146 1,147 1,148 1,167 5,170 2,171 4,173 3,175 3,178 6,182 5,184 1,186 4,188 3,192 8,195 1,196 1,197 4,199 1,203 1,204 8,206 2,211 4,215 4,220 2,223 4,227 5,228 3,231 1,233 4,235 1,240 2,245 3,247 1,252 4,255 2,260 6,264 1146,265 18.574,266 18.574,267 18.574,268 18.574,269 18.574,270 15.616,271 22.06,272 10.782,273 19.173,274 15.34,275 15.34,276 15.34,277 15.34,278 15.34,279 10.895,280 38.735,281 5.143,282 16.43,283 3.536,284 1.674,285 0.762,286 0.157,287 0.157,288 0.157,289 4.069,290 1,293 1,294 1,295 646,296 3.464,299 61.573,300 255.026,303 114.249,307 1.735,308 34.757,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 61.333,320 297,321 4.805,322 5.18,323 7.116,324 4.187,325 3.32,326 4.665,327 2.95,328 11.69,329 3.052,330 4.582,331 3.33,332 6.684,333 4.115,334 3.145,335 4.522,336 0.4,337 10.781,338 2.858,339 4.107,340 2.907,341 5.724,342 3.661,343 2.734,344 3.705,345 0.4,346 8.064,347 2.526,348 3.855,349 2.689,350 5.605,351 3.408,352 2.451,353 3.398,355 7.4,356 2.33,357 3.718,358 2.627,359 5.325,360 3.223,361 2.291,362 3.204,364 6.819,365 2.098,366 3.33,367 2.434,368 4.891,369 2.883,370 1.96,371 2.609,373 5.642,374 1.79,375 3.14,376 2.056,377 4.617,378 2.653,379 1.677,380 2.429,382 4.649,383 1.62,384 2.974,385 1.75,386 4.459,387 2.468,388 1.504,389 2.154,391 4.304,392 1.443,393 2.671,394 1.321,395 3.622,396 2.148,397 1.2,398 1.748,400 2.685,401 1.129,402 2.609,403 1.255,404 3.497,405 2.103,406 1.126,407 1.655,409 2.536,410 1.094,411 2.603,412 1.184,413 3.476,414 2.093,415 1.109,416 1.65,417 2.509,418 1.075,419 2.091,420 0.76,421 3.417,422 1.637,423 0.659,424 0.921,425 1.779,426 0.643,427 1.57,428 0.663,429 2.961,430 1.152,431 0.274,432 0.345,433 0.651,434 0.214,435 1.293,436 0.61,437 2.883,438 0.94,443 1,444 0.152,445 2.709,446 0.468,447 -0.424,448 -0.537,449 -1.087,450 -0.339,451 13.648,452 0.487,453 0.86,454 0.031,455 42.75,456 1.527,457 24,458 0.857,459 18.75,460 0.67,461 19.08,462 0.681,463 28.952,464 0.673,465 31.701,466 1.132,467 8.293,468 0.296,469 5.105,470 0.182,471 0.138,472 0.061,473 0.293,478 0.669,479 1.235,480 0.678,481 1.052,482 0.688,483 0.799,484 0.753,485 1.062,486 0.864,487 1.058,488 0.59,489 0.902,490 1.217,491 1.124,492 1.03,493 0.974,494 1.219,495 0.994,496 1.111,497 1.158,498 1.035,499 1.055,500 1.054,501 1.081,502 0.91,503 0.948,504 0.902,505 0.809,506 0.777,507 0.864,508 1.133,509 1.124,510 1.034,511 0.924,512 1.045,513 0.958,514 0.577,515 0.932,516 0.8,517 0.832,518 0.51,519 0.954,520 0.926,521 1.101,522 0.932,523 1.005,524 0.767,525 1.018,526 7,527 0.139,528 3.111,529 2,530 1.587,531 0.771,532 0.557,533 0.352,534 0.296,535 0.171,536 10168,537 35202,538 2.085,539 34.9,541 11,542 1,543 1,544 2,549 1.709,550 1.942,551 3.384,552 0.318,558 81.261,559 1.89,560 3.752,561 4.665,562 5.269,563 5.269,564 5.269,565 2.717,566 4.084,567 4.785,568 3.603,569 1362.11,570 8.307,571 18251.2,573 1,576 233.329,577 1.572,578 4.728,579 0.226,580 0.007,581 0.069,582 0.047,583 0.041,584 0.021,585 0.016,586 0.011,587 0.011,588 0.007,589 0.456,590 0.17,591 1,592 0.744,593 141.117,594 -0.009,595 -0.116,596 0.113,597 -0.052,598 -0.174,599 0.031,600 0.114,601 0.007,602 -0.056,603 -0.098,604 0.231,605 -0.047,606 -0.198,607 -0.094,608 -0.139,609 -0.055,610 -0.168,611 -0.097,612 -0.096,613 -0.166,614 -0.095,615 -0.146,616 -0.12,617 -0.151,618 0.006,619 0.088,620 0.035,621 0.101,622 0.037,623 0.099,624 -0.195,625 -0.142,626 -0.065,627 -0.025,628 -0.181,629 0.005,630 0.306,631 0.117,632 0.061,633 0.034,634 0.205,635 -0.019,636 -0.12,637 -0.081,638 -0.036,639 -0.059,640 -0.036,641 -0.027,642 4.221,643 4.721,644 0.75,645 24.214,646 1.025,647 1.116,648 3.069,649 9.418,650 0.732,651 3.466,652 3.829,653 4.06,654 4.317,655 4.522,656 4.554,657 4.673,658 4.745,659 4.796,660 4.86,661 6.726,662 0.707,663 414.9,664 3.466,665 5.03,666 5.878,667 6.77,668 7.634,669 8.524,670 9.395,671 10.283,672 11.157,673 12.045,674 9.3,682 2,684 2,689 2,690 10,691 2,693 1,695 6,697 22,709 2,715 1,716 43,718 24,719 2,720 31,722 46,723 19,724 18,725 6,726 6,728 4,729 5,730 1,740 18,741 1,744 2,747 1,749 2,759 1,760 15,761 7,762 2,763 9,764 2,769 4,775 0.75,776 3,788 1,793 1,794 3,797 1,819 3,821 1,823 1,824 1,827 28,830 1,834 2,849 1,850 7,853 2,855 1,858 14.417,859 8.043,860 5.917,861 2.273,863 4.475,864 1.582,865 1.033,866 4.978,867 12.167,868 3.807,869 4.503,870 5.054,871 5.654,872 6.175,873 6.43,874 6.83,875 7.187,876 7.421,877 7.783,878 0.857,879 43,880 10.451,881 4.695,882 7.959,883 19.223,884 15.902,885 2.459,886 68.861,889 1,890 153.024,891 132.034,892 69.593,893 39.149,894 53.82,896 6.046,897 125.988,898 245.993,899 69.593,900 7.19,902 93.595,903 89.655,904 67.714,905 20.834,906 129.482,907 39.149,908 153.024,909 195.581,910 53.82,911 45.195,913 153.024,914 53.82,917 46.968,918 115.042,919 78.766,921 153.024,922 123.413,923 171.183,925 6.046,926 153.024,927 22.201,928 103.787,929 36.022,930 126.54,931 153.024,932 123.413,933 171.183,935 0.595,936 0.335,937 0.177,938 0.096,939 23,940 10,941 0.109,942 5,943 1,944 1.095,945 3.958,946 244.869,947 0.095,948 21,949 132.606,953 1,954 18.751,955 7.433,956 4.146,957 1.54,958 123.413,959 16.797,960 8.579,962 5.51,964 2.68,966 36.022,967 447.62,968 44,971 -3.305,973 23.442,980 44.091,981 47.977,983 0.348,984 0.692,985 0.86,986 0.971,987 0.971,988 0.971,989 5.047,990 1.504,991 5.905,992 4.649,993 4.511,994 5.19,995 2.947,996 6.751,997 4.376,998 6.312,999 1.2,1000 7.493,1001 4.304,1002 4.29,1003 5.27,1005 7.888,1006 3.987,1007 7.671,1008 1.126,1009 9.19,1010 2.685,1011 6.188,1012 7.558,1013 5.028,1014 10.903,1015 5.898,1016 9.07,1017 1.109,1018 10.954,1019 2.536,1020 6.758,1021 8.44,1023 12.845,1024 6.291,1025 10.502,1026 0.659,1027 12.763,1028 2.509,1029 8.184,1030 10.248,1031 7.185,1032 15.45,1033 7.713,1034 11.959,1035 0.274,1036 14.602,1037 1.779,1038 9.094,1039 11.482,1041 17.696,1042 8.468,1043 13.434,1045 16.464,1046 0.651,1047 10.351,1048 13.113,1049 9.348,1050 20.181,1051 9.69,1052 3.32,1053 -0.424,1054 18.343,1056 11.411,1057 14.506,1059 22.544,1060 10.62,1061 3.145,1062 11.69,1063 20.236,1064 -1.087,1065 12.608,1066 16.069,1067 11.511,1068 24.994,1069 11.76,1070 2.734,1071 10.781,1072 22.139,1073 4.665,1074 13.733,1075 17.534,1077 27.402,1078 12.773,1079 2.451,1080 8.064,1081 24.051,1082 4.522,1083 14.913,1084 19.072,1085 13.675,1086 29.842,1087 13.881,1088 2.291,1089 7.4,1090 25.97,1091 3.705,1092 16.067,1093 20.57,1095 32.269,1096 14.935,1097 1.96,1098 6.819,1099 27.895,1100 3.398,1101 17.243,1102 22.099,1103 15.838,1104 34.709,1105 16.032,1106 1.677,1107 5.642,1108 29.824,1109 3.204,1110 18.411,1111 23.612,1113 37.144,1114 17.108,1115 9645,1116 18106,1117 20.572,1118 31.46,1119 47.208,1120 49.348,1121 47.302,1122 47.148,1123 46.9,1124 66.011,1125 7.5,1126 139.016,1127 43.745,1128 5.608,1129 7.18,1130 6.67,1131 5.265,1132 5.32,1133 7.665,1134 5.9,1135 18.846,1136 5.052,1137 13.921,1138 1.523,1139 1.592,1140 1.526,1141 1.521,1142 1.513,1143 2.129,1144 0.242,1145 4.484,1146 1.411,1147 4.113,1148 4.12,1149 4.735,1150 4.093,1151 7.716,1152 4.025,1153 4.066,1154 4.047,1155 4.135,1156 4.002,1157 6.999,1158 3.98,1159 3.829,1160 3.87,1161 3.83,1162 3.667,1163 5.182,1164 3.675,1165 3.637,1166 3.64,1167 3.663,1168 3.558,1169 5.006,1170 3.508,1171 3.388,1172 3.409,1173 3.628,1174 3.271,1175 4.755,1176 3.27,1177 3.108,1178 3.182,1179 3.026,1180 2.903,1181 4.684,1182 2.923,1183 2.995,1184 3.067,1185 2.936,1186 2.823,1187 4.119,1188 2.83,1189 2.782,1190 2.871,1191 2.854,1192 2.624,1193 4.074,1194 2.602,1195 0.155,1196 0.167,1197 0.23,1198 0.135,1199 0.107,1200 4.805,1201 0.15,1202 5.18,1203 0.095,1204 7.116,1205 0.377,1206 4.187,1207 0.098,1208 3.32,1209 4.665,1210 2.95,1211 11.69,1212 3.052,1213 1.976,1214 1.987,1215 1.997,1216 2.061,1217 1.216,1218 2.083,1219 1.923,1220 1.909,1221 1.971,1222 2.007,1223 1.137,1224 2.01,1225 1.721,1226 1.68,1227 1.801,1228 1.884,1229 0.842,1230 1.879,1231 1.541,1232 1.546,1233 1.586,1234 1.674,1235 0.775,1236 1.727,1237 1.383,1238 1.363,1239 1.529,1240 1.604,1241 0.533,1242 1.578,1243 1.024,1244 0.954,1245 1.233,1246 1.277,1247 0.273,1248 1.269,1249 0.933,1250 0.916,1251 1.135,1252 1.144,1253 0.204,1254 1.146,1255 0.85,1256 0.79,1257 1.078,1258 1.088,1259 0.186,1260 1.082,1261 4.143,1263 5.493,1264 2.398,1265 7.026,1266 4.595,1267 8.641,1268 6.605,1269 10.299,1271 1.159,1272 6.301,1278 6.157,1289 30.405,1290 81.261,1291 161.355,1292 200.574,1293 226.574,1294 226.574,1295 226.574,1296 48.893,1297 7.691,1298 97.12,1299 105.5,1300 23,1301 12.578,1302 4.644,1303 3.807,1304 42.525,1305 116,1306 88,1307 0.181,1308 192.807,1309 321.91,1310 462.209,1311 25168,1312 2.3,1313 19.725,1314 0.704,1315 0.58,1316 20.475,1317 16.251,1318 13.398,1319 0.432,1320 0.339,1321 8.304,1322 11.839,1323 7.911,1324 6.55,1325 14.581,1326 10.499,1327 13.039,1328 0.29,1329 0.189,1330 14.797,1331 8.5,1332 10.163,1333 0.178,1334 0.095,1335 11.265,1336 5.423,1337 8.486,1338 0.115,1339 0.048,1340 9.289,1341 3.538,1342 6.849,1343 0.075,1344 0.026,1345 7.665,1346 2.393,1347 0.286,1348 96.094,1349 0.22,1350 26.756,1351 0.489,1352 152,1353 502.226,1354 216.126,1355 535.773,1356 718.62,1357 494,1358 178,1359 488.74,1360 243.902,1361 534.953,1362 774.73,1363 500,1364 6.285}
{0 CHEMBL1270671,1 1.764,2 10.556,3 4.041,4 16.331,5 102.55,6 8.848,7 0.733,8 3.898,9 3.986,10 3.757,11 3.512,12 5.056,13 3.486,14 4.386,15 4.502,16 4.025,17 3.86,18 5.773,19 3.836,20 4.595,21 4.759,22 3.982,23 3.911,24 5.829,25 3.868,26 4.574,27 4.755,28 3.907,29 3.836,30 5.763,31 3.786,32 4.536,33 4.746,34 3.79,35 3.77,36 5.722,37 3.709,38 4.436,39 4.637,40 3.778,41 3.7,42 5.572,43 3.654,44 4.372,45 4.573,46 3.742,47 3.645,48 5.652,49 3.582,50 4.259,51 4.465,52 3.577,53 3.529,54 5.392,55 3.458,56 0.115,57 0.666,58 8.616,59 4.093,60 15.05,61 4.004,62 0.34,63 1.051,64 15.383,65 6.821,66 46.137,67 7.085,68 0.463,69 1.23,70 20.241,71 7.727,72 52.827,73 8.097,74 0.437,75 1.201,76 19.995,77 7.612,78 45.769,79 8.52,80 0.509,81 1.163,82 21.156,83 7.197,84 47.116,85 8.464,86 0.363,87 1.049,88 18.032,89 6.388,90 44.633,91 7.696,92 0.503,93 0.994,94 15.897,95 5.862,96 47.36,97 7.256,98 0.271,99 0.887,100 15.893,101 5.659,102 26.688,103 6.666,104 11,105 43,106 0.3,107 0.601,108 0.759,109 0.88,110 0.896,111 0.896,112 3.34,113 1.002,114 -4.07,115 -4.02,116 -3.81,118 44.2,123 1,138 9,139 1,140 3,141 1,143 1,146 1,147 1,148 1,167 6,170 2,171 4,173 3,175 4,178 6,182 6,184 1,186 3,188 3,192 8,195 1,196 1,197 4,199 2,203 1,204 7,206 2,211 2,215 5,220 3,223 4,227 5,228 2,231 1,233 3,235 1,240 2,245 3,247 3,252 4,255 2,260 5,264 1072,265 18.074,266 18.074,267 18.074,268 18.074,269 18.074,270 15.168,271 22.126,272 10.606,273 18.565,274 14.872,275 14.872,276 14.872,277 14.872,278 14.872,279 10.507,280 40.905,281 5.068,282 15.728,283 3.662,284 1.892,285 0.96,286 0.25,287 0.157,288 0.157,289 4.037,292 1,293 1,294 1,295 623,296 3.391,299 58.716,300 247.181,303 109.572,307 1.753,308 30.527,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 59,320 285,321 4.805,322 5.18,323 7.116,324 4.187,325 3.32,326 4.665,327 2.95,328 11.69,329 3.026,330 4.517,331 3.123,332 6.521,333 4.049,334 3.061,335 4.46,336 0.4,337 10.261,338 2.858,339 4.107,340 2.9,341 5.7,342 3.661,343 2.734,344 3.704,345 0.4,346 8.054,347 2.526,348 3.848,349 2.689,350 5.419,351 3.398,352 2.44,353 3.395,355 7.174,356 2.325,357 3.515,358 2.459,359 5.15,360 3.075,361 2.118,362 2.894,364 6.24,365 2.024,366 3.244,367 2.138,368 4.825,369 2.787,370 1.826,371 2.521,373 5.363,374 1.746,375 3.048,376 1.859,377 4.459,378 2.548,379 1.548,380 2.321,382 4.305,383 1.548,384 2.973,385 1.548,386 4.101,387 2.467,388 1.503,389 2.152,391 3.656,392 1.442,393 2.666,394 1.307,395 3.511,396 2.136,397 1.191,398 1.742,400 2.645,401 1.123,402 2.609,403 1.196,404 3.481,405 2.098,406 1.11,407 1.652,409 2.528,410 1.093,411 2.5,412 1,413 3.412,414 2,415 1,416 1.5,417 2.234,418 1,419 2.09,420 0.723,421 3.251,422 1.636,423 0.657,424 0.921,425 1.679,426 0.642,427 1.312,428 0.663,429 2.916,430 0.941,435 1.275,436 0.154,437 2.756,438 0.909,439 -0.044,440 -0.057,441 -0.115,442 -0.042,443 1,444 0.063,445 2.704,446 0.359,447 -0.601,448 -0.819,449 -1.448,450 -0.572,451 12.933,452 0.479,453 0.771,454 0.029,455 42,456 1.556,457 24,458 0.889,459 18,460 0.667,461 16.827,462 0.623,463 27.867,464 0.648,465 30.541,466 1.131,467 8.205,468 0.304,469 4.782,470 0.177,471 0.09,472 0.064,473 0.271,478 0.679,479 1.236,480 0.791,481 1.121,482 0.695,483 0.842,484 0.758,485 1.069,486 1.013,487 1.135,488 0.588,489 0.955,490 1.258,491 1.12,492 1.086,493 0.987,494 1.228,495 1.01,496 1.14,497 1.156,498 0.968,499 1.018,500 1.031,501 1.063,502 0.93,503 0.956,504 0.996,505 0.872,506 0.801,507 0.94,508 1.013,509 1.124,510 0.779,511 0.865,512 0.964,513 0.901,514 0.623,515 0.907,516 0.799,517 0.774,518 0.513,519 0.924,520 0.918,521 1.097,522 0.972,523 1.011,524 0.744,525 1.002,526 6.5,527 0.123,528 2.667,529 1.813,530 1.156,531 0.635,532 0.494,533 0.325,534 0.246,535 0.151,536 9477,537 29763,538 2.11,539 37.2,541 12,542 1,543 1,544 2,549 1.698,550 1.988,551 3.39,552 0.304,554 1,558 75.864,559 1.764,560 3.535,561 4.466,562 5.176,563 5.269,564 5.269,565 2.732,566 4.431,567 4.732,568 3.599,569 1263.38,570 8.197,571 16565.6,573 1,575 1,576 233.329,577 1.481,578 4.685,579 0.217,580 0.006,581 0.062,582 0.045,583 0.032,584 0.019,585 0.015,586 0.011,587 0.01,588 0.007,589 0.425,590 0.33,591 1,592 0.704,593 134.799,594 0.011,595 -0.117,596 0.183,597 -0.05,598 -0.177,599 0.033,600 0.155,601 -0.001,602 -0.074,603 -0.13,604 0.252,605 -0.072,606 -0.212,607 -0.092,608 -0.178,609 -0.061,610 -0.162,611 -0.104,612 -0.133,613 -0.163,614 -0.084,615 -0.116,616 -0.106,617 -0.128,618 -0.017,619 0.076,620 -0.074,621 0.026,622 0.002,623 0.014,624 -0.115,625 -0.14,626 0.085,627 0.018,628 -0.124,629 0.064,630 0.265,631 0.138,632 0.062,633 0.089,634 0.193,635 0.008,636 -0.097,637 -0.083,638 -0.001,639 -0.059,640 -0.013,641 -0.019,642 4.202,643 4.702,644 0.778,645 23.3,646 1.018,647 1.117,648 2.841,649 8.073,650 0.712,651 3.434,652 3.784,653 4.007,654 4.263,655 4.443,656 4.466,657 4.595,658 4.682,659 4.718,660 4.812,661 6.676,662 0.688,663 380.46,664 3.434,665 4.99,666 5.832,667 6.718,668 7.574,669 8.459,670 9.32,671 10.203,672 11.067,673 11.948,674 9.3,682 2,684 2,689 2,690 11,691 2,693 1,695 5,697 22,709 2,716 43,718 24,719 2,720 30,722 46,723 19,724 18,725 5,726 7,728 4,729 5,740 18,741 1,744 2,747 1,749 2,757 1,759 1,760 16,761 7,762 2,763 8,764 1,769 4,775 0.75,776 3,788 1,793 1,794 3,797 1,819 3,821 1,823 1,827 27,830 1,834 2,850 7,853 2,855 1,858 13.583,859 7.983,860 5.722,861 2.286,863 4.434,864 1.583,865 1.037,866 4.561,867 12.037,868 3.784,869 4.469,870 5.015,871 5.612,872 6.111,873 6.341,874 6.756,875 7.126,876 7.35,877 7.748,878 0.857,879 40,880 10.085,881 4.511,882 7.91,883 18.662,884 15.42,885 2.41,886 65.083,889 1,890 164.795,891 138.01,892 69.593,894 53.82,896 6.046,897 131.964,898 218.616,899 69.593,900 7.19,902 103.072,903 89.655,904 64.213,905 20.834,906 141.253,908 164.795,909 201.556,910 53.82,911 6.046,913 164.795,914 53.82,917 46.968,918 121.017,919 39.617,921 164.795,922 123.413,923 138.01,925 6.046,926 164.795,927 18.7,928 113.264,929 36.022,930 87.391,931 164.795,932 123.413,933 138.01,935 0.59,936 0.33,937 0.176,938 0.093,939 22,940 9,941 0.109,942 5,943 1,944 1.095,945 3.933,946 230.739,947 0.095,948 21,949 126.382,953 1,954 17.527,955 7.026,956 3.945,957 1.733,958 123.413,959 19.172,960 8.607,962 5.514,964 2.531,966 36.022,967 426.218,968 43,971 -3.285,973 23.404,980 43.767,981 48.033,983 0.325,984 0.651,985 0.823,986 0.954,987 0.971,988 0.971,989 5.014,990 1.503,991 5.849,992 4.305,993 4.466,994 5.156,995 2.947,996 6.681,997 4.356,998 6.271,999 1.191,1000 7.425,1001 3.656,1002 4.205,1003 5.198,1005 7.803,1006 3.942,1007 7.623,1008 1.11,1009 9.112,1010 2.645,1011 6.129,1012 7.514,1013 5.028,1014 10.806,1015 5.873,1016 9.018,1017 1,1018 10.869,1019 2.528,1020 6.673,1021 8.376,1023 12.746,1024 6.249,1025 10.446,1026 0.657,1027 12.672,1028 2.234,1029 8.113,1030 10.199,1031 7.185,1032 15.337,1033 7.681,1034 11.899,1036 14.507,1037 1.679,1038 9.009,1039 11.422,1041 17.583,1042 8.424,1043 13.373,1044 -0.044,1045 16.366,1047 10.271,1048 13.059,1049 9.348,1050 20.058,1051 9.649,1052 3.32,1053 -0.601,1054 18.244,1055 -0.115,1056 11.321,1057 14.446,1059 22.42,1060 10.569,1061 3.061,1062 11.69,1063 20.135,1064 -1.448,1065 12.519,1066 16.01,1067 11.511,1068 24.864,1069 11.707,1070 2.734,1071 10.261,1072 22.038,1073 4.665,1074 13.638,1075 17.47,1077 27.272,1078 12.712,1079 2.44,1080 8.054,1081 23.95,1082 4.46,1083 14.816,1084 19.006,1085 13.675,1086 29.71,1087 13.815,1088 2.118,1089 7.174,1090 25.869,1091 3.704,1092 15.966,1093 20.5,1095 32.138,1096 14.861,1097 1.826,1098 6.24,1099 27.794,1100 3.395,1101 17.14,1102 22.027,1103 15.838,1104 34.579,1105 15.952,1106 1.548,1107 5.363,1108 29.724,1109 2.894,1110 18.306,1111 23.537,1113 37.016,1114 17.019,1115 8936,1116 15997,1117 20.167,1118 30.602,1119 45.442,1120 47.07,1121 45.188,1122 45.201,1123 45.013,1124 63.856,1125 7.5,1126 131.656,1127 42.703,1128 5.605,1129 7.18,1130 6.681,1131 5.264,1132 5.32,1133 7.665,1134 5.9,1135 18.669,1136 5.026,1137 11.843,1138 1.515,1139 1.569,1140 1.506,1141 1.507,1142 1.5,1143 2.129,1144 0.25,1145 4.389,1146 1.423,1147 4.111,1148 4.12,1149 4.735,1150 4.093,1151 7.716,1152 4.02,1153 4.065,1154 4.047,1155 4.064,1156 3.994,1157 6.999,1158 3.978,1159 3.829,1160 3.87,1161 3.829,1162 3.667,1163 5.16,1164 3.675,1165 3.637,1166 3.64,1167 3.66,1168 3.558,1169 5.006,1170 3.508,1171 3.374,1172 3.412,1173 3.282,1174 3.235,1175 4.686,1176 3.239,1177 3.108,1178 3.182,1179 3.021,1180 2.903,1181 4.418,1182 2.922,1183 2.994,1184 3.067,1185 2.884,1186 2.82,1187 4.108,1188 2.828,1189 2.782,1190 2.871,1191 2.584,1192 2.624,1193 3.971,1194 2.602,1195 0.16,1196 0.173,1197 0.237,1198 0.14,1199 0.111,1200 4.805,1201 0.156,1202 5.18,1203 0.098,1204 7.116,1205 0.39,1206 4.187,1207 0.101,1208 3.32,1209 4.665,1210 2.95,1211 11.69,1212 3.026,1213 1.977,1214 1.987,1215 2.014,1216 2.064,1217 1.216,1218 2.084,1219 1.928,1220 1.909,1221 1.989,1222 2.016,1223 1.137,1224 2.023,1225 1.721,1226 1.68,1227 1.802,1228 1.888,1229 0.842,1230 1.882,1231 1.541,1232 1.546,1233 1.586,1234 1.674,1235 0.775,1236 1.727,1237 1.385,1238 1.362,1239 1.547,1240 1.605,1241 0.547,1242 1.581,1243 1.024,1244 0.954,1245 1.233,1246 1.277,1247 0.273,1248 1.269,1249 0.942,1250 0.914,1251 1.138,1252 1.145,1253 0.204,1254 1.148,1255 0.857,1256 0.789,1257 1.079,1258 1.13,1259 0.189,1260 1.118,1261 4.111,1263 5.451,1264 2.398,1265 6.974,1266 4.595,1267 8.579,1268 6.605,1269 10.225,1271 1.169,1278 6.239,1289 29.578,1290 75.864,1291 151.991,1292 192.045,1293 222.574,1294 226.574,1295 226.574,1296 43.175,1297 7.603,1298 97.12,1299 105.5,1300 23,1301 12.487,1302 4.644,1303 3.807,1304 40.329,1305 110,1306 82,1307 0.179,1308 184.474,1309 306.7,1310 441.877,1311 22729,1313 18.855,1314 0.698,1315 0.563,1316 19.105,1317 15.195,1318 12.987,1319 0.433,1320 0.334,1321 8.169,1322 11.716,1323 7.81,1324 6.491,1325 13.882,1326 10.015,1327 12.511,1328 0.291,1329 0.185,1330 13.899,1331 7.976,1332 9.675,1333 0.179,1334 0.093,1335 10.418,1336 5.026,1337 8.215,1338 0.117,1339 0.047,1340 8.743,1341 3.318,1342 6.473,1343 0.077,1344 0.026,1345 6.959,1346 2.165,1347 0.284,1348 90.454,1349 0.223,1350 26.049,1351 0.481,1352 146,1353 468.023,1354 194.607,1355 473.752,1356 646.63,1357 438,1358 170,1359 460.877,1360 223.7,1361 497.437,1362 717.51,1363 465,1364 6.513}
{0 CHEMBL1270772,1 1.747,2 10.556,3 3.796,4 14.409,5 103.481,6 8.5,7 0.6,8 3.936,9 4.03,10 3.761,11 3.534,12 5.041,13 3.502,14 4.457,15 4.587,16 4.032,17 3.894,18 5.785,19 3.86,20 4.67,21 4.847,22 3.991,23 3.953,24 5.856,25 3.898,26 4.621,27 4.808,28 3.914,29 3.871,30 5.769,31 3.811,32 4.606,33 4.827,34 3.8,35 3.813,36 5.751,37 3.741,38 4.508,39 4.727,40 3.783,41 3.736,42 5.584,43 3.676,44 4.422,45 4.628,46 3.75,47 3.677,48 5.67,49 3.608,50 4.335,51 4.551,52 3.586,53 3.581,54 5.405,55 3.495,56 0.108,57 0.701,58 9.892,59 4.407,60 16.166,61 4.63,62 0.36,63 1.115,64 18.078,65 7.509,66 50.674,67 8.251,68 0.474,69 1.3,70 23.464,71 8.454,72 55.792,73 9.598,74 0.415,75 1.243,76 21.943,77 8.019,78 45.965,79 9.559,80 0.52,81 1.225,82 23.534,83 7.605,84 50.391,85 9.521,86 0.363,87 1.101,88 20.873,89 6.956,90 45.986,91 9.016,92 0.515,93 1.035,94 17.482,95 6.056,96 51.14,97 7.823,98 0.263,99 0.936,100 17.859,101 6.161,102 28.449,103 7.723,104 11,105 43,106 0.297,107 0.623,108 0.78,109 0.878,110 0.893,111 0.893,112 3.34,113 1.03,114 -4.14,115 -4.09,116 -3.87,118 42.2,120 1,123 1,124 1,138 8,139 1,140 4,141 1,143 1,146 1,167 6,170 2,171 4,173 3,175 4,178 6,182 6,184 1,186 3,188 3,192 8,195 1,196 1,197 4,199 2,203 1,204 7,206 2,211 2,215 5,220 3,223 4,227 5,228 2,231 1,233 3,235 1,240 2,245 3,247 3,252 4,255 2,260 5,264 1072,265 18.074,266 18.074,267 18.074,268 18.074,269 18.074,270 15.574,271 26.417,272 10.606,273 18.688,274 14.872,275 14.872,276 14.872,277 14.872,278 14.872,279 11.043,280 44.278,281 5.068,282 15.924,283 3.745,284 1.826,285 0.906,286 0.328,287 0.239,288 0.239,289 4.037,292 1,293 1,294 1,295 623,296 3.391,299 58.716,300 247.181,303 109.572,307 1.753,308 31.18,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 59,320 285,321 4.805,322 5.18,323 7.116,324 4.187,325 3.32,326 4.665,327 2.95,328 11.69,329 2.937,330 4.398,331 3.335,332 6.521,333 4.021,334 3.061,335 4.045,336 0.86,337 10.261,338 2.858,339 4.099,340 2.917,341 5.7,342 3.659,343 2.734,344 3.692,345 0.4,346 8.054,347 2.523,348 3.843,349 2.716,350 5.419,351 3.397,352 2.44,353 3.391,354 0.4,355 7.174,356 2.322,357 3.445,358 2.499,359 5.15,360 3.072,361 2.118,362 2.721,364 6.24,365 2.02,366 3.202,367 2.201,368 4.825,369 2.786,370 1.826,371 2.445,373 5.363,374 1.744,375 2.971,376 1.944,377 4.459,378 2.499,379 1.548,380 2.149,382 4.305,383 1.467,384 2.934,385 1.88,386 4.101,387 2.466,388 1.503,389 2.105,391 3.656,392 1.44,393 2.664,394 1.314,395 3.511,396 2.135,397 1.191,398 1.739,400 2.645,401 1.122,402 2.608,403 1.252,404 3.481,405 2.098,406 1.11,407 1.652,409 2.528,410 1.092,411 2.163,412 1.204,413 3.412,414 1.942,415 1,416 1.129,417 2.234,418 0.932,419 1.787,420 0.992,421 3.251,422 1.578,423 0.657,424 0.721,425 1.679,426 0.6,427 1.299,428 0.663,429 2.916,430 0.94,435 1.239,436 0.16,437 2.756,438 0.898,439 -0.044,440 -0.055,441 -0.115,442 -0.041,443 1,444 0.13,445 2.704,446 0.354,447 -0.601,448 -0.798,449 -1.448,450 -0.569,451 12.933,452 0.479,453 0.771,454 0.029,455 40.5,456 1.5,457 22.5,458 0.833,459 18,460 0.667,461 18.124,462 0.671,463 28.467,464 0.633,465 29.245,466 1.083,467 7.755,468 0.287,469 5.232,470 0.194,471 0.09,472 0.064,473 0.271,478 0.673,479 1.275,480 0.803,481 1.15,482 0.686,483 0.884,484 0.808,485 1.069,486 1.004,487 1.119,488 0.585,489 0.96,490 1.259,491 1.115,492 1.063,493 0.981,494 1.182,495 1.008,496 1.114,497 1.184,498 0.96,499 1.04,500 1.013,501 1.08,502 0.933,503 0.959,504 0.99,505 0.871,506 0.772,507 0.945,508 0.958,509 1.091,510 0.738,511 0.838,512 0.922,513 0.863,514 0.665,515 0.925,516 0.828,517 0.789,518 0.532,519 0.942,520 0.872,521 1.114,522 0.952,523 1.027,524 0.721,525 1.023,526 6.5,527 0.123,528 2.667,529 1.813,530 1.156,531 0.635,532 0.494,533 0.325,534 0.246,535 0.151,536 9477,537 28318,538 2.11,539 40,541 13,543 1,544 2,546 2,549 1.698,550 1.988,551 3.39,552 0.304,554 1,558 78.609,559 1.747,560 3.666,561 4.586,562 5.164,563 5.253,564 5.253,565 2.732,566 4.431,567 4.732,568 3.599,569 1263.38,570 8.197,571 16565.6,573 1,575 1,576 247.133,577 1.481,578 4.685,579 0.217,580 0.006,581 0.062,582 0.045,583 0.032,584 0.019,585 0.015,586 0.011,587 0.01,588 0.007,589 0.425,590 0.33,591 1,592 0.704,593 134.799,594 0.02,595 -0.121,596 0.189,597 -0.045,598 -0.16,599 0.033,600 0.143,601 0.007,602 -0.047,603 -0.096,604 0.252,605 -0.042,606 -0.195,607 -0.093,608 -0.149,609 -0.05,610 -0.136,611 -0.087,612 -0.116,613 -0.185,614 -0.086,615 -0.136,616 -0.096,617 -0.146,618 -0.022,619 0.074,620 -0.081,621 0.016,622 0.014,623 -0.003,624 -0.078,625 -0.12,626 0.131,627 0.048,628 -0.1,629 0.11,630 0.236,631 0.135,632 0.022,633 0.065,634 0.177,635 -0.028,636 -0.074,637 -0.109,639 -0.079,640 -0.013,641 -0.042,642 4.196,643 4.707,644 0.778,645 23.3,646 1.014,647 1.121,648 2.912,649 8.483,650 0.697,651 3.434,652 3.784,653 4.007,654 4.263,655 4.443,656 4.466,657 4.595,658 4.682,659 4.718,660 4.812,661 6.676,662 0.669,663 382.48,664 3.434,665 4.99,666 5.832,667 6.718,668 7.574,669 8.459,670 9.32,671 10.203,672 11.067,673 11.948,674 8.9,682 2,684 2,690 9,691 2,695 7,697 18,709 2,714 1,716 45,718 20,719 2,720 30,722 48,723 19,724 16,725 5,726 7,728 4,729 5,735 1,738 1,740 16,741 3,744 2,747 1,749 2,757 1,760 18,761 7,762 2,763 8,764 1,769 4,775 0.75,776 3,788 1,793 1,794 3,797 1,819 3,821 1,823 1,827 27,830 1,833 2,834 2,835 1,850 6.7,853 2,855 1,858 13.583,859 8.317,860 5.722,861 2.494,863 3.642,864 1.479,865 1.025,866 4.726,867 11.245,868 3.738,869 4.388,870 4.877,871 5.423,872 5.937,873 6.075,874 6.455,875 6.771,876 7.112,877 7.478,878 0.857,879 40,880 10.116,881 4.528,882 7.873,883 18.881,884 15.73,885 2.373,886 64.083,889 1,890 188.338,891 124.941,892 69.593,894 55.313,896 6.046,897 118.895,898 243.65,899 69.593,900 7.19,901 7.127,902 81.856,903 89.655,904 71.562,905 4.227,906 176.567,908 188.338,909 188.487,910 55.313,911 6.046,913 164.795,914 78.855,917 54.095,918 100.821,919 39.617,921 188.338,922 124.905,923 124.941,925 6.046,926 188.338,927 26.847,928 92.048,929 36.022,930 88.884,931 188.338,932 124.905,933 124.941,935 0.59,936 0.33,937 0.176,938 0.093,939 22,940 9,941 0.104,942 5,943 1,944 1.095,945 3.933,946 230.739,947 0.095,948 21,949 126.382,953 1,954 17.774,955 7.18,956 4.047,958 124.905,959 15.888,960 8.64,964 4.679,966 36.022,967 438.184,968 41,971 -3.279,973 23.414,980 45.651,981 50.448,983 0.318,984 0.667,985 0.835,986 0.94,987 0.956,988 0.956,989 4.98,990 1.503,991 5.849,992 4.305,993 4.466,994 5.075,995 3.022,996 6.681,997 4.331,998 6.224,999 1.191,1000 7.425,1001 3.656,1002 4.205,1003 5.121,1005 7.803,1006 3.918,1007 7.573,1008 1.11,1009 9.112,1010 2.645,1011 6.129,1012 7.381,1013 5.035,1014 10.806,1015 5.826,1016 8.962,1017 1,1018 10.869,1019 2.528,1020 6.673,1021 8.225,1023 12.746,1024 6.191,1025 10.386,1026 0.657,1027 12.672,1028 2.234,1029 8.113,1030 10.02,1031 7.185,1032 15.337,1033 7.606,1034 11.835,1036 14.507,1037 1.679,1038 9.009,1039 11.217,1041 17.583,1042 8.328,1043 13.303,1044 -0.044,1045 16.366,1047 10.271,1048 12.838,1049 9.348,1050 20.058,1051 9.539,1052 3.32,1053 -0.601,1054 18.244,1055 -0.115,1056 11.321,1057 14.201,1059 22.42,1060 10.432,1061 3.061,1062 11.69,1063 20.135,1064 -1.448,1065 12.519,1066 15.755,1067 11.511,1068 24.864,1069 11.554,1070 2.734,1071 10.261,1072 22.038,1073 4.665,1074 13.638,1075 17.199,1077 27.272,1078 12.531,1079 2.44,1080 8.054,1081 23.95,1082 4.045,1083 14.816,1084 18.729,1085 13.675,1086 29.71,1087 13.615,1088 2.118,1089 7.174,1090 25.869,1091 3.692,1092 15.966,1093 20.213,1095 32.138,1096 14.634,1097 1.826,1098 6.24,1099 27.794,1100 3.391,1101 17.14,1102 21.737,1103 15.838,1104 34.579,1105 15.703,1106 1.548,1107 5.363,1108 29.724,1109 2.721,1110 18.306,1111 23.244,1113 37.016,1114 16.743,1115 8936,1116 15614,1117 20.167,1118 31.364,1119 45.042,1120 47.615,1121 45.188,1122 45.121,1123 45.013,1124 60.908,1125 9.22,1126 131.656,1127 42.114,1128 5.662,1129 7.18,1130 6.681,1131 5.27,1132 5.32,1133 7.665,1134 5.9,1135 18.669,1136 4.937,1137 11.843,1138 1.501,1139 1.587,1140 1.506,1141 1.504,1142 1.5,1143 2.03,1144 0.307,1145 4.389,1146 1.404,1147 4.086,1148 4.078,1149 4.735,1150 4.092,1151 7.716,1152 3.994,1153 3.996,1154 4.008,1155 3.959,1156 3.906,1157 6.999,1158 3.908,1159 3.817,1160 3.858,1161 3.811,1162 3.662,1163 5.036,1164 3.667,1165 3.636,1166 3.639,1167 3.657,1168 3.556,1169 4.854,1170 3.507,1171 3.386,1172 3.444,1173 3.248,1174 3.232,1175 4.685,1176 3.225,1177 3.101,1178 3.178,1179 3.01,1180 2.896,1181 4.312,1182 2.914,1183 2.984,1184 3.059,1185 2.872,1186 2.804,1187 4.094,1188 2.812,1189 2.782,1190 2.871,1191 2.584,1192 2.623,1193 3.971,1194 2.602,1195 0.16,1196 0.173,1197 0.237,1198 0.14,1199 0.111,1200 4.805,1201 0.156,1202 5.18,1203 0.098,1204 7.116,1205 0.39,1206 4.187,1207 0.098,1208 3.32,1209 4.665,1210 2.95,1211 11.69,1212 2.937,1213 1.976,1214 1.987,1215 2.001,1216 2.058,1217 1.216,1218 2.083,1219 1.895,1220 1.87,1221 1.983,1222 1.995,1223 1.185,1224 1.999,1225 1.718,1226 1.677,1227 1.806,1228 1.878,1229 0.915,1230 1.877,1231 1.541,1232 1.545,1233 1.674,1234 1.676,1235 0.837,1236 1.728,1237 1.413,1238 1.357,1239 1.585,1240 1.64,1241 0.758,1242 1.653,1243 1.028,1244 0.957,1245 1.235,1246 1.281,1247 0.275,1248 1.275,1249 0.911,1250 0.855,1251 1.138,1252 1.158,1253 0.24,1254 1.161,1255 0.857,1256 0.805,1257 1.106,1258 1.095,1259 0.204,1260 1.095,1261 4.111,1263 5.451,1264 2.398,1265 6.974,1266 4.595,1267 8.579,1268 6.605,1269 10.225,1271 1.174,1277 1.583,1278 6.291,1279 5.694,1289 30.105,1290 78.609,1291 164.953,1292 206.379,1293 232.379,1294 236.379,1295 236.379,1296 44.266,1297 7.603,1298 93.21,1299 101.59,1300 23,1301 12.487,1302 4.392,1303 3.585,1304 40.329,1305 110,1306 82,1307 0.179,1308 187.402,1309 320.24,1310 449.02,1311 22729,1313 18.855,1314 0.698,1315 0.572,1316 19.105,1317 15.454,1318 12.987,1319 0.433,1320 0.343,1321 8.45,1322 11.716,1323 8.086,1324 6.689,1325 13.882,1326 10.3,1327 12.511,1328 0.291,1329 0.191,1330 13.899,1331 8.224,1332 9.675,1333 0.179,1334 0.097,1335 10.418,1336 5.261,1337 8.215,1338 0.117,1339 0.051,1340 8.743,1341 3.541,1342 6.473,1343 0.077,1344 0.027,1345 6.959,1346 2.298,1347 0.284,1348 90.454,1349 0.223,1350 26.049,1351 0.481,1352 146,1353 458.023,1354 194.607,1355 462.142,1356 630.01,1357 428,1358 170,1359 444.968,1360 223.7,1361 480.88,1362 695.5,1363 450,1364 5.85}
{0 CHEMBL1270773,1 1.82,2 10.556,3 3.263,4 10.648,5 100.374,6 9.082,7 0.733,8 3.886,9 3.974,10 3.763,11 3.477,12 5.066,13 3.463,14 4.371,15 4.489,16 4.032,17 3.821,18 5.787,19 3.809,20 4.558,21 4.721,22 3.984,23 3.871,24 5.818,25 3.84,26 4.551,27 4.73,28 3.911,29 3.799,30 5.765,31 3.761,32 4.509,33 4.718,34 3.79,35 3.737,36 5.716,37 3.687,38 4.408,39 4.603,40 3.784,41 3.668,42 5.577,43 3.632,44 4.352,45 4.553,46 3.745,47 3.605,48 5.65,49 3.554,50 4.227,51 4.433,52 3.583,53 3.484,54 5.4,55 3.425,56 0.136,57 0.684,58 7.933,59 3.888,60 15.21,61 3.642,62 0.414,63 1.062,64 14.7,65 6.402,66 48.305,67 6.469,68 0.496,69 1.207,70 18.636,71 7.155,72 52.292,73 7.283,74 0.508,75 1.182,76 18.876,77 7.164,78 47.335,79 7.801,80 0.552,81 1.128,82 20.209,83 6.762,84 47.948,85 7.78,86 0.415,87 1.03,88 16.725,89 5.99,90 45.808,91 7.054,92 0.526,93 0.974,94 15.22,95 5.55,96 46.668,97 6.791,98 0.341,99 0.87,100 15.055,101 5.251,102 28.786,103 6.038,104 11,105 43,106 0.311,107 0.617,108 0.771,109 0.877,110 0.893,111 0.893,112 3.34,113 0.988,114 -3.9,115 -3.86,116 -3.66,118 42.9,123 1,138 8,140 3,141 1,142 1,143 1,146 1,148 1,155 1,167 4,170 3,171 3,173 3,175 4,178 4,182 7,184 1,186 2,188 1,192 9,195 2,196 1,197 3,199 1,203 1,204 6,206 2,211 1,214 1,215 5,220 3,223 3,227 5,228 1,231 1,233 2,235 1,239 1,240 1,243 1,245 2,247 3,252 4,255 2,260 3,264 1072,265 18.074,266 18.074,267 18.074,268 18.074,269 18.074,270 15.168,271 22.126,272 10.606,273 18.628,274 14.872,275 14.872,276 14.872,277 14.872,278 14.872,279 10.507,280 40.905,281 5.068,282 15.825,283 3.572,284 1.779,285 0.875,286 0.256,287 0.161,288 0.161,289 4.037,292 1,293 1,294 1,295 623,296 3.391,299 58.716,300 247.181,303 109.572,307 1.753,308 32.357,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 59.5,320 285,321 4.805,322 5.18,323 7.116,324 4.187,325 3.32,326 4.665,327 2.95,328 11.69,329 2.992,330 4.517,331 3.123,332 6.521,333 4.038,334 3.061,335 4.46,336 0.4,337 10.261,338 2.858,339 4.107,340 2.9,341 5.7,342 3.659,343 2.734,344 3.704,345 0.4,346 8.054,347 2.523,348 3.848,349 2.689,350 5.419,351 3.396,352 2.44,353 3.395,355 7.174,356 2.319,357 3.515,358 2.459,359 5.15,360 3.061,361 2.118,362 2.894,364 6.24,365 1.993,366 3.244,367 2.138,368 4.825,369 2.779,370 1.826,371 2.521,373 5.363,374 1.734,375 3.048,376 1.859,377 4.459,378 2.544,379 1.548,380 2.321,382 4.305,383 1.542,384 2.973,385 1.548,386 4.101,387 2.466,388 1.503,389 2.152,391 3.656,392 1.441,393 2.666,394 1.307,395 3.511,396 2.135,397 1.191,398 1.742,400 2.645,401 1.122,402 2.609,403 1.196,404 3.481,405 2.098,406 1.11,407 1.652,409 2.528,410 1.093,411 2.5,412 1,413 3.412,414 1.971,415 1,416 1.5,417 2.234,418 0.969,419 2.09,420 0.723,421 3.251,422 1.605,423 0.657,424 0.921,425 1.679,426 0.621,427 1.312,428 0.663,429 2.916,430 0.94,435 1.275,436 0.154,437 2.756,438 0.904,439 -0.044,440 -0.057,441 -0.115,442 -0.042,443 1,444 0.063,445 2.704,446 0.356,447 -0.601,448 -0.819,449 -1.448,450 -0.571,451 12.833,452 0.475,453 0.771,454 0.029,455 42.5,456 1.574,457 24,458 0.889,459 18.5,460 0.685,461 16.564,462 0.613,463 27.967,464 0.666,465 30.804,466 1.141,467 8.285,468 0.307,469 4.702,470 0.174,471 0.091,472 0.065,473 0.273,478 0.705,479 1.316,480 0.782,481 1.156,482 0.701,483 0.848,484 0.746,485 1.063,486 1.012,487 1.117,488 0.596,489 0.934,490 1.22,491 1.146,492 1.086,493 1.006,494 1.24,495 1.018,496 1.138,497 1.103,498 0.978,499 1.012,500 1.044,501 1.067,502 0.946,503 0.938,504 1.008,505 0.866,506 0.82,507 0.937,508 0.998,509 1.105,510 0.792,511 0.891,512 0.971,513 0.936,514 0.634,515 0.938,516 0.787,517 0.778,518 0.514,519 0.923,520 0.904,521 0.949,522 0.984,523 0.976,524 0.758,525 0.982,526 6.5,527 0.123,528 2.667,529 1.813,530 1.156,531 0.635,532 0.494,533 0.325,534 0.246,535 0.151,536 9477,537 31205,538 2.11,539 35.7,541 11,543 2,544 2,549 1.698,550 1.988,551 3.39,552 0.341,553 1,554 1,558 76.451,559 1.82,560 3.613,561 4.517,562 5.136,563 5.231,564 5.231,565 2.732,566 4.431,567 4.732,568 3.599,569 1263.38,570 8.197,571 16565.6,572 1,573 1,575 1,576 226.477,577 1.481,578 4.685,579 0.217,580 0.006,581 0.062,582 0.045,583 0.032,584 0.019,585 0.015,586 0.011,587 0.01,588 0.007,589 0.425,590 0.33,591 1,592 0.704,593 134.799,594 -0.012,595 -0.18,596 0.18,597 -0.076,598 -0.178,599 0.019,600 0.173,601 0.02,602 -0.077,603 -0.108,604 0.25,605 -0.058,606 -0.224,607 -0.122,608 -0.184,609 -0.075,610 -0.173,611 -0.111,612 -0.137,613 -0.121,614 -0.091,615 -0.108,616 -0.115,617 -0.128,618 -0.043,619 0.069,620 -0.08,621 0.038,622 -0.011,623 0.028,624 -0.105,625 -0.135,626 0.068,627 -0.007,628 -0.128,629 0.032,630 0.246,631 0.08,632 0.084,633 0.09,634 0.195,635 0.023,636 -0.062,637 0.063,638 -0.002,639 -0.022,640 -0.01,641 0.002,642 4.208,643 4.697,644 0.778,645 23.3,646 1.023,647 1.122,648 2.673,649 7.143,650 0.711,651 3.434,652 3.784,653 4.007,654 4.263,655 4.443,656 4.466,657 4.595,658 4.682,659 4.718,660 4.812,661 6.676,662 0.692,663 381.45,664 3.434,665 4.99,666 5.832,667 6.718,668 7.574,669 8.459,670 9.32,671 10.203,672 11.067,673 11.948,674 11.9,682 2,684 3,689 2,690 10,691 3,693 1,695 5,697 22,709 2,716 42,718 24,719 2,720 30,722 45,723 18,724 17,725 5,726 7,728 4,729 5,740 17,741 1,744 2,747 1,749 2,756 1,757 1,760 15,761 8,762 2,763 9,764 1,769 5,775 0.75,776 3,780 1,788 1,793 1,794 3,797 1,819 3,821 1,823 1,827 27,830 1,834 2,850 7.1,853 2,855 1,858 13.583,859 7.85,860 5.722,861 2.208,863 4.434,864 1.583,865 1.034,866 4.52,867 12.037,868 3.784,869 4.469,870 5.015,871 5.612,872 6.111,873 6.341,874 6.756,875 7.126,876 7.35,877 7.748,878 0.857,879 40,880 10.072,881 4.506,882 7.948,883 18.532,884 15.228,885 2.448,886 66.083,889 1,890 153.024,891 127.676,892 86.378,894 53.82,896 6.046,897 121.63,898 206.845,899 86.378,900 7.19,902 81.856,903 129.522,904 63.785,905 9.063,906 129.482,908 153.024,909 208.008,910 53.82,911 6.046,913 153.024,914 53.82,917 60.423,918 97.229,919 56.403,921 153.024,922 140.198,923 127.676,925 6.046,926 153.024,927 18.272,928 103.358,929 36.022,930 104.177,931 153.024,932 140.198,933 127.676,935 0.59,936 0.33,937 0.176,938 0.093,939 22,940 9,941 0.111,942 5,943 1,944 1.095,945 3.933,946 230.739,947 0.095,948 21,949 126.382,953 1,954 17.465,955 6.988,956 3.92,957 1.372,958 140.198,959 16.752,960 12.696,962 5.403,964 2.408,966 36.022,967 420.899,968 43,971 -3.291,973 23.393,980 42.985,981 47.116,983 0.338,984 0.67,985 0.838,986 0.953,987 0.97,988 0.97,989 5.014,990 1.503,991 5.849,992 4.305,993 4.466,994 5.156,995 2.947,996 6.681,997 4.343,998 6.271,999 1.191,1000 7.425,1001 3.656,1002 4.205,1003 5.198,1005 7.803,1006 3.93,1007 7.623,1008 1.11,1009 9.112,1010 2.645,1011 6.129,1012 7.514,1013 5.028,1014 10.806,1015 5.849,1016 9.018,1017 1,1018 10.869,1019 2.528,1020 6.673,1021 8.376,1023 12.746,1024 6.223,1025 10.446,1026 0.657,1027 12.672,1028 2.234,1029 8.113,1030 10.199,1031 7.185,1032 15.337,1033 7.646,1034 11.899,1036 14.507,1037 1.679,1038 9.009,1039 11.422,1041 17.583,1042 8.383,1043 13.373,1044 -0.044,1045 16.366,1047 10.271,1048 13.059,1049 9.348,1050 20.058,1051 9.601,1052 3.32,1053 -0.601,1054 18.244,1055 -0.115,1056 11.321,1057 14.446,1059 22.42,1060 10.512,1061 3.061,1062 11.69,1063 20.135,1064 -1.448,1065 12.519,1066 16.01,1067 11.511,1068 24.864,1069 11.643,1070 2.734,1071 10.261,1072 22.038,1073 4.665,1074 13.638,1075 17.47,1077 27.272,1078 12.638,1079 2.44,1080 8.054,1081 23.95,1082 4.46,1083 14.816,1084 19.006,1085 13.675,1086 29.71,1087 13.733,1088 2.118,1089 7.174,1090 25.869,1091 3.704,1092 15.966,1093 20.5,1095 32.138,1096 14.769,1097 1.826,1098 6.24,1099 27.794,1100 3.395,1101 17.14,1102 22.027,1103 15.838,1104 34.579,1105 15.851,1106 1.548,1107 5.363,1108 29.724,1109 2.894,1110 18.306,1111 23.537,1113 37.016,1114 16.907,1115 8936,1116 16377,1117 20.167,1118 29.847,1119 45.442,1120 47.07,1121 45.188,1122 45.159,1123 45.013,1124 63.856,1125 7.5,1126 131.656,1127 42.413,1128 5.605,1129 7.18,1130 6.681,1131 5.266,1132 5.32,1133 7.665,1134 5.9,1135 18.669,1136 4.992,1137 11.843,1138 1.515,1139 1.569,1140 1.506,1141 1.505,1142 1.5,1143 2.129,1144 0.25,1145 4.389,1146 1.414,1147 4.1,1148 4.111,1149 4.735,1150 4.092,1151 7.716,1152 3.999,1153 4.057,1154 4.045,1155 4.052,1156 3.943,1157 6.999,1158 3.955,1159 3.826,1160 3.868,1161 3.827,1162 3.663,1163 5.238,1164 3.67,1165 3.637,1166 3.639,1167 3.66,1168 3.556,1169 5.013,1170 3.507,1171 3.34,1172 3.382,1173 3.261,1174 3.128,1175 4.687,1176 3.157,1177 3.107,1178 3.182,1179 3.02,1180 2.901,1181 4.429,1182 2.92,1183 2.989,1184 3.064,1185 2.881,1186 2.813,1187 4.129,1188 2.821,1189 2.782,1190 2.871,1191 2.584,1192 2.624,1193 3.971,1194 2.602,1195 0.16,1196 0.173,1197 0.237,1198 0.14,1199 0.111,1200 4.805,1201 0.156,1202 5.18,1203 0.098,1204 7.116,1205 0.39,1206 4.187,1207 0.1,1208 3.32,1209 4.665,1210 2.95,1211 11.69,1212 2.992,1213 1.976,1214 1.987,1215 2.001,1216 2.063,1217 1.216,1218 2.084,1219 1.91,1220 1.888,1221 1.981,1222 2.014,1223 1.094,1224 2.017,1225 1.716,1226 1.675,1227 1.797,1228 1.886,1229 0.841,1230 1.878,1231 1.541,1232 1.545,1233 1.585,1234 1.674,1235 0.768,1236 1.726,1237 1.24,1238 1.207,1239 1.374,1240 1.559,1241 0.296,1242 1.499,1243 1.02,1244 0.952,1245 1.231,1246 1.276,1247 0.261,1248 1.268,1249 0.901,1250 0.868,1251 1.097,1252 1.145,1253 0.204,1254 1.136,1255 0.852,1256 0.778,1257 1.077,1258 1.09,1259 0.14,1260 1.084,1261 4.111,1263 5.451,1264 2.398,1265 6.974,1266 4.595,1267 8.579,1268 6.605,1269 10.225,1271 1.164,1278 6.186,1289 29.073,1290 76.451,1291 151.748,1292 189.722,1293 215.722,1294 219.722,1295 219.722,1296 43.021,1297 7.603,1298 110.01,1299 118.39,1300 23,1301 12.487,1302 4.644,1303 3.807,1304 40.329,1305 110,1306 82,1307 0.179,1308 181.676,1309 300.4,1310 435.05,1311 22729,1313 18.855,1314 0.698,1315 0.558,1316 19.105,1317 15.065,1318 12.987,1319 0.433,1320 0.329,1321 8.012,1322 11.655,1323 7.667,1324 6.373,1325 13.882,1326 9.875,1327 12.511,1328 0.291,1329 0.182,1330 13.899,1331 7.837,1332 9.675,1333 0.179,1334 0.091,1335 10.418,1336 4.903,1337 8.215,1338 0.117,1339 0.046,1340 8.743,1341 3.212,1342 6.473,1343 0.077,1344 0.025,1345 6.959,1346 2.102,1347 0.284,1348 90.909,1349 0.223,1350 26.049,1351 0.481,1352 146,1353 487.668,1354 196.438,1355 491.204,1356 669.07,1357 454,1358 170,1359 477.342,1360 225.587,1361 513.514,1362 740.75,1363 479,1364 5.87}
{0 CHEMBL1270874,1 1.82,2 10.556,3 3.263,4 10.648,5 100.374,6 9.082,7 0.733,8 3.886,9 3.974,10 3.763,11 3.477,12 5.066,13 3.463,14 4.371,15 4.489,16 4.032,17 3.821,18 5.787,19 3.809,20 4.558,21 4.721,22 3.98,23 3.872,24 5.816,25 3.84,26 4.548,27 4.732,28 3.911,29 3.804,30 5.764,31 3.762,32 4.509,33 4.718,34 3.786,35 3.738,36 5.713,37 3.687,38 4.406,39 4.603,40 3.784,41 3.671,42 5.577,43 3.633,44 4.351,45 4.554,46 3.744,47 3.601,48 5.647,49 3.553,50 4.23,51 4.431,52 3.589,53 3.482,54 5.409,55 3.424,56 0.136,57 0.684,58 7.933,59 3.888,60 15.21,61 3.642,62 0.414,63 1.062,64 14.7,65 6.402,66 48.208,67 6.469,68 0.487,69 1.214,70 18.679,71 7.196,72 52.569,73 7.267,74 0.499,75 1.192,76 18.681,77 7.016,78 46.557,79 7.848,80 0.543,81 1.135,82 20.253,83 6.804,84 47.976,85 7.764,86 0.42,87 1.033,88 16.641,89 5.899,90 45.746,91 7.083,92 0.488,93 0.981,94 15.164,95 5.619,96 46.015,97 6.77,98 0.382,99 0.852,100 15.15,101 5.231,102 29.473,103 6.046,104 11,105 43,106 0.311,107 0.617,108 0.771,109 0.877,110 0.893,111 0.893,112 3.34,113 0.988,114 -3.9,115 -3.86,116 -3.66,118 42.9,123 1,138 8,140 3,141 1,142 1,143 1,146 1,148 1,155 1,167 4,170 3,171 3,173 3,175 4,178 4,182 7,184 1,186 2,188 1,192 9,195 2,196 1,197 3,199 1,203 1,204 6,206 2,211 1,214 1,215 5,220 3,223 3,227 5,228 1,231 1,233 2,235 1,239 1,240 1,243 1,245 2,247 3,252 4,255 2,260 3,264 1072,265 18.074,266 18.074,267 18.074,268 18.074,269 18.074,270 15.168,271 22.126,272 10.606,273 18.624,274 14.872,275 14.872,276 14.872,277 14.872,278 14.872,279 10.507,280 40.905,281 5.068,282 15.822,283 3.572,284 1.779,285 0.875,286 0.256,287 0.161,288 0.161,289 4.037,292 1,293 1,294 1,295 623,296 3.391,299 58.716,300 247.181,303 109.572,307 1.753,308 32.317,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 59.5,320 285,321 4.805,322 5.18,323 7.116,324 4.187,325 3.32,326 4.665,327 2.95,328 11.69,329 2.98,330 4.517,331 3.123,332 6.521,333 4.034,334 3.061,335 4.46,336 0.4,337 10.261,338 2.858,339 4.107,340 2.9,341 5.7,342 3.66,343 2.734,344 3.704,345 0.4,346 8.054,347 2.525,348 3.848,349 2.689,350 5.419,351 3.398,352 2.44,353 3.395,355 7.174,356 2.324,357 3.515,358 2.459,359 5.15,360 3.073,361 2.118,362 2.894,364 6.24,365 2.022,366 3.244,367 2.138,368 4.825,369 2.786,370 1.826,371 2.521,373 5.363,374 1.745,375 3.048,376 1.859,377 4.459,378 2.522,379 1.548,380 2.321,382 4.305,383 1.506,384 2.973,385 1.548,386 4.101,387 2.467,388 1.503,389 2.152,391 3.656,392 1.441,393 2.666,394 1.307,395 3.511,396 2.136,397 1.191,398 1.742,400 2.645,401 1.122,402 2.609,403 1.196,404 3.481,405 2.098,406 1.11,407 1.652,409 2.528,410 1.093,411 2.5,412 1,413 3.412,414 1.97,415 1,416 1.5,417 2.234,418 0.968,419 2.09,420 0.723,421 3.251,422 1.608,423 0.657,424 0.921,425 1.679,426 0.623,427 1.312,428 0.663,429 2.916,430 0.94,435 1.275,436 0.154,437 2.756,438 0.904,439 -0.044,440 -0.057,441 -0.115,442 -0.042,443 1,444 0.063,445 2.704,446 0.356,447 -0.601,448 -0.819,449 -1.448,450 -0.571,451 12.833,452 0.475,453 0.771,454 0.029,455 42.5,456 1.574,457 24,458 0.889,459 18.5,460 0.685,461 16.545,462 0.613,463 27.967,464 0.666,465 30.823,466 1.142,467 8.285,468 0.307,469 4.702,470 0.174,471 0.091,472 0.065,473 0.273,478 0.705,479 1.316,480 0.782,481 1.156,482 0.701,483 0.848,484 0.746,485 1.063,486 1.012,487 1.117,488 0.594,489 0.934,490 1.255,491 1.141,492 1.092,493 1.002,494 1.246,495 1.016,496 1.016,497 1.127,498 0.963,499 1.011,500 1.027,501 1.07,502 0.982,503 0.933,504 1.014,505 0.861,506 0.828,507 0.935,508 0.914,509 1.13,510 0.783,511 0.887,512 0.958,513 0.937,514 0.696,515 0.893,516 0.79,517 0.795,518 0.521,519 0.925,520 0.887,521 0.978,522 0.983,523 0.968,524 0.755,525 0.981,526 6.5,527 0.123,528 2.667,529 1.813,530 1.156,531 0.635,532 0.494,533 0.325,534 0.246,535 0.151,536 9477,537 31277,538 2.11,539 35.7,541 11,543 2,544 2,549 1.698,550 1.988,551 3.39,552 0.341,553 1,554 1,558 76.451,559 1.82,560 3.613,561 4.517,562 5.136,563 5.231,564 5.231,565 2.732,566 4.431,567 4.732,568 3.599,569 1263.38,570 8.197,571 16565.6,572 1,573 1,575 1,576 226.477,577 1.481,578 4.685,579 0.217,580 0.006,581 0.062,582 0.045,583 0.032,584 0.019,585 0.015,586 0.011,587 0.01,588 0.007,589 0.425,590 0.33,591 1,592 0.704,593 134.799,594 -0.012,595 -0.18,596 0.18,597 -0.076,598 -0.178,599 0.019,600 0.173,601 0.02,602 -0.077,603 -0.108,604 0.252,605 -0.058,606 -0.259,607 -0.116,608 -0.19,609 -0.071,610 -0.179,611 -0.109,612 -0.084,613 -0.129,614 -0.083,615 -0.113,616 -0.107,617 -0.13,618 -0.08,619 0.075,620 -0.087,621 0.043,622 -0.019,623 0.031,624 -0.06,625 -0.15,626 0.073,627 -0.006,628 -0.12,629 0.031,630 0.182,631 0.127,632 0.081,633 0.072,634 0.188,635 0.021,636 0.004,637 0.022,638 0.003,639 -0.01,640 -0.002,641 0.003,642 4.207,643 4.697,644 0.778,645 23.3,646 1.023,647 1.122,648 2.673,649 7.143,650 0.711,651 3.434,652 3.784,653 4.007,654 4.263,655 4.443,656 4.466,657 4.595,658 4.682,659 4.718,660 4.812,661 6.676,662 0.692,663 381.45,664 3.434,665 4.99,666 5.832,667 6.718,668 7.574,669 8.459,670 9.32,671 10.203,672 11.067,673 11.948,674 11.9,682 2,684 3,689 2,690 10,691 3,693 1,695 5,697 22,709 2,716 42,718 24,719 2,720 30,722 45,723 18,724 17,725 5,726 7,728 4,729 5,740 17,741 1,744 2,747 1,749 2,756 1,757 1,760 15,761 8,762 2,763 9,764 1,769 5,775 0.75,776 3,780 1,788 1,793 1,794 3,797 1,819 3,821 1,823 1,827 27,830 1,834 2,850 7.1,853 2,855 1,858 13.583,859 7.85,860 5.722,861 2.208,863 4.434,864 1.583,865 1.034,866 4.52,867 12.037,868 3.784,869 4.469,870 5.015,871 5.612,872 6.111,873 6.341,874 6.756,875 7.126,876 7.35,877 7.748,878 0.857,879 40,880 10.072,881 4.505,882 7.948,883 18.532,884 15.228,885 2.448,886 66.083,889 1,890 153.024,891 127.676,892 86.378,894 53.82,896 6.046,897 121.63,898 206.845,899 86.378,900 7.19,902 81.856,903 129.522,904 63.785,905 9.063,906 129.482,908 153.024,909 208.008,910 53.82,911 6.046,913 153.024,914 53.82,917 60.423,918 97.229,919 56.403,921 153.024,922 140.198,923 127.676,925 6.046,926 153.024,927 18.272,928 103.358,929 36.022,930 104.177,931 153.024,932 140.198,933 127.676,935 0.59,936 0.33,937 0.176,938 0.093,939 22,940 9,941 0.111,942 5,943 1,944 1.095,945 3.933,946 230.739,947 0.095,948 21,949 126.382,953 1,954 17.465,955 6.988,956 3.92,957 1.372,958 140.198,959 16.737,960 12.772,962 5.292,964 2.443,966 36.022,967 420.899,968 43,971 -3.291,973 23.394,980 42.985,981 47.116,983 0.338,984 0.67,985 0.838,986 0.953,987 0.97,988 0.97,989 5.014,990 1.503,991 5.849,992 4.305,993 4.466,994 5.156,995 2.947,996 6.681,997 4.343,998 6.271,999 1.191,1000 7.425,1001 3.656,1002 4.205,1003 5.198,1005 7.803,1006 3.93,1007 7.623,1008 1.11,1009 9.112,1010 2.645,1011 6.129,1012 7.514,1013 5.028,1014 10.806,1015 5.848,1016 9.018,1017 1,1018 10.869,1019 2.528,1020 6.673,1021 8.376,1023 12.746,1024 6.219,1025 10.446,1026 0.657,1027 12.672,1028 2.234,1029 8.113,1030 10.199,1031 7.185,1032 15.337,1033 7.641,1034 11.899,1036 14.507,1037 1.679,1038 9.009,1039 11.422,1041 17.583,1042 8.374,1043 13.373,1044 -0.044,1045 16.366,1047 10.271,1048 13.059,1049 9.348,1050 20.058,1051 9.591,1052 3.32,1053 -0.601,1054 18.244,1055 -0.115,1056 11.321,1057 14.446,1059 22.42,1060 10.497,1061 3.061,1062 11.69,1063 20.135,1064 -1.448,1065 12.519,1066 16.01,1067 11.511,1068 24.864,1069 11.626,1070 2.734,1071 10.261,1072 22.038,1073 4.665,1074 13.638,1075 17.47,1077 27.272,1078 12.616,1079 2.44,1080 8.054,1081 23.95,1082 4.46,1083 14.816,1084 19.006,1085 13.675,1086 29.71,1087 13.708,1088 2.118,1089 7.174,1090 25.869,1091 3.704,1092 15.966,1093 20.5,1095 32.138,1096 14.74,1097 1.826,1098 6.24,1099 27.794,1100 3.395,1101 17.14,1102 22.027,1103 15.838,1104 34.579,1105 15.819,1106 1.548,1107 5.363,1108 29.724,1109 2.894,1110 18.306,1111 23.537,1113 37.016,1114 16.871,1115 8936,1116 16395,1117 20.167,1118 29.847,1119 45.442,1120 47.07,1121 45.188,1122 45.158,1123 45.013,1124 63.856,1125 7.5,1126 131.656,1127 42.413,1128 5.605,1129 7.18,1130 6.681,1131 5.266,1132 5.32,1133 7.665,1134 5.9,1135 18.669,1136 4.98,1137 11.843,1138 1.515,1139 1.569,1140 1.506,1141 1.505,1142 1.5,1143 2.129,1144 0.25,1145 4.389,1146 1.414,1147 4.1,1148 4.111,1149 4.735,1150 4.092,1151 7.716,1152 3.999,1153 4.057,1154 4.045,1155 4.052,1156 3.943,1157 6.999,1158 3.955,1159 3.827,1160 3.867,1161 3.828,1162 3.663,1163 5.239,1164 3.67,1165 3.637,1166 3.639,1167 3.66,1168 3.556,1169 5.015,1170 3.507,1171 3.341,1172 3.381,1173 3.263,1174 3.127,1175 4.687,1176 3.157,1177 3.105,1178 3.183,1179 3.017,1180 2.901,1181 4.434,1182 2.921,1183 2.989,1184 3.065,1185 2.88,1186 2.813,1187 4.108,1188 2.821,1189 2.782,1190 2.871,1191 2.584,1192 2.624,1193 3.971,1194 2.602,1195 0.16,1196 0.173,1197 0.237,1198 0.14,1199 0.111,1200 4.805,1201 0.156,1202 5.18,1203 0.098,1204 7.116,1205 0.39,1206 4.187,1207 0.099,1208 3.32,1209 4.665,1210 2.95,1211 11.69,1212 2.98,1213 1.976,1214 1.987,1215 2.001,1216 2.063,1217 1.216,1218 2.084,1219 1.911,1220 1.888,1221 1.981,1222 2.014,1223 1.095,1224 2.017,1225 1.716,1226 1.676,1227 1.796,1228 1.887,1229 0.841,1230 1.878,1231 1.541,1232 1.545,1233 1.585,1234 1.674,1235 0.767,1236 1.727,1237 1.239,1238 1.207,1239 1.375,1240 1.56,1241 0.295,1242 1.499,1243 1.021,1244 0.951,1245 1.231,1246 1.274,1247 0.262,1248 1.267,1249 0.902,1250 0.868,1251 1.095,1252 1.141,1253 0.204,1254 1.136,1255 0.854,1256 0.777,1257 1.077,1258 1.092,1259 0.138,1260 1.084,1261 4.111,1263 5.451,1264 2.398,1265 6.974,1266 4.595,1267 8.579,1268 6.605,1269 10.225,1271 1.164,1278 6.199,1289 29.073,1290 76.451,1291 151.748,1292 189.722,1293 215.722,1294 219.722,1295 219.722,1296 42.929,1297 7.603,1298 110.01,1299 118.39,1300 23,1301 12.487,1302 4.644,1303 3.807,1304 40.329,1305 110,1306 82,1307 0.179,1308 181.676,1309 300.4,1310 435.05,1311 22729,1313 18.855,1314 0.698,1315 0.558,1316 19.105,1317 15.065,1318 12.987,1319 0.433,1320 0.329,1321 8.012,1322 11.653,1323 7.668,1324 6.372,1325 13.882,1326 9.875,1327 12.511,1328 0.291,1329 0.182,1330 13.899,1331 7.836,1332 9.675,1333 0.179,1334 0.091,1335 10.418,1336 4.907,1337 8.215,1338 0.117,1339 0.046,1340 8.743,1341 3.214,1342 6.473,1343 0.077,1344 0.025,1345 6.959,1346 2.103,1347 0.284,1348 90.909,1349 0.223,1350 26.049,1351 0.481,1352 146,1353 487.668,1354 196.438,1355 491.171,1356 669.05,1357 454,1358 170,1359 477.342,1360 225.394,1361 513.426,1362 740.52,1363 479,1364 5.754}
{0 CHEMBL1270975,1 1.861,2 11.143,3 4.696,4 22.048,5 109.6,6 9.407,7 0.71,8 3.92,9 4.016,10 3.817,11 3.554,12 5.071,13 3.519,14 4.409,15 4.531,16 4.117,17 3.923,18 5.792,19 3.885,20 4.638,21 4.803,22 4.138,23 3.995,24 5.884,25 3.939,26 4.618,27 4.803,28 4.023,29 3.92,30 5.814,31 3.852,32 4.589,33 4.804,34 3.922,35 3.842,36 5.775,37 3.768,38 4.475,39 4.678,40 3.849,41 3.764,42 5.613,43 3.702,44 4.408,45 4.614,46 3.874,47 3.71,48 5.693,49 3.64,50 4.31,51 4.516,52 3.732,53 3.611,54 5.463,55 3.531,56 0.128,57 0.703,58 7.715,59 3.946,60 15.709,61 3.855,62 0.336,63 1.102,64 14.583,65 6.764,66 45.495,67 7.162,68 0.491,69 1.281,70 21.65,71 8.156,72 55.554,73 8.439,74 0.461,75 1.258,76 21.987,77 7.967,78 47.791,79 8.837,80 0.544,81 1.208,82 23.858,83 7.881,84 50.235,85 9.159,86 0.407,87 1.088,88 20.304,89 6.777,90 49.033,91 7.918,92 0.486,93 1.035,94 16.304,95 6.189,96 47.209,97 7.596,98 0.315,99 0.919,100 17.699,101 5.977,102 30.196,103 6.793,104 18,105 45,106 0.315,107 0.637,108 0.783,109 0.883,110 0.898,111 0.898,112 3.374,113 1.026,114 -4.3,115 -4.24,116 -4,118 43.2,123 1,138 8,139 1,140 4,141 1,143 1,146 1,147 1,148 1,167 5,170 2,171 2,173 3,175 5,178 6,182 4,185 1,186 6,188 3,192 7,195 1,196 1,197 4,199 2,204 6,206 3,208 2,211 3,215 4,220 3,223 3,227 4,228 3,231 1,232 1,233 3,235 2,240 1,245 2,247 3,252 3,255 2,257 3,260 5,264 1158,265 18.574,266 18.574,267 18.574,268 18.574,269 18.574,270 15.623,271 23.727,272 10.779,273 19.23,274 15.34,275 15.34,276 15.34,277 15.34,278 15.34,279 10.898,280 41.546,281 5.139,282 16.525,283 3.598,284 1.698,285 0.835,286 0.244,287 0.154,288 0.154,289 4.069,290 1,293 1,294 1,295 678,296 3.464,299 60.964,300 256.358,303 113.836,307 1.786,308 32.103,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 60.833,320 312,321 4.805,322 5.18,323 7.116,324 4.187,325 3.32,326 4.665,327 2.95,328 11.69,329 3.013,330 4.602,331 3.306,332 6.685,333 4.107,334 3.148,335 4.567,336 0.4,337 10.774,338 2.858,339 4.115,340 2.935,341 5.757,342 3.671,343 2.748,344 3.709,345 0.4,346 8.125,347 2.529,348 3.862,349 2.782,350 5.603,351 3.426,352 2.479,353 3.399,355 7.493,356 2.335,357 3.675,358 2.603,359 5.312,360 3.197,361 2.261,362 3.122,364 6.751,365 2.086,366 3.293,367 2.352,368 4.889,369 2.841,370 1.908,371 2.563,373 5.592,374 1.77,375 3.049,376 2,377 4.467,378 2.525,379 1.551,380 2.323,382 4.319,383 1.508,384 2.978,385 1.618,386 4.333,387 2.472,388 1.511,389 2.157,391 3.714,392 1.444,393 2.725,394 1.54,395 4.096,396 2.224,397 1.307,398 1.817,400 3.688,401 1.151,402 2.655,403 1.302,404 3.509,405 2.123,406 1.179,407 1.726,409 2.635,410 1.102,411 2.608,412 1.191,413 3.48,414 2.097,415 1.109,416 1.652,417 2.527,418 1.087,419 2.29,420 0.912,421 3.349,422 1.77,423 0.848,424 1.202,425 1.983,426 0.763,427 1.343,428 0.663,429 2.936,430 0.953,431 0.029,432 0.037,433 0.076,434 0.026,435 1.287,436 0.292,437 2.825,438 0.938,443 1,444 0.151,445 2.707,446 0.37,447 -0.532,448 -0.686,449 -1.292,450 -0.373,451 13.714,452 0.49,453 0.86,454 0.031,455 42.75,456 1.527,457 24,458 0.857,459 18.75,460 0.67,461 19.035,462 0.68,463 28.886,464 0.656,465 31.463,466 1.124,467 8.259,468 0.295,469 5.139,470 0.184,471 0.137,472 0.061,473 0.292,478 0.653,479 1.244,480 0.691,481 1.016,482 0.687,483 0.788,484 0.654,485 1.107,486 0.861,487 1.063,488 0.561,489 0.922,490 1.235,491 1.127,492 1.015,493 0.985,494 1.193,495 1.008,496 1.121,497 1.152,498 1.002,499 1.026,500 1.023,501 1.084,502 0.896,503 0.939,504 0.901,505 0.874,506 0.772,507 0.932,508 1.068,509 1.121,510 0.866,511 0.889,512 0.993,513 0.941,514 0.56,515 0.893,516 0.681,517 0.773,518 0.474,519 0.905,520 1.029,521 1.047,522 0.977,523 0.953,524 0.779,525 0.958,526 7,527 0.156,528 3.111,529 2.257,530 1.276,531 0.722,532 0.576,533 0.365,534 0.299,535 0.171,536 10316,537 34934,538 2.085,539 36.4,541 11,542 1,543 1,544 3,549 1.708,550 1.942,551 3.451,552 0.988,558 81.895,559 1.861,560 3.761,561 4.624,562 5.215,563 5.306,564 5.306,565 2.88,566 3.941,567 4.784,568 3.649,569 1379.48,570 8.302,571 18521,573 1,576 240.215,577 1.572,578 4.728,579 0.226,580 0.008,581 0.069,582 0.052,583 0.034,584 0.021,585 0.017,586 0.011,587 0.011,588 0.007,589 0.457,590 0.17,591 1,592 0.744,593 141.537,594 -0.013,595 -0.092,596 0.111,597 -0.015,598 -0.181,599 0.052,600 0.173,601 -0.018,602 -0.052,603 -0.103,604 0.249,605 -0.057,606 -0.203,607 -0.103,608 -0.128,609 -0.067,610 -0.152,611 -0.104,612 -0.155,613 -0.149,614 -0.123,615 -0.13,616 -0.119,617 -0.153,618 0.011,619 0.07,620 -0.021,621 0.032,622 0.017,623 0.039,624 -0.163,625 -0.138,626 -0.02,627 -0.007,628 -0.158,629 0.02,630 0.286,631 0.144,632 0.111,633 0.088,634 0.216,635 0.033,636 -0.147,637 -0.036,638 -0.016,639 -0.004,640 -0.035,641 0.018,642 4.209,643 4.722,644 0.75,645 24.643,646 1.02,647 1.12,648 3.069,649 9.418,650 0.728,651 3.466,652 3.829,653 4.06,654 4.317,655 4.511,656 4.533,657 4.673,658 4.754,659 4.804,660 4.883,661 6.851,662 0.698,663 413.92,664 3.466,665 5.03,666 5.878,667 6.77,668 7.633,669 8.523,670 9.393,671 10.282,672 11.154,673 12.042,674 11.4,682 3,684 2,689 2,690 10,691 2,692 1,695 6,697 22,709 2,715 1,716 44,718 24,719 2,720 31,722 47,723 19,724 18,725 5,726 7,728 4,729 5,730 1,740 18,741 1,744 2,747 1,749 2,757 1,760 16,761 6,762 3,763 9,764 2,769 5,775 0.75,776 2,788 1,789 1,793 1,794 3,797 1,819 3,821 1,823 1,824 1,827 28,830 1,834 2,849 1,850 4.5,853 2,858 14.417,859 8.126,860 5.917,861 2.322,863 4.475,864 1.58,865 1.043,866 4.978,867 12.19,868 3.807,869 4.503,870 5.059,871 5.661,872 6.173,873 6.408,874 6.832,875 7.195,876 7.444,877 7.81,878 1,879 43,880 10.447,881 4.683,882 7.924,883 19.321,884 16.048,885 2.424,886 67.861,889 1,890 153.024,891 126.65,892 86.378,893 39.149,894 44.313,896 6.046,897 120.604,898 236.486,899 86.378,900 7.19,902 90.903,903 89.655,904 74.992,905 18.142,906 129.482,907 39.149,908 153.024,909 206.982,910 44.313,911 45.195,913 153.024,914 44.313,917 63.754,918 109.658,919 78.766,921 153.024,922 130.691,923 165.799,925 6.046,926 153.024,927 19.509,928 101.095,929 52.807,930 117.033,931 153.024,932 130.691,933 165.799,935 0.595,936 0.335,937 0.177,938 0.095,939 23,940 10,941 0.106,942 5,943 1,944 1.095,945 3.975,946 243.702,947 0.095,948 21,949 132.606,953 1,954 18.751,955 7.433,956 4.146,957 1.79,958 113.906,959 17.335,960 8.633,961 3.141,964 3.199,966 52.807,967 449.514,968 44,971 -3.293,973 23.445,980 44.865,981 49.266,983 0.341,984 0.689,985 0.847,986 0.955,987 0.972,988 0.972,989 5.047,990 1.511,991 5.905,992 4.319,993 4.511,994 5.19,995 2.947,996 6.751,997 4.364,998 6.312,999 1.307,1000 7.493,1001 3.714,1002 4.29,1003 5.27,1005 7.888,1006 3.976,1007 7.671,1008 1.179,1009 9.19,1010 3.688,1011 6.188,1012 7.56,1013 5.028,1014 10.902,1015 5.874,1016 9.07,1017 1.109,1018 10.954,1019 2.635,1020 6.758,1021 8.447,1023 12.847,1024 6.263,1025 10.503,1026 0.848,1027 12.763,1028 2.527,1029 8.187,1030 10.26,1031 7.185,1032 15.45,1033 7.677,1034 11.961,1035 0.029,1036 14.602,1037 1.983,1038 9.099,1039 11.503,1041 17.699,1042 8.425,1043 13.439,1045 16.464,1046 0.076,1047 10.358,1048 13.138,1049 9.348,1050 20.182,1051 9.64,1052 3.32,1053 -0.532,1054 18.344,1056 11.418,1057 14.538,1059 22.545,1060 10.559,1061 3.148,1062 11.69,1063 20.237,1064 -1.292,1065 12.616,1066 16.105,1067 11.511,1068 24.993,1069 11.69,1070 2.748,1071 10.774,1072 22.141,1073 4.665,1074 13.741,1075 17.576,1077 27.402,1078 12.691,1079 2.479,1080 8.125,1081 24.053,1082 4.567,1083 14.921,1084 19.117,1085 13.675,1086 29.841,1087 13.789,1088 2.261,1089 7.493,1090 25.972,1091 3.709,1092 16.075,1093 20.62,1095 32.268,1096 14.831,1097 1.908,1098 6.751,1099 27.897,1100 3.399,1101 17.251,1102 22.153,1103 15.838,1104 34.707,1105 15.917,1106 1.551,1107 5.592,1108 29.827,1109 3.122,1110 18.419,1111 23.67,1113 37.142,1114 16.98,1115 9787,1116 18161,1117 20.572,1118 32.012,1119 47.247,1120 49.17,1121 47.576,1122 47.051,1123 46.795,1124 65.879,1125 7.5,1126 138.735,1127 43.345,1128 5.605,1129 7.18,1130 6.671,1131 5.266,1132 5.32,1133 7.665,1134 5.9,1135 18.8,1136 5.013,1137 14.078,1138 1.524,1139 1.586,1140 1.535,1141 1.518,1142 1.51,1143 2.125,1144 0.242,1145 4.475,1146 1.398,1147 4.131,1148 4.161,1149 4.735,1150 4.094,1151 7.716,1152 4.049,1153 4.071,1154 4.054,1155 4.167,1156 4.033,1157 6.999,1158 3.983,1159 3.831,1160 3.874,1161 3.841,1162 3.669,1163 5.093,1164 3.677,1165 3.638,1166 3.64,1167 3.671,1168 3.559,1169 4.997,1170 3.509,1171 3.408,1172 3.462,1173 3.524,1174 3.291,1175 4.688,1176 3.287,1177 3.116,1178 3.193,1179 3.1,1180 2.917,1181 4.536,1182 2.934,1183 3.004,1184 3.077,1185 2.998,1186 2.839,1187 4.186,1188 2.843,1189 2.782,1190 2.871,1191 2.843,1192 2.624,1193 4.082,1194 2.602,1195 0.155,1196 0.167,1197 0.23,1198 0.135,1199 0.107,1200 4.805,1201 0.15,1202 5.18,1203 0.095,1204 7.116,1205 0.377,1206 4.187,1207 0.097,1208 3.32,1209 4.665,1210 2.95,1211 11.69,1212 3.013,1213 1.977,1214 1.987,1215 2.016,1216 2.068,1217 1.216,1218 2.084,1219 1.938,1220 1.915,1221 1.989,1222 2.023,1223 1.156,1224 2.034,1225 1.721,1226 1.68,1227 1.799,1228 1.89,1229 0.842,1230 1.882,1231 1.542,1232 1.546,1233 1.586,1234 1.675,1235 0.775,1236 1.727,1237 1.468,1238 1.42,1239 1.58,1240 1.666,1241 0.625,1242 1.66,1243 1.028,1244 0.966,1245 1.233,1246 1.285,1247 0.282,1248 1.275,1249 1.01,1250 0.954,1251 1.165,1252 1.174,1253 0.273,1254 1.182,1255 0.878,1256 0.801,1257 1.111,1258 1.125,1259 0.204,1260 1.138,1261 4.143,1263 5.493,1264 2.398,1265 7.026,1266 4.727,1267 8.638,1268 6.823,1269 10.292,1271 1.167,1272 6.17,1278 6.273,1289 30.712,1290 81.895,1291 165.486,1292 203.46,1293 229.46,1294 233.46,1295 233.46,1296 47.453,1297 7.715,1298 99.77,1299 108.15,1300 23,1301 12.575,1302 4.644,1303 3.807,1304 42.569,1305 118,1306 92,1307 0.177,1308 195.605,1309 324.12,1310 469.037,1311 26003,1312 2.3,1313 19.725,1314 0.704,1315 0.584,1316 20.475,1317 16.343,1318 13.398,1319 0.432,1320 0.342,1321 8.415,1322 11.903,1323 8.013,1324 6.645,1325 14.581,1326 10.598,1327 13.039,1328 0.29,1329 0.191,1330 14.797,1331 8.603,1332 10.156,1333 0.178,1334 0.097,1335 11.258,1336 5.525,1337 8.533,1338 0.115,1339 0.05,1340 9.351,1341 3.663,1342 6.85,1343 0.076,1344 0.027,1345 7.618,1346 2.434,1347 0.282,1348 95.64,1349 0.22,1350 26.835,1351 0.477,1352 152,1353 472.824,1354 214.304,1355 514.686,1356 692.18,1357 474,1358 178,1359 470.348,1360 241.886,1361 519.643,1362 751.46,1363 486,1364 6.04}
{0 CHEMBL1270976,1 1.911,2 10.586,3 4.376,4 19.149,5 109.177,6 9.411,7 0.563,8 3.974,9 4.053,10 3.864,11 3.55,12 5.12,13 3.534,14 4.499,15 4.621,16 4.175,17 3.907,18 5.868,19 3.899,20 4.654,21 4.792,22 4.218,23 4.015,24 5.913,25 3.985,26 4.709,27 4.861,28 4.238,29 4.021,30 5.939,31 3.981,32 4.774,33 4.96,34 4.176,35 4.01,36 5.989,37 3.948,38 4.693,39 4.893,40 3.982,41 3.893,42 5.813,43 3.824,44 4.551,45 4.77,46 3.95,47 3.75,48 5.79,49 3.686,50 4.361,51 4.543,52 3.741,53 3.648,54 5.517,55 3.576,56 0.167,57 0.705,58 7.921,59 4.425,60 17.162,61 4.206,62 0.631,63 1.111,64 18.067,65 7.382,66 55.974,67 7.26,68 0.612,69 1.255,70 20.858,71 8.232,72 53.68,73 8.261,74 0.691,75 1.307,76 22.18,77 8.623,78 51.62,79 9.12,80 0.863,81 1.327,82 30.547,83 9.612,84 64.183,85 10.742,86 0.738,87 1.244,88 26.756,89 8.367,90 65.593,91 9.588,92 0.73,93 1.077,94 23.511,95 7.494,96 62.106,97 9.433,98 0.459,99 0.93,100 17.011,101 6.281,102 31.113,103 7.117,104 27,105 47,106 0.323,107 0.649,108 0.806,109 0.885,110 0.885,111 0.885,112 3.408,113 1.014,114 -4.03,115 -3.98,116 -3.77,118 41.3,123 2,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 4,171 4,173 2,175 2,178 4,181 1,182 8,186 1,188 2,191 2,192 9,195 1,197 2,203 1,204 8,206 2,211 2,214 1,215 6,223 3,227 5,228 3,231 1,233 2,235 1,239 1,240 2,243 1,245 1,247 1,251 2,252 4,260 4,264 1272,265 19.126,266 19.126,267 19.126,268 19.126,269 19.126,270 16.622,271 27.084,272 10.999,273 19.904,274 15.797,275 15.797,276 15.797,277 15.797,278 15.797,279 11.913,280 43.688,281 5.204,282 17.171,283 3.613,284 1.688,285 0.764,286 0.294,287 0.294,288 0.294,289 4.099,290 1,293 1,294 1,295 665,296 3.742,299 63.945,300 266.436,303 118.99,307 1.698,308 38.045,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 64.333,320 307,321 4.805,322 5.18,323 7.116,324 4.188,325 3.32,326 4.665,327 2.95,328 11.69,329 3.013,330 4.555,331 3.567,332 6.92,333 4.177,334 3.245,335 4.216,336 1.392,337 11.565,338 2.858,339 4.133,340 3.073,341 6.075,342 3.71,343 2.785,344 3.72,345 0.8,346 8.748,347 2.569,348 3.881,349 2.883,350 5.644,351 3.486,352 2.546,353 3.405,354 0.532,355 7.718,356 2.384,357 3.655,358 2.744,359 5.46,360 3.22,361 2.299,362 2.991,363 0.4,364 6.939,365 2.094,366 3.401,367 2.543,368 5.05,369 2.958,370 2.054,371 2.679,373 5.969,374 1.819,375 3.077,376 2.174,377 4.653,378 2.633,379 1.687,380 2.286,382 4.71,383 1.575,384 2.969,385 1.999,386 4.472,387 2.477,388 1.516,389 2.146,391 4.327,392 1.45,393 2.689,394 1.806,395 4.074,396 2.208,397 1.261,398 1.77,400 3.093,401 1.182,402 2.609,403 1.48,404 3.507,405 2.103,406 1.129,407 1.653,409 2.554,410 1.096,411 2.296,412 1.269,413 3.481,414 2.094,415 1.109,416 1.272,417 2.517,418 1.074,419 2.112,420 1.138,421 3.454,422 1.835,423 0.924,424 1.067,425 2.301,426 0.836,427 1.682,428 0.841,429 3.197,430 1.368,431 0.461,432 0.543,433 1.11,434 0.403,435 1.293,436 0.663,437 2.905,438 0.94,443 1.031,444 0.435,445 2.724,446 0.641,447 -0.189,448 -0.216,449 -0.468,450 -0.131,451 13.981,452 0.482,453 0.932,454 0.032,455 43,456 1.483,457 23,458 0.793,459 20,460 0.69,461 21.513,462 0.742,463 31.019,464 0.674,465 33.199,466 1.145,467 8.368,468 0.289,469 5.457,470 0.188,471 0.17,472 0.06,473 0.315,478 0.708,479 1.42,480 0.674,481 1.164,482 0.698,483 0.885,484 0.911,485 0.929,486 0.848,487 0.893,488 0.621,489 0.755,490 1.116,491 1.206,492 0.996,493 1.007,494 1.195,495 0.995,496 1.005,497 1.161,498 0.964,499 1.032,500 0.998,501 1.079,502 0.943,503 1.038,504 1.103,505 0.99,506 0.758,507 1.035,508 1.098,509 1.054,510 1.033,511 0.91,512 0.965,513 1.036,514 0.574,515 0.836,516 0.689,517 0.728,518 0.451,519 0.809,520 0.842,521 1.071,522 0.947,523 1.034,524 0.756,525 1.091,526 7,527 0.139,528 3.556,529 2.5,530 1.817,531 0.976,532 0.638,533 0.384,534 0.317,535 0.247,536 10739,537 37820,538 2.061,539 37,541 13,542 2,543 1,544 1,549 1.719,550 1.902,551 3.385,552 -0.234,554 1,558 87.886,559 1.911,560 3.835,561 4.759,562 5.23,563 5.23,564 5.23,565 2.728,566 4.625,567 4.835,568 3.594,569 1459.12,570 8.416,571 19751.5,573 1,575 1,576 254.084,577 1.636,578 4.769,579 0.219,580 0.006,581 0.076,582 0.053,583 0.04,584 0.023,585 0.018,586 0.011,587 0.011,588 0.01,589 0.468,590 0.33,591 1,592 0.772,593 147.042,594 -0.014,595 -0.258,596 0.124,597 -0.12,598 -0.169,599 -0.016,600 0.079,601 0.168,602 -0.006,603 0.086,604 0.218,605 0.121,606 -0.18,607 -0.145,608 -0.132,609 -0.083,610 -0.16,611 -0.105,612 -0.074,613 -0.131,614 -0.083,615 -0.139,616 -0.114,617 -0.172,618 -0.012,619 -0.047,620 -0.088,621 -0.073,622 0.016,623 -0.068,624 -0.184,625 -0.071,626 -0.107,627 -0.031,628 -0.172,629 -0.068,630 0.266,631 0.157,632 0.202,633 0.157,634 0.243,635 0.192,636 -0.036,637 -0.038,638 -0.093,639 -0.101,640 -0.042,641 -0.13,642 4.232,643 4.762,644 0.724,645 25.168,646 1.028,647 1.122,648 2.798,649 7.827,650 0.71,651 3.497,652 3.871,653 4.127,654 4.394,655 4.595,656 4.625,657 4.762,658 4.804,659 4.86,660 4.934,661 6.675,662 0.688,663 432.92,664 3.497,665 5.069,666 5.927,667 6.828,668 7.703,669 8.602,670 9.485,671 10.383,672 11.269,673 12.166,674 8.7,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 1,714 2,715 1,716 46,718 20,719 2,720 32,722 49,723 19,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 3,744 2,747 1,749 2,757 1,760 17,761 8,762 1,763 10,764 2,769 4,775 0.75,776 4,788 1,793 1,794 3,797 1,819 3,821 1,823 2,824 1,827 29,830 1,833 1,834 1,835 2,838 1,849 1,850 8.7,853 2,855 2,858 15.25,859 8.993,860 6.139,861 2.407,863 3.643,864 1.471,865 1.003,866 5.359,867 11.372,868 3.784,869 4.449,870 4.965,871 5.518,872 6.045,873 6.209,874 6.582,875 6.854,876 7.209,877 7.559,878 0.857,879 47,880 10.841,881 4.845,882 7.961,883 19.941,884 16.379,885 2.461,886 71.361,889 1,890 188.338,891 128.943,892 54.706,893 39.149,894 66.313,896 6.046,897 122.897,898 293.799,899 54.706,900 15.587,901 6.65,902 72.38,903 89.655,904 73.234,905 27.769,906 153.024,907 39.149,908 188.338,909 177.603,910 66.313,911 45.195,913 188.338,914 66.313,917 38.732,918 105.3,919 78.766,921 188.338,922 121.019,923 168.091,925 6.046,926 188.338,927 31.929,928 94.092,929 18.011,930 139.032,931 188.338,932 121.019,933 168.091,935 0.598,936 0.345,937 0.184,938 0.098,939 24,940 11,941 0.102,942 5,943 1,944 1.095,945 3.959,946 261.225,947 0.095,948 21,949 138.881,953 1,954 19.919,955 7.802,956 4.161,958 121.019,959 13.258,960 8.712,964 3.919,966 18.011,967 477.448,968 43,971 -3.315,973 23.525,980 47.302,981 51.601,983 0.346,984 0.694,985 0.862,986 0.947,987 0.947,988 0.947,989 5.047,990 1.516,991 5.964,992 4.71,993 4.554,994 5.136,995 3.183,996 6.834,997 4.387,998 6.302,999 1.261,1000 7.569,1001 4.327,1002 4.369,1003 5.231,1004 0.325,1005 8.009,1006 4.023,1007 7.661,1008 1.129,1009 9.284,1010 3.093,1011 6.252,1012 7.454,1013 5.079,1014 11.054,1015 5.895,1016 9.061,1017 1.109,1018 11.066,1019 2.554,1020 6.858,1021 8.332,1022 0.268,1023 13.022,1024 6.308,1025 10.493,1026 0.924,1027 12.89,1028 2.517,1029 8.275,1030 10.104,1031 7.196,1032 15.656,1033 7.701,1034 11.949,1035 0.461,1036 14.743,1037 2.301,1038 9.211,1039 11.321,1040 0.188,1041 17.921,1042 8.462,1043 13.424,1045 16.617,1046 1.11,1047 10.467,1048 12.93,1049 9.35,1050 20.431,1051 9.664,1052 3.32,1053 -0.189,1054 18.507,1056 11.544,1057 14.303,1058 0.125,1059 22.81,1060 10.589,1061 3.245,1062 11.69,1063 20.409,1064 -0.468,1065 12.746,1066 15.85,1067 11.512,1068 25.28,1069 11.713,1070 2.785,1071 11.565,1072 22.321,1073 4.665,1074 13.883,1075 17.298,1076 0.082,1077 27.703,1078 12.717,1079 2.546,1080 8.748,1081 24.24,1082 4.216,1083 15.068,1084 18.824,1085 13.675,1086 30.161,1087 13.81,1088 2.299,1089 7.718,1090 26.164,1091 3.72,1092 16.231,1093 20.308,1094 0.054,1095 32.602,1096 14.852,1097 2.054,1098 6.939,1099 28.094,1100 3.405,1101 17.413,1102 21.828,1103 15.838,1104 35.056,1105 15.935,1106 1.687,1107 5.969,1108 30.028,1109 2.991,1110 18.589,1111 23.332,1112 0.035,1113 37.504,1114 16.996,1115 10243,1116 19384,1117 20.978,1118 32.676,1119 48.79,1120 51.5,1121 49.829,1122 48.983,1123 48.675,1124 64.824,1125 12.146,1126 146.481,1127 44.705,1128 5.664,1129 7.18,1130 6.667,1131 5.27,1132 5.32,1133 7.665,1134 5.9,1135 19.089,1136 5.013,1137 15.665,1138 1.525,1139 1.609,1140 1.557,1141 1.531,1142 1.521,1143 2.026,1144 0.38,1145 4.578,1146 1.397,1147 4.086,1148 4.076,1149 4.735,1150 4.092,1151 7.716,1152 3.993,1153 3.985,1154 3.992,1155 4.062,1156 3.879,1157 6.999,1158 3.888,1159 3.812,1160 3.844,1161 3.827,1162 3.66,1163 5.076,1164 3.665,1165 3.638,1166 3.64,1167 3.662,1168 3.557,1169 4.982,1170 3.508,1171 3.338,1172 3.398,1173 3.495,1174 3.075,1175 4.71,1176 3.103,1177 3.242,1178 3.293,1179 3.154,1180 3.019,1181 4.682,1182 3.031,1183 3.035,1184 3.115,1185 2.923,1186 2.855,1187 4.162,1188 2.859,1189 2.782,1190 2.871,1191 2.908,1192 2.632,1193 4.042,1194 2.61,1195 0.15,1196 0.162,1197 0.222,1198 0.131,1199 0.104,1200 4.805,1201 0.146,1202 5.18,1203 0.092,1204 7.116,1205 0.365,1206 4.188,1207 0.094,1208 3.32,1209 4.665,1210 2.95,1211 11.69,1212 3.013,1213 1.976,1214 1.987,1215 1.995,1216 2.059,1217 1.216,1218 2.083,1219 1.876,1220 1.858,1221 1.928,1222 1.991,1223 1.087,1224 1.989,1225 1.71,1226 1.674,1227 1.789,1228 1.859,1229 0.846,1230 1.854,1231 1.542,1232 1.546,1233 1.588,1234 1.676,1235 0.798,1236 1.728,1237 1.258,1238 1.184,1239 1.569,1240 1.546,1241 0.603,1242 1.547,1243 1.128,1244 1.073,1245 1.429,1246 1.476,1247 0.572,1248 1.465,1249 1.003,1250 0.932,1251 1.226,1252 1.237,1253 0.269,1254 1.245,1255 0.809,1256 0.782,1257 1.079,1258 1.033,1259 0.204,1260 1.082,1261 4.174,1263 5.533,1264 2.398,1265 7.079,1266 4.595,1267 8.71,1268 6.605,1269 10.385,1271 2.964,1272 6.389,1277 0.129,1278 3.028,1279 10.98,1282 1.773,1289 31.647,1290 87.886,1291 176.432,1292 218.923,1293 240.574,1294 240.574,1295 240.574,1296 52.19,1297 7.729,1298 93.65,1299 102.03,1300 23,1301 12.692,1302 4.392,1303 3.585,1304 44.752,1305 118,1306 96,1307 0.186,1308 199.731,1309 344.24,1310 479.103,1311 25838,1312 2.2,1313 20.596,1314 0.71,1315 0.592,1316 21.346,1317 17.159,1318 13.826,1319 0.432,1320 0.338,1321 8.572,1322 12.112,1323 8.131,1324 6.738,1325 15.009,1326 10.817,1327 13.47,1328 0.287,1329 0.187,1330 15.228,1331 8.775,1332 10.71,1333 0.176,1334 0.094,1335 11.791,1336 5.717,1337 9.032,1338 0.113,1339 0.048,1340 9.918,1341 3.833,1342 7.176,1343 0.073,1344 0.025,1345 7.975,1346 2.494,1347 0.293,1348 99.781,1349 0.218,1350 27.393,1351 0.511,1352 158,1353 547.274,1354 226.251,1355 568.623,1356 761.4,1357 526,1358 187,1359 516.201,1360 257.666,1361 561.418,1362 818.58,1363 522,1364 7.411}
{0 CHEMBL1271081,1 1.937,2 10.645,3 4.32,4 18.662,5 114.391,6 9.743,7 0.529,8 3.996,9 4.071,10 3.907,11 3.585,12 5.205,13 3.577,14 4.514,15 4.626,16 4.211,17 3.937,18 5.905,19 3.933,20 4.688,21 4.828,22 4.266,23 4.053,24 5.978,25 4.03,26 4.732,27 4.874,28 4.323,29 4.082,30 6.002,31 4.058,32 4.818,33 4.987,34 4.352,35 4.114,36 6.144,37 4.08,38 4.774,39 4.952,40 4.23,41 4.019,42 6.107,43 3.987,44 4.642,45 4.847,46 4.094,47 3.847,48 6.041,49 3.807,50 4.431,51 4.616,52 3.819,53 3.718,54 5.656,55 3.657,56 0.187,57 0.727,58 6.958,59 4.339,60 21.911,61 3.856,62 0.644,63 1.143,64 16.328,65 7.319,66 59.445,67 6.775,68 0.69,69 1.322,70 20.112,71 8.256,72 68.321,73 7.736,74 0.727,75 1.367,76 20.482,77 8.61,78 61.483,79 8.546,80 0.89,81 1.445,82 27.886,83 9.664,84 74.839,85 10.184,86 0.834,87 1.394,88 25.898,89 8.607,90 93.08,91 9.157,92 0.834,93 1.239,94 22.643,95 7.684,96 83.921,97 9.153,98 0.534,99 1.019,100 17.233,101 6.432,102 52.759,103 6.882,104 31,105 49,106 0.324,107 0.668,108 0.814,109 0.891,110 0.891,111 0.891,112 3.472,113 0.994,114 -3.44,115 -3.42,116 -3.27,118 42.6,123 1,124 1,125 1,138 7,140 6,141 1,143 1,146 1,153 1,167 3,170 4,171 4,173 2,175 2,178 4,181 2,182 8,186 1,188 2,191 2,192 9,195 1,197 2,203 2,204 9,206 2,211 2,214 2,215 8,223 3,227 7,228 4,231 2,233 2,235 1,239 1,240 2,243 1,245 1,247 1,251 2,252 6,260 4,264 1595,265 20.703,266 20.703,267 20.703,268 20.703,269 20.703,270 17.993,271 27.95,272 12.148,273 21.502,274 16.782,275 16.782,276 16.782,277 16.782,278 16.782,279 12.585,280 43.411,281 5.671,282 18.209,283 3.618,284 1.56,285 0.689,286 0.229,287 0.229,288 0.229,289 4.164,290 1,293 1,294 1,295 709,296 4,299 69.427,300 291.153,303 129.665,307 1.638,308 44.83,311 1,312 0.67,313 1,314 0.4,316 1,317 1,318 0.72,319 68.833,320 330,321 4.805,322 5.18,323 7.116,324 4.195,325 3.32,326 4.665,327 2.95,328 11.776,329 3.027,330 4.564,331 4.058,332 6.958,333 4.186,334 3.261,335 4.22,336 2.441,337 11.69,338 2.858,339 4.14,340 3.568,341 6.132,342 3.723,343 2.797,344 3.724,345 1.392,346 8.968,347 2.582,348 3.892,349 3.09,350 5.645,351 3.501,352 2.563,353 3.407,354 0.77,355 7.754,356 2.395,357 3.673,358 2.883,359 5.47,360 3.224,361 2.3,362 3.003,363 0.532,364 6.943,365 2.106,366 3.501,367 2.755,368 5.074,369 2.983,370 2.081,371 2.702,372 0.4,373 6.056,374 1.831,375 3.363,376 2.558,377 4.658,378 2.642,379 1.695,380 2.299,382 4.732,383 1.584,384 3.076,385 2.189,386 4.478,387 2.495,388 1.537,389 2.15,391 4.342,392 1.465,393 2.969,394 2.012,395 4.239,396 2.372,397 1.416,398 1.997,400 3.615,401 1.347,402 2.692,403 1.806,404 3.511,405 2.119,406 1.173,407 1.74,409 2.575,410 1.107,411 2.609,412 1.671,413 3.49,414 2.101,415 1.124,416 1.652,417 2.52,418 1.089,419 2.338,420 1.307,421 3.472,422 2.092,423 1.109,424 1.241,425 2.469,426 1.074,427 2.164,428 1.22,429 3.369,430 1.676,431 0.769,432 0.988,433 1.662,434 0.691,435 1.698,436 1.111,437 2.974,438 1.338,439 0.433,440 0.534,441 0.941,442 0.375,443 1.294,444 0.793,445 2.898,446 0.94,451 14.881,452 0.48,453 0.894,454 0.029,455 47.25,456 1.524,457 26,458 0.839,459 21.25,460 0.685,461 22.766,462 0.734,463 32.519,464 0.692,465 37.581,466 1.212,467 9.147,468 0.295,469 5.716,470 0.184,471 0.153,472 0.056,473 0.296,478 0.715,479 1.372,480 0.667,481 1.149,482 0.637,483 0.859,484 0.911,485 0.994,486 0.88,487 0.962,488 0.593,489 0.827,490 1.121,491 1.101,492 1.013,493 0.973,494 1.153,495 0.977,496 0.999,497 1.139,498 0.942,499 1.005,500 0.922,501 1.03,502 0.913,503 1.025,504 1.02,505 0.935,506 0.737,507 0.953,508 1.069,509 1.14,510 1.014,511 0.939,512 0.978,513 1.013,514 0.604,515 0.867,516 0.727,517 0.771,518 0.663,519 0.881,520 0.89,521 0.979,522 0.969,523 0.972,524 0.957,525 1.06,526 7,527 0.209,528 3.556,529 2.5,530 1.897,531 1.087,532 0.815,533 0.48,534 0.317,535 0.257,536 12269,537 45578,538 2.057,539 34,541 12,542 2,543 1,544 1,549 1.74,550 1.908,551 3.369,552 -0.233,554 1,558 91.017,559 1.937,560 3.995,561 4.865,562 5.326,563 5.326,564 5.326,565 2.711,566 4.478,567 4.929,568 3.595,569 1671.51,570 8.625,571 23590.2,576 261.066,577 1.595,578 4.87,579 0.206,580 0.007,581 0.073,582 0.05,583 0.037,584 0.021,585 0.018,586 0.012,587 0.01,588 0.009,589 0.443,590 0.33,591 0.88,592 0.999,593 159.828,594 -0.023,595 -0.242,596 0.115,597 -0.122,598 -0.11,599 -0.018,600 0.066,601 0.076,602 -0.047,603 0.017,604 0.155,605 0.04,606 -0.188,607 -0.056,608 -0.143,609 -0.051,610 -0.184,611 -0.087,612 -0.079,613 -0.125,614 -0.067,615 -0.108,616 -0.111,617 -0.124,618 0.003,619 -0.027,620 -0.026,621 -0.022,622 0.037,623 0.005,624 -0.133,625 -0.145,626 -0.072,627 -0.065,628 -0.085,629 -0.063,630 0.267,631 0.153,632 0.145,633 0.098,634 0.183,635 0.1,636 -0.08,637 0.049,638 -0.107,639 -0.043,640 -0.125,641 -0.086,642 4.275,643 4.804,644 0.677,645 27.663,646 1.032,647 1.121,648 2.21,649 4.886,650 0.722,651 3.555,652 3.912,653 4.174,654 4.466,655 4.691,656 4.745,657 4.875,658 4.934,659 4.984,660 5.037,661 6.739,662 0.705,663 457.93,664 3.555,665 5.118,666 5.974,667 6.874,668 7.752,669 8.654,670 9.541,671 10.442,672 11.332,673 12.233,674 10.6,682 2,683 1,684 2,690 8,691 2,695 8,697 18,709 1,711 1,714 2,715 1,716 47,718 21,719 2,720 34,722 50,723 20,724 16,725 6,726 6,728 4,729 5,730 1,739 1,740 16,741 3,744 2,747 1,749 2,757 1,760 16,761 9,762 1,763 11,764 2,769 5,775 0.75,776 4,788 1,793 1,794 3,797 1,803 1,819 3,821 1,823 1,824 1,827 31,830 1,833 2,834 1,835 2,838 1,842 1,846 1,848 1,849 1,850 8.5,853 2,855 2,858 16.25,859 8.943,860 6.722,861 2.482,863 3.606,864 1.462,865 0.996,866 5.99,867 11.407,868 3.871,869 4.494,870 4.999,871 5.565,872 6.114,873 6.315,874 6.693,875 6.982,876 7.341,877 7.642,878 0.857,879 50,880 11.578,881 5.176,882 8.06,883 21.091,884 17.231,885 2.56,886 79.361,889 1,890 176.567,891 139.254,892 85.765,893 39.149,894 66.313,896 6.046,897 133.208,898 282.028,899 85.765,900 7.19,901 8.756,902 72.38,903 106.257,904 104.293,905 27.769,906 141.253,907 39.149,908 176.567,909 218.973,910 66.313,911 45.195,913 176.567,914 66.313,917 71.897,918 113.505,919 78.766,921 176.567,922 152.078,923 178.403,925 6.046,926 176.567,927 34.035,928 85.696,929 34.612,930 170.092,931 176.567,932 152.078,933 178.403,935 0.586,936 0.339,937 0.191,938 0.109,939 24,940 11,941 0.12,942 6,943 1,944 1.095,945 4.07,946 287.835,947 0.095,948 21,949 151.58,953 1,954 21.353,955 8.697,956 4.58,958 152.078,959 12.812,960 8.657,964 3.057,966 18.011,967 507.047,968 47,971 -3.359,973 23.608,980 48.52,981 52.684,983 0.349,984 0.719,985 0.876,986 0.959,987 0.959,988 0.959,989 5.133,990 1.537,991 5.999,992 4.732,993 4.595,994 5.182,995 3.582,996 6.868,997 4.431,998 6.383,999 1.416,1000 7.598,1001 4.342,1002 4.369,1003 5.231,1004 0.325,1005 8.04,1006 4.023,1007 7.735,1008 1.173,1009 9.31,1010 3.615,1011 6.282,1012 7.477,1013 5.445,1014 11.096,1015 5.928,1016 9.125,1017 1.124,1018 11.09,1019 2.575,1020 6.868,1021 8.335,1022 0.522,1023 13.075,1024 6.32,1025 10.549,1026 1.109,1027 12.915,1028 2.52,1029 8.3,1030 10.114,1031 7.471,1032 15.715,1033 7.729,1034 11.997,1035 0.769,1036 14.769,1037 2.469,1038 9.229,1039 11.324,1040 1.563,1041 17.992,1042 8.484,1043 13.464,1044 0.433,1045 16.644,1046 1.662,1047 10.492,1048 12.936,1049 9.548,1050 20.507,1051 9.694,1052 3.32,1054 18.536,1055 0.941,1056 11.568,1057 14.306,1058 3.359,1059 22.897,1060 10.619,1061 3.261,1062 11.776,1063 20.44,1065 12.772,1066 15.854,1067 11.651,1068 25.373,1069 11.747,1070 2.797,1071 11.69,1072 22.353,1073 4.665,1074 13.91,1075 17.301,1076 5.31,1077 27.806,1078 12.753,1079 2.563,1080 8.968,1081 24.274,1082 4.22,1083 15.097,1084 18.827,1085 13.773,1086 30.271,1087 13.85,1088 2.3,1089 7.754,1090 26.2,1091 3.724,1092 16.262,1093 20.311,1094 7.257,1095 32.721,1096 14.895,1097 2.081,1098 6.943,1099 28.132,1100 3.407,1101 17.446,1102 21.831,1103 15.906,1104 35.183,1105 15.982,1106 1.695,1107 6.056,1108 30.067,1109 3.003,1110 18.623,1111 23.335,1112 9.184,1113 37.64,1114 17.047,1115 11800,1116 22903,1117 22.364,1118 33.921,1119 52.261,1120 56.806,1121 52.495,1122 51.466,1123 51.156,1124 68.641,1125 16.968,1126 152.086,1127 47.066,1128 5.667,1129 7.18,1130 6.874,1131 5.277,1132 5.32,1133 7.665,1134 5.9,1135 19.186,1136 5.027,1137 16.582,1138 1.537,1139 1.671,1140 1.544,1141 1.514,1142 1.505,1143 2.019,1144 0.499,1145 4.473,1146 1.384,1147 4.086,1148 4.078,1149 4.735,1150 4.092,1151 7.716,1152 3.994,1153 3.989,1154 3.995,1155 4.065,1156 3.882,1157 6.999,1158 3.891,1159 3.813,1160 3.845,1161 3.829,1162 3.661,1163 6.818,1164 3.668,1165 3.641,1166 3.645,1167 3.666,1168 3.56,1169 5.073,1170 3.51,1171 3.465,1172 3.526,1173 3.496,1174 3.271,1175 4.981,1176 3.292,1177 3.291,1178 3.311,1179 3.396,1180 3.046,1181 4.709,1182 3.075,1183 3.059,1184 3.134,1185 2.971,1186 2.873,1187 4.682,1188 2.886,1189 2.915,1190 2.973,1191 2.922,1192 2.754,1193 4.086,1194 2.765,1195 0.141,1196 0.152,1197 0.209,1198 0.123,1199 0.098,1200 4.805,1201 0.137,1202 5.18,1203 0.087,1204 7.116,1205 0.346,1206 4.195,1207 0.089,1208 3.32,1209 4.665,1210 2.95,1211 11.776,1212 3.027,1213 1.976,1214 1.987,1215 1.995,1216 2.06,1217 1.216,1218 2.083,1219 1.879,1220 1.861,1221 1.926,1222 1.994,1223 1.098,1224 1.991,1225 1.712,1226 1.676,1227 1.788,1228 1.859,1229 0.851,1230 1.854,1231 1.543,1232 1.548,1233 1.589,1234 1.679,1235 0.81,1236 1.729,1237 1.395,1238 1.334,1239 1.572,1240 1.607,1241 0.635,1242 1.601,1243 1.149,1244 1.116,1245 1.429,1246 1.508,1247 0.575,1248 1.475,1249 1.011,1250 0.943,1251 1.226,1252 1.246,1253 0.269,1254 1.249,1255 0.811,1256 0.782,1257 1.079,1258 1.033,1259 0.204,1260 1.082,1261 4.234,1263 5.58,1264 2.398,1265 7.117,1266 4.595,1267 8.745,1268 6.605,1269 10.422,1271 1.136,1272 6.415,1277 -0.004,1278 2.987,1279 10.972,1282 1.593,1287 9.387,1288 2.1,1289 33.142,1290 91.017,1291 187.763,1292 228.659,1293 250.311,1294 250.311,1295 250.311,1296 62.843,1297 7.801,1298 117.44,1299 125.82,1300 23,1301 12.757,1302 4.459,1303 3.807,1304 49.298,1305 125,1306 112,1307 0.191,1308 210.263,1309 367.26,1310 504.801,1311 27431,1312 2.1,1313 22.01,1314 0.71,1315 0.575,1316 22.76,1317 17.814,1318 14.864,1319 0.437,1320 0.331,1321 9.015,1322 13.11,1323 8.612,1324 7.108,1325 16.047,1326 11.263,1327 14.063,1328 0.287,1329 0.183,1330 15.821,1331 8.96,1332 11.082,1333 0.173,1334 0.091,1335 12.162,1336 5.814,1337 9.536,1338 0.111,1339 0.046,1340 10.394,1341 3.941,1342 7.851,1343 0.073,1344 0.025,1345 8.697,1346 2.653,1347 0.298,1348 106.278,1349 0.211,1350 28.791,1351 0.531,1352 166,1353 594.919,1354 235.277,1355 617.344,1356 820,1357 570,1358 196,1359 550.961,1360 267.526,1361 596.254,1362 867.2,1363 555,1364 6.721}
{0 CHEMBL1271082,1 1.877,2 10.719,3 4.245,4 18.021,5 120.221,6 9,7 0.514,8 4.104,9 4.187,10 3.945,11 3.644,12 5.23,13 3.631,14 4.646,15 4.776,16 4.239,17 3.994,18 5.958,19 3.985,20 4.793,21 4.946,22 4.292,23 4.115,24 5.994,25 4.081,26 4.859,27 5.021,28 4.353,29 4.156,30 6.023,31 4.116,32 4.961,33 5.147,34 4.398,35 4.203,36 6.141,37 4.158,38 4.967,39 5.139,40 4.333,41 4.176,42 6.117,43 4.13,44 4.931,45 5.133,46 4.268,47 4.089,48 6.141,49 4.031,50 4.809,51 5.013,52 3.988,53 3.991,54 5.875,55 3.898,56 0.185,57 0.794,58 10.127,59 5.201,60 18.938,61 5.268,62 0.77,63 1.235,64 22.68,65 8.568,66 66.495,67 8.775,68 0.743,69 1.415,70 26.372,71 9.416,72 59.774,73 10.331,74 0.742,75 1.498,76 27.899,77 10.235,78 57.761,79 11.83,80 0.978,81 1.59,82 35.493,83 11.12,84 72.584,85 13.181,86 1.032,87 1.565,88 36.052,89 11.028,90 80.206,91 12.859,92 1.141,93 1.508,94 32.372,95 10.31,96 84.063,97 12.879,98 0.82,99 1.321,100 32.905,101 10.233,102 58.104,103 12.269,104 32,105 50,106 0.309,107 0.644,108 0.822,109 0.89,110 0.89,111 0.89,112 3.503,113 1.019,114 -3.73,115 -3.7,116 -3.52,118 39.6,123 2,124 2,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 4,171 4,173 2,175 2,178 4,181 2,182 8,186 1,188 2,191 2,192 9,195 1,197 2,203 2,204 9,206 2,211 2,214 2,215 8,223 3,227 7,228 4,231 2,233 2,235 1,239 1,240 2,243 1,245 1,247 1,251 2,252 6,260 4,264 1790,265 21.411,266 21.411,267 21.411,268 21.411,269 21.411,270 18.907,271 30.131,272 12.673,273 22.387,274 17.282,275 17.282,276 17.282,277 17.282,278 17.282,279 13.412,280 46.808,281 5.967,282 18.881,283 3.851,284 1.824,285 0.739,286 0.33,287 0.33,288 0.33,289 4.195,290 1,293 1,294 1,295 734,296 4.123,299 72.454,300 304.235,303 135.464,307 1.646,308 42.909,311 1,312 0.67,313 1,314 0.8,316 1,317 1,318 0.78,319 71.333,320 343,321 4.805,322 5.18,323 7.116,324 4.195,325 3.32,326 4.665,327 2.95,328 11.776,329 3.027,330 4.563,331 3.581,332 6.958,333 4.186,334 3.262,335 4.219,336 1.392,337 11.69,338 2.858,339 4.138,340 3.098,341 6.132,342 3.723,343 2.797,344 3.723,345 0.86,346 8.969,347 2.582,348 3.888,349 2.883,350 5.645,351 3.501,352 2.564,353 3.406,354 0.8,355 7.755,356 2.395,357 3.663,358 2.758,359 5.47,360 3.224,361 2.3,362 3,363 0.532,364 6.943,365 2.106,366 3.418,367 2.561,368 5.074,369 2.985,370 2.084,371 2.694,372 0.4,373 6.059,374 1.832,375 3.083,376 2.221,377 4.658,378 2.645,379 1.7,380 2.292,382 4.734,383 1.586,384 2.971,385 2.126,386 4.478,387 2.517,388 1.59,389 2.147,391 4.344,392 1.475,393 2.737,394 1.995,395 4.249,396 2.436,397 1.494,398 1.808,400 3.72,401 1.392,402 2.613,403 1.806,404 3.544,405 2.166,406 1.235,407 1.654,409 2.641,410 1.138,411 2.598,412 1.516,413 3.503,414 2.103,415 1.129,416 1.62,417 2.537,418 1.095,419 2.257,420 1.275,421 3.478,422 2.093,423 1.109,424 1.239,425 2.514,426 1.074,427 2.084,428 1.146,429 3.429,430 1.826,431 0.94,432 1.049,433 2.149,434 0.826,435 1.693,436 0.925,437 3.151,438 1.41,439 0.507,440 0.577,441 1.178,442 0.448,443 1.294,444 0.709,445 2.905,446 1.019,447 0.15,448 0.162,449 0.27,450 0.12,451 15.314,452 0.479,453 0.894,454 0.028,455 45,456 1.406,457 23,458 0.719,459 22,460 0.688,461 26.185,462 0.818,463 35.086,464 0.662,465 36.8,466 1.15,467 8.893,468 0.278,469 6.47,470 0.202,471 0.155,472 0.054,473 0.287,478 0.742,479 1.475,480 0.686,481 1.217,482 0.696,483 0.94,484 1.07,485 0.956,486 0.884,487 0.882,488 0.688,489 0.781,490 1.07,491 1.139,492 0.977,493 0.945,494 1.167,495 0.947,496 0.898,497 1.193,498 0.888,499 1.017,500 0.942,501 1.022,502 0.892,503 1.001,504 0.97,505 0.906,506 0.718,507 0.92,508 1.097,509 1.158,510 1.11,511 1.038,512 0.91,513 1.087,514 0.768,515 0.889,516 0.798,517 0.802,518 0.508,519 0.939,520 1.011,521 0.997,522 1.109,523 1.008,524 0.742,525 1.087,526 7,527 0.209,528 3.556,529 2.5,530 1.897,531 1.087,532 0.856,533 0.511,534 0.389,535 0.257,536 13236,537 45931,538 2.056,539 39.6,541 17,542 2,543 1,544 1,549 1.749,550 1.91,551 3.371,552 -0.248,554 1,558 99.493,559 1.877,560 3.904,561 4.989,562 5.398,563 5.398,564 5.398,565 2.698,566 4.601,567 4.974,568 3.611,569 1790.83,570 8.723,571 25952.1,576 303.58,577 1.574,578 4.918,579 0.2,580 0.007,581 0.071,582 0.049,583 0.036,584 0.02,585 0.017,586 0.011,587 0.011,588 0.009,589 0.431,590 0.33,591 0.75,592 1.137,593 166.629,594 -0.018,595 -0.277,596 0.127,597 -0.135,598 -0.147,599 -0.027,600 -0.008,601 0.14,602 -0.016,603 0.112,604 0.177,605 0.118,606 -0.146,607 -0.054,608 -0.095,609 -0.006,610 -0.139,611 -0.033,612 -0.032,613 -0.145,614 -0.009,615 -0.102,616 -0.078,617 -0.085,618 0.01,619 0.031,621 0.001,622 0.036,623 0.028,624 -0.096,625 -0.169,626 -0.133,627 -0.143,628 -0.126,629 -0.146,630 0.177,631 0.123,632 0.057,633 0.052,634 0.157,635 0.001,636 -0.113,637 -0.034,638 -0.141,639 -0.068,640 -0.062,641 -0.091,642 4.256,643 4.851,644 0.656,645 29.691,646 1.026,647 1.125,648 2.5,649 6.252,650 0.692,651 3.584,652 3.932,653 4.19,654 4.477,655 4.71,656 4.779,657 4.92,658 4.984,659 5.03,660 5.1,661 6.85,662 0.668,663 476.98,664 3.584,665 5.142,666 5.994,667 6.891,668 7.767,669 8.667,670 9.553,671 10.454,672 11.344,673 12.245,674 7.5,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 1,714 2,715 1,716 53,718 20,719 2,720 35,722 56,723 21,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 5,744 2,747 1,749 2,760 21,761 9,762 1,763 11,764 2,769 4,775 0.75,776 5,788 1,793 1,794 3,797 1,818 1,819 3,821 1,823 2,824 1,827 32,830 1,833 3,834 1,835 3,838 1,849 1,850 9.4,853 2,854 1,855 2,858 16.75,859 10.16,860 6.972,861 2.807,863 3.562,864 1.455,865 0.983,866 6.834,867 11.399,868 3.85,869 4.483,870 4.992,871 5.553,872 6.091,873 6.282,874 6.659,875 6.951,876 7.291,877 7.63,878 0.857,879 51,880 11.971,881 5.27,882 7.933,883 22.109,884 17.938,885 2.433,886 77.861,890 235.422,891 138.128,892 54.706,893 39.149,894 77.313,896 6.046,897 132.082,898 351.883,899 54.706,900 18.073,901 13.348,902 72.38,903 100.655,904 73.234,905 27.769,906 200.109,907 39.149,908 235.422,909 186.788,910 77.313,911 45.195,913 235.422,914 66.313,915 11,917 45.43,918 107.787,919 78.766,921 235.422,922 132.019,923 177.276,925 6.046,926 235.422,927 38.627,928 96.579,929 18.011,930 150.032,931 235.422,932 132.019,933 177.276,935 0.583,936 0.334,937 0.185,938 0.107,939 24,940 11,941 0.143,942 8,943 1,944 1.095,945 4.151,946 299.663,947 0.095,948 21,949 158,953 1,954 22.767,955 9.606,956 5.164,958 132.019,959 13.27,960 8.859,964 3.787,966 18.011,967 544.717,968 46,971 -3.339,973 23.702,980 54.396,981 59.641,983 0.328,984 0.682,985 0.871,986 0.942,987 0.942,988 0.942,989 5.103,990 1.59,991 6.014,992 4.734,993 4.615,994 5.17,995 3.243,996 6.876,997 4.443,998 6.34,999 1.494,1000 7.608,1001 4.344,1002 4.369,1003 5.231,1004 0.325,1005 8.04,1006 4.023,1007 7.689,1008 1.235,1009 9.317,1010 3.72,1011 6.293,1012 7.467,1013 5.086,1014 11.098,1015 5.934,1016 9.082,1017 1.129,1018 11.094,1019 2.641,1020 6.868,1021 8.335,1022 0.268,1023 13.075,1024 6.32,1025 10.51,1026 1.109,1027 12.917,1028 2.537,1029 8.305,1030 10.11,1031 7.197,1032 15.715,1033 7.731,1034 11.963,1035 0.94,1036 14.77,1037 2.514,1038 9.229,1039 11.324,1040 0.188,1041 17.992,1042 8.484,1043 13.436,1044 0.507,1045 16.645,1046 2.149,1047 10.494,1048 12.934,1049 9.35,1050 20.507,1051 9.695,1052 3.32,1053 0.15,1054 18.537,1055 1.178,1056 11.568,1057 14.306,1058 0.125,1059 22.897,1060 10.619,1061 3.262,1062 11.776,1063 20.44,1064 0.27,1065 12.773,1066 15.853,1067 11.512,1068 25.374,1069 11.748,1070 2.797,1071 11.69,1072 22.353,1073 4.665,1074 13.91,1075 17.3,1076 0.082,1077 27.806,1078 12.753,1079 2.564,1080 8.969,1081 24.274,1082 4.219,1083 15.098,1084 18.826,1085 13.675,1086 30.271,1087 13.85,1088 2.3,1089 7.755,1090 26.2,1091 3.723,1092 16.262,1093 20.311,1094 0.054,1095 32.721,1096 14.895,1097 2.084,1098 6.943,1099 28.132,1100 3.406,1101 17.446,1102 21.831,1103 15.838,1104 35.183,1105 15.982,1106 1.7,1107 6.059,1108 30.067,1109 3,1110 18.623,1111 23.335,1112 0.035,1113 37.64,1114 17.047,1115 12771,1116 23957,1117 23.057,1118 36.653,1119 52.224,1120 55.517,1121 53.865,1122 52.59,1123 52.363,1124 68.511,1125 13.866,1126 154.56,1127 47.91,1128 5.685,1129 7.18,1130 6.975,1131 5.277,1132 5.32,1133 7.665,1134 5.9,1135 19.187,1136 5.027,1137 17.02,1138 1.492,1139 1.586,1140 1.539,1141 1.503,1142 1.496,1143 1.957,1144 0.396,1145 4.416,1146 1.369,1147 4.087,1148 4.079,1149 4.735,1150 4.092,1151 7.716,1152 3.994,1153 3.99,1154 3.996,1155 4.065,1156 3.883,1157 6.999,1158 3.892,1159 3.814,1160 3.845,1161 3.829,1162 3.662,1163 5.075,1164 3.668,1165 3.643,1166 3.65,1167 3.665,1168 3.56,1169 4.982,1170 3.51,1171 3.534,1172 3.583,1173 3.496,1174 3.3,1175 4.71,1176 3.312,1177 3.302,1178 3.324,1179 3.397,1180 3.048,1181 4.682,1182 3.078,1183 3.162,1184 3.243,1185 3.027,1186 2.91,1187 4.627,1188 2.924,1189 3.037,1190 3.118,1191 2.923,1192 2.847,1193 4.083,1194 2.847,1195 0.137,1196 0.148,1197 0.203,1198 0.12,1199 0.095,1200 4.805,1201 0.133,1202 5.18,1203 0.084,1204 7.116,1205 0.336,1206 4.195,1207 0.086,1208 3.32,1209 4.665,1210 2.95,1211 11.776,1212 3.027,1213 1.976,1214 1.987,1215 1.995,1216 2.062,1217 1.216,1218 2.084,1219 1.881,1220 1.862,1221 1.937,1222 1.998,1223 1.148,1224 1.998,1225 1.712,1226 1.677,1227 1.797,1228 1.859,1229 0.962,1230 1.854,1231 1.546,1232 1.549,1233 1.727,1234 1.744,1235 0.837,1236 1.753,1237 1.469,1238 1.413,1239 1.585,1240 1.668,1241 0.748,1242 1.712,1243 1.169,1244 1.13,1245 1.513,1246 1.52,1247 0.579,1248 1.491,1249 1.105,1250 1.019,1251 1.43,1252 1.414,1253 0.559,1254 1.441,1255 1.007,1256 0.935,1257 1.228,1258 1.243,1259 0.274,1260 1.249,1261 4.263,1263 5.602,1264 2.398,1265 7.133,1266 4.595,1267 8.756,1268 6.605,1269 10.43,1271 2.765,1272 6.527,1277 0.953,1278 3.053,1279 16.424,1282 1.86,1289 35.415,1290 99.493,1291 206.909,1292 264.419,1293 286.07,1294 286.07,1295 286.07,1296 62.477,1297 7.836,1298 102.88,1299 111.26,1300 23,1301 12.768,1302 4.392,1303 3.585,1304 51.652,1305 130,1306 120,1307 0.191,1308 222.912,1309 387.63,1310 535.664,1311 28356,1312 1.9,1313 22.717,1314 0.71,1315 0.593,1316 23.467,1317 18.982,1318 15.364,1319 0.439,1320 0.34,1321 9.595,1322 13.49,1323 9.149,1324 7.564,1325 16.547,1326 11.883,1327 14.417,1328 0.288,1329 0.187,1330 16.175,1331 9.361,1332 11.351,1333 0.175,1334 0.094,1335 12.431,1336 6.104,1337 9.642,1338 0.111,1339 0.047,1340 10.501,1341 4.12,1342 7.961,1343 0.072,1344 0.026,1345 8.807,1346 2.826,1347 0.297,1348 110.132,1349 0.208,1350 29.549,1351 0.532,1352 170,1353 603.01,1354 240.798,1355 614.239,1356 817.72,1357 570,1358 200,1359 546.28,1360 273.048,1361 591.438,1362 862.27,1363 549,1364 6.516}
{0 CHEMBL1271186,1 1.909,2 10.645,3 3.837,4 14.719,5 115.47,6 9.259,7 0.529,8 4.055,9 4.134,10 3.916,11 3.606,12 5.213,13 3.595,14 4.582,15 4.701,16 4.221,17 3.965,18 5.941,19 3.956,20 4.768,21 4.925,22 4.274,23 4.078,24 5.999,25 4.048,26 4.792,27 4.941,28 4.333,29 4.11,30 6.007,31 4.08,32 4.898,33 5.068,34 4.371,35 4.16,36 6.153,37 4.119,38 4.925,39 5.101,40 4.275,41 4.104,42 6.163,43 4.057,44 4.839,45 5.047,46 4.137,47 3.948,48 6.131,49 3.89,50 4.614,51 4.825,52 3.839,53 3.793,54 5.729,55 3.714,56 0.215,57 0.757,58 9.079,59 4.864,60 24.747,61 4.667,62 0.703,63 1.188,64 19.495,65 8.035,66 66.89,67 8.014,68 0.793,69 1.373,70 25.719,71 9.155,72 68.623,73 9.758,74 0.754,75 1.414,76 24.398,77 9.367,78 58.676,79 10.236,80 0.949,81 1.5,82 31.316,83 10.516,84 74.496,85 11.902,86 1.085,87 1.484,88 34.758,89 10.537,90 99.035,91 11.911,92 1.162,93 1.35,94 31.438,95 9.493,96 98.375,97 11.631,98 0.722,99 1.118,100 25.056,101 8.136,102 61.591,103 9.615,104 31,105 49,106 0.318,107 0.667,108 0.826,109 0.898,110 0.898,111 0.898,112 3.472,113 1.015,114 -3.51,115 -3.49,116 -3.33,118 40,123 1,124 2,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 4,171 4,173 2,175 2,178 4,181 1,182 8,184 1,186 1,188 2,191 2,192 9,195 1,197 2,203 1,204 8,206 3,208 1,211 2,214 1,215 6,218 1,220 2,223 3,227 5,228 3,231 3,232 1,233 3,235 1,239 1,240 2,243 1,245 1,247 1,251 2,252 4,257 2,260 4,264 1595,265 20.703,266 20.703,267 20.703,268 20.703,269 20.703,270 18.2,271 27.975,272 12.148,273 21.523,274 16.782,275 16.782,276 16.782,277 16.782,278 16.782,279 12.912,280 44.684,281 5.671,282 18.243,283 3.735,284 1.644,285 0.688,286 0.255,287 0.255,288 0.255,289 4.164,290 1,293 1,294 1,295 709,296 4,299 69.427,300 291.153,303 129.665,307 1.638,308 45.671,311 1,312 0.67,313 1,314 0.6,316 1,317 1,318 0.75,319 69.333,320 330,321 4.805,322 5.18,323 7.116,324 4.195,325 3.32,326 4.665,327 2.95,328 11.776,329 3.027,330 4.563,331 3.58,332 6.958,333 4.186,334 3.261,335 4.219,336 1.392,337 11.69,338 2.858,339 4.138,340 3.097,341 6.132,342 3.723,343 2.797,344 3.723,345 0.8,346 8.968,347 2.582,348 3.888,349 2.883,350 5.645,351 3.501,352 2.563,353 3.406,354 0.532,355 7.754,356 2.395,357 3.663,358 2.757,359 5.47,360 3.224,361 2.3,362 3,363 0.4,364 6.943,365 2.106,366 3.418,367 2.558,368 5.074,369 2.982,370 2.081,371 2.694,373 6.056,374 1.83,375 3.082,376 2.189,377 4.658,378 2.641,379 1.695,380 2.291,382 4.732,383 1.583,384 2.97,385 2.012,386 4.478,387 2.494,388 1.537,389 2.147,391 4.342,392 1.463,393 2.716,394 1.806,395 4.239,396 2.362,397 1.416,398 1.796,400 3.615,401 1.331,402 2.61,403 1.727,404 3.511,405 2.114,406 1.173,407 1.653,409 2.575,410 1.103,411 2.514,412 1.396,413 3.49,414 2.1,415 1.124,416 1.517,417 2.52,418 1.084,419 2.223,420 1.264,421 3.472,422 2.091,423 1.109,424 1.206,425 2.469,426 1.074,427 1.865,428 1.135,429 3.369,430 1.66,431 0.769,432 0.826,433 1.662,434 0.677,435 1.653,436 0.842,437 2.974,438 1.331,439 0.433,440 0.51,441 0.941,442 0.372,443 1.293,444 0.663,445 2.898,446 0.94,451 14.814,452 0.478,453 0.894,454 0.029,455 44.25,456 1.427,457 23,458 0.742,459 21.25,460 0.685,461 24.632,462 0.795,463 33.786,464 0.676,465 35.715,466 1.152,467 8.655,468 0.279,469 6.209,470 0.2,471 0.149,472 0.056,473 0.297,478 0.774,479 1.41,480 0.691,481 1.152,482 0.773,483 0.887,484 0.933,485 1.025,486 0.88,487 0.956,488 0.702,489 0.842,490 1.054,491 1.092,492 0.954,493 0.9,494 1.096,495 0.902,496 0.935,497 1.169,498 0.915,499 1.01,500 0.901,501 1.025,502 0.885,503 1.079,504 1.008,505 0.988,506 0.734,507 1.012,508 1.108,509 1.132,510 1.134,511 1.035,512 0.955,513 1.106,514 0.789,515 0.853,516 0.84,517 0.796,518 0.643,519 0.935,520 0.937,521 0.905,522 0.892,523 0.868,524 0.852,525 0.962,526 7,527 0.209,528 3.556,529 2.5,530 1.897,531 1.087,532 0.815,533 0.48,534 0.317,535 0.257,536 12269,537 44114,538 2.057,539 38,541 14,542 2,543 1,544 2,549 1.74,550 1.908,551 3.369,552 0.321,554 1,558 95.434,559 1.909,560 4,561 4.956,562 5.389,563 5.389,564 5.389,565 2.711,566 4.478,567 4.929,568 3.595,569 1671.51,570 8.625,571 23590.2,576 282.193,577 1.595,578 4.87,579 0.206,580 0.007,581 0.073,582 0.05,583 0.037,584 0.021,585 0.018,586 0.012,587 0.01,588 0.009,589 0.443,590 0.33,591 0.75,592 0.999,593 159.828,594 -0.053,595 -0.223,596 0.111,597 -0.081,598 -0.172,599 0.005,600 0.028,601 0.086,602 -0.041,603 0.036,604 0.131,605 0.047,606 -0.146,607 -0.026,608 -0.07,609 0.032,610 -0.138,611 0.017,612 -0.065,613 -0.114,614 -0.046,615 -0.104,616 -0.095,617 -0.107,618 0.006,619 -0.052,620 -0.049,621 -0.08,622 0.024,623 -0.068,624 -0.108,625 -0.163,626 -0.141,627 -0.146,628 -0.093,629 -0.156,630 0.184,631 0.128,632 0.057,633 0.065,634 0.156,635 0.028,636 -0.08,637 0.079,638 -0.019,639 0.058,640 -0.072,641 0.038,642 4.267,643 4.811,644 0.677,645 27.663,646 1.03,647 1.125,648 2.282,649 5.206,650 0.698,651 3.555,652 3.912,653 4.174,654 4.466,655 4.691,656 4.745,657 4.875,658 4.934,659 4.984,660 5.037,661 6.739,662 0.678,663 462.95,664 3.555,665 5.118,666 5.974,667 6.874,668 7.752,669 8.654,670 9.541,671 10.442,672 11.332,673 12.233,674 8,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 1,714 2,715 1,716 50,718 20,719 2,720 34,722 53,723 20,724 16,725 6,726 6,728 4,729 5,730 1,732 1,740 16,741 4,744 2,747 1,749 2,757 1,760 19,761 9,762 2,763 11,764 2,769 4,775 0.75,776 5,777 1,788 1,793 1,794 3,797 1,817 1,819 3,821 1,823 1,824 1,827 31,830 1,832 1,833 3,834 1,835 2,838 1,849 1,850 10,851 1,853 2,855 2,858 16.25,859 9.193,860 6.722,861 2.657,863 3.588,864 1.46,865 0.975,866 6.318,867 11.39,868 3.829,869 4.472,870 4.985,871 5.55,872 6.087,873 6.27,874 6.644,875 6.932,876 7.273,877 7.605,878 0.857,879 50,880 11.615,881 5.193,882 8.028,883 21.275,884 17.457,885 2.528,886 78.361,889 1,890 200.109,891 122.652,892 54.706,893 39.149,894 108.996,896 6.046,897 116.606,898 348.253,899 54.706,900 7.19,901 8.756,902 115.063,903 89.655,904 73.234,905 27.769,906 164.795,907 39.149,908 200.109,909 171.312,910 108.996,911 45.195,913 200.109,914 66.313,915 42.683,917 40.838,918 96.904,919 78.766,921 200.109,922 163.702,923 161.801,925 6.046,926 200.109,927 34.035,928 85.696,929 18.011,930 181.716,931 200.109,932 163.702,933 161.801,935 0.586,936 0.339,937 0.191,938 0.109,939 24,940 11,941 0.132,942 7,943 1,944 1.095,945 4.07,946 287.835,947 0.095,948 21,949 151.58,953 1,954 21.803,955 8.983,956 4.761,958 163.702,959 12.971,960 8.718,964 3.343,966 60.694,967 525.612,968 45,971 -3.35,973 23.621,980 51.513,981 56.226,983 0.338,984 0.709,985 0.878,986 0.955,987 0.955,988 0.955,989 5.085,990 1.537,991 5.999,992 4.732,993 4.595,994 5.159,995 3.183,996 6.868,997 4.428,998 6.327,999 1.416,1000 7.598,1001 4.342,1002 4.369,1003 5.231,1004 0.325,1005 8.04,1006 4.023,1007 7.681,1008 1.173,1009 9.31,1010 3.615,1011 6.282,1012 7.463,1013 5.079,1014 11.096,1015 5.926,1016 9.076,1017 1.124,1018 11.09,1019 2.575,1020 6.868,1021 8.335,1022 0.268,1023 13.075,1024 6.32,1025 10.506,1026 1.109,1027 12.915,1028 2.52,1029 8.3,1030 10.109,1031 7.196,1032 15.715,1033 7.728,1034 11.96,1035 0.769,1036 14.769,1037 2.469,1038 9.229,1039 11.324,1040 0.188,1041 17.992,1042 8.484,1043 13.434,1044 0.433,1045 16.644,1046 1.662,1047 10.492,1048 12.933,1049 9.35,1050 20.507,1051 9.693,1052 3.32,1054 18.536,1055 0.941,1056 11.568,1057 14.306,1058 0.125,1059 22.897,1060 10.619,1061 3.261,1062 11.776,1063 20.44,1065 12.772,1066 15.853,1067 11.512,1068 25.373,1069 11.747,1070 2.797,1071 11.69,1072 22.353,1073 4.665,1074 13.91,1075 17.3,1076 0.082,1077 27.806,1078 12.753,1079 2.563,1080 8.968,1081 24.274,1082 4.219,1083 15.097,1084 18.826,1085 13.675,1086 30.271,1087 13.849,1088 2.3,1089 7.754,1090 26.2,1091 3.723,1092 16.262,1093 20.311,1094 0.054,1095 32.721,1096 14.895,1097 2.081,1098 6.943,1099 28.132,1100 3.406,1101 17.446,1102 21.831,1103 15.838,1104 35.183,1105 15.981,1106 1.695,1107 6.056,1108 30.067,1109 3,1110 18.623,1111 23.335,1112 0.035,1113 37.64,1114 17.047,1115 11800,1116 22529,1117 22.364,1118 34.892,1119 51.157,1120 54.238,1121 52.495,1122 51.47,1123 51.156,1124 67.305,1125 12.146,1126 152.086,1127 46.971,1128 5.671,1129 7.18,1130 6.874,1131 5.277,1132 5.32,1133 7.665,1134 5.9,1135 19.186,1136 5.027,1137 16.582,1138 1.505,1139 1.595,1140 1.544,1141 1.514,1142 1.505,1143 1.98,1144 0.357,1145 4.473,1146 1.382,1147 4.087,1148 4.078,1149 4.735,1150 4.092,1151 7.716,1152 3.994,1153 3.99,1154 3.996,1155 4.065,1156 3.883,1157 6.999,1158 3.891,1159 3.814,1160 3.845,1161 3.829,1162 3.661,1163 6.456,1164 3.667,1165 3.642,1166 3.646,1167 3.665,1168 3.56,1169 5.073,1170 3.51,1171 3.489,1172 3.547,1173 3.496,1174 3.267,1175 4.982,1176 3.274,1177 3.293,1178 3.313,1179 3.348,1180 3.046,1181 4.709,1182 3.075,1183 3.065,1184 3.139,1185 2.961,1186 2.873,1187 4.682,1188 2.884,1189 2.94,1190 2.999,1191 2.922,1192 2.754,1193 4.099,1194 2.761,1195 0.141,1196 0.152,1197 0.209,1198 0.123,1199 0.098,1200 4.805,1201 0.137,1202 5.18,1203 0.087,1204 7.116,1205 0.346,1206 4.195,1207 0.089,1208 3.32,1209 4.665,1210 2.95,1211 11.776,1212 3.027,1213 1.976,1214 1.987,1215 1.995,1216 2.061,1217 1.216,1218 2.084,1219 1.88,1220 1.862,1221 1.936,1222 1.997,1223 1.139,1224 1.997,1225 1.712,1226 1.676,1227 1.794,1228 1.859,1229 0.945,1230 1.854,1231 1.544,1232 1.548,1233 1.694,1234 1.705,1235 0.836,1236 1.737,1237 1.436,1238 1.373,1239 1.585,1240 1.659,1241 0.741,1242 1.684,1243 1.152,1244 1.12,1245 1.432,1246 1.514,1247 0.578,1248 1.48,1249 1.013,1250 0.945,1251 1.229,1252 1.256,1253 0.274,1254 1.255,1255 0.829,1256 0.782,1257 1.084,1258 1.118,1259 0.204,1260 1.107,1261 4.234,1263 5.58,1264 2.398,1265 7.117,1266 4.595,1267 8.745,1268 6.605,1269 10.422,1271 1.143,1272 6.443,1276 9.637,1277 0.104,1278 3.007,1279 11.02,1282 1.704,1289 33.889,1290 95.434,1291 200.012,1292 247.786,1293 269.438,1294 269.438,1295 269.438,1296 63.641,1297 7.801,1298 113.88,1299 122.26,1300 23,1301 12.757,1302 4.392,1303 3.585,1304 49.298,1305 125,1306 112,1307 0.191,1308 213.319,1309 370.33,1310 512.259,1311 27431,1312 2,1313 22.01,1314 0.71,1315 0.581,1316 22.76,1317 18.021,1318 14.864,1319 0.437,1320 0.338,1321 9.24,1322 13.069,1323 8.852,1324 7.284,1325 16.047,1326 11.502,1327 14.063,1328 0.287,1329 0.186,1330 15.821,1331 9.091,1332 11.082,1333 0.173,1334 0.092,1335 12.162,1336 5.908,1337 9.536,1338 0.111,1339 0.047,1340 10.394,1341 4.037,1342 7.851,1343 0.073,1344 0.025,1345 8.697,1346 2.744,1347 0.298,1348 106.632,1349 0.211,1350 28.791,1351 0.531,1352 166,1353 587.424,1354 236.023,1355 602.394,1356 801.96,1357 558,1358 196,1359 537.068,1360 268.051,1361 579.921,1362 848.32,1363 541,1364 6.823}
{0 CHEMBL1271187,1 1.585,2 12.171,3 3.555,4 12.639,5 136.976,6 7.502,7 0.55,8 4.277,9 4.407,10 3.866,11 3.748,12 5.325,13 3.755,14 4.835,15 5.014,16 4.208,17 4.145,18 5.843,19 4.132,20 5.055,21 5.277,22 4.206,23 4.293,24 5.963,25 4.231,26 5.061,27 5.295,28 4.168,29 4.317,30 5.95,31 4.216,32 5.108,33 5.365,34 4.171,35 4.296,36 5.973,37 4.211,38 5.064,39 5.295,40 4.241,41 4.272,42 5.998,43 4.215,44 5.095,45 5.329,46 4.214,47 4.278,48 6.01,49 4.208,50 5.172,51 5.439,52 4.132,53 4.257,54 6.03,55 4.163,56 0.08,57 1.028,58 13.239,59 5.072,60 9.618,61 6.962,62 0.432,63 1.621,64 26.236,65 8.347,66 31.454,67 11.604,68 0.595,69 1.903,70 34.556,71 10.466,72 37.641,73 15.486,74 0.377,75 1.932,76 34.041,77 12.674,78 34.278,79 18.498,80 0.4,81 1.933,82 37.5,83 11.824,84 40.26,85 18.119,86 0.535,87 1.925,88 34.92,89 10.827,90 39.465,91 16.011,92 0.578,93 1.958,94 35.971,95 10.584,96 39.726,97 16.377,98 0.661,99 1.948,100 41.406,101 12.29,102 50.025,103 18.532,105 55,106 0.251,107 0.568,108 0.7,109 0.755,110 0.762,111 0.762,112 3.589,113 0.894,114 -3.3,115 -3.29,116 -3.15,118 39.7,124 8,138 7,139 1,140 4,141 2,143 1,146 1,148 1,163 1,167 2,170 1,171 7,173 3,175 7,178 6,181 2,182 1,186 2,188 1,191 1,192 10,195 4,196 2,197 4,199 2,204 5,211 1,214 5,215 6,218 1,220 5,223 3,227 2,228 3,231 2,233 1,239 1,240 3,243 4,244 1,245 2,247 5,251 4,260 2,264 2315,265 24.601,266 24.601,267 24.601,268 24.601,269 24.601,270 22.074,271 39.883,272 14.875,273 25.451,274 19.874,275 19.874,276 19.874,277 19.874,278 19.874,279 16.01,280 74.723,281 7.167,282 21.214,283 4.392,284 2.396,285 1.562,286 1.218,287 1.175,288 1.175,289 4.314,294 1,295 964,296 2.646,299 79.777,300 545.03,303 147.952,307 1.824,308 24.095,311 1,312 0.5,313 1,314 0.8,315 0.5,316 1,317 1,318 0.83,319 76,320 426,321 4.517,322 3.243,323 6.521,324 4.038,325 3.062,326 4.46,327 0.86,328 10.261,329 2.99,330 4.323,331 3.122,332 6.311,333 3.979,334 3.025,335 3.926,336 0.86,337 9.702,338 2.887,339 4.069,340 3.013,341 6.016,342 3.624,343 2.701,344 3.664,345 0.8,346 8.629,347 2.492,348 3.795,349 2.843,350 5.682,351 3.608,352 2.684,353 2.972,354 0.8,355 7.985,356 2.478,357 3.613,358 2.558,359 5.381,360 3.298,361 2.356,362 2.929,363 0.4,364 7.027,365 2.215,366 3.449,367 2.347,368 5.127,369 3.041,370 2.098,371 2.754,372 0.4,373 6.16,374 1.977,375 3.19,376 2.25,377 4.811,378 2.809,379 1.865,380 2.419,382 5.333,383 1.753,384 3.048,385 2.114,386 4.457,387 2.618,388 1.697,389 2.321,391 4.482,392 1.567,393 2.942,394 1.863,395 4.283,396 2.604,397 1.684,398 2.007,400 4.065,401 1.535,402 2.838,403 1.548,404 4.101,405 2.535,406 1.548,407 1.879,409 3.656,410 1.528,411 2.664,412 1.52,413 3.515,414 2.137,415 1.202,416 1.74,417 2.715,418 1.121,419 2.5,420 1.288,421 3.498,422 2.021,423 1.134,424 1.5,425 2.623,426 0.995,427 2.238,428 1.256,429 3.472,430 1.97,431 1,432 1.225,433 2.509,434 0.968,435 2.166,436 1.256,437 3.412,438 1.952,439 1,440 1.132,441 2.234,442 0.946,443 2.09,444 1.214,445 3.251,446 1.952,447 1,448 1,449 2.136,450 0.946,451 16.367,452 0.468,453 0.615,454 0.018,455 47,456 1.343,457 22,458 0.629,459 25,460 0.714,461 29.398,462 0.84,463 37.633,464 0.597,465 36.111,466 1.032,467 9.359,468 0.267,469 7.955,470 0.227,473 0.293,478 0.948,479 1.481,480 0.768,481 1.165,482 0.817,483 0.968,484 1.413,485 1.14,486 0.993,487 0.952,488 1.082,489 0.92,490 1.22,491 1.035,492 1.088,493 0.907,494 1.086,495 0.962,496 0.443,497 1.095,498 0.924,499 1.191,500 0.584,501 1.147,502 0.796,503 1.038,504 0.875,505 0.94,506 0.865,507 0.91,508 1,509 1.044,510 0.973,511 0.985,512 0.909,513 0.972,514 0.906,515 1.184,516 1.059,517 1.081,518 0.949,519 1.077,520 1.011,521 0.888,522 0.994,523 0.941,524 1.156,525 0.958,526 5.5,527 0.139,528 2.667,529 1.75,530 1.191,531 1.003,532 0.616,533 0.316,534 0.205,535 0.172,536 20147,537 49231,538 2.246,539 44.4,541 23,543 2,544 3,549 1.77,550 2.211,551 3.579,552 0.848,558 99.866,559 1.585,560 3.581,561 4.415,562 4.759,563 4.803,564 4.803,565 2.914,566 4.183,567 5.104,568 3.792,569 2256.43,570 8.974,571 35671.5,576 376.569,577 0.863,578 5.103,579 0.138,580 0.004,581 0.048,582 0.032,583 0.023,584 0.019,585 0.011,586 0.006,587 0.004,588 0.004,589 0.291,590 0.33,591 0.75,593 189.268,594 -0.028,595 -0.243,596 0.082,597 -0.11,598 0.025,599 -0.012,600 -0.156,601 -0.014,602 -0.047,603 0.03,604 -0.017,605 0.005,606 -0.172,607 0.021,608 -0.124,609 0.067,610 -0.147,611 -0.008,612 0.166,613 -0.069,614 -0.002,615 -0.153,616 0.147,617 -0.121,618 -0.042,619 -0.05,620 0.094,621 0.05,622 -0.001,623 0.094,624 -0.017,625 0.006,626 -0.005,627 -0.02,628 0.032,629 -0.015,630 0.021,631 -0.128,632 -0.095,633 -0.127,634 -0.01,635 -0.125,636 -0.007,637 0.067,638 0.018,639 0.009,640 -0.031,641 0.017,642 1.138,643 2.06,644 0.943,645 37.739,646 1.005,647 1.136,648 2.07,649 4.284,650 0.66,651 3.714,652 4.025,653 4.317,654 4.615,655 4.844,656 4.913,657 5.094,658 5.257,659 5.347,660 5.464,661 7.666,662 0.633,663 472.61,664 3.714,665 5.252,666 6.107,667 6.982,668 7.849,669 8.73,670 9.602,671 10.485,672 11.36,673 12.244,674 12.7,680 2,682 3,684 3,689 2,690 9,691 3,692 1,695 6,697 22,709 2,711 2,716 63,718 22,719 2,720 40,722 68,723 25,724 17,725 6,726 6,728 6,729 7,740 17,741 8,760 28,761 9,762 3,763 10,769 8,775 0.833,776 2,785 1,788 1,793 1,794 5,797 1,818 2,819 5,827 35,833 8,834 2,835 2,838 2,850 3.2,854 2,858 15.833,859 11.083,860 7.611,861 3.771,863 4.34,864 1.509,865 1.034,866 6.578,867 12.863,868 3.951,869 4.535,870 5.125,871 5.732,872 6.233,873 6.515,874 6.918,875 7.348,876 7.566,877 7.958,878 0.875,879 54,880 12.909,881 5.492,882 7.524,883 25.205,884 20.967,885 2.024,886 70.833,890 294.278,891 131.192,892 109.167,894 22,897 131.192,898 316.277,899 109.167,901 26.792,902 66.334,903 95.776,904 90.628,905 6.371,906 270.735,908 294.278,909 240.359,910 22,913 294.278,915 22,917 99.471,918 90.654,919 50.234,921 294.278,922 131.167,923 131.192,926 294.278,927 46.763,928 90.677,929 52.685,930 72.234,931 294.278,932 131.167,933 131.192,935 0.573,936 0.335,937 0.193,938 0.105,939 28,940 10,941 0.088,942 6,943 1,944 1.061,945 4.714,946 344.487,947 0.061,948 33,949 155.525,954 22.402,955 10.278,956 5.147,957 1.979,958 114.504,959 17.967,960 13.309,961 2.996,964 5.45,966 52.685,967 556.637,968 51,980 63.305,981 71.557,983 0.265,984 0.599,985 0.739,986 0.796,987 0.803,988 0.803,989 5.185,990 1.697,991 6.061,992 5.333,993 4.71,994 5.223,995 1.875,996 6.845,997 4.591,998 6.357,999 1.684,1000 7.589,1001 4.482,1002 4.111,1003 4.902,1004 0.57,1005 7.636,1006 3.951,1007 7.644,1008 1.548,1009 9.217,1010 4.065,1011 6.267,1012 7.395,1013 1.438,1014 10.76,1015 6.048,1016 8.967,1017 1.202,1018 10.906,1019 3.656,1020 6.538,1021 7.972,1022 0.479,1023 12.413,1024 6.287,1025 10.326,1026 1.134,1027 12.636,1028 2.715,1029 8.099,1030 9.893,1031 1.155,1032 15.008,1033 7.795,1034 11.711,1035 1,1036 14.393,1037 2.623,1038 8.79,1039 10.909,1040 0.346,1041 17.019,1042 8.46,1043 13.115,1044 1,1045 16.171,1046 2.509,1047 10.088,1048 12.581,1049 0.931,1050 19.424,1051 9.713,1052 3.062,1053 1,1054 17.963,1055 2.234,1056 10.988,1057 13.823,1058 0.237,1059 21.593,1060 10.589,1061 3.025,1062 10.261,1063 19.766,1064 2.136,1065 12.17,1066 15.382,1067 0.742,1068 23.928,1069 11.732,1070 2.701,1071 9.702,1072 21.578,1073 4.46,1074 13.172,1075 16.74,1076 0.158,1077 26.168,1078 12.71,1079 2.684,1080 8.629,1081 23.397,1082 3.926,1083 14.303,1084 18.25,1085 0.583,1086 28.48,1087 13.808,1088 2.356,1089 7.985,1090 25.222,1091 3.664,1092 15.356,1093 19.667,1094 0.104,1095 30.754,1096 14.836,1097 2.098,1098 7.027,1099 27.052,1100 2.972,1101 16.467,1102 21.158,1103 0.452,1104 33.059,1105 15.918,1106 1.865,1107 6.16,1108 28.885,1109 2.929,1110 17.545,1111 22.606,1112 0.068,1113 35.35,1114 16.971,1115 18128,1116 28523,1117 28.315,1118 41.569,1119 59.609,1120 59.989,1121 59.583,1122 59.452,1123 59.429,1124 75.7,1125 8.24,1126 166.663,1127 55.843,1128 5.517,1129 5.243,1130 6.323,1131 5.141,1132 5.062,1133 7.46,1134 1.72,1135 17.103,1136 4.99,1138 1.49,1139 1.5,1140 1.49,1141 1.486,1142 1.486,1143 1.892,1144 0.206,1145 4.167,1146 1.396,1147 4.11,1148 4.154,1149 4.073,1150 3.995,1151 5.112,1152 4.008,1153 3.998,1154 4.041,1155 3.947,1156 3.885,1157 5.003,1158 3.894,1159 3.81,1160 3.869,1161 3.767,1162 3.627,1163 4.758,1164 3.654,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.621,1172 3.666,1173 3.505,1174 3.437,1175 4.553,1176 3.445,1177 3.359,1178 3.435,1179 3.275,1180 3.162,1181 4.427,1182 3.178,1183 3.126,1184 3.206,1185 3.04,1186 2.941,1187 4.093,1188 2.944,1189 3.111,1190 3.206,1191 2.913,1192 2.941,1193 3.995,1194 2.91,1195 0.113,1196 0.081,1197 0.163,1198 0.101,1199 0.077,1200 4.517,1201 0.111,1202 3.243,1203 0.022,1204 6.521,1205 0.257,1206 4.038,1207 0.075,1208 3.062,1209 4.46,1210 0.86,1211 10.261,1212 2.99,1213 1.949,1214 1.919,1215 2.045,1216 2.089,1217 1.27,1218 2.078,1219 1.931,1220 1.901,1221 2.02,1222 2.041,1223 1.19,1224 2.036,1225 1.718,1226 1.667,1227 1.905,1228 1.933,1229 1.157,1230 1.927,1231 1.683,1232 1.624,1233 1.833,1234 1.916,1235 0.993,1236 1.894,1237 1.573,1238 1.524,1239 1.765,1240 1.768,1241 0.825,1242 1.77,1243 1.312,1244 1.232,1245 1.513,1246 1.639,1247 0.825,1248 1.59,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.781,1254 1.429,1255 1.153,1256 1.064,1257 1.456,1258 1.376,1259 0.407,1260 1.429,1261 4.394,1263 5.707,1264 2.398,1265 7.219,1266 4.595,1267 8.818,1268 6.605,1269 10.462,1277 6.469,1278 6.815,1279 11.12,1282 4.728,1289 39.869,1290 99.866,1291 225.633,1292 278.162,1293 299.814,1294 302.569,1295 302.569,1296 40.656,1297 8.522,1298 103.46,1299 103.46,1300 35,1301 12.779,1302 4.524,1303 3.585,1304 46.942,1305 161,1306 135,1307 0.137,1308 239.291,1309 402.48,1310 575.631,1311 70235,1313 23.451,1314 0.67,1315 0.554,1316 23.451,1317 19.406,1318 17.315,1319 0.433,1320 0.298,1321 11.682,1322 16.426,1323 11.529,1324 9.425,1325 17.315,1326 11.914,1327 15.305,1328 0.278,1329 0.156,1330 15.305,1331 8.589,1332 13.178,1333 0.178,1334 0.085,1335 13.178,1336 6.314,1337 11.631,1338 0.116,1339 0.045,1340 11.631,1341 4.508,1342 9.474,1343 0.075,1344 0.024,1345 9.474,1346 3.033,1347 0.217,1348 109.672,1349 0.188,1350 32.218,1351 0.373,1352 190,1353 534.695,1354 211.799,1355 510.543,1356 716.68,1357 486,1358 224,1359 540.794,1360 246.606,1361 542.83,1362 797.26,1363 513,1364 6.52}
{0 CHEMBL1271287,1 1.585,2 12.171,3 3.692,4 13.633,5 136.726,6 7.502,7 0.55,8 4.277,9 4.407,10 3.866,11 3.748,12 5.324,13 3.755,14 4.835,15 5.014,16 4.208,17 4.145,18 5.845,19 4.132,20 5.055,21 5.278,22 4.208,23 4.289,24 5.968,25 4.227,26 5.05,27 5.283,28 4.167,29 4.307,30 5.941,31 4.209,32 5.104,33 5.359,34 4.175,35 4.294,36 5.98,37 4.21,38 5.07,39 5.303,40 4.24,41 4.269,42 5.994,43 4.212,44 5.091,45 5.325,46 4.215,47 4.278,48 6.015,49 4.208,50 5.169,51 5.434,52 4.128,53 4.263,54 6.016,55 4.167,56 0.08,57 1.028,58 13.239,59 5.072,60 9.452,61 6.962,62 0.432,63 1.621,64 26.236,65 8.347,66 31.408,67 11.604,68 0.613,69 1.9,70 34.645,71 10.524,72 38.984,73 15.546,74 0.36,75 1.918,76 33.608,77 12.323,78 33.324,79 18.078,80 0.416,81 1.936,82 37.209,83 11.752,84 41.243,85 17.952,86 0.52,87 1.925,88 35.274,89 10.794,90 38.344,91 16.089,92 0.629,93 1.955,94 35.825,95 10.608,96 41.994,97 16.268,98 0.596,99 1.942,100 41.108,101 12.378,102 46.718,103 18.682,105 55,106 0.251,107 0.573,108 0.705,109 0.755,110 0.762,111 0.762,112 3.589,113 0.894,114 -3.3,115 -3.29,116 -3.15,118 39.7,124 8,138 7,139 1,140 4,141 1,142 1,143 1,146 1,147 1,163 1,167 3,170 1,171 7,173 3,175 5,178 5,181 2,182 2,184 1,186 3,188 1,191 1,192 8,195 3,196 2,197 5,199 1,203 1,204 7,211 2,214 4,215 4,218 1,220 4,223 3,227 3,228 4,231 3,233 2,240 3,243 3,244 1,245 2,247 3,251 4,252 2,260 4,264 2315,265 24.601,266 24.601,267 24.601,268 24.601,269 24.601,270 22.074,271 39.883,272 14.875,273 25.448,274 19.874,275 19.874,276 19.874,277 19.874,278 19.874,279 16.01,280 74.723,281 7.167,282 21.212,283 4.392,284 2.364,285 1.53,286 1.218,287 1.175,288 1.175,289 4.314,294 1,295 964,296 2.646,299 79.777,300 545.03,303 147.952,307 1.824,308 24.27,311 1,312 0.5,313 1,314 0.8,315 0.5,316 1,317 1,318 0.83,319 76,320 426,321 4.517,322 3.243,323 6.521,324 4.035,325 3.062,326 4.46,327 0.86,328 10.261,329 2.98,330 4.323,331 3.122,332 6.311,333 3.979,334 3.025,335 3.926,336 0.86,337 9.702,338 2.887,339 4.069,340 3.013,341 6.016,342 3.625,343 2.701,344 3.664,345 0.8,346 8.629,347 2.494,348 3.795,349 2.843,350 5.682,351 3.608,352 2.684,353 2.972,354 0.8,355 7.985,356 2.478,357 3.613,358 2.558,359 5.381,360 3.3,361 2.356,362 2.929,363 0.4,364 7.027,365 2.219,366 3.449,367 2.347,368 5.127,369 3.047,370 2.098,371 2.754,372 0.4,373 6.16,374 1.992,375 3.19,376 2.25,377 4.811,378 2.811,379 1.865,380 2.419,382 5.333,383 1.757,384 3.048,385 2.114,386 4.457,387 2.618,388 1.697,389 2.321,391 4.482,392 1.568,393 2.942,394 1.863,395 4.283,396 2.604,397 1.684,398 2.007,400 4.065,401 1.535,402 2.838,403 1.548,404 4.101,405 2.531,406 1.548,407 1.879,409 3.656,410 1.52,411 2.664,412 1.52,413 3.515,414 2.137,415 1.202,416 1.74,417 2.715,418 1.121,419 2.5,420 1.288,421 3.498,422 2.021,423 1.134,424 1.5,425 2.623,426 0.995,427 2.238,428 1.256,429 3.472,430 1.971,431 1,432 1.225,433 2.509,434 0.969,435 2.166,436 1.256,437 3.412,438 1.952,439 1,440 1.132,441 2.234,442 0.946,443 2.09,444 1.214,445 3.251,446 1.952,447 1,448 1,449 2.136,450 0.946,451 16.367,452 0.468,453 0.615,454 0.018,455 47,456 1.343,457 22,458 0.629,459 25,460 0.714,461 29.369,462 0.839,463 37.633,464 0.597,465 36.14,466 1.033,467 9.353,468 0.267,469 7.962,470 0.227,473 0.293,478 0.948,479 1.481,480 0.768,481 1.165,482 0.822,483 0.968,484 1.413,485 1.14,486 0.993,487 0.952,488 1.081,489 0.92,490 1.191,491 1.012,492 1.072,493 0.899,494 1.078,495 0.954,496 0.484,497 1.131,498 0.93,499 1.189,500 0.621,501 1.142,502 0.793,503 1.034,504 0.891,505 0.955,506 0.845,507 0.928,508 1.012,509 1.068,510 0.956,511 0.974,512 0.911,513 0.955,514 0.89,515 1.101,516 1.069,517 1.054,518 0.954,519 1.069,520 1.007,521 0.96,522 0.988,523 0.978,524 1.142,525 0.976,526 5.5,527 0.139,528 2.667,529 1.75,530 1.191,531 1.003,532 0.616,533 0.316,534 0.205,535 0.172,536 20147,537 49040,538 2.246,539 44.4,541 23,542 1,543 1,544 3,549 1.77,550 2.211,551 3.579,552 0.848,558 99.866,559 1.585,560 3.613,561 4.447,562 4.759,563 4.803,564 4.803,565 2.914,566 4.183,567 5.104,568 3.792,569 2256.43,570 8.974,571 35671.5,576 376.569,577 0.863,578 5.103,579 0.138,580 0.004,581 0.048,582 0.032,583 0.023,584 0.019,585 0.011,586 0.006,587 0.004,588 0.004,589 0.291,590 0.33,591 0.75,593 189.268,594 -0.028,595 -0.243,596 0.082,597 -0.11,598 0.019,599 -0.012,600 -0.156,601 -0.014,602 -0.047,603 0.03,604 -0.015,605 0.005,606 -0.141,607 0.041,608 -0.106,609 0.073,610 -0.119,612 0.136,613 -0.099,614 -0.008,615 -0.157,616 0.122,617 -0.121,618 -0.029,619 -0.038,620 0.076,621 0.033,622 0.017,623 0.071,624 -0.031,625 -0.026,626 0.015,627 -0.011,628 0.028,629 0.004,630 0.05,631 -0.038,632 -0.104,633 -0.104,634 0.001,635 -0.122,636 -0.028,637 -0.01,638 0.02,639 -0.016,640 -0.047,641 0.006,642 1.142,643 2.06,644 0.943,645 37.739,646 1.005,647 1.136,648 2.07,649 4.284,650 0.66,651 3.714,652 4.025,653 4.317,654 4.615,655 4.844,656 4.913,657 5.094,658 5.257,659 5.347,660 5.464,661 7.666,662 0.633,663 472.61,664 3.714,665 5.252,666 6.107,667 6.982,668 7.849,669 8.73,670 9.602,671 10.485,672 11.36,673 12.244,674 12.7,680 2,682 3,684 3,689 2,690 9,691 3,692 1,695 6,697 22,709 2,711 2,716 63,718 22,719 2,720 40,722 68,723 25,724 17,725 6,726 6,728 6,729 7,740 17,741 8,760 28,761 9,762 3,763 10,769 8,775 0.833,776 2,785 1,788 1,793 1,794 5,797 1,818 2,819 5,827 35,833 8,834 2,835 2,838 2,850 3.2,854 2,858 15.833,859 11.083,860 7.611,861 3.775,863 4.34,864 1.509,865 1.034,866 6.578,867 12.863,868 3.951,869 4.535,870 5.125,871 5.732,872 6.233,873 6.515,874 6.918,875 7.348,876 7.566,877 7.958,878 0.875,879 54,880 12.911,881 5.494,882 7.524,883 25.205,884 20.964,885 2.024,886 70.833,890 294.278,891 131.192,892 109.167,894 22,897 131.192,898 316.277,899 109.167,901 26.792,902 75.381,903 84.005,904 83.725,905 15.998,906 270.735,908 294.278,909 240.359,910 22,913 294.278,915 22,917 92.568,918 97.558,919 50.234,921 294.278,922 131.167,923 131.192,926 294.278,927 46.763,928 90.677,929 52.685,930 72.234,931 294.278,932 131.167,933 131.192,935 0.573,936 0.335,937 0.193,938 0.105,939 28,940 10,941 0.088,942 6,943 1,944 1.061,945 4.714,946 344.487,947 0.061,948 33,949 155.525,954 22.402,955 10.278,956 5.147,957 1.909,958 114.504,959 18.031,960 13.502,961 2.914,964 5.38,966 52.685,967 556.637,968 51,980 63.305,981 71.557,983 0.265,984 0.604,985 0.744,986 0.796,987 0.803,988 0.803,989 5.185,990 1.697,991 6.061,992 5.333,993 4.71,994 5.223,995 1.875,996 6.845,997 4.591,998 6.357,999 1.684,1000 7.589,1001 4.482,1002 4.111,1003 4.902,1004 0.57,1005 7.636,1006 3.951,1007 7.644,1008 1.548,1009 9.217,1010 4.065,1011 6.267,1012 7.395,1013 1.438,1014 10.76,1015 6.047,1016 8.967,1017 1.202,1018 10.906,1019 3.656,1020 6.538,1021 7.972,1022 0.479,1023 12.413,1024 6.284,1025 10.326,1026 1.134,1027 12.636,1028 2.715,1029 8.099,1030 9.893,1031 1.155,1032 15.008,1033 7.791,1034 11.711,1035 1,1036 14.393,1037 2.623,1038 8.79,1039 10.909,1040 0.346,1041 17.019,1042 8.453,1043 13.115,1044 1,1045 16.171,1046 2.509,1047 10.088,1048 12.581,1049 0.931,1050 19.424,1051 9.705,1052 3.062,1053 1,1054 17.963,1055 2.234,1056 10.988,1057 13.823,1058 0.237,1059 21.593,1060 10.577,1061 3.025,1062 10.261,1063 19.766,1064 2.136,1065 12.17,1066 15.382,1067 0.742,1068 23.928,1069 11.719,1070 2.701,1071 9.702,1072 21.578,1073 4.46,1074 13.172,1075 16.74,1076 0.158,1077 26.168,1078 12.693,1079 2.684,1080 8.629,1081 23.397,1082 3.926,1083 14.303,1084 18.25,1085 0.583,1086 28.48,1087 13.79,1088 2.356,1089 7.985,1090 25.222,1091 3.664,1092 15.356,1093 19.667,1094 0.104,1095 30.754,1096 14.815,1097 2.098,1098 7.027,1099 27.052,1100 2.972,1101 16.467,1102 21.158,1103 0.452,1104 33.059,1105 15.895,1106 1.865,1107 6.16,1108 28.885,1109 2.929,1110 17.545,1111 22.606,1112 0.068,1113 35.35,1114 16.944,1115 18128,1116 28470,1117 28.315,1118 41.569,1119 59.609,1120 59.989,1121 59.583,1122 59.435,1123 59.429,1124 75.7,1125 8.24,1126 166.663,1127 55.841,1128 5.517,1129 5.243,1130 6.323,1131 5.138,1132 5.062,1133 7.46,1134 1.72,1135 17.103,1136 4.98,1138 1.49,1139 1.5,1140 1.49,1141 1.486,1142 1.486,1143 1.892,1144 0.206,1145 4.167,1146 1.396,1147 4.104,1148 4.148,1149 4.067,1150 3.99,1151 5.114,1152 4.003,1153 3.998,1154 4.04,1155 3.946,1156 3.885,1157 5,1158 3.894,1159 3.81,1160 3.869,1161 3.767,1162 3.628,1163 4.758,1164 3.656,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.621,1172 3.666,1173 3.505,1174 3.437,1175 4.552,1176 3.445,1177 3.389,1178 3.465,1179 3.297,1180 3.187,1181 4.415,1182 3.204,1183 3.122,1184 3.206,1185 3.038,1186 2.941,1187 4.102,1188 2.934,1189 3.111,1190 3.206,1191 2.904,1192 2.941,1193 3.995,1194 2.91,1195 0.113,1196 0.081,1197 0.163,1198 0.101,1199 0.077,1200 4.517,1201 0.111,1202 3.243,1203 0.022,1204 6.521,1205 0.257,1206 4.035,1207 0.075,1208 3.062,1209 4.46,1210 0.86,1211 10.261,1212 2.98,1213 1.945,1214 1.913,1215 2.044,1216 2.088,1217 1.27,1218 2.077,1219 1.926,1220 1.898,1221 2.011,1222 2.029,1223 1.19,1224 2.023,1225 1.719,1226 1.669,1227 1.905,1228 1.933,1229 1.14,1230 1.927,1231 1.683,1232 1.624,1233 1.834,1234 1.907,1235 0.993,1236 1.89,1237 1.573,1238 1.524,1239 1.767,1240 1.767,1241 0.825,1242 1.77,1243 1.359,1244 1.276,1245 1.519,1246 1.695,1247 0.825,1248 1.648,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.784,1254 1.429,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.481,1260 1.429,1261 4.394,1263 5.707,1264 2.398,1265 7.219,1266 4.595,1267 8.818,1268 6.605,1269 10.462,1277 6.463,1278 6.789,1279 11.119,1282 4.726,1289 39.869,1290 99.866,1291 227.633,1292 280.162,1293 299.814,1294 302.569,1295 302.569,1296 40.756,1297 8.522,1298 103.46,1299 103.46,1300 35,1301 12.779,1302 4.524,1303 3.585,1304 46.942,1305 161,1306 135,1307 0.137,1308 239.291,1309 402.48,1310 575.631,1311 70235,1313 23.451,1314 0.67,1315 0.554,1316 23.451,1317 19.406,1318 17.315,1319 0.433,1320 0.298,1321 11.686,1322 16.428,1323 11.535,1324 9.43,1325 17.315,1326 11.918,1327 15.305,1328 0.278,1329 0.156,1330 15.305,1331 8.581,1332 13.178,1333 0.178,1334 0.085,1335 13.178,1336 6.293,1337 11.631,1338 0.116,1339 0.045,1340 11.631,1341 4.501,1342 9.474,1343 0.075,1344 0.024,1345 9.474,1346 3.029,1347 0.217,1348 109.672,1349 0.188,1350 32.218,1351 0.373,1352 190,1353 534.695,1354 211.799,1355 510.446,1356 717.16,1357 486,1358 224,1359 541.865,1360 246.8,1361 543.494,1362 799.18,1363 514,1364 5.456}
{0 CHEMBL1271288,1 1.551,2 12.171,3 4.205,4 17.681,5 138.047,6 7.369,7 0.55,8 4.285,9 4.414,10 3.86,11 3.771,12 5.313,13 3.771,14 4.846,15 5.024,16 4.206,17 4.171,18 5.841,19 4.149,20 5.076,21 5.301,22 4.204,23 4.318,24 5.967,25 4.248,26 5.069,27 5.301,28 4.163,29 4.342,30 5.94,31 4.234,32 5.127,33 5.384,34 4.172,35 4.322,36 5.98,37 4.229,38 5.085,39 5.319,40 4.238,41 4.292,42 5.998,43 4.228,44 5.104,45 5.338,46 4.211,47 4.299,48 6.01,49 4.223,50 5.185,51 5.451,52 4.128,53 4.279,54 6.026,55 4.179,56 0.036,57 1.021,58 13.714,59 5.273,60 8.61,61 7.267,62 0.388,63 1.635,64 26.908,65 8.831,66 31.048,67 12.205,68 0.559,69 1.941,70 35.741,71 11.036,72 37.747,73 16.26,74 0.31,75 1.954,76 34.447,77 13.176,78 32.357,79 19.093,80 0.332,81 1.984,82 38.273,83 12.491,84 39.416,85 18.945,86 0.48,87 1.965,88 36.14,89 11.291,90 38.812,91 16.711,92 0.538,93 1.996,94 36.613,95 11.005,96 39.413,97 16.868,98 0.555,99 2.003,100 41.89,101 12.705,102 45.921,103 19.096,105 55,106 0.245,107 0.559,108 0.695,109 0.754,110 0.766,111 0.766,112 3.589,113 0.904,114 -3.42,115 -3.4,116 -3.25,118 40.6,124 8,138 8,139 1,140 4,141 1,143 1,146 1,147 1,148 1,167 3,170 1,171 6,173 3,175 8,178 6,181 2,186 3,188 3,191 1,192 8,195 3,196 2,197 4,199 3,204 6,211 2,214 4,215 5,218 1,220 5,223 3,227 2,228 4,231 2,233 2,240 3,243 3,244 1,245 2,247 5,251 4,260 4,264 2315,265 24.601,266 24.601,267 24.601,268 24.601,269 24.601,270 22.074,271 39.883,272 14.875,273 25.45,274 19.874,275 19.874,276 19.874,277 19.874,278 19.874,279 16.01,280 74.723,281 7.167,282 21.213,283 4.449,284 2.468,285 1.606,286 1.231,287 1.156,288 1.156,289 4.314,294 1,295 964,296 2.646,299 79.777,300 545.03,303 147.952,307 1.824,308 22.924,311 1,312 0.5,313 1,314 0.8,315 0.5,316 1,317 1,318 0.83,319 75.5,320 426,321 4.517,322 3.243,323 6.521,324 4.038,325 3.062,326 4.46,327 0.86,328 10.261,329 2.992,330 4.323,331 3.122,332 6.311,333 3.979,334 3.025,335 3.926,336 0.86,337 9.702,338 2.887,339 4.069,340 3.013,341 6.016,342 3.624,343 2.701,344 3.664,345 0.8,346 8.629,347 2.492,348 3.795,349 2.843,350 5.682,351 3.608,352 2.684,353 2.972,354 0.8,355 7.985,356 2.478,357 3.613,358 2.558,359 5.381,360 3.298,361 2.356,362 2.929,363 0.4,364 7.027,365 2.214,366 3.449,367 2.347,368 5.127,369 3.039,370 2.098,371 2.754,372 0.4,373 6.16,374 1.972,375 3.19,376 2.25,377 4.811,378 2.807,379 1.865,380 2.419,382 5.333,383 1.75,384 3.048,385 2.114,386 4.457,387 2.617,388 1.697,389 2.321,391 4.482,392 1.566,393 2.942,394 1.863,395 4.283,396 2.604,397 1.684,398 2.007,400 4.065,401 1.542,402 2.838,403 1.548,404 4.101,405 2.544,406 1.548,407 1.879,409 3.656,410 1.535,411 2.664,412 1.52,413 3.515,414 2.137,415 1.202,416 1.74,417 2.715,418 1.121,419 2.5,420 1.288,421 3.498,422 2.021,423 1.134,424 1.5,425 2.623,426 0.995,427 2.238,428 1.256,429 3.472,430 1.971,431 1,432 1.225,433 2.509,434 0.969,435 2.166,436 1.256,437 3.412,438 1.952,439 1,440 1.132,441 2.234,442 0.946,443 2.09,444 1.214,445 3.251,446 1.952,447 1,448 1,449 2.136,450 0.946,451 16.467,452 0.47,453 0.615,454 0.018,455 47,456 1.343,457 22,458 0.629,459 25,460 0.714,461 29.429,462 0.841,463 37.533,464 0.586,465 36.079,466 1.031,467 9.345,468 0.267,469 7.97,470 0.228,473 0.291,478 0.993,479 1.51,480 0.788,481 1.157,482 0.868,483 0.969,484 1.425,485 1.126,486 1.006,487 0.957,488 1.086,489 0.932,490 1.241,491 1.005,492 1.09,493 0.884,494 1.127,495 0.947,496 0.438,497 1.109,498 0.936,499 1.187,500 0.595,501 1.146,502 0.784,503 1.058,504 0.883,505 0.957,506 0.864,507 0.926,508 1.034,509 1.046,510 0.966,511 0.955,512 0.959,513 0.945,514 0.93,515 1.17,516 1.075,517 1.063,518 1.005,519 1.069,520 1.058,521 0.952,522 1.001,523 0.952,524 1.222,525 0.96,526 5.5,527 0.139,528 2.667,529 1.75,530 1.191,531 1.003,532 0.616,533 0.316,534 0.205,535 0.172,536 20147,537 47213,538 2.246,539 45.3,541 24,542 1,543 1,544 3,549 1.77,550 2.211,551 3.579,552 0.82,558 99.256,559 1.551,560 3.532,561 4.394,562 4.769,563 4.844,564 4.844,565 2.914,566 4.183,567 5.104,568 3.792,569 2256.43,570 8.974,571 35671.5,576 384,577 0.863,578 5.103,579 0.138,580 0.004,581 0.048,582 0.032,583 0.023,584 0.019,585 0.011,586 0.006,587 0.004,588 0.004,589 0.291,590 0.33,591 0.75,593 189.268,594 -0.059,595 -0.286,596 0.081,597 -0.108,598 -0.012,599 -0.008,600 -0.132,601 0.002,602 -0.049,603 0.022,604 0.001,605 -0.005,606 -0.163,607 0.054,608 -0.115,609 0.08,610 -0.149,611 0.003,612 0.154,613 -0.082,614 -0.015,615 -0.154,616 0.128,617 -0.124,618 -0.03,619 -0.062,620 0.085,621 0.028,622 0.009,623 0.072,624 -0.023,625 0.006,626 0.012,628 0.023,629 0.007,630 0.028,631 -0.099,632 -0.104,633 -0.119,634 -0.021,635 -0.125,636 -0.034,637 0.017,638 0.01,639 -0.007,640 -0.06,641 0.007,642 1.122,643 2.064,644 0.943,645 37.739,646 1.001,647 1.132,648 2.193,649 4.809,650 0.661,651 3.714,652 4.025,653 4.317,654 4.615,655 4.844,656 4.913,657 5.094,658 5.257,659 5.347,660 5.464,661 7.666,662 0.631,663 471.62,664 3.714,665 5.252,666 6.107,667 6.982,668 7.849,669 8.73,670 9.602,671 10.485,672 11.36,673 12.244,674 10.9,680 2,682 3,684 2,689 2,690 10,691 2,692 1,695 6,697 22,709 2,711 2,716 64,718 22,719 2,720 40,722 69,723 26,724 18,725 6,726 6,728 6,729 7,740 18,741 8,760 29,761 8,762 3,763 9,769 7,775 0.833,776 2,788 1,789 1,793 1,794 5,797 1,818 2,819 5,827 35,833 8,834 2,835 2,838 2,850 3.1,854 2,858 15.833,859 11.217,860 7.611,861 3.849,863 4.34,864 1.509,865 1.038,866 6.622,867 12.863,868 3.951,869 4.535,870 5.125,871 5.732,872 6.233,873 6.515,874 6.918,875 7.348,876 7.566,877 7.958,878 0.875,879 54,880 12.924,881 5.497,882 7.495,883 25.335,884 21.141,885 1.995,886 69.833,890 306.049,891 140.668,892 92.627,894 22,897 140.668,898 328.048,899 92.627,901 26.792,902 84.857,903 67.342,904 81.703,905 18.142,906 282.506,908 306.049,909 233.295,910 22,913 306.049,915 22,917 90.546,918 109.178,919 33.571,921 306.049,922 114.626,923 140.668,926 306.049,927 46.763,928 100.153,929 52.807,930 55.571,931 306.049,932 114.626,933 140.668,935 0.573,936 0.335,937 0.193,938 0.105,939 28,940 10,941 0.087,942 6,943 1,944 1.061,945 4.714,946 344.487,947 0.061,948 33,949 155.525,954 22.463,955 10.318,956 5.172,957 2.201,958 97.841,959 20.359,960 9.206,961 3.246,964 5.58,966 52.807,967 561.343,968 51,980 64.087,981 72.474,983 0.258,984 0.589,985 0.732,986 0.795,987 0.807,988 0.807,989 5.185,990 1.697,991 6.061,992 5.333,993 4.71,994 5.223,995 1.875,996 6.845,997 4.592,998 6.357,999 1.684,1000 7.589,1001 4.482,1002 4.111,1003 4.902,1004 0.57,1005 7.636,1006 3.951,1007 7.644,1008 1.548,1009 9.217,1010 4.065,1011 6.267,1012 7.395,1013 1.438,1014 10.76,1015 6.049,1016 8.967,1017 1.202,1018 10.906,1019 3.656,1020 6.538,1021 7.972,1022 0.479,1023 12.413,1024 6.288,1025 10.326,1026 1.134,1027 12.636,1028 2.715,1029 8.099,1030 9.893,1031 1.155,1032 15.008,1033 7.796,1034 11.711,1035 1,1036 14.393,1037 2.623,1038 8.79,1039 10.909,1040 0.346,1041 17.019,1042 8.461,1043 13.115,1044 1,1045 16.171,1046 2.509,1047 10.088,1048 12.581,1049 0.931,1050 19.424,1051 9.715,1052 3.062,1053 1,1054 17.963,1055 2.234,1056 10.988,1057 13.823,1058 0.237,1059 21.593,1060 10.591,1061 3.025,1062 10.261,1063 19.766,1064 2.136,1065 12.17,1066 15.382,1067 0.742,1068 23.928,1069 11.735,1070 2.701,1071 9.702,1072 21.578,1073 4.46,1074 13.172,1075 16.74,1076 0.158,1077 26.168,1078 12.714,1079 2.684,1080 8.629,1081 23.397,1082 3.926,1083 14.303,1084 18.25,1085 0.583,1086 28.48,1087 13.813,1088 2.356,1089 7.985,1090 25.222,1091 3.664,1092 15.356,1093 19.667,1094 0.104,1095 30.754,1096 14.841,1097 2.098,1098 7.027,1099 27.052,1100 2.972,1101 16.467,1102 21.158,1103 0.452,1104 33.059,1105 15.924,1106 1.865,1107 6.16,1108 28.885,1109 2.929,1110 17.545,1111 22.606,1112 0.068,1113 35.35,1114 16.977,1115 18128,1116 27917,1117 28.315,1118 42.324,1119 59.609,1120 59.989,1121 59.583,1122 59.444,1123 59.429,1124 75.7,1125 8.24,1126 166.663,1127 55.845,1128 5.517,1129 5.243,1130 6.323,1131 5.142,1132 5.062,1133 7.46,1134 1.72,1135 17.103,1136 4.992,1138 1.49,1139 1.5,1140 1.49,1141 1.486,1142 1.486,1143 1.892,1144 0.206,1145 4.167,1146 1.396,1147 4.125,1148 4.163,1149 4.082,1150 4.031,1151 5.055,1152 4.039,1153 4,1154 4.042,1155 3.948,1156 3.887,1157 4.948,1158 3.896,1159 3.812,1160 3.87,1161 3.768,1162 3.63,1163 4.758,1164 3.657,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.621,1172 3.666,1173 3.506,1174 3.437,1175 4.552,1176 3.446,1177 3.404,1178 3.466,1179 3.304,1180 3.268,1181 4.338,1182 3.268,1183 3.127,1184 3.206,1185 3.041,1186 2.941,1187 4.085,1188 2.944,1189 3.111,1190 3.206,1191 2.913,1192 2.941,1193 3.995,1194 2.91,1195 0.113,1196 0.081,1197 0.163,1198 0.101,1199 0.077,1200 4.517,1201 0.111,1202 3.243,1203 0.022,1204 6.521,1205 0.257,1206 4.038,1207 0.075,1208 3.062,1209 4.46,1210 0.86,1211 10.261,1212 2.992,1213 1.949,1214 1.92,1215 2.045,1216 2.089,1217 1.27,1218 2.078,1219 1.932,1220 1.901,1221 2.02,1222 2.042,1223 1.19,1224 2.036,1225 1.718,1226 1.667,1227 1.905,1228 1.933,1229 1.158,1230 1.927,1231 1.683,1232 1.624,1233 1.834,1234 1.916,1235 0.993,1236 1.895,1237 1.573,1238 1.524,1239 1.766,1240 1.769,1241 0.825,1242 1.771,1243 1.481,1244 1.42,1245 1.653,1246 1.692,1247 0.825,1248 1.687,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.781,1254 1.429,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.656,1260 1.429,1261 4.394,1263 5.707,1264 2.398,1265 7.219,1266 4.595,1267 8.818,1268 6.605,1269 10.462,1277 6.507,1278 6.867,1279 11.128,1282 4.74,1289 40.374,1290 99.256,1291 226.026,1292 281.245,1293 305.245,1294 310,1295 310,1296 40.21,1297 8.522,1298 90.57,1299 90.57,1300 35,1301 12.779,1302 4.524,1303 3.585,1304 46.942,1305 161,1306 135,1307 0.137,1308 242.09,1309 408.78,1310 582.458,1311 70235,1313 23.451,1314 0.67,1315 0.558,1316 23.451,1317 19.536,1318 17.315,1319 0.433,1320 0.301,1321 11.836,1322 16.495,1323 11.672,1324 9.544,1325 17.315,1326 12.055,1327 15.305,1328 0.278,1329 0.158,1330 15.305,1331 8.697,1332 13.178,1333 0.178,1334 0.087,1335 13.178,1336 6.424,1337 11.631,1338 0.116,1339 0.046,1340 11.631,1341 4.626,1342 9.474,1343 0.075,1344 0.025,1345 9.474,1346 3.102,1347 0.217,1348 109.172,1349 0.188,1350 32.218,1351 0.373,1352 190,1353 515.05,1354 210.411,1355 492.892,1356 694.44,1357 470,1358 224,1359 523.667,1360 244.857,1361 526.883,1362 776.14,1363 499,1364 6.5}
{0 CHEMBL1271393,1 1.616,2 12.171,3 3.516,4 12.364,5 136.467,6 7.639,7 0.55,8 4.269,9 4.4,10 3.872,11 3.724,12 5.338,13 3.739,14 4.823,15 5.002,16 4.213,17 4.119,18 5.847,19 4.114,20 5.04,21 5.263,22 4.21,23 4.264,24 5.967,25 4.21,26 5.041,27 5.276,28 4.17,29 4.286,30 5.948,31 4.194,32 5.083,33 5.338,34 4.174,35 4.269,36 5.971,37 4.192,38 5.049,39 5.278,40 4.244,41 4.249,42 5.995,43 4.199,44 5.081,45 5.316,46 4.217,47 4.257,48 6.014,49 4.193,50 5.157,51 5.421,52 4.131,53 4.241,54 6.021,55 4.151,56 0.122,57 1.031,58 12.75,59 4.869,60 10.731,61 6.658,62 0.481,63 1.603,64 25.458,65 8.018,66 31.482,67 11.151,68 0.663,69 1.865,70 33.806,71 9.943,72 39.375,73 14.816,74 0.429,75 1.888,76 33.122,77 11.919,78 35,79 17.57,80 0.474,81 1.882,82 36.307,83 11.169,84 41.728,85 17.209,86 0.575,87 1.883,88 33.995,89 10.329,90 38.781,91 15.384,92 0.668,93 1.913,94 35.157,95 10.185,96 42.246,97 15.776,98 0.7,99 1.884,100 40.6,101 11.963,102 50.814,103 18.117,105 55,106 0.257,107 0.577,108 0.7,109 0.75,110 0.757,111 0.757,112 3.589,113 0.884,114 -3.18,115 -3.17,116 -3.05,118 38.7,124 8,138 7,140 4,141 1,142 1,143 1,146 1,148 1,161 1,163 1,167 2,170 1,171 6,173 4,175 5,178 4,181 2,182 3,184 1,186 2,191 1,192 10,195 4,196 2,197 4,199 1,203 1,204 6,211 1,214 5,215 5,218 1,220 4,223 3,227 3,228 3,231 3,233 1,239 1,240 3,243 4,244 1,245 2,247 3,251 4,252 2,260 2,264 2315,265 24.601,266 24.601,267 24.601,268 24.601,269 24.601,270 22.074,271 39.883,272 14.875,273 25.453,274 19.874,275 19.874,276 19.874,277 19.874,278 19.874,279 16.01,280 74.723,281 7.167,282 21.225,283 4.338,284 2.329,285 1.555,286 1.238,287 1.194,288 1.194,289 4.314,294 1,295 964,296 2.646,299 79.777,300 545.03,303 147.952,307 1.824,308 25.333,311 0.75,312 0.5,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.73,319 76.5,320 426,321 4.517,322 3.243,323 6.521,324 4.029,325 3.062,326 4.46,327 0.86,328 10.261,329 2.959,330 4.323,331 3.122,332 6.311,333 3.979,334 3.025,335 3.926,336 0.86,337 9.702,338 2.887,339 4.069,340 3.013,341 6.016,342 3.624,343 2.701,344 3.664,345 0.8,346 8.629,347 2.492,348 3.795,349 2.843,350 5.682,351 3.608,352 2.684,353 2.972,354 0.8,355 7.985,356 2.478,357 3.613,358 2.558,359 5.381,360 3.298,361 2.356,362 2.929,363 0.4,364 7.027,365 2.215,366 3.449,367 2.347,368 5.127,369 3.042,370 2.098,371 2.754,372 0.4,373 6.16,374 1.98,375 3.19,376 2.25,377 4.811,378 2.809,379 1.865,380 2.419,382 5.333,383 1.753,384 3.048,385 2.114,386 4.457,387 2.618,388 1.697,389 2.321,391 4.482,392 1.568,393 2.942,394 1.863,395 4.283,396 2.604,397 1.684,398 2.007,400 4.065,401 1.535,402 2.838,403 1.548,404 4.101,405 2.532,406 1.548,407 1.879,409 3.656,410 1.522,411 2.664,412 1.52,413 3.515,414 2.136,415 1.202,416 1.74,417 2.715,418 1.121,419 2.5,420 1.288,421 3.498,422 2.021,423 1.134,424 1.5,425 2.623,426 1,427 2.238,428 1.256,429 3.472,430 2,431 1,432 1.225,433 2.509,434 0.995,435 2.166,436 1.256,437 3.412,438 1.952,439 1,440 1.132,441 2.234,442 0.946,443 2.09,444 1.214,445 3.251,446 1.952,447 1,448 1,449 2.136,450 0.946,451 16.267,452 0.465,453 0.615,454 0.018,455 47,456 1.343,457 22,458 0.629,459 25,460 0.714,461 29.261,462 0.836,463 37.733,464 0.609,465 36.247,466 1.036,467 9.39,468 0.268,469 7.924,470 0.226,473 0.295,478 0.909,479 1.455,480 0.749,481 1.173,482 0.768,483 0.966,484 1.35,485 1.152,486 0.969,487 0.974,488 1.016,489 0.927,490 1.186,491 1.028,492 1.069,493 0.904,494 1.047,495 0.956,496 0.479,497 1.097,498 0.918,499 1.188,500 0.61,501 1.14,502 0.792,503 1.024,504 0.879,505 0.949,506 0.842,507 0.919,508 0.984,509 1.068,510 0.964,511 1.007,512 0.869,513 0.983,514 0.871,515 1.117,516 1.054,517 1.072,518 0.906,519 1.078,520 0.967,521 0.897,522 0.982,523 0.968,524 1.088,525 0.975,526 5.5,527 0.139,528 2.667,529 1.75,530 1.191,531 1.003,532 0.616,533 0.316,534 0.205,535 0.172,536 20147,537 51057,538 2.246,539 43.5,541 23,543 1,544 3,549 1.77,550 2.211,551 3.579,552 0.877,558 100.21,559 1.616,560 3.625,561 4.399,562 4.716,563 4.761,564 4.761,565 2.914,566 4.183,567 5.104,568 3.792,569 2256.43,570 8.974,571 35671.5,576 369.16,577 0.863,578 5.103,579 0.138,580 0.004,581 0.048,582 0.032,583 0.023,584 0.019,585 0.011,586 0.006,587 0.004,588 0.004,589 0.291,590 0.33,591 0.63,593 189.268,594 -0.001,595 -0.204,596 0.084,597 -0.113,598 0.061,599 -0.017,600 -0.136,601 -0.03,602 -0.036,603 0.016,604 0.005,606 -0.157,607 0.02,608 -0.109,609 0.074,610 -0.119,611 0.002,612 0.148,613 -0.069,614 0.004,615 -0.147,616 0.137,617 -0.112,618 -0.035,619 -0.036,620 0.087,621 0.049,622 0.01,623 0.089,624 -0.026,625 -0.026,626 -0.003,627 -0.031,628 0.036,629 -0.019,630 0.041,631 -0.068,632 -0.095,633 -0.112,634 0.012,635 -0.121,636 -0.002,637 0.041,638 0.028,640 -0.019,641 0.016,642 1.158,643 2.056,644 0.943,645 37.739,646 1.008,647 1.139,648 1.951,649 3.805,650 0.658,651 3.714,652 4.025,653 4.317,654 4.615,655 4.844,656 4.913,657 5.094,658 5.257,659 5.347,660 5.464,661 7.666,662 0.635,663 473.6,664 3.714,665 5.252,666 6.107,667 6.982,668 7.849,669 8.73,670 9.602,671 10.485,672 11.36,673 12.244,674 14.5,680 2,682 3,684 4,689 2,690 8,691 4,692 1,695 6,697 22,709 2,711 2,716 62,718 22,719 2,720 40,722 67,723 24,724 16,725 6,726 6,728 6,729 7,740 16,741 8,760 27,761 10,762 3,763 11,769 9,775 0.833,776 2,788 1,793 1,794 5,797 1,818 2,819 5,827 35,833 8,834 2,835 2,838 2,847 1,850 3.2,854 2,858 15.833,859 10.95,860 7.611,861 3.711,863 4.34,864 1.509,865 1.031,866 6.535,867 12.863,868 3.951,869 4.535,870 5.125,871 5.732,872 6.233,873 6.515,874 6.918,875 7.348,876 7.566,877 7.958,878 0.875,879 54,880 12.895,881 5.489,882 7.552,883 25.076,884 20.792,885 2.052,886 71.833,890 282.506,891 121.716,892 125.708,894 22,897 121.716,898 304.506,899 125.708,901 26.792,902 66.334,903 100.545,904 81.152,905 6.371,906 270.735,908 282.506,909 247.423,910 22,913 282.506,915 22,917 92.568,918 88.081,919 66.775,921 282.506,922 147.707,923 121.716,926 282.506,927 46.335,928 81.63,929 52.685,930 88.774,931 282.506,932 147.707,933 121.716,935 0.573,936 0.335,937 0.193,938 0.105,939 28,940 10,941 0.09,942 6,943 1,944 1.061,945 4.714,946 344.487,947 0.061,948 33,949 155.525,954 22.341,955 10.237,956 5.123,957 1.618,958 131.044,959 15.919,960 17.175,961 2.884,964 5.25,966 52.685,967 551.93,968 51,980 62.523,981 70.64,983 0.271,984 0.609,985 0.739,986 0.792,987 0.8,988 0.8,989 5.185,990 1.697,991 6.061,992 5.333,993 4.71,994 5.223,995 1.875,996 6.845,997 4.589,998 6.357,999 1.684,1000 7.589,1001 4.482,1002 4.111,1003 4.902,1004 0.57,1005 7.636,1006 3.939,1007 7.644,1008 1.548,1009 9.217,1010 4.065,1011 6.267,1012 7.395,1013 1.438,1014 10.76,1015 6.04,1016 8.967,1017 1.202,1018 10.906,1019 3.656,1020 6.538,1021 7.972,1022 0.479,1023 12.413,1024 6.266,1025 10.326,1026 1.134,1027 12.636,1028 2.715,1029 8.099,1030 9.893,1031 1.155,1032 15.008,1033 7.777,1034 11.711,1035 1,1036 14.393,1037 2.623,1038 8.79,1039 10.909,1040 0.346,1041 17.019,1042 8.428,1043 13.115,1044 1,1045 16.171,1046 2.509,1047 10.088,1048 12.581,1049 0.931,1050 19.424,1051 9.682,1052 3.062,1053 1,1054 17.963,1055 2.234,1056 10.988,1057 13.823,1058 0.237,1059 21.593,1060 10.545,1061 3.025,1062 10.261,1063 19.766,1064 2.136,1065 12.17,1066 15.382,1067 0.742,1068 23.928,1069 11.686,1070 2.701,1071 9.702,1072 21.578,1073 4.46,1074 13.172,1075 16.74,1076 0.158,1077 26.168,1078 12.653,1079 2.684,1080 8.629,1081 23.397,1082 3.926,1083 14.303,1084 18.25,1085 0.583,1086 28.48,1087 13.747,1088 2.356,1089 7.985,1090 25.222,1091 3.664,1092 15.356,1093 19.667,1094 0.104,1095 30.754,1096 14.765,1097 2.098,1098 7.027,1099 27.052,1100 2.972,1101 16.467,1102 21.158,1103 0.452,1104 33.059,1105 15.84,1106 1.865,1107 6.16,1108 28.885,1109 2.929,1110 17.545,1111 22.606,1112 0.068,1113 35.35,1114 16.884,1115 18128,1116 29077,1117 28.315,1118 40.813,1119 59.609,1120 59.989,1121 59.583,1122 59.451,1123 59.429,1124 75.7,1125 8.24,1126 166.663,1127 55.815,1128 5.517,1129 5.243,1130 6.323,1131 5.132,1132 5.062,1133 7.46,1134 1.72,1135 17.103,1136 4.959,1138 1.49,1139 1.5,1140 1.49,1141 1.486,1142 1.486,1143 1.892,1144 0.206,1145 4.167,1146 1.395,1147 4.093,1148 4.144,1149 4.061,1150 3.954,1151 5.215,1152 3.973,1153 3.996,1154 4.04,1155 3.946,1156 3.881,1157 5.016,1158 3.891,1159 3.808,1160 3.868,1161 3.766,1162 3.624,1163 4.758,1164 3.652,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.621,1172 3.665,1173 3.505,1174 3.437,1175 4.554,1176 3.445,1177 3.335,1178 3.419,1179 3.26,1180 3.077,1181 4.452,1182 3.113,1183 3.119,1184 3.206,1185 3.035,1186 2.941,1187 4.107,1188 2.933,1189 3.111,1190 3.206,1191 2.905,1192 2.941,1193 3.996,1194 2.91,1195 0.113,1196 0.081,1197 0.163,1198 0.101,1199 0.077,1200 4.517,1201 0.111,1202 3.243,1203 0.022,1204 6.521,1205 0.257,1206 4.029,1207 0.074,1208 3.062,1209 4.46,1210 0.86,1211 10.261,1212 2.959,1213 1.943,1214 1.909,1215 2.044,1216 2.089,1217 1.27,1218 2.077,1219 1.921,1220 1.891,1221 2.005,1222 2.039,1223 1.19,1224 2.03,1225 1.717,1226 1.666,1227 1.905,1228 1.933,1229 1.12,1230 1.927,1231 1.683,1232 1.624,1233 1.833,1234 1.915,1235 0.993,1236 1.893,1237 1.573,1238 1.524,1239 1.765,1240 1.768,1241 0.825,1242 1.77,1243 1.205,1244 1.112,1245 1.513,1246 1.603,1247 0.825,1248 1.528,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.78,1254 1.429,1255 1.153,1256 1.064,1257 1.341,1258 1.376,1259 0.316,1260 1.429,1261 4.394,1263 5.707,1264 2.398,1265 7.219,1266 4.595,1267 8.818,1268 6.605,1269 10.462,1277 6.425,1278 6.737,1279 11.111,1282 4.714,1289 39.363,1290 100.21,1291 224.754,1292 272.754,1293 292.405,1294 295.16,1295 295.16,1296 41.054,1297 8.522,1298 116.35,1299 116.35,1300 35,1301 12.779,1302 4.524,1303 3.585,1304 46.942,1305 161,1306 135,1307 0.137,1308 236.493,1309 396.18,1310 568.804,1311 70235,1313 23.451,1314 0.67,1315 0.551,1316 23.451,1317 19.275,1318 17.315,1319 0.433,1320 0.295,1321 11.547,1322 16.365,1323 11.41,1324 9.326,1325 17.315,1326 11.791,1327 15.305,1328 0.278,1329 0.154,1330 15.305,1331 8.466,1332 13.178,1333 0.178,1334 0.084,1335 13.178,1336 6.186,1337 11.631,1338 0.116,1339 0.044,1340 11.631,1341 4.402,1342 9.474,1343 0.075,1344 0.024,1345 9.474,1346 2.971,1347 0.217,1348 110.126,1349 0.188,1350 32.218,1351 0.373,1352 190,1353 554.34,1354 213.575,1355 528.429,1356 740.68,1357 502,1358 224,1359 562.792,1360 248.743,1361 562.344,1362 824.24,1363 531,1364 5.066}
{0 CHEMBL1271394,1 1.757,2 10.536,3 3.587,4 12.869,5 108.621,6 8.576,7 0.71,8 3.958,9 4.067,10 3.788,11 3.545,12 5.1,13 3.514,14 4.457,15 4.606,16 4.06,17 3.903,18 5.792,19 3.876,20 4.649,21 4.818,22 4.055,23 3.999,24 5.855,25 3.954,26 4.707,27 4.901,28 4.022,29 3.994,30 5.863,31 3.931,32 4.736,33 4.962,34 3.923,35 3.961,36 5.858,37 3.88,38 4.679,39 4.92,40 3.839,41 3.852,42 5.754,43 3.775,44 4.508,45 4.748,46 3.789,47 3.722,48 5.693,49 3.648,50 4.348,51 4.561,52 3.656,53 3.62,54 5.493,55 3.543,56 0.125,57 0.773,58 9.843,59 4.224,60 15.674,61 4.531,62 0.361,63 1.195,64 17.948,65 6.874,66 48.263,67 7.792,68 0.37,69 1.361,70 21.236,71 7.889,72 48.441,73 8.978,74 0.435,75 1.426,76 22.561,77 8.272,78 43.515,79 10.182,80 0.462,81 1.412,82 25.916,83 8.829,84 48.811,85 11.418,86 0.506,87 1.337,88 24.568,89 7.446,90 56.279,91 9.895,92 0.452,93 1.121,94 20.5,95 6.797,96 51.463,97 9.214,98 0.33,99 0.995,100 17.118,101 5.822,102 28.183,103 7.245,104 18,105 45,106 0.295,107 0.626,108 0.776,109 0.871,110 0.886,111 0.886,112 3.375,113 1.003,114 -4.13,115 -4.08,116 -3.86,118 41.3,123 2,138 8,139 1,140 3,141 2,143 1,146 1,148 1,163 1,167 4,170 3,171 6,173 2,175 4,178 6,182 6,186 2,188 2,191 2,192 11,195 2,197 3,199 2,204 5,206 2,211 1,214 1,215 8,218 1,220 3,223 3,227 4,228 2,233 1,235 1,239 1,240 2,243 2,244 1,245 1,247 5,251 2,252 2,260 4,264 1142,265 18.626,266 18.626,267 18.626,268 18.626,269 18.626,270 15.77,271 22.318,272 10.811,273 19.222,274 15.323,275 15.323,276 15.323,277 15.323,278 15.323,279 10.987,280 39.226,281 5.121,282 16.338,283 3.767,284 1.798,285 0.902,286 0.337,287 0.25,288 0.25,289 4.068,293 1,294 1,295 642,296 3.674,299 61.087,300 258.59,303 114.313,307 1.712,308 28.804,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 61,320 295,321 4.805,322 5.18,323 7.116,324 4.187,325 3.32,326 4.665,327 2.95,328 11.69,329 3.054,330 4.563,331 3.324,332 6.75,333 4.13,334 3.169,335 4.478,336 0.8,337 10.975,338 2.858,339 4.157,340 2.907,341 6.075,342 3.718,343 2.782,344 3.748,345 0.4,346 8.746,347 2.593,348 3.894,349 2.767,350 5.592,351 3.487,352 2.542,353 3.413,355 7.66,356 2.392,357 3.624,358 2.558,359 5.249,360 3.157,361 2.213,362 3.016,364 6.494,365 2.08,366 3.251,367 2.189,368 4.951,369 2.785,370 1.828,371 2.538,373 5.534,374 1.743,375 3.048,376 1.863,377 4.472,378 2.536,379 1.548,380 2.321,382 4.33,383 1.528,384 2.983,385 1.548,386 4.206,387 2.479,388 1.515,389 2.165,391 3.699,392 1.454,393 2.69,394 1.348,395 3.745,396 2.187,397 1.233,398 1.774,400 2.831,401 1.173,402 2.609,403 1.233,404 3.492,405 2.1,406 1.11,407 1.653,409 2.533,410 1.095,411 2.5,412 1.004,413 3.466,414 1.97,415 1,416 1.5,417 2.304,418 0.968,419 2.277,420 1,421 3.394,422 1.842,423 0.911,424 1.205,425 2.218,426 0.846,427 1.775,428 0.663,429 3.048,430 1.326,431 0.367,432 0.509,433 0.911,434 0.351,435 1.293,436 0.429,437 2.896,438 0.94,443 1,444 0.152,445 2.708,446 0.381,447 -0.586,448 -0.798,449 -1.454,450 -0.563,451 13.4,452 0.479,453 0.843,454 0.03,455 42.75,456 1.527,457 24,458 0.857,459 18.75,460 0.67,461 18.892,462 0.675,463 29.2,464 0.635,465 32.236,466 1.151,467 8.35,468 0.298,469 5.065,470 0.181,471 0.124,472 0.062,473 0.291,478 0.613,479 1.3,480 0.798,481 1.148,482 0.68,483 0.885,484 0.756,485 1.039,486 0.977,487 1.024,488 0.575,489 0.856,490 1.302,491 1.209,492 1.062,493 1.029,494 1.201,495 1.028,496 1.009,497 1.08,498 0.965,499 1.032,500 0.968,501 1.102,502 0.854,503 1.088,504 0.938,505 0.972,506 0.697,507 1.025,508 1.074,509 0.932,510 0.887,511 0.813,512 0.911,513 0.946,514 0.628,515 0.963,516 0.698,517 0.75,518 0.45,519 0.832,520 0.886,521 0.865,522 1.015,523 0.995,524 0.741,525 1.039,526 6.5,527 0.123,528 3.333,529 2.188,530 1.386,531 0.84,532 0.576,533 0.356,534 0.267,535 0.227,536 10036,537 31034,538 2.085,539 39.1,541 14,543 2,544 2,549 1.709,550 1.942,551 3.395,552 0.318,554 1,558 80.805,559 1.757,560 3.725,561 4.621,562 5.186,563 5.273,564 5.273,565 2.74,566 4.155,567 4.784,568 3.591,569 1357.33,570 8.309,571 18006.3,573 1,575 1,576 254.084,577 1.572,578 4.728,579 0.21,580 0.006,581 0.074,582 0.05,583 0.034,584 0.022,585 0.017,586 0.011,587 0.01,588 0.01,589 0.443,590 0.33,591 1,592 0.744,593 140.718,594 0.075,595 -0.119,596 0.19,597 -0.053,598 -0.164,599 0.018,600 0.16,601 0.072,602 -0.017,603 -0.011,604 0.259,605 0.051,606 -0.269,607 -0.171,608 -0.179,609 -0.09,610 -0.149,611 -0.117,612 -0.074,613 -0.067,614 -0.121,615 -0.137,616 -0.106,617 -0.173,618 -0.009,619 -0.118,620 -0.048,621 -0.064,622 0.026,623 -0.046,624 -0.143,625 0.046,626 -0.017,627 0.042,628 -0.137,629 0.009,630 0.221,631 0.005,632 0.196,633 0.135,634 0.226,635 0.15,636 -0.003,637 0.167,638 -0.076,639 -0.059,640 -0.018,641 -0.092,642 4.205,643 4.749,644 0.75,645 24.128,646 1.014,647 1.127,648 2.905,649 8.439,650 0.699,651 3.466,652 3.829,653 4.078,654 4.331,655 4.522,656 4.543,657 4.691,658 4.736,659 4.787,660 4.89,661 6.631,662 0.672,663 394.5,664 3.466,665 5.03,666 5.883,667 6.777,668 7.645,669 8.537,670 9.412,671 10.302,672 11.18,673 12.069,674 13,682 3,684 3,689 2,690 10,691 3,692 1,695 5,697 22,709 1,711 1,716 46,718 24,719 2,720 31,722 49,723 19,724 17,725 5,726 7,728 4,729 5,740 17,741 2,744 2,747 1,749 2,757 1,760 18,761 7,762 2,763 9,764 1,769 6,775 0.75,776 2,785 1,788 1,793 1,794 3,797 1,819 3,821 1,823 2,827 28,830 1,834 1,838 1,850 4.3,853 2,858 14.417,859 8.883,860 5.944,861 2.432,863 4.4,864 1.576,865 1.029,866 4.754,867 12.042,868 3.807,869 4.491,870 5.054,871 5.653,872 6.16,873 6.397,874 6.829,875 7.165,876 7.405,877 7.81,878 0.857,879 44,880 10.447,881 4.641,882 7.878,883 19.412,884 16.007,885 2.378,886 66.583,889 1,890 188.338,891 131.546,892 88.032,894 44.313,896 6.046,897 125.5,898 232.651,899 88.032,900 15.587,902 81.856,903 118.089,904 65.53,905 6.371,906 164.795,908 188.338,909 213.532,910 44.313,911 6.046,913 188.338,914 44.313,917 57.792,918 105.506,919 56.28,921 188.338,922 132.345,923 131.546,925 6.046,926 188.338,927 16.008,928 112.616,929 34.674,930 94.547,931 188.338,932 132.345,933 131.546,935 0.594,936 0.341,937 0.181,938 0.095,939 23,940 10,941 0.102,942 5,943 1,944 1.095,945 3.936,946 246.517,947 0.095,948 21,949 132.606,953 1,954 18.417,955 7.228,956 3.866,957 1.924,958 115.682,959 17.674,960 12.883,961 2.957,964 2.84,966 34.674,967 452.229,968 44,971 -3.288,973 23.499,980 46.643,981 51.82,983 0.318,984 0.674,985 0.837,986 0.939,987 0.955,988 0.955,989 5.047,990 1.515,991 5.911,992 4.33,993 4.511,994 5.179,995 2.98,996 6.767,997 4.384,998 6.307,999 1.233,1000 7.506,1001 3.699,1002 4.29,1003 5.231,1004 0.325,1005 7.926,1006 4.013,1007 7.662,1008 1.11,1009 9.213,1010 2.831,1011 6.196,1012 7.536,1013 5.03,1014 10.955,1015 5.91,1016 9.06,1017 1,1018 10.988,1019 2.533,1020 6.781,1021 8.406,1022 0.268,1023 12.909,1024 6.33,1025 10.493,1026 0.911,1027 12.807,1028 2.304,1029 8.209,1030 10.223,1031 7.185,1032 15.523,1033 7.736,1034 11.95,1035 0.367,1036 14.655,1037 2.218,1038 9.131,1039 11.451,1040 0.188,1041 17.77,1042 8.51,1043 13.426,1045 16.524,1046 0.911,1047 10.389,1048 13.084,1049 9.348,1050 20.261,1051 9.722,1052 3.32,1053 -0.586,1054 18.409,1056 11.455,1057 14.472,1058 0.125,1059 22.62,1060 10.661,1061 3.169,1062 11.69,1063 20.306,1064 -1.454,1065 12.653,1066 16.035,1067 11.511,1068 25.073,1069 11.794,1070 2.782,1071 10.975,1072 22.212,1073 4.665,1074 13.781,1075 17.496,1076 0.082,1077 27.478,1078 12.811,1079 2.542,1080 8.746,1081 24.126,1082 4.478,1083 14.96,1084 19.031,1085 13.675,1086 29.92,1087 13.914,1088 2.213,1089 7.66,1090 26.045,1091 3.748,1092 16.116,1093 20.526,1094 0.054,1095 32.344,1096 14.969,1097 1.828,1098 6.494,1099 27.97,1100 3.413,1101 17.292,1102 22.052,1103 15.838,1104 34.784,1105 16.063,1106 1.548,1107 5.534,1108 29.898,1109 3.016,1110 18.46,1111 23.563,1112 0.035,1113 37.218,1114 17.138,1115 9520,1116 16905,1117 20.572,1118 32.159,1119 47.448,1120 48.89,1121 47.627,1122 47.235,1123 47.074,1124 65.972,1125 8.3,1126 139.851,1127 44.272,1128 5.605,1129 7.18,1130 6.671,1131 5.266,1132 5.32,1133 7.665,1134 5.9,1135 19.087,1136 5.054,1137 13.75,1138 1.531,1139 1.577,1140 1.536,1141 1.524,1142 1.519,1143 2.128,1144 0.268,1145 4.511,1146 1.428,1147 4.119,1148 4.157,1149 4.735,1150 4.093,1151 7.716,1152 4.02,1153 4.067,1154 4.053,1155 4.074,1156 3.993,1157 6.999,1158 3.977,1159 3.836,1160 3.882,1161 3.834,1162 3.671,1163 5.104,1164 3.68,1165 3.641,1166 3.645,1167 3.666,1168 3.561,1169 4.998,1170 3.51,1171 3.391,1172 3.473,1173 3.304,1174 3.173,1175 4.685,1176 3.192,1177 3.247,1178 3.329,1179 3.114,1180 3.051,1181 4.421,1182 3.056,1183 3.035,1184 3.115,1185 2.914,1186 2.856,1187 4.12,1188 2.861,1189 2.838,1190 2.916,1191 2.668,1192 2.678,1193 3.971,1194 2.663,1195 0.155,1196 0.167,1197 0.23,1198 0.135,1199 0.107,1200 4.805,1201 0.15,1202 5.18,1203 0.095,1204 7.116,1205 0.377,1206 4.187,1207 0.099,1208 3.32,1209 4.665,1210 2.95,1211 11.69,1212 3.054,1213 1.978,1214 1.988,1215 2.031,1216 2.073,1217 1.216,1218 2.085,1219 1.946,1220 1.922,1221 1.99,1222 2.027,1223 1.176,1224 2.044,1225 1.726,1226 1.684,1227 1.812,1228 1.899,1229 0.854,1230 1.89,1231 1.543,1232 1.547,1233 1.59,1234 1.685,1235 0.807,1236 1.732,1237 1.333,1238 1.252,1239 1.575,1240 1.642,1241 0.603,1242 1.61,1243 1.199,1244 1.104,1245 1.436,1246 1.489,1247 0.391,1248 1.503,1249 1.014,1250 0.951,1251 1.226,1252 1.237,1253 0.276,1254 1.245,1255 1.002,1256 0.931,1257 1.222,1258 1.187,1259 0.267,1260 1.208,1261 4.143,1263 5.493,1264 2.398,1265 7.031,1266 4.595,1267 8.651,1268 6.605,1269 10.313,1271 3.09,1278 3.063,1282 1.942,1289 30.906,1290 80.805,1291 171.355,1292 212.574,1293 238.574,1294 242.574,1295 242.574,1296 45.472,1297 7.643,1298 103.87,1299 112.25,1300 23,1301 12.601,1302 4.644,1303 3.807,1304 42.503,1305 114,1306 88,1307 0.184,1308 194.067,1309 319.91,1310 465.282,1311 23376,1313 19.725,1314 0.704,1315 0.575,1316 19.975,1317 16.104,1318 13.415,1319 0.433,1320 0.334,1321 8.507,1322 12.096,1323 8.088,1324 6.751,1325 14.309,1326 10.368,1327 12.933,1328 0.287,1329 0.185,1330 14.32,1331 8.347,1332 10.297,1333 0.178,1334 0.094,1335 11.04,1336 5.436,1337 8.607,1338 0.115,1339 0.048,1340 9.135,1341 3.565,1342 6.841,1343 0.075,1344 0.026,1345 7.327,1346 2.323,1347 0.29,1348 93.279,1349 0.22,1350 26.696,1351 0.502,1352 152,1353 469.578,1354 200.533,1355 480.576,1356 658.51,1357 444,1358 179,1359 473.528,1360 233.238,1361 512.745,1362 738.35,1363 478,1364 7.368}
{0 CHEMBL1287853,1 1.604,2 16.351,3 5.318,4 28.281,5 147.876,6 7.188,7 0.45,8 4.371,9 4.497,10 4.019,11 3.889,12 5.369,13 3.842,14 4.938,15 5.128,16 4.328,17 4.271,18 6.08,19 4.207,20 5.195,21 5.411,22 4.346,23 4.419,24 6.197,25 4.302,26 5.303,27 5.572,28 4.288,29 4.382,30 6.295,31 4.254,32 5.17,33 5.392,34 4.201,35 4.294,36 6.317,37 4.214,38 5.038,39 5.252,40 4.156,41 4.306,42 6.029,43 4.205,44 5.106,45 5.353,46 4.197,47 4.337,48 6.073,49 4.205,50 5.076,51 5.315,52 4.098,53 4.27,54 6.039,55 4.136,56 0.096,57 1.121,58 19.611,59 6.83,60 18.6,61 9.228,62 0.49,63 1.759,64 33.291,65 11.432,66 69.127,67 15.683,68 0.453,69 2.131,70 45.659,71 14.336,72 62.867,73 19.753,74 0.609,75 2.129,76 58.518,77 16.676,78 88.167,79 22.658,80 0.859,81 1.86,82 44.316,83 13.074,84 119.388,85 17.925,86 0.37,87 1.832,88 35.993,89 12.133,90 53.078,91 17.495,92 0.467,93 1.916,94 39.463,95 13.852,96 57.019,97 19.972,98 0.319,99 1.843,100 41.493,101 13.165,102 49.703,103 18.833,104 40,105 57,106 0.249,107 0.563,108 0.739,109 0.802,110 0.808,111 0.808,112 3.641,113 1.052,114 -4.36,115 -4.3,116 -4.05,118 37,119 4,120 2,124 4,128 1,138 8,139 1,140 4,141 1,143 1,146 1,167 6,170 2,171 6,173 5,175 8,178 8,181 1,182 8,186 6,188 3,192 14,195 1,196 1,197 3,199 2,204 11,206 3,207 1,208 2,211 9,215 5,220 4,223 7,227 4,228 3,231 1,233 7,235 12,240 3,243 1,245 2,247 10,251 2,252 4,255 4,256 1,260 9,264 2967,265 24.159,266 24.159,267 24.159,268 24.159,269 24.159,270 21.673,271 38.907,272 14.205,273 24.832,274 19.81,275 19.81,276 19.81,277 19.81,278 19.81,279 16.019,280 60.338,281 6.843,282 20.944,283 4.586,284 2.559,285 1.429,286 1.025,287 0.987,288 0.987,289 4.33,294 1,295 1286,296 4.69,299 129.463,300 413.698,307 2.793,308 37.72,311 0.75,312 0.5,313 0.67,314 0.9,315 1,316 0.67,317 0.5,318 0.71,319 80,320 605,321 4.875,322 4.691,323 7.355,324 4.393,325 3.462,326 4.71,327 0.86,328 12.764,329 3.215,330 4.278,331 3.18,332 6.348,333 3.927,334 2.968,335 3.92,336 0.8,337 9.713,338 2.825,339 4.053,340 3.08,341 6.116,342 3.85,343 2.905,344 3.635,345 0.4,346 8.997,347 2.743,348 4.028,349 2.946,350 5.584,351 3.632,352 2.674,353 3.424,354 0.4,355 7.669,356 2.563,357 3.829,358 2.827,359 5.38,360 3.469,361 2.541,362 3.019,364 7.068,365 2.356,366 3.611,367 2.666,368 5.354,369 3.387,370 2.427,371 2.921,373 6.985,374 2.339,375 3.53,376 2.481,377 5.274,378 3.225,379 2.282,380 2.599,382 6.721,383 2.133,384 3.302,385 2.094,386 4.901,387 2.867,388 1.93,389 2.526,391 5.645,392 1.799,393 3.055,394 1.746,395 4.679,396 2.6,397 1.625,398 2.249,400 4.64,401 1.581,402 2.795,403 1.615,404 4.159,405 2.38,406 1.414,407 1.915,409 3.671,410 1.361,411 2.61,412 1.465,413 3.609,414 2.301,415 1.353,416 1.654,417 3.011,418 1.278,419 2.5,420 1.208,421 3.514,422 2.108,423 1.114,424 1.5,425 2.545,426 1.105,427 2.449,428 1.176,429 3.414,430 2,431 1,432 1.448,433 2.275,434 1,435 1.996,436 1,437 3.281,438 1.865,439 0.942,440 0.978,441 2.074,442 0.861,443 1.628,444 0.744,445 3.222,446 1.591,447 0.618,448 0.618,449 1.372,450 0.6,451 17.733,452 0.479,453 1.187,454 0.032,455 46.5,456 1.257,457 22.5,458 0.608,459 24,460 0.649,461 36.06,462 0.975,463 41.667,464 0.571,465 38.172,466 1.032,467 8.57,468 0.232,469 9.001,470 0.243,471 0.15,472 0.075,473 0.22,478 0.719,479 1.52,480 0.881,481 1.309,482 0.729,483 1.07,484 0.79,485 1.115,486 0.851,487 0.985,488 0.506,489 0.939,490 1.222,491 1.245,492 1.186,493 1.163,494 0.945,495 1.153,496 1.121,497 0.95,498 1.18,499 1.079,500 1.11,501 0.835,502 1.818,503 0.874,504 1.063,505 0.797,506 2.326,507 0.883,508 1.125,509 1.135,510 0.958,511 0.987,512 0.964,513 1.074,514 0.508,515 1.033,516 0.805,517 0.961,518 0.459,519 1.012,520 0.81,521 1.214,522 1.129,523 1.266,524 0.742,525 1.167,526 10.5,527 0.301,528 3.556,529 2.66,530 1.801,531 1.08,532 0.94,533 0.66,534 0.432,535 0.325,536 24047,537 57016,538 2.026,539 49.3,540 3,541 16,543 1,544 3,546 13,549 1.776,550 1.881,551 3.948,552 0.809,558 117.093,559 1.604,560 3.63,561 4.761,562 5.165,563 5.203,564 5.203,565 3.422,566 4.757,567 5.176,568 4.193,569 2792.67,570 9.083,571 48931,576 451.857,577 1.595,578 5.121,579 0.262,580 0.008,581 0.062,582 0.051,583 0.035,584 0.022,585 0.02,586 0.014,587 0.01,588 0.009,589 0.493,590 0.17,591 0.63,592 0.989,593 209.085,594 0.058,595 -0.223,596 0.187,597 -0.097,598 -0.15,600 0.243,601 0.031,602 0.122,603 0.041,604 0.343,605 0.055,606 -0.14,607 -0.145,608 -0.125,609 -0.124,610 -0.057,611 -0.174,612 -0.014,613 0.021,614 0.056,615 0.021,616 0.093,617 0.154,618 -0.192,619 0.098,620 -0.094,621 0.122,622 -0.238,623 0.048,624 -0.171,625 -0.069,626 -0.098,627 -0.031,628 -0.155,629 -0.082,630 0.187,631 -0.006,632 0.083,633 0.011,634 0.127,635 -0.004,636 -0.015,637 -0.164,638 -0.103,639 -0.217,640 0.012,641 -0.156,642 4.57,643 5.733,644 0.622,645 54.171,646 0.999,647 1.134,648 3.134,649 9.82,650 0.65,651 3.714,652 4.06,653 4.205,654 4.443,655 4.575,656 4.585,657 4.745,658 4.836,659 4.963,660 5.037,661 9.572,662 0.608,663 524.76,664 3.714,665 5.273,666 6.089,667 6.971,668 7.801,669 8.682,670 9.52,671 10.401,672 11.244,673 12.124,674 8.2,676 1,677 1,682 2,684 2,690 9,691 2,695 7,697 18,709 2,714 1,716 73,718 20,719 2,720 40,722 76,723 27,724 16,725 4,726 8,728 4,729 4,732 4,735 2,738 2,740 16,741 11,742 1,744 2,747 1,749 2,760 36,761 9,762 3,763 10,764 1,769 6,775 1,776 3,788 1,790 1,793 1,794 3,816 1,819 4,821 1,823 4,827 37,831 1,833 6,834 3,835 1,838 1,839 1,850 4.1,853 2,855 1,858 19.667,859 14.017,860 7.861,861 4.35,863 3.545,864 1.437,865 0.964,866 8.705,867 11.661,868 3.951,869 4.549,870 4.968,871 5.486,872 5.979,873 6.102,874 6.499,875 6.833,876 7.231,877 7.58,878 0.909,879 52,880 13.95,881 6.082,882 7.712,883 26.502,884 21.758,885 2.212,886 81.833,890 388.446,891 161.664,892 89.122,894 55.313,896 5.807,897 155.857,898 443.759,899 89.122,900 35.301,901 15.979,902 98.022,903 89.655,904 74.686,905 4.227,906 376.675,908 388.446,909 244.979,910 55.313,911 5.807,913 235.422,914 208.337,917 117.777,918 93.631,919 39.378,921 388.446,922 144.435,923 161.664,925 5.807,926 388.446,927 35.699,928 123.283,929 52.426,930 88.884,931 388.446,932 144.435,933 161.664,935 0.591,936 0.311,937 0.164,938 0.083,939 26,940 12,941 0.145,942 11,944 1,945 4.817,946 337.331,948 23,949 175.995,953 1,954 27.337,955 11.782,956 8.141,958 144.435,959 16.084,960 8.979,964 4.288,966 52.426,967 694.546,968 51,971 -3.654,973 25.467,980 72.923,981 82.766,983 0.259,984 0.587,985 0.769,986 0.834,987 0.841,988 0.841,989 5.212,990 1.93,991 6.125,992 6.721,993 4.745,994 5.236,995 1.406,996 6.946,997 4.636,998 6.444,999 1.625,1000 7.698,1001 5.645,1002 4.575,1003 5.286,1004 0.325,1005 8.148,1006 4.397,1007 7.784,1008 1.414,1009 9.383,1010 4.64,1011 6.428,1012 7.476,1013 0.977,1014 11.101,1015 6.196,1016 9.161,1017 1.353,1018 11.138,1019 3.671,1020 7.022,1021 8.306,1022 0.268,1023 13.112,1024 6.712,1025 10.572,1026 1.114,1027 12.94,1028 3.011,1029 8.424,1030 10.069,1031 0.74,1032 15.723,1033 8.06,1034 12.008,1035 1,1036 14.777,1037 2.545,1038 9.347,1039 11.257,1040 0.188,1041 18.053,1042 8.901,1043 13.463,1044 0.942,1045 16.64,1046 2.275,1047 10.598,1048 12.868,1049 0.571,1050 20.591,1051 10.093,1052 3.462,1053 0.618,1054 18.525,1055 2.074,1056 11.672,1057 14.232,1058 0.125,1059 23.047,1060 11.084,1061 2.968,1062 12.764,1063 20.428,1064 1.372,1065 12.878,1066 15.788,1067 0.439,1068 25.577,1069 12.224,1070 2.905,1071 9.713,1072 22.346,1073 4.71,1074 14.025,1075 17.241,1076 0.082,1077 28.084,1078 13.288,1079 2.674,1080 8.997,1081 24.277,1082 3.92,1083 15.225,1084 18.78,1085 0.334,1086 30.617,1087 14.416,1088 2.541,1089 7.669,1090 26.219,1091 3.635,1092 16.408,1093 20.277,1094 0.054,1095 33.145,1096 15.518,1097 2.427,1098 7.068,1099 28.169,1100 3.424,1101 17.614,1102 21.814,1103 0.252,1104 35.684,1105 16.648,1106 2.282,1107 6.985,1108 30.127,1109 3.019,1110 18.818,1111 23.334,1112 0.035,1113 38.221,1114 17.771,1115 23005,1116 35731,1117 26.118,1118 47.466,1119 59.697,1120 60.566,1121 59.67,1122 59.577,1123 59.554,1124 75.473,1125 4.92,1126 172.829,1127 56.49,1128 5.834,1129 6.691,1130 7.013,1131 5.484,1132 5.462,1133 7.71,1134 1.72,1135 20.441,1136 5.215,1137 20.779,1138 1.492,1139 1.514,1140 1.492,1141 1.489,1142 1.489,1143 1.887,1144 0.123,1145 4.321,1146 1.412,1147 4.095,1148 4.093,1149 4.737,1150 4.071,1151 7.717,1152 3.99,1153 3.952,1154 3.981,1155 3.925,1156 3.844,1157 6.999,1158 3.846,1159 3.856,1160 3.921,1161 3.803,1162 3.706,1163 5.025,1164 3.71,1165 3.819,1166 3.86,1167 3.714,1168 3.678,1169 4.832,1170 3.675,1171 3.721,1172 3.775,1173 3.664,1174 3.604,1175 4.699,1176 3.591,1177 3.509,1178 3.502,1179 3.491,1180 3.414,1181 4.406,1182 3.344,1183 3.405,1184 3.466,1185 3.252,1186 3.207,1187 4.367,1188 3.205,1189 3.19,1190 3.278,1191 3.055,1192 2.976,1193 4.255,1194 2.989,1195 0.122,1196 0.117,1197 0.184,1198 0.11,1199 0.087,1200 4.875,1201 0.118,1202 4.691,1203 0.022,1204 7.355,1205 0.319,1206 4.393,1207 0.08,1208 3.462,1209 4.71,1210 0.86,1211 12.764,1212 3.215,1213 1.972,1214 1.975,1215 2.011,1216 2.071,1217 1.224,1218 2.091,1219 1.892,1220 1.865,1221 1.989,1222 2.016,1223 1.211,1224 2.017,1225 1.774,1226 1.735,1227 1.955,1228 1.937,1229 1.152,1230 1.942,1231 1.71,1232 1.656,1233 1.868,1234 1.868,1235 1.108,1236 1.881,1237 1.59,1238 1.516,1239 1.86,1240 1.821,1241 1.058,1242 1.828,1243 1.577,1244 1.507,1245 1.824,1246 1.751,1247 0.954,1248 1.793,1249 1.358,1250 1.384,1251 1.511,1252 1.52,1253 0.787,1254 1.57,1255 1.206,1256 1.136,1257 1.423,1258 1.475,1259 0.553,1260 1.485,1261 4.394,1263 5.733,1264 2.398,1265 7.236,1266 4.443,1267 8.815,1268 6.26,1269 10.435,1271 7.312,1277 6.521,1278 9.113,1279 5.877,1282 2.425,1283 -0.579,1289 44.362,1290 117.093,1291 265.024,1292 347.553,1293 377.063,1294 379.818,1295 379.818,1296 82.179,1297 8.116,1298 108.48,1299 116.86,1300 23,1301 12.668,1302 4.392,1303 3.585,1304 65.257,1305 211,1306 223,1307 0.146,1308 277.729,1309 480.64,1310 669.419,1311 46497,1313 26.468,1314 0.715,1315 0.614,1316 26.718,1317 22.73,1318 17.571,1319 0.439,1320 0.351,1321 12.501,1322 16.151,1323 11.917,1324 9.999,1325 18.393,1326 14.027,1327 17.312,1328 0.304,1329 0.21,1330 18.598,1331 11.963,1332 12.314,1333 0.187,1334 0.115,1335 13.49,1336 7.56,1337 10.431,1338 0.124,1339 0.065,1340 11.676,1341 5.495,1342 7.585,1343 0.079,1344 0.033,1345 8.295,1346 3.138,1347 0.239,1348 118.193,1349 0.196,1350 34.67,1351 0.374,1352 194,1353 540.001,1354 250.97,1355 544.362,1356 743.53,1357 504,1358 220,1359 527.459,1360 286.601,1361 572.29,1362 826.19,1363 533,1364 5.678}
{0 CHEMBL1289926,1 1.585,2 12.286,3 4.493,4 20.186,5 114.788,6 8.402,7 0.71,8 3.933,9 4.041,10 3.653,11 3.596,12 5.11,13 3.55,14 4.385,15 4.525,16 4.009,17 3.968,18 5.533,19 3.895,20 4.58,21 4.752,22 4.064,23 4.071,24 5.68,25 3.961,26 4.574,27 4.747,28 4.008,29 3.986,30 5.713,31 3.882,32 4.522,33 4.712,34 3.866,35 3.941,36 5.584,37 3.83,38 4.549,39 4.75,40 3.804,41 3.926,42 5.609,43 3.818,44 4.533,45 4.753,46 3.746,47 3.841,48 5.597,49 3.752,50 4.411,51 4.634,52 3.583,53 3.705,54 5.489,55 3.601,56 0.044,57 0.663,58 7.861,59 3.899,60 7.206,61 4.667,62 0.109,63 1.04,64 14.352,65 6.503,66 16.07,67 7.766,68 0.116,69 1.248,70 23.017,71 9.306,72 23.968,73 10.629,74 0.237,75 1.254,76 24.376,77 8.717,78 35.504,79 9.532,80 0.169,81 1.163,82 21.084,83 8.362,84 26.663,85 10.076,86 0.138,87 1.195,88 22.736,89 8.907,90 26.506,91 10.807,92 0.162,93 1.168,94 20.446,95 7.871,96 30.645,97 9.879,98 0.226,99 1.051,100 18.187,101 6.853,102 31.972,103 8.636,104 7,105 42,106 0.266,107 0.591,108 0.757,109 0.886,110 0.91,111 0.91,112 3.374,113 0.931,114 -4.38,115 -4.31,116 -4.07,118 47.8,123 1,132 2,138 10,139 2,140 2,141 1,142 2,148 1,153 1,163 1,167 9,171 6,173 1,175 3,178 14,182 5,186 4,188 10,192 6,197 4,199 11,204 2,206 1,208 3,211 10,214 1,215 6,220 3,223 9,228 6,233 4,235 8,239 1,240 3,243 1,245 3,247 6,252 1,255 1,256 1,257 1,260 7,264 1178,265 19.438,266 19.438,267 19.438,268 19.438,269 19.438,270 16.609,271 7.851,272 11.647,273 19.808,274 15.264,275 15.264,276 15.264,277 15.264,278 15.264,279 10.964,280 5.913,281 5.468,282 15.815,283 3.938,284 2.002,285 1.016,286 0.25,287 0.103,288 0.103,289 4.076,293 1,294 1,295 746,296 3.24,299 63.273,300 256.996,303 111.673,307 2.265,308 17.309,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 59,320 344,321 4.558,322 4.574,323 6.542,324 4.073,325 3.099,326 4.514,327 2.95,328 10.339,329 3.022,330 4.339,331 3.57,332 6.453,333 3.958,334 2.983,335 3.946,336 1.058,337 9.959,338 2.909,339 3.95,340 3.158,341 5.473,342 3.497,343 2.529,344 3.516,346 7.261,347 2.446,348 3.75,349 2.951,350 5.34,351 3.322,352 2.391,353 3.191,355 6.948,356 2.203,357 3.413,358 2.514,359 5.075,360 2.987,361 2.009,362 2.665,364 5.806,365 1.949,366 3.249,367 1.95,368 4.823,369 2.759,370 1.796,371 2.538,373 5.113,374 1.717,375 3.003,376 1.832,377 4.209,378 2.495,379 1.508,380 2.214,382 3.78,383 1.488,384 2.901,385 1.509,386 3.877,387 2.422,388 1.451,389 2.071,391 3.193,392 1.397,393 2.805,394 1.441,395 3.634,396 2.324,397 1.348,398 1.936,400 3.112,401 1.309,402 2.578,403 1.318,404 3.574,405 2.115,406 1.127,407 1.571,409 2.6,410 1.109,411 2.5,412 1.087,413 3.271,414 1.959,415 1,416 1.5,417 2.136,418 0.956,419 2.379,420 1,421 3.247,422 1.761,423 0.775,424 1.189,425 1.809,426 0.763,427 2.025,428 0.825,429 3.073,430 1.439,431 0.47,432 0.712,433 1.123,434 0.452,435 1.491,436 0.772,437 2.904,438 1.222,439 0.264,440 0.308,441 0.431,442 0.248,443 1.36,444 0.554,445 2.467,446 0.925,451 13.767,452 0.492,453 0.516,454 0.018,455 40.75,456 1.455,457 23.5,458 0.839,459 17.25,460 0.616,461 19.057,462 0.681,463 27.633,464 0.601,465 29.3,466 1.046,467 8.308,468 0.297,469 5.433,470 0.194,471 0.061,473 0.291,478 0.701,479 0.947,480 0.711,481 0.794,482 0.605,483 0.785,484 0.78,485 1.016,486 0.846,487 0.875,488 0.654,489 0.878,490 0.986,491 1.052,492 1.185,493 1.11,494 0.91,495 0.971,496 1.434,497 1.148,498 1.327,499 1.247,500 1.576,501 1.084,502 0.966,503 1.005,504 1.076,505 1.072,506 1.032,507 1.033,508 0.836,509 1.124,510 1.134,511 1.167,512 0.77,513 1.067,514 1.14,515 1.06,516 0.859,517 0.893,518 1.043,519 0.942,520 1.026,521 0.963,522 0.953,523 0.92,524 0.935,525 1.012,526 4.5,527 0.082,528 2.889,529 1.667,530 1.067,531 0.761,532 0.515,533 0.327,534 0.271,535 0.158,536 10784,537 29751,538 2.137,539 39.1,541 15,543 1,544 2,549 1.707,550 2.049,551 3.561,552 0.212,554 1,558 72.918,559 1.585,560 3.522,561 4.508,562 5.273,563 5.42,564 5.42,565 3.067,566 4.084,567 4.775,568 3.752,569 1418.13,570 8.285,571 19263.3,573 1,575 1,576 254.084,577 1.198,578 4.76,579 0.145,580 0.005,581 0.069,582 0.04,583 0.029,584 0.022,585 0.015,586 0.01,587 0.01,588 0.008,589 0.352,590 0.17,591 1,592 0.787,593 142.529,594 0.024,595 0.09,596 0.053,597 0.077,598 -0.061,599 0.052,600 0.034,601 0.019,602 0.048,603 0.062,604 0.008,605 0.006,606 -0.072,607 -0.044,608 -0.017,609 -0.004,610 0.01,611 0.003,612 -0.161,613 -0.116,614 -0.125,615 -0.148,616 -0.173,617 -0.136,618 -0.034,619 -0.029,620 -0.055,621 -0.057,622 -0.078,623 -0.058,624 0.015,625 -0.151,626 -0.111,627 -0.154,628 0.034,629 -0.077,630 -0.097,631 -0.08,632 0.008,633 0.003,634 -0.037,635 0.023,636 0.023,637 0.044,638 -0.067,639 -0.022,640 0.002,641 -0.055,642 1.758,643 5.075,644 0.75,645 31.077,646 1,647 1.109,648 3.15,649 9.92,650 0.727,651 3.466,652 3.761,653 4.043,654 4.29,655 4.477,656 4.511,657 4.663,658 4.82,659 4.92,660 5.043,661 7.218,662 0.689,663 386.51,664 3.466,665 4.99,666 5.838,667 6.703,668 7.566,669 8.438,670 9.307,671 10.184,672 11.057,673 11.936,674 8.7,681 1,682 1,684 2,689 2,690 11,691 2,692 1,695 5,697 22,704 1,716 46,718 24,719 2,720 31,722 49,723 22,724 18,725 5,726 7,727 3,728 4,729 5,740 21,741 1,744 2,749 1,751 2,753 1,757 1,760 18,761 4,762 2,763 6,764 1,769 4,775 0.75,776 1,785 1,787 1,793 1,794 3,797 1,811 2,819 3,820 1,821 1,823 1,827 28,834 1,836 1,850 2.2,853 1,858 13.667,859 8.567,860 6.278,861 2.606,863 4.876,864 1.631,865 1.026,866 5.448,867 12.607,868 3.807,869 4.422,870 5.057,871 5.659,872 6.184,873 6.473,874 6.95,875 7.425,876 7.784,877 8.249,878 1,879 42,880 10.281,881 4.312,882 7.685,883 19.632,884 15.861,885 2.185,886 61.167,889 1,890 188.338,891 184.601,892 68.122,894 25.145,896 32.22,897 152.381,898 213.483,899 68.122,900 8.396,901 18.011,902 113.715,903 75.069,904 39.471,905 2.757,906 208.786,908 188.338,909 220.503,910 25.145,911 32.22,913 188.338,914 25.145,917 48.622,918 119.48,919 52.401,920 32.22,921 188.338,922 93.267,923 184.601,926 188.338,927 53.442,928 131.159,929 34.674,930 58.593,931 188.338,932 93.267,933 184.601,935 0.57,936 0.34,937 0.184,938 0.096,939 20,940 8,941 0.102,942 5,943 1,944 1.095,945 4.104,946 238.128,947 0.095,948 21,949 132.606,950 1,954 18.33,955 8.322,956 4.128,957 1.916,958 76.604,959 21.257,960 8.709,961 3.076,964 4.421,966 34.674,967 466.205,968 44,973 12.075,975 3.931,977 -0.092,980 45.996,981 51.029,983 0.287,984 0.638,985 0.816,986 0.955,987 0.981,988 0.981,989 5.007,990 1.451,991 5.796,992 3.78,993 4.443,994 5.109,995 3.027,996 6.581,997 4.374,998 6.215,999 1.348,1000 7.334,1001 3.193,1002 3.892,1003 4.796,1005 7.434,1006 3.786,1007 7.513,1008 1.127,1009 8.974,1010 3.112,1011 6.004,1012 7.347,1013 5.043,1014 10.536,1015 5.873,1016 8.853,1017 1,1018 10.677,1019 2.6,1020 6.33,1021 7.933,1023 12.263,1024 6.166,1025 10.226,1026 0.775,1027 12.422,1028 2.136,1029 7.856,1030 9.887,1031 7.187,1032 14.856,1033 7.673,1034 11.624,1035 0.47,1036 14.196,1037 1.809,1038 8.595,1039 10.918,1041 16.934,1042 8.384,1043 13.042,1044 0.264,1045 15.991,1046 1.123,1047 9.877,1048 12.61,1049 9.348,1050 19.354,1051 9.647,1052 3.099,1054 17.802,1055 0.431,1056 10.814,1057 13.87,1059 21.575,1060 10.559,1061 2.983,1062 10.339,1063 19.625,1065 11.993,1066 15.445,1067 11.511,1068 23.933,1069 11.719,1070 2.529,1071 9.959,1072 21.458,1073 4.514,1074 13.024,1075 16.821,1077 26.212,1078 12.725,1079 2.391,1080 7.261,1081 23.298,1082 3.946,1083 14.161,1084 18.345,1085 13.675,1086 28.547,1087 13.841,1088 2.009,1089 6.948,1090 25.144,1091 3.516,1092 15.236,1093 19.78,1095 30.851,1096 14.892,1097 1.796,1098 5.806,1099 26.995,1100 3.191,1101 16.357,1102 21.285,1103 15.838,1104 33.179,1105 15.992,1106 1.508,1107 5.113,1108 28.85,1109 2.665,1110 17.453,1111 22.75,1113 35.493,1114 17.063,1115 10198,1116 17078,1117 21.266,1118 33.455,1119 46.139,1120 49.301,1121 47.116,1122 45.573,1123 45.498,1124 63.743,1125 8.017,1126 127.22,1127 43.936,1128 5.353,1129 6.574,1130 6.344,1131 5.207,1132 5.099,1133 7.514,1134 5.9,1135 17.118,1136 5.022,1137 10.021,1138 1.488,1139 1.59,1140 1.52,1141 1.47,1142 1.468,1143 2.056,1144 0.259,1145 4.104,1146 1.417,1147 4.114,1148 4.149,1149 4.161,1150 4.04,1151 7.429,1152 4.035,1153 3.914,1154 3.935,1155 3.946,1156 3.861,1157 5.09,1158 3.851,1159 3.863,1160 3.903,1161 3.805,1162 3.767,1163 4.896,1164 3.77,1165 3.473,1166 3.541,1167 3.551,1168 3.386,1169 4.699,1170 3.366,1171 3.449,1172 3.502,1173 3.342,1174 3.201,1175 4.362,1176 3.226,1177 3.18,1178 3.244,1179 3.169,1180 3.071,1181 4.18,1182 3.044,1183 2.988,1184 3.043,1185 2.982,1186 2.85,1187 4.151,1188 2.82,1189 2.919,1190 2.964,1191 2.789,1192 2.789,1193 3.826,1194 2.775,1195 0.147,1196 0.148,1197 0.211,1198 0.131,1199 0.1,1200 4.558,1201 0.146,1202 4.574,1203 0.095,1204 6.542,1205 0.334,1206 4.073,1207 0.097,1208 3.099,1209 4.514,1210 2.95,1211 10.339,1212 3.022,1213 1.957,1214 1.944,1215 2.015,1216 2.012,1217 1.18,1218 2.024,1219 1.883,1220 1.86,1221 1.98,1222 1.978,1223 1.081,1224 1.983,1225 1.831,1226 1.798,1227 1.936,1228 1.928,1229 0.976,1230 1.933,1231 1.509,1232 1.46,1233 1.681,1234 1.735,1235 0.691,1236 1.705,1237 1.385,1238 1.307,1239 1.646,1240 1.679,1241 0.679,1242 1.683,1243 1.107,1244 1.035,1245 1.297,1246 1.345,1247 0.324,1248 1.347,1249 0.986,1250 0.963,1251 1.196,1252 1.196,1253 0.241,1254 1.196,1255 0.95,1256 0.898,1257 1.109,1258 1.042,1259 0.222,1260 1.089,1261 4.143,1263 5.442,1264 2.398,1265 6.942,1266 4.727,1267 8.53,1268 6.823,1269 10.163,1271 1.638,1278 2.686,1280 1.55,1289 31.675,1290 72.918,1291 162.004,1292 207.355,1293 242.574,1294 249.329,1295 249.329,1296 38.591,1297 7.731,1298 70.67,1299 95.97,1300 23,1301 12.474,1302 4.644,1303 3.807,1304 42.629,1305 124,1306 118,1307 0.172,1308 199.404,1309 335.74,1310 478.306,1311 26432,1313 19.347,1314 0.691,1315 0.573,1316 19.7,1317 16.033,1318 13.742,1319 0.443,1320 0.31,1321 8.792,1322 12.917,1323 8.494,1324 7.093,1325 14.15,1326 9.623,1327 11.851,1328 0.282,1329 0.171,1330 12.52,1331 7.197,1332 10.313,1333 0.184,1334 0.095,1335 11.07,1336 5.317,1337 8.487,1338 0.118,1339 0.053,1340 9.367,1341 3.829,1342 6.761,1343 0.078,1344 0.031,1345 7.657,1346 2.697,1347 0.274,1348 89.029,1349 0.217,1350 27.141,1351 0.457,1352 146,1353 406.552,1354 180.387,1355 425.706,1356 591.47,1357 400,1358 171,1359 426.704,1360 201.784,1361 452.166,1362 657.62,1363 427,1364 5}
{0 CHEMBL1336,1 1.965,2 14.281,3 4.176,4 17.437,5 110.459,6 9.685,7 0.529,8 4.003,9 4.1,10 3.755,11 3.517,12 5.316,13 3.555,14 4.496,15 4.622,16 4.2,17 3.853,18 6.254,19 3.888,20 4.687,21 4.837,22 4.212,23 3.955,24 6.089,25 3.972,26 4.729,27 4.888,28 4.278,29 3.87,30 6.302,31 3.909,32 4.633,33 4.809,34 4.034,35 3.794,36 6.141,37 3.811,38 4.604,39 4.799,40 3.841,41 3.776,42 5.894,43 3.752,44 4.507,45 4.685,46 3.977,47 3.684,48 6.22,49 3.67,50 4.383,51 4.577,52 3.681,53 3.61,54 5.663,55 3.582,56 0.311,57 0.902,58 5.104,59 4.001,60 37.643,61 3.787,62 1.055,63 1.686,64 11.815,65 6.648,66 147.525,67 6.555,68 0.943,69 1.452,70 18.483,71 8.178,72 99.294,73 8.02,74 1.323,75 1.452,76 26.239,77 8.848,78 158.001,79 8.205,80 1.117,81 1.415,82 18.246,83 7.271,84 116.513,85 7.605,86 1.027,87 1.273,88 21.288,89 8.134,90 142.434,91 8.546,92 1.184,93 1.129,94 18.324,95 6.854,96 152.715,97 8.195,98 0.73,99 1.053,100 16.236,101 6.388,102 91.483,103 6.945,104 55,105 48,106 0.331,107 0.647,108 0.756,109 0.856,110 0.873,111 0.88,112 3.501,113 0.833,114 -3.51,115 -3.48,116 -3.33,118 43.8,123 1,130 1,138 9,139 1,140 5,141 1,142 1,153 1,154 1,167 4,171 6,173 3,174 1,175 4,178 7,181 1,182 3,184 1,186 5,188 6,191 1,192 4,197 4,199 4,203 1,204 5,206 2,208 6,211 4,215 2,223 4,227 1,228 5,231 1,233 5,235 8,240 2,245 2,247 4,252 4,255 1,257 2,260 2,264 1830,265 20.806,266 20.806,267 20.806,268 20.806,269 20.806,270 18.374,271 27.261,272 12.092,273 21.506,274 16.717,275 16.717,276 16.717,277 16.717,278 16.717,279 12.942,280 35.352,281 5.698,282 17.916,283 3.62,284 1.75,285 1.1,286 0.506,287 0.406,288 0.365,289 4.178,290 1,293 1,294 1,295 952,296 4.416,300 372.995,307 2.451,308 58.279,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 73.833,320 457,321 4.547,322 4.475,323 7.24,324 4.244,325 3.377,326 4.049,327 3.825,328 12.181,329 2.944,330 4.229,331 3.563,332 6.062,333 3.837,334 2.866,335 3.823,336 1.656,337 8.764,338 2.785,339 4.066,340 3.555,341 5.644,342 3.683,343 2.72,344 3.635,345 1.058,346 7.822,347 2.609,348 3.875,349 3.063,350 5.565,351 3.519,352 2.58,353 3.161,354 0.86,355 7.541,356 2.405,357 3.704,358 2.994,359 5.413,360 3.332,361 2.4,362 3.009,363 0.247,364 7.063,365 2.229,366 3.547,367 2.575,368 5.211,369 3.124,370 2.195,371 2.804,373 6.337,374 2.036,375 3.361,376 2.395,377 4.965,378 2.936,379 2.011,380 2.613,382 5.825,383 1.806,384 3.175,385 2.246,386 4.578,387 2.71,388 1.738,389 2.359,391 4.786,392 1.597,393 2.847,394 1.789,395 4.063,396 2.351,397 1.412,398 1.947,400 3.427,401 1.315,402 2.583,403 1.433,404 4.032,405 2.114,406 1.154,407 1.616,409 3.137,410 1.089,411 2.568,412 1.187,413 3.473,414 2.075,415 1.102,416 1.566,417 2.48,418 1.069,419 2.5,420 1.086,421 3.414,422 2,423 1,424 1.5,425 2.275,426 1,427 1.544,428 1,429 3.068,430 1.223,431 0.316,432 0.37,433 0.808,434 0.276,435 1.471,436 0.86,437 2.898,438 1.174,439 0.188,440 0.223,441 0.331,442 0.183,443 1.444,444 0.704,445 2.828,446 1.024,447 0.136,448 0.167,449 0.249,450 0.108,451 14.671,452 0.458,453 1.021,454 0.032,455 43.5,456 1.359,457 22.5,458 0.703,459 21,460 0.656,461 23.394,462 0.731,463 35.129,464 0.732,465 38.162,466 1.193,467 9.153,468 0.286,469 5.998,470 0.187,471 0.187,472 0.034,473 0.307,476 3,478 0.672,479 1.018,480 0.554,481 0.944,482 0.612,483 0.824,484 0.517,485 0.801,486 0.611,487 0.927,488 0.43,489 0.908,490 0.935,491 0.909,492 0.936,493 0.987,494 0.751,495 0.982,496 1.088,497 1.107,498 1.071,499 1.179,500 1.047,501 1.061,502 0.873,503 0.815,504 0.804,505 0.914,506 1.013,507 1.01,508 1.047,509 0.881,510 0.996,511 0.952,512 1.056,513 1.054,514 0.365,515 0.644,516 0.656,517 0.919,518 0.347,519 1.007,520 0.884,521 0.873,522 0.969,523 0.973,524 0.846,525 1.059,526 9,527 0.178,528 3.556,529 2.563,530 1.716,531 0.979,532 0.891,533 0.307,534 0.411,535 0.279,536 15376,537 65351,538 1.968,539 33.3,541 12,543 1,544 3,549 1.738,550 1.803,551 3.763,552 0.946,554 1,558 94.33,559 1.965,560 3.835,561 4.485,562 5.079,563 5.179,564 5.22,565 3.254,566 4.563,567 4.974,568 4.01,569 1989.05,570 8.658,571 31334,576 268.078,577 1.663,578 4.899,579 0.265,580 0.007,581 0.074,582 0.053,583 0.038,584 0.024,585 0.026,586 0.009,587 0.014,588 0.01,589 0.521,590 0.33,591 0.88,592 1.042,593 172.898,594 -0.085,595 -0.089,596 -0.005,597 -0.02,598 -0.105,599 0.022,600 0.329,601 0.244,602 0.097,603 0.014,604 0.36,605 -0.038,606 -0.142,607 -0.113,608 -0.055,609 -0.044,610 -0.061,611 -0.038,612 -0.065,613 -0.162,614 0.01,615 -0.189,616 -0.046,617 -0.097,618 0.026,619 0.089,620 -0.036,621 -0.003,622 -0.075,623 -0.064,624 -0.179,625 -0.018,626 -0.109,627 0.022,628 -0.185,629 -0.009,630 0.46,631 0.153,632 0.226,633 0.031,634 0.427,635 0.014,636 -0.126,637 -0.039,638 -0.089,639 -0.011,640 -0.106,641 -0.021,642 5.892,643 5.121,644 0.563,645 37.637,646 1.048,647 1.144,648 2.279,649 5.192,650 0.691,651 3.555,652 3.892,653 4.06,654 4.263,655 4.431,656 4.394,657 4.533,658 4.489,659 4.554,660 4.605,661 8.626,662 0.696,663 464.86,664 3.555,665 5.106,666 5.927,667 6.801,668 7.638,669 8.511,670 9.353,671 10.224,672 11.071,673 11.94,674 8.3,681 3,684 1,690 10,691 1,695 7,697 18,704 1,714 1,715 1,716 48,718 20,719 2,720 34,722 50,723 21,724 17,725 5,726 7,727 1,728 3,729 3,730 1,731 1,732 1,737 1,740 19,741 2,744 2,749 2,753 2,757 1,758 3,760 16,761 10,762 3,763 11,764 1,769 4,775 1,776 3,787 1,794 3,819 3,823 1,824 1,825 3,827 32,834 3,835 1,839 1,849 4,850 6.3,853 2,855 1,858 17.75,859 8.855,860 6.972,861 2.537,863 3.315,864 1.441,865 0.976,866 7.36,867 10.836,868 3.829,869 4.413,870 4.896,871 5.413,872 5.919,873 5.977,874 6.322,875 6.484,876 6.755,877 7.102,878 1,879 48,880 12.345,881 5.799,882 8.449,883 20.963,884 16.414,885 2.949,886 94.361,890 153.024,891 144.913,892 70.818,893 39.149,894 61.29,895 44.88,897 144.913,898 253.463,899 115.698,900 8.396,901 54.032,902 85.286,903 83.551,904 90.371,905 4.276,906 141.253,907 46.908,908 153.024,909 215.731,910 106.17,911 39.149,913 153.024,914 106.17,917 73.596,918 125.35,919 55.934,921 197.905,922 132.108,923 184.062,926 160.784,927 34.424,928 102.73,929 54.032,930 162.104,931 153.024,932 176.988,933 184.062,935 0.589,936 0.327,937 0.166,938 0.088,939 21,940 11,941 0.1,942 5,944 1,945 4.301,946 271.251,948 18,949 151.245,954 23.544,955 10.003,956 6.443,958 176.988,959 13.766,960 3.94,964 -0.192,966 54.032,967 514.074,968 45,973 23.764,977 -1.095,980 50.32,981 54.906,983 0.352,984 0.687,985 0.803,986 0.909,987 0.927,988 0.935,989 5.072,990 1.738,991 5.953,992 5.825,993 4.575,994 5.1,995 3.38,996 6.765,997 4.44,998 6.3,999 1.412,1000 7.526,1001 4.786,1002 4.369,1003 4.966,1004 3.949,1005 7.861,1006 4.067,1007 7.618,1008 1.154,1009 9.204,1010 3.427,1011 6.225,1012 7.25,1013 5.479,1014 10.845,1015 5.94,1016 8.965,1017 1.102,1018 10.948,1019 3.137,1020 6.77,1021 7.816,1022 6.701,1023 12.764,1024 6.297,1025 10.339,1026 1,1027 12.737,1028 2.48,1029 8.176,1030 9.65,1031 8.067,1032 15.376,1033 7.698,1034 11.73,1035 0.316,1036 14.559,1037 2.275,1038 9.059,1039 10.553,1040 9.391,1041 17.645,1042 8.396,1043 13.137,1044 0.188,1045 16.409,1046 0.808,1047 10.306,1048 12.182,1049 10.736,1050 20.162,1051 9.597,1052 3.377,1053 0.136,1054 18.281,1055 0.331,1056 11.352,1057 13.275,1058 12.075,1059 22.573,1060 10.466,1061 2.866,1062 12.181,1063 20.173,1064 0.249,1065 12.548,1066 14.794,1067 13.417,1068 25.07,1069 11.579,1070 2.72,1071 8.764,1072 22.08,1073 4.049,1074 13.671,1075 15.999,1076 14.758,1077 27.535,1078 12.536,1079 2.58,1080 7.822,1081 24.001,1082 3.823,1083 14.857,1084 17.455,1085 16.1,1086 30.03,1087 13.611,1088 2.4,1089 7.541,1090 25.933,1091 3.635,1092 16.02,1093 18.729,1094 17.441,1095 32.516,1096 14.614,1097 2.195,1098 7.063,1099 27.875,1100 3.161,1101 17.21,1102 20.15,1103 18.783,1104 35.013,1105 15.673,1106 2.011,1107 6.337,1108 29.823,1109 3.009,1110 18.393,1111 21.465,1112 20.124,1113 37.507,1114 16.701,1115 15123,1116 31467,1117 21.671,1118 33.148,1119 51.216,1120 52.199,1121 52.202,1122 50.72,1123 50.392,1124 65.683,1125 15.294,1126 146.047,1127 46.9,1128 5.419,1129 6.475,1130 6.794,1131 5.319,1132 5.377,1133 7.049,1134 5.335,1135 19.593,1136 4.944,1137 20.629,1138 1.506,1139 1.535,1140 1.535,1141 1.492,1142 1.482,1143 1.932,1144 0.45,1145 4.296,1146 1.379,1147 3.988,1148 4.014,1149 4.047,1150 3.891,1151 8.513,1152 3.896,1153 3.924,1154 3.946,1155 3.912,1156 3.836,1157 7.999,1158 3.842,1159 3.837,1160 3.871,1161 3.792,1162 3.731,1163 7.999,1164 3.741,1165 3.482,1166 3.542,1167 3.491,1168 3.207,1169 7.432,1170 3.245,1171 3.442,1172 3.496,1173 3.387,1174 3.162,1175 7.428,1176 3.209,1177 3.276,1178 3.319,1179 3.356,1180 2.98,1181 4.97,1182 3.031,1183 3.003,1184 3.05,1185 3.172,1186 2.805,1187 4.902,1188 2.81,1189 2.947,1190 2.997,1191 2.861,1192 2.786,1193 4.739,1194 2.774,1195 0.134,1196 0.132,1197 0.213,1198 0.125,1199 0.099,1200 4.547,1201 0.119,1202 4.475,1203 0.113,1204 7.24,1205 0.358,1206 4.244,1207 0.087,1208 3.377,1209 4.049,1210 3.825,1211 12.181,1212 2.944,1213 1.911,1214 1.889,1215 1.999,1216 2.036,1217 1.099,1218 2.023,1219 1.886,1220 1.867,1221 1.957,1222 1.995,1223 1.065,1224 1.985,1225 1.8,1226 1.77,1227 1.896,1228 1.931,1229 0.937,1230 1.924,1231 1.382,1232 1.309,1233 1.674,1234 1.68,1235 0.677,1236 1.678,1237 1.278,1238 1.237,1239 1.373,1240 1.597,1241 0.329,1242 1.533,1243 1.076,1244 1.038,1245 1.205,1246 1.406,1247 0.258,1248 1.321,1249 0.961,1250 0.904,1251 1.196,1252 1.199,1253 0.238,1254 1.194,1255 0.887,1256 0.845,1257 1.181,1258 1.11,1259 0.218,1260 1.107,1261 4.234,1263 5.565,1265 7.072,1267 8.658,1269 10.285,1271 1.488,1272 5.568,1273 38.817,1278 7.288,1279 5.658,1283 -4.642,1289 33.422,1290 94.33,1291 184.065,1292 215.284,1293 243.814,1294 248.568,1295 250.568,1296 91.208,1297 7.521,1298 92.35,1299 92.35,1300 18,1301 12.488,1302 4.392,1303 3.585,1304 61.745,1305 169,1306 152,1307 0.177,1308 208.921,1309 376.83,1310 501.528,1311 20990,1312 8.3,1313 23.303,1314 0.728,1315 0.538,1316 21.303,1317 17.213,1318 15.151,1319 0.446,1320 0.278,1321 8.887,1322 14.02,1323 8.726,1324 7.21,1325 14.229,1326 9.441,1327 14.506,1328 0.302,1329 0.141,1330 12.882,1331 6.761,1332 10.793,1333 0.189,1334 0.077,1335 10.512,1336 4.398,1337 8.636,1338 0.123,1339 0.04,1340 7.83,1341 2.808,1342 6.703,1343 0.081,1344 0.021,1345 6.322,1346 1.759,1347 0.289,1348 100.132,1349 0.215,1350 30.681,1351 0.452,1352 164,1353 766.387,1354 212.555,1355 681.716,1356 873.99,1357 628,1358 187,1359 586.788,1360 223.738,1361 579.809,1362 860.84,1363 543,1364 5.721}
{0 CHEMBL1421,1 1.781,2 14.515,3 3.439,4 11.829,5 130.334,6 8.272,7 0.472,8 4.186,9 4.31,10 3.868,11 3.71,12 5.289,13 3.681,14 4.723,15 4.911,16 4.273,17 4.092,18 5.802,19 4.04,20 4.941,21 5.151,22 4.314,23 4.218,24 5.982,25 4.141,26 5.006,27 5.228,28 4.28,29 4.257,30 6.04,31 4.143,32 5.048,33 5.295,34 4.247,35 4.219,36 6.107,37 4.099,38 4.913,39 5.139,40 4.3,41 4.148,42 5.979,43 4.032,44 4.818,45 5.046,46 4.105,47 4.07,48 5.861,49 3.938,50 4.729,51 4.975,52 3.899,53 3.905,54 5.736,55 3.791,56 0.095,57 0.941,58 11.465,59 5.069,60 10.998,61 6.429,62 0.43,63 1.487,64 24.882,65 8.224,66 31.59,67 10.997,68 0.6,69 1.695,70 35.684,71 10.349,72 45.533,73 13.753,74 0.546,75 1.729,76 37.657,77 12.51,78 51.32,79 16.654,80 0.76,81 1.693,82 45.193,83 13.007,84 79.856,85 17.006,86 0.671,87 1.578,88 38.884,89 11.058,90 68.555,91 13.89,92 0.533,93 1.499,94 38.483,95 11.075,96 49.188,97 13.638,98 0.487,99 1.324,100 32.202,101 9.003,102 43.612,103 11.771,104 28,105 50,106 0.289,107 0.627,108 0.771,109 0.863,110 0.863,111 0.863,112 3.531,113 0.988,114 -4.5,115 -4.42,116 -4.17,118 37.3,119 2,124 6,138 4,139 1,140 2,141 1,143 2,145 1,148 1,153 1,157 1,167 4,170 2,171 6,173 3,175 3,178 4,181 1,182 1,184 1,186 5,188 4,191 3,192 4,195 3,197 2,199 5,203 1,204 5,206 1,207 1,211 1,214 2,215 5,218 1,223 5,227 2,228 6,231 2,233 2,235 1,240 1,243 1,245 5,251 3,252 3,255 2,257 2,260 1,264 2001,265 22.195,266 22.195,267 22.195,268 22.195,269 22.195,270 19.929,271 32.957,272 13.115,273 23.048,274 17.742,275 17.742,276 17.742,277 17.742,278 17.742,279 14.303,280 53.106,281 6.184,282 19.239,283 4.101,284 2.018,285 1.131,286 0.568,287 0.568,288 0.568,289 4.224,290 1,294 1,295 1026,296 3.464,299 97.808,300 357.583,307 2.349,308 33.625,311 1,312 0.67,313 1,314 1,315 0.5,316 1,317 1,318 0.88,319 71.833,320 479,321 4.372,322 3.598,323 6.427,324 3.97,325 3.025,326 4.012,327 1.058,328 9.81,329 2.855,330 4.278,331 3.209,332 6.209,333 3.89,334 2.963,335 3.905,336 0.8,337 9.352,338 2.742,339 4.182,340 3.187,341 6.053,342 3.729,343 2.816,344 3.795,345 0.8,346 8.741,347 2.583,348 3.731,349 2.874,350 5.56,351 3.499,352 2.572,353 2.948,354 0.4,355 7.535,356 2.377,357 3.573,358 2.712,359 5.322,360 3.261,361 2.344,362 2.8,364 6.886,365 2.131,366 3.377,367 2.486,368 5.139,369 3.091,370 2.175,371 2.481,373 6.287,374 1.978,375 3.232,376 2.379,377 4.841,378 2.799,379 1.879,380 2.478,382 5.178,383 1.722,384 3.232,385 2.119,386 4.717,387 2.782,388 1.854,389 2.446,391 5.104,392 1.638,393 2.898,394 1.66,395 4.254,396 2.451,397 1.484,398 2.064,400 3.876,401 1.433,402 2.623,403 1.578,404 4.184,405 2.329,406 1.39,407 1.628,409 3.748,410 1.3,411 2.572,412 1.558,413 3.789,414 2.079,415 1.12,416 1.553,417 2.808,418 1.051,419 2.17,420 1.399,421 3.414,422 1.967,423 1.025,424 1.055,425 2.275,426 0.965,427 2.062,428 1.146,429 3.275,430 1.935,431 1,432 1.003,433 1.824,434 0.926,435 2,436 1.064,437 3.163,438 1.528,439 0.688,440 1,441 1.676,442 0.566,443 1.58,444 0.727,445 2.952,446 1.216,447 0.302,448 0.362,449 0.714,450 0.248,451 16.014,452 0.485,453 0.835,454 0.025,455 41.75,456 1.265,457 19,458 0.576,459 22.75,460 0.689,461 31.371,462 0.951,463 36.186,464 0.613,465 31.424,466 0.952,467 8.116,468 0.246,469 7.807,470 0.237,471 0.149,473 0.331,478 0.871,479 1.516,480 0.673,481 0.997,482 0.729,483 0.939,484 0.846,485 1.116,486 0.718,487 0.852,488 0.638,489 0.832,490 1.049,491 1.094,492 0.974,493 0.982,494 0.885,495 0.963,496 0.792,497 1.051,498 0.939,499 1.061,500 0.784,501 1.089,502 1.031,503 0.858,504 0.993,505 0.89,506 0.99,507 0.89,508 1.204,509 0.956,510 0.805,511 0.815,512 1.435,513 0.852,514 0.825,515 1.14,516 1.308,517 1.304,518 0.675,519 1.059,520 0.943,521 1.085,522 1.039,523 1.08,524 0.788,525 0.962,526 7.5,527 0.133,528 3.556,529 2.222,530 1.899,531 1.181,532 0.688,533 0.518,534 0.28,535 0.313,536 16711,537 48685,538 2.061,539 44.1,540 3,541 16,543 1,544 3,545 3,549 1.749,550 1.922,551 3.77,552 0.922,558 105.106,559 1.781,560 3.865,561 4.752,562 5.315,563 5.315,564 5.315,565 3.242,566 4.62,567 5.014,568 3.973,569 2097.49,570 8.765,571 32631.5,576 347.076,577 1.434,578 4.971,579 0.208,580 0.004,581 0.071,582 0.044,583 0.04,584 0.026,585 0.016,586 0.013,587 0.008,588 0.01,589 0.443,590 0.17,591 0.88,592 0.871,593 178.143,594 -0.103,595 -0.284,596 0.036,597 -0.029,598 -0.079,599 -0.005,600 0.046,601 0.031,602 0.118,603 0.1,604 0.062,605 0.096,606 -0.089,607 -0.01,608 -0.037,609 -0.021,610 -0.048,611 -0.022,612 0.071,613 -0.045,614 -0.009,615 -0.095,616 0.049,617 -0.103,618 0.004,619 0.083,620 0.046,621 0.094,622 0.05,623 0.101,624 -0.092,625 0.057,626 0.17,627 0.214,628 -0.151,629 0.114,630 0.027,631 -0.048,632 -0.116,633 -0.117,634 0.047,635 -0.054,636 -0.055,637 -0.037,638 -0.057,639 -0.038,640 0.005,641 0.009,642 1.933,643 5.693,644 0.697,645 39.278,646 1.01,647 1.134,648 3.268,649 10.678,650 0.679,651 3.611,652 3.932,653 4.174,654 4.419,655 4.595,656 4.654,657 4.727,658 4.868,659 4.963,660 5.03,661 8.272,662 0.642,663 488.07,664 3.611,665 5.153,666 5.994,667 6.866,668 7.721,669 8.595,670 9.455,671 10.33,672 11.193,673 12.069,674 11.9,677 1,680 1,681 1,682 1,684 3,690 5,691 3,694 1,695 8,697 17,704 1,709 1,711 1,715 1,716 59,718 18,719 1,720 36,722 62,723 22,724 13,725 3,726 3,727 1,728 4,729 4,730 1,732 3,740 14,741 8,744 1,749 1,753 1,760 26,761 9,762 3,763 11,764 2,769 7,775 1,776 2,777 1,788 1,793 1,794 3,816 1,817 1,819 4,821 1,823 2,824 1,827 33,832 1,833 6,834 2,838 2,844 1,849 1,850 3.4,851 1,853 1,858 17.167,859 11.093,860 7.278,861 3.454,863 3.184,864 1.4,865 0.966,866 7.884,867 11.14,868 3.839,869 4.41,870 4.923,871 5.448,872 5.849,873 6.035,874 6.261,875 6.662,876 7.016,877 7.296,878 0.9,879 50,880 12.193,881 5.129,882 7.771,883 23.249,884 18.825,885 2.271,886 74.944,890 270.735,891 129.4,892 92.627,893 39.149,894 67.828,896 31.278,897 98.122,898 377.712,899 92.627,900 17.65,901 28.539,902 80.588,903 91.977,904 45.578,905 6.014,906 290.242,907 39.149,908 270.735,909 190.749,910 67.828,911 70.426,913 273.063,914 25.145,915 42.683,917 76.873,918 61.191,919 89.505,920 31.278,921 270.735,922 160.455,923 168.548,926 270.735,927 64.797,928 70.851,929 36.022,930 157.334,931 270.735,932 160.455,933 168.548,935 0.58,936 0.336,937 0.181,938 0.095,939 23,940 11,941 0.113,942 7,944 1,945 4.446,946 295.833,948 23,949 157.71,950 1,954 23.984,955 10.847,956 6.05,958 160.455,959 8.899,960 13.38,963 1.238,964 5.123,966 78.705,967 599.738,968 45.5,973 12.693,977 -0.267,980 59.603,981 66.923,983 0.303,984 0.657,985 0.808,986 0.903,987 0.903,988 0.903,989 5.083,990 1.854,991 5.979,992 5.178,993 4.615,994 5.097,995 1.701,996 6.765,997 4.459,998 6.275,999 1.484,1000 7.525,1001 5.104,1002 4.205,1003 4.89,1004 0.57,1005 7.582,1006 3.955,1007 7.573,1008 1.39,1009 9.164,1010 3.876,1011 6.192,1012 7.225,1013 1.5,1014 10.652,1015 5.89,1016 8.9,1017 1.12,1018 10.857,1019 3.748,1020 6.567,1021 7.811,1022 0.479,1023 12.26,1024 6.171,1025 10.257,1026 1.025,1027 12.583,1028 2.808,1029 8.028,1030 9.634,1031 1.472,1032 14.832,1033 7.584,1034 11.634,1035 1,1036 14.333,1037 2.275,1038 8.766,1039 10.595,1040 0.346,1041 16.784,1042 8.236,1043 13.027,1044 0.688,1045 16.099,1046 1.824,1047 10.009,1048 12.196,1049 1.501,1050 19.165,1051 9.429,1052 3.025,1053 0.302,1054 17.878,1055 1.676,1056 10.924,1057 13.348,1058 0.237,1059 21.277,1060 10.265,1061 2.963,1062 9.81,1063 19.668,1064 0.714,1065 12.072,1066 14.841,1067 1.556,1068 23.582,1069 11.36,1070 2.816,1071 9.352,1072 21.465,1073 4.012,1074 13.074,1075 16.092,1076 0.158,1077 25.769,1078 12.288,1079 2.572,1080 8.741,1081 23.27,1082 3.905,1083 14.182,1084 17.529,1085 1.626,1086 28.043,1087 13.339,1088 2.344,1089 7.535,1090 25.08,1091 3.795,1092 15.226,1093 18.834,1094 0.104,1095 30.267,1096 14.314,1097 2.175,1098 6.886,1099 26.894,1100 2.948,1101 16.319,1102 20.242,1103 1.706,1104 32.531,1105 15.348,1106 1.879,1107 6.287,1108 28.713,1109 2.8,1110 17.383,1111 21.575,1112 0.068,1113 34.773,1114 16.347,1115 15991,1116 27529,1117 23.868,1118 40.068,1119 53.852,1120 54.91,1121 55.262,1122 53.389,1123 53.272,1124 67.06,1125 6.117,1126 151.631,1127 49.029,1128 5.372,1129 5.598,1130 6.197,1131 5.109,1132 5.025,1133 7.012,1134 2.117,1135 16.37,1136 4.855,1137 17.595,1138 1.496,1139 1.525,1140 1.535,1141 1.483,1142 1.48,1143 1.863,1144 0.17,1145 4.212,1146 1.362,1147 3.993,1148 4.038,1149 4.246,1150 3.912,1151 7.429,1152 3.896,1153 3.92,1154 3.959,1155 4.011,1156 3.82,1157 6.456,1158 3.802,1159 3.818,1160 3.859,1161 3.872,1162 3.722,1163 5.005,1164 3.706,1165 3.72,1166 3.768,1167 3.641,1168 3.54,1169 4.93,1170 3.553,1171 3.421,1172 3.49,1173 3.369,1174 3.194,1175 4.789,1176 3.196,1177 3.274,1178 3.332,1179 3.265,1180 3.052,1181 4.361,1182 3.062,1183 3.176,1184 3.256,1185 3.233,1186 3.035,1187 4.336,1188 3.014,1189 3.148,1190 3.223,1191 2.993,1192 2.957,1193 4.037,1194 2.958,1195 0.121,1196 0.1,1197 0.179,1198 0.11,1199 0.084,1200 4.372,1201 0.111,1202 3.598,1203 0.029,1204 6.427,1205 0.273,1206 3.97,1207 0.079,1208 3.025,1209 4.012,1210 1.058,1211 9.81,1212 2.855,1213 1.911,1214 1.888,1215 2.006,1216 2.062,1217 1.314,1218 2.049,1219 1.849,1220 1.791,1221 2.005,1222 1.998,1223 1.136,1224 2.007,1225 1.692,1226 1.628,1227 1.843,1228 1.911,1229 0.964,1230 1.898,1231 1.495,1232 1.496,1233 1.677,1234 1.655,1235 0.854,1236 1.659,1237 1.385,1238 1.315,1239 1.545,1240 1.646,1241 0.825,1242 1.631,1243 1.298,1244 1.238,1245 1.532,1246 1.521,1247 0.668,1248 1.532,1249 1.204,1250 1.129,1251 1.513,1252 1.407,1253 0.605,1254 1.459,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.593,1260 1.429,1261 4.29,1263 5.609,1264 2.398,1265 7.111,1266 4.595,1267 8.696,1268 6.581,1269 10.323,1271 3.742,1272 6.22,1276 9.128,1277 4.286,1278 6.061,1282 4.441,1289 37.862,1290 105.106,1291 228.043,1292 280.347,1293 313.566,1294 313.566,1295 313.566,1296 60.808,1297 7.956,1298 106.51,1299 134.75,1300 23,1301 12.611,1302 4.248,1303 3.392,1304 54.607,1305 165,1306 182,1307 0.16,1308 240.898,1309 411.56,1310 579.551,1311 36058,1312 1.7,1313 23.372,1314 0.708,1315 0.608,1316 24.225,1317 20.08,1318 15.923,1319 0.442,1320 0.329,1321 10.585,1322 14.517,1323 10.203,1324 8.418,1325 16.62,1326 11.853,1327 14.445,1328 0.289,1329 0.184,1330 15.485,1331 9.189,1332 11.81,1333 0.185,1334 0.103,1335 12.975,1336 6.588,1337 9.89,1338 0.121,1339 0.056,1340 11.004,1341 4.619,1342 7.523,1343 0.077,1344 0.029,1345 8.334,1346 2.857,1347 0.258,1348 107.355,1349 0.205,1350 31.192,1351 0.419,1352 172,1353 521.84,1354 232.562,1355 553.559,1356 745.38,1357 518,1358 200,1359 507.292,1360 253.281,1361 537.185,1362 787.64,1363 505,1364 9.235}
{0 CHEMBL14762,1 1.5,2 9.462,3 3.181,4 10.12,5 106.143,6 6.817,7 0.571,8 4.034,9 4.18,10 3.519,11 3.496,12 5.088,13 3.472,14 4.572,15 4.785,16 3.856,17 3.869,18 5.559,19 3.815,20 4.81,21 5.061,22 3.912,23 3.985,24 5.757,25 3.906,26 4.882,27 5.147,28 3.89,29 3.981,30 5.84,31 3.892,32 4.843,33 5.117,34 3.806,35 3.913,36 5.833,37 3.834,38 4.671,39 4.9,40 3.827,41 3.894,42 5.652,43 3.838,44 4.764,45 4.999,46 3.846,47 3.969,48 5.745,49 3.896,50 4.877,51 5.132,52 3.736,53 4.031,54 5.779,55 3.9,56 0.052,57 0.803,58 12.071,59 4.161,60 11.302,61 6.38,62 0.304,63 1.233,64 21.878,65 6.999,66 27.887,67 10.721,68 0.365,69 1.431,70 28.413,71 8.106,72 37.986,73 13.299,74 0.425,75 1.463,76 31.008,77 8.473,78 44.897,79 13.926,80 0.557,81 1.385,82 30.377,83 6.812,84 60.496,85 12.199,86 0.263,87 1.314,88 24.475,89 6.143,90 29.225,91 10.697,92 0.429,93 1.397,94 27.167,95 6.888,96 37.375,97 11.79,98 0.346,99 1.421,100 30.375,101 9.501,102 43.03,103 14.901,104 28,105 38,106 0.252,107 0.595,108 0.767,109 0.831,110 0.84,111 0.84,112 3.305,113 0.966,114 -4.72,115 -4.63,116 -4.35,118 36.5,119 3,120 1,124 2,126 2,138 5,139 1,142 1,143 1,146 1,155 1,156 1,167 7,170 3,171 2,173 3,175 2,178 7,181 2,184 1,185 1,186 4,188 3,191 1,192 7,195 3,196 1,197 3,204 5,206 3,208 1,215 9,220 6,228 9,231 1,232 1,233 3,240 6,243 1,245 2,247 5,252 2,257 4,260 9,264 1070,265 17.74,266 17.74,267 17.74,268 17.74,269 17.74,270 15.891,271 24.833,272 10.529,273 18.162,274 13.704,275 13.704,276 13.704,277 13.704,278 13.704,279 10.846,280 38.665,281 4.846,282 14.447,283 4.201,284 2.156,285 1.133,286 0.75,287 0.697,288 0.697,289 3.986,292 1,293 1,294 1,295 513,296 3.742,299 59.154,300 151.285,303 107.706,307 1.462,308 20.389,310 1,311 1,312 1,313 1,314 1,315 0.5,316 1,317 1,318 0.93,319 56,320 246,321 4.656,322 3.293,323 6.805,324 4.159,325 3.226,326 4.614,327 0.657,328 11.227,329 3.01,330 3.93,331 2.838,332 5.977,333 3.583,334 2.649,335 3.451,336 0.4,337 8.354,338 2.519,339 3.863,340 2.769,341 5.526,342 3.513,343 2.542,344 3.308,346 7.443,347 2.438,348 3.663,349 2.587,350 5.342,351 3.398,352 2.436,353 2.987,355 6.952,356 2.327,357 3.239,358 2.136,359 4.978,360 2.952,361 2.021,362 2.306,364 5.785,365 1.874,366 3.071,367 1.937,368 4.958,369 2.77,370 1.826,371 2.2,373 5.252,374 1.72,375 2.908,376 1.584,377 3.925,378 2.48,379 1.49,380 2.069,382 3.199,383 1.474,384 2.568,385 1.191,386 3.675,387 2.039,388 1.129,389 1.595,391 2.828,392 1.027,393 2.5,394 1.075,395 3.61,396 2,397 1,398 1.5,400 2.389,401 1,402 2.196,403 1.003,404 3.247,405 1.865,406 0.926,407 1.132,409 2.136,410 0.867,411 1.759,412 1,413 3.088,414 1.556,415 0.618,416 0.618,417 1.222,418 0.572,419 1.618,420 0.651,421 2.914,422 1.432,423 0.505,424 0.612,425 0.791,426 0.467,427 1.33,428 0.4,429 2.627,430 1.103,431 0.202,432 0.22,433 0.358,434 0.181,435 1,436 -0.155,437 2.618,438 0.611,439 -0.325,440 -0.41,441 -0.788,442 -0.302,443 0.735,444 -0.299,445 2.244,446 0.409,447 -0.52,448 -0.598,449 -1.136,450 -0.481,451 12.233,452 0.471,453 0.554,454 0.021,455 32.5,456 1.25,457 15,458 0.577,459 17.5,460 0.673,461 22.94,462 0.882,463 29.167,464 0.561,465 23.064,466 0.887,467 6.142,468 0.236,469 6.476,470 0.249,471 0.15,473 0.319,478 1.034,479 1.604,480 0.904,481 1.231,482 1.021,483 1.076,484 0.853,485 1.101,486 0.894,487 1.024,488 0.841,489 0.977,490 0.899,491 1.143,492 0.911,493 0.992,494 0.748,495 0.953,496 1.067,497 1.092,498 0.957,499 0.986,500 1.088,501 0.96,502 1.466,503 0.9,504 1.103,505 0.74,506 1.294,507 0.837,508 1.376,509 1.269,510 1.148,511 1.026,512 0.944,513 1.028,514 1.361,515 1.058,516 1.239,517 0.969,518 0.953,519 1.046,520 1.059,521 1.038,522 1.16,523 1.136,524 0.941,525 1.154,526 5,527 0.074,528 2.444,529 1.66,530 1.286,531 0.854,532 0.678,533 0.478,534 0.38,535 0.136,536 7233,537 16884,538 2.037,539 50,540 3,541 11,543 1,544 3,546 8,549 1.698,550 1.902,551 3.228,552 0.974,553 1,554 1,558 77.991,559 1.5,560 3.544,561 4.568,562 4.95,563 5.003,564 5.003,565 2.676,566 4.085,567 4.667,568 3.393,569 1102.79,570 8.128,571 13859,573 1,575 1,576 296.423,577 1.42,578 4.628,579 0.179,580 0.005,581 0.064,582 0.043,583 0.035,584 0.025,585 0.019,586 0.013,587 0.012,588 0.006,589 0.401,590 0.17,591 1,592 1.317,593 126.185,594 -0.083,595 -0.298,596 0.043,597 -0.081,598 -0.128,599 -0.016,600 0.174,601 0.066,602 0.084,603 0.01,604 0.037,605 0.021,606 0.098,607 -0.076,608 0.075,609 -0.017,610 0.07,611 0.018,612 0.056,613 -0.071,614 0.047,615 -0.045,616 -0.034,617 -0.012,618 -0.137,619 0.139,620 -0.066,621 0.129,622 -0.089,623 0.058,624 -0.259,625 -0.097,626 -0.149,627 -0.071,628 -0.113,629 -0.084,630 -0.181,631 0.099,632 -0.233,633 -0.025,634 -0.065,635 -0.111,636 -0.101,637 -0.015,638 -0.191,639 -0.129,640 0.005,641 -0.161,642 1.464,643 3.474,644 0.577,645 24.935,646 0.996,647 1.141,648 3.488,649 12.167,650 0.637,651 3.367,652 3.664,653 3.932,654 4.19,655 4.394,656 4.522,657 4.673,658 4.82,659 4.828,660 4.787,661 5.937,662 0.598,663 354.51,664 3.367,665 4.89,666 5.733,667 6.605,668 7.473,669 8.357,670 9.237,671 10.129,672 11.017,673 11.915,674 11.5,679 2,682 1,684 3,689 2,690 6,691 3,695 3,696 1,697 16,709 2,716 52,718 16,719 1,720 28,722 54,723 19,724 11,725 1,726 5,728 3,729 4,732 4,738 3,740 11,741 8,756 1,757 1,760 26,761 6,762 3,763 7,766 1,769 6,775 0.667,776 1,777 1,788 1,793 1,794 2,797 1,817 1,819 2,823 3,827 26,832 1,833 3,834 2,837 2,850 1.9,851 1,858 13.667,859 9.917,860 5.944,861 3.294,863 2.998,864 1.418,865 0.936,866 6.069,867 10.168,868 3.611,869 4.201,870 4.813,871 5.43,872 5.949,873 6.273,874 6.662,875 7.062,876 7.196,877 7.407,878 1,879 39,880 9.596,881 3.941,882 7.635,883 18.531,884 14.826,885 2.135,886 55.5,889 1,890 270.735,891 98.388,892 88.277,894 42.683,897 98.388,898 313.419,899 88.277,900 26.476,901 4.64,902 90.065,903 108.483,904 7.229,905 4.227,906 258.964,908 270.735,909 186.665,910 42.683,913 176.567,914 94.169,915 42.683,917 47.392,918 52.895,919 86.378,921 270.735,922 130.961,923 98.388,926 270.735,927 15.912,928 84.375,929 36.022,930 93.04,931 270.735,932 130.961,933 98.388,935 0.568,936 0.337,937 0.179,938 0.095,939 17,940 8,941 0.148,942 8,943 1,944 1.133,945 3.729,946 214.862,947 0.133,948 15,949 116.211,954 18.617,955 8.475,956 4.34,957 1.526,958 129.061,959 11.954,960 13.75,964 2.351,965 2.024,966 78.705,967 500.084,968 36,980 51.774,981 59.351,983 0.263,984 0.622,985 0.801,986 0.868,987 0.878,988 0.878,989 4.828,990 1.129,991 5.707,992 3.199,993 4.344,994 4.887,995 0.781,996 6.509,997 4.235,998 6.021,999 1,1000 7.259,1001 2.828,1002 3.892,1003 4.677,1005 7.416,1006 3.73,1007 7.321,1008 0.926,1009 8.913,1010 2.389,1011 5.922,1012 7.114,1013 0.354,1014 10.518,1015 5.695,1016 8.662,1017 0.618,1018 10.627,1019 2.136,1020 6.312,1021 7.805,1023 12.286,1024 6.017,1025 10.039,1026 0.505,1027 12.383,1028 1.222,1029 7.793,1030 9.7,1031 0.157,1032 14.919,1033 7.44,1034 11.444,1035 0.202,1036 14.167,1037 0.791,1038 8.577,1039 10.827,1041 17.057,1042 8.147,1043 12.872,1044 -0.325,1045 15.973,1046 0.358,1047 9.844,1048 12.501,1049 0.069,1050 19.542,1051 9.355,1052 3.226,1053 -0.52,1054 17.797,1055 -0.788,1056 10.822,1057 13.844,1059 21.84,1060 10.252,1061 2.649,1062 11.227,1063 19.635,1064 -1.136,1065 12.008,1066 15.427,1067 0.03,1068 24.277,1069 11.375,1070 2.542,1071 8.354,1072 21.485,1073 4.614,1074 13.08,1075 16.871,1077 26.644,1078 12.367,1079 2.436,1080 7.443,1081 23.346,1082 3.451,1083 14.241,1084 18.418,1085 0.013,1086 29.066,1087 13.461,1088 2.021,1089 6.952,1090 25.215,1091 3.308,1092 15.359,1093 19.909,1095 31.461,1096 14.501,1097 1.826,1098 5.785,1099 27.091,1100 2.987,1101 16.516,1102 21.443,1103 0.006,1104 33.879,1105 15.587,1106 1.49,1107 5.252,1108 28.973,1109 2.306,1110 17.657,1111 22.954,1113 36.287,1114 16.652,1115 7195,1116 11124,1117 18.493,1118 33.103,1119 41.172,1120 41.64,1121 42.947,1122 41.092,1123 41.139,1124 53.225,1125 2.115,1126 115.87,1127 38.951,1128 5.503,1129 5.293,1130 6.607,1131 5.24,1132 5.226,1133 7.614,1134 1.315,1135 18.537,1136 5.01,1137 13.218,1138 1.47,1139 1.487,1140 1.534,1141 1.468,1142 1.469,1143 1.901,1144 0.076,1145 4.138,1146 1.391,1147 4.109,1148 4.166,1149 4.087,1150 3.925,1151 6.456,1152 3.957,1153 3.901,1154 3.936,1155 3.827,1156 3.83,1157 5.145,1158 3.828,1159 3.724,1160 3.791,1161 3.6,1162 3.55,1163 4.754,1164 3.548,1165 3.573,1166 3.646,1167 3.44,1168 3.405,1169 4.57,1170 3.401,1171 3.295,1172 3.383,1173 3.143,1174 3.093,1175 4.246,1176 3.095,1177 3.236,1178 3.329,1179 3.093,1180 2.998,1181 4.099,1182 3.006,1183 3.138,1184 3.211,1185 2.94,1186 2.871,1187 4.078,1188 2.882,1189 2.874,1190 3.009,1191 2.717,1192 2.735,1193 3.748,1194 2.715,1195 0.166,1196 0.118,1197 0.243,1198 0.149,1199 0.115,1200 4.656,1201 0.165,1202 3.293,1203 0.023,1204 6.805,1205 0.401,1206 4.159,1207 0.108,1208 3.226,1209 4.614,1210 0.657,1211 11.227,1212 3.01,1213 1.918,1214 1.885,1215 2.043,1216 2.062,1217 1.23,1218 2.043,1219 1.828,1220 1.779,1221 1.968,1222 1.983,1223 1.17,1224 1.989,1225 1.691,1226 1.625,1227 1.937,1228 1.9,1229 1.148,1230 1.913,1231 1.617,1232 1.555,1233 1.759,1234 1.814,1235 0.837,1236 1.812,1237 1.246,1238 1.166,1239 1.55,1240 1.508,1241 0.688,1242 1.526,1243 1.182,1244 1.1,1245 1.469,1246 1.461,1247 0.623,1248 1.472,1249 1.151,1250 1.067,1251 1.417,1252 1.413,1253 0.469,1254 1.412,1255 0.934,1256 0.821,1257 1.359,1258 1.239,1259 0.353,1260 1.308,1261 4.043,1263 5.342,1264 2.398,1265 6.838,1266 4.727,1267 8.427,1268 6.862,1269 10.069,1271 6.2,1276 9.474,1277 1.473,1278 6.588,1281 0.161,1289 31.111,1290 77.991,1291 184.307,1292 237.529,1293 257.403,1294 260.158,1295 260.158,1296 42.011,1297 7.169,1298 87.89,1299 87.89,1300 17,1301 12.441,1302 4.087,1303 3.17,1304 43.987,1305 90,1306 96,1307 0.238,1308 195.115,1309 323.79,1310 467.841,1311 11364,1313 18.518,1314 0.712,1315 0.595,1316 18.518,1317 15.476,1318 12.618,1319 0.451,1320 0.322,1321 8.887,1322 12.128,1323 8.601,1324 7.244,1325 12.618,1326 9.017,1327 10.91,1328 0.287,1329 0.173,1330 10.91,1331 6.585,1332 9.128,1333 0.183,1334 0.087,1335 9.128,1336 4.327,1337 7.521,1338 0.116,1339 0.042,1340 7.521,1341 2.723,1342 5.813,1343 0.073,1344 0.021,1345 5.813,1346 1.679,1347 0.365,1348 79.084,1349 0.233,1350 24.877,1351 0.678,1352 132,1353 351.396,1354 146.123,1355 343.576,1356 480.25,1357 324,1358 154,1359 363.797,1360 169.15,1361 368.515,1362 541.86,1363 347,1364 5}
{0 CHEMBL1614701,1 2.039,2 9.815,3 3.234,4 10.461,5 102.384,6 10.898,7 0.552,8 3.88,9 3.977,10 3.747,11 3.406,12 5.143,13 3.419,14 4.367,15 4.502,16 4.17,17 3.789,18 5.626,19 3.787,20 4.575,21 4.72,22 4.313,23 3.908,24 5.974,25 3.885,26 4.605,27 4.779,28 4.414,29 3.873,30 5.96,31 3.844,32 4.549,33 4.713,34 4.164,35 3.765,36 6.036,37 3.785,38 4.562,39 4.689,40 4.272,41 3.821,42 6.169,43 3.842,44 4.586,45 4.746,46 4.239,47 3.795,48 5.983,49 3.784,50 4.555,51 4.749,52 4.302,53 3.728,54 5.806,55 3.674,56 0.255,57 0.679,58 3.015,59 3.461,60 19.199,61 3.449,62 0.538,63 1.037,64 9.729,65 5.922,66 42.845,67 5.857,68 0.872,69 1.262,70 23.78,71 7.869,72 71.232,73 7.961,74 0.832,75 1.321,76 33.428,77 8.205,78 63.717,79 8.272,80 0.944,81 1.243,82 17.834,83 7.175,84 108.942,85 7.332,86 1.045,87 1.235,88 16.589,89 7.522,90 112.204,91 6.621,92 0.901,93 1.128,94 16.171,95 7.214,96 90.926,97 6.667,98 0.973,99 1.017,100 26.345,101 8.19,102 84.24,103 7.949,104 42,105 41,106 0.356,107 0.753,108 0.855,109 0.905,110 0.905,111 0.905,112 3.341,113 0.929,114 -4.17,115 -4.11,116 -3.89,117 1,118 40.5,123 1,124 2,138 4,139 1,140 5,142 1,148 1,153 1,155 1,163 1,167 2,170 1,171 2,173 1,175 3,178 4,181 1,182 4,184 1,186 5,188 3,192 2,195 2,196 2,199 3,203 1,206 3,208 1,211 4,214 2,215 2,218 2,220 2,223 3,227 1,228 8,233 4,235 1,240 6,244 1,247 1,252 2,255 1,257 1,264 1213,265 17.922,266 17.922,267 17.922,268 17.922,269 17.922,270 15.746,271 18.997,272 10.554,273 18.585,274 14.227,275 14.227,276 14.227,277 14.227,278 14.227,279 10.912,280 21.153,281 4.957,282 15.422,283 3.353,284 1.078,285 0.494,286 0.208,287 0.208,288 0.208,289 4.016,290 1,293 1,294 1,295 553,296 3.536,299 66.456,300 150.725,303 114.279,307 1.317,308 41.631,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 60.583,320 265,321 4.714,322 4.038,323 6.907,324 4.258,325 3.294,326 4.67,327 2.095,328 11.539,329 3.175,330 4.256,331 3.489,332 6.343,333 3.807,334 2.878,335 3.9,336 0.776,337 9.524,338 2.692,339 4.109,340 3.223,341 6.047,342 3.688,343 2.728,344 3.664,345 0.4,346 8.648,347 2.558,348 3.719,349 3.179,350 5.738,351 3.307,352 2.364,353 3.105,355 7.429,356 2.202,357 3.45,358 2.777,359 5.009,360 2.959,361 2.101,362 2.765,364 5.856,365 1.734,366 3.112,367 2.668,368 4.883,369 2.729,370 1.796,371 2.263,373 5.049,374 1.627,375 2.878,376 2.206,377 4.334,378 2.483,379 1.573,380 2.019,382 3.971,383 1.404,384 2.801,385 1.846,386 4.163,387 2.342,388 1.4,389 1.925,391 3.664,392 1.305,393 2.618,394 1.772,395 3.809,396 2.312,397 1.377,398 1.615,400 3.006,401 1.223,402 2.337,403 1.579,404 3.551,405 1.86,406 0.949,407 1.257,409 2.282,410 0.858,411 1.797,412 1.217,413 3.364,414 1.578,415 0.664,416 0.724,417 1.493,418 0.587,419 1.72,420 0.92,421 2.826,422 1.391,423 0.471,424 0.561,425 0.903,426 0.405,427 1.279,428 0.715,429 2.764,430 0.838,431 -0.006,432 -0.007,433 -0.014,434 -0.004,435 1.065,436 0.527,437 2.432,438 0.65,439 -0.266,440 -0.313,441 -0.551,442 -0.236,443 0.797,444 0.24,445 2.359,446 0.494,447 -0.44,448 -0.521,449 -0.847,450 -0.264,451 13.433,452 0.498,453 0.754,454 0.028,455 34,456 1.259,457 16,458 0.593,459 18,460 0.667,461 24.068,462 0.891,463 29.167,464 0.694,465 26.718,466 0.99,467 6.889,468 0.255,469 6.029,470 0.223,471 0.261,473 0.365,477 1,478 0.744,479 1.144,480 0.484,481 0.767,482 0.662,483 0.773,484 0.938,485 1.005,486 0.584,487 0.67,488 0.73,489 0.712,490 0.871,491 1.093,492 0.976,493 0.962,494 0.846,495 0.946,496 1.02,497 1.14,498 0.708,499 0.893,500 1.089,501 0.94,502 1.119,503 1.081,504 0.409,505 0.733,506 1.342,507 0.779,508 1.29,509 1.367,510 0.662,511 0.939,512 1.494,513 0.967,514 1.248,515 1.075,516 0.652,517 0.902,518 1.308,519 1.005,520 1.15,521 0.893,522 0.901,523 0.854,524 1.013,525 0.892,526 5.5,527 0.123,528 3.778,529 2.194,530 2.129,531 1.285,532 0.801,533 0.585,534 0.417,535 0.198,536 7560,537 31134,538 1.992,539 35.7,541 11,543 1,544 3,549 1.709,550 1.82,551 3.224,552 1.055,554 1,558 85.632,559 2.039,560 4.315,561 4.898,562 5.184,563 5.184,564 5.184,565 2.658,566 4.607,567 4.72,568 3.374,569 1184.36,570 8.245,571 14907.7,576 226.477,577 1.541,578 4.659,579 0.19,580 0.009,581 0.092,582 0.05,583 0.052,584 0.031,585 0.019,586 0.016,587 0.013,588 0.009,589 0.481,590 0.33,591 1,592 1.539,593 131.576,594 -0.069,595 -0.097,596 -0.007,597 0.02,598 -0.089,599 0.025,600 -0.134,601 -0.008,602 0.02,603 0.162,604 -0.061,605 0.145,606 0.06,607 -0.065,608 -0.074,609 -0.024,610 0.037,611 -0.036,612 -0.042,613 -0.023,614 0.063,615 0.006,616 -0.074,617 -0.021,618 0.034,619 0.095,620 0.039,621 0.085,622 0.007,623 0.106,624 0.004,625 -0.046,626 -0.061,627 -0.07,628 0.024,629 -0.135,630 -0.188,631 -0.075,632 -0.026,633 -0.059,634 -0.166,635 -0.131,636 -0.096,637 0.033,638 0.079,639 0.123,640 -0.086,641 0.107,642 2.362,643 7.137,644 0.556,645 23.923,646 1.039,647 1.135,648 2.942,649 8.656,650 0.711,651 3.401,652 3.738,653 4.025,654 4.29,655 4.533,656 4.673,657 4.771,658 4.89,659 4.92,660 4.868,661 5.818,662 0.694,663 457.71,664 3.401,665 4.949,666 5.808,667 6.698,668 7.585,669 8.487,670 9.386,671 10.293,672 11.199,673 12.111,674 9.5,681 1,682 2,684 1,689 2,690 5,691 1,695 6,696 1,697 16,709 1,715 3,716 42,718 17,719 2,720 29,721 1,722 44,723 17,724 13,725 8,726 4,727 1,728 3,729 4,730 1,732 1,740 14,741 3,744 1,749 1,753 1,757 1,758 1,760 15,761 7,762 3,763 10,764 2,766 1,769 4,775 0.667,776 3,777 1,793 1,794 2,797 1,814 1,817 1,819 2,822 1,823 1,824 1,825 1,827 27,832 1,833 2,834 2,835 1,849 3,850 7.1,851 1,853 1,854 1,858 14.833,859 7.779,860 6.028,861 2.231,863 3.269,864 1.449,865 0.962,866 6.34,867 10.541,868 3.664,869 4.314,870 4.943,871 5.554,872 6.11,873 6.5,874 6.891,875 7.294,876 7.528,877 7.756,878 0.857,879 44,880 10.009,881 4.336,882 8.143,883 18.167,884 14.449,885 2.643,886 71.361,889 1,890 141.253,891 92.881,892 103.275,893 39.149,894 79.047,895 14.96,897 138.835,898 259.449,899 72.281,900 8.396,901 25.217,902 80.588,903 78.244,904 46.43,905 17.104,906 129.482,907 85.103,908 141.253,909 150.202,910 94.007,911 39.149,912 45.954,913 156.213,914 25.145,915 53.902,917 55.89,918 77.526,919 55.934,920 45.954,921 156.213,922 136.367,923 177.984,926 141.253,927 37.961,928 56.819,929 84.59,930 149.941,931 141.253,932 151.328,933 177.984,935 0.582,936 0.344,937 0.181,938 0.102,939 19,940 10,941 0.136,942 6,943 1,944 1.133,945 3.693,946 233.122,947 0.133,948 15,949 128.382,954 20.044,955 8.541,956 4.253,957 0.549,958 149.429,959 7.978,960 4.044,964 0.733,965 1.597,966 81.319,967 470.565,968 38,973 12.504,977 -0.679,980 43.64,981 47.653,983 0.378,984 0.8,985 0.908,986 0.961,987 0.961,988 0.961,989 4.905,990 1.4,991 5.814,992 3.971,993 4.419,994 5.001,995 2.425,996 6.663,997 4.272,998 6.142,999 1.377,1000 7.404,1001 3.664,1002 4.111,1003 4.997,1005 7.65,1006 3.868,1007 7.477,1008 0.949,1009 9.097,1010 3.006,1011 6.047,1012 7.302,1013 3.697,1014 10.784,1015 5.807,1016 8.852,1017 0.664,1018 10.848,1019 2.282,1020 6.553,1021 8.124,1023 12.59,1024 6.241,1025 10.26,1026 0.471,1027 12.636,1028 1.493,1029 7.986,1030 9.935,1031 5.14,1032 15.259,1033 7.669,1034 11.692,1035 -0.006,1036 14.45,1037 0.903,1038 8.854,1039 11.129,1041 17.407,1042 8.483,1043 13.142,1044 -0.266,1045 16.283,1046 -0.014,1047 10.104,1048 12.757,1049 6.612,1050 19.918,1051 9.717,1052 3.294,1053 -0.44,1054 18.13,1055 -0.551,1056 11.136,1057 14.125,1059 22.219,1060 10.705,1061 2.878,1062 11.539,1063 19.988,1064 -0.847,1065 12.322,1066 15.684,1067 8.09,1068 24.675,1069 11.869,1070 2.728,1071 9.524,1072 21.855,1073 4.67,1074 13.428,1075 17.135,1077 27.047,1078 12.937,1079 2.364,1080 8.648,1081 23.73,1082 3.9,1083 14.596,1084 18.671,1085 9.57,1086 29.486,1087 14.078,1088 2.101,1089 7.429,1090 25.611,1091 3.664,1092 15.737,1093 20.163,1095 31.892,1096 15.185,1097 1.796,1098 5.856,1099 27.497,1100 3.105,1101 16.904,1102 21.693,1103 11.049,1104 34.328,1105 16.322,1106 1.573,1107 5.049,1108 29.388,1109 2.765,1110 18.062,1111 23.206,1113 36.751,1114 17.448,1115 7581,1116 15494,1117 18.611,1118 29.864,1119 43.574,1120 47.308,1121 46.09,1122 43.577,1123 43.192,1124 56.939,1125 6.542,1126 126.727,1127 39.542,1128 5.603,1129 6.038,1130 6.817,1131 5.307,1132 5.294,1133 7.67,1134 4.191,1135 19.207,1136 5.175,1137 16.18,1138 1.503,1139 1.631,1140 1.589,1141 1.503,1142 1.489,1143 1.963,1144 0.226,1145 4.37,1146 1.364,1147 4.134,1148 4.172,1149 6.88,1150 4.012,1151 8.201,1152 4.031,1153 3.893,1154 3.915,1155 4.119,1156 3.855,1157 7.429,1158 3.837,1159 3.624,1160 3.663,1161 3.944,1162 3.385,1163 6.457,1164 3.42,1165 3.497,1166 3.548,1167 3.569,1168 3.265,1169 4.996,1170 3.279,1171 3.25,1172 3.298,1173 3.38,1174 3.012,1175 4.923,1176 3.034,1177 3.021,1178 3.104,1179 3.238,1180 2.915,1181 4.634,1182 2.872,1183 2.893,1184 2.954,1185 3.16,1186 2.789,1187 4.366,1188 2.763,1189 2.877,1190 2.922,1191 2.813,1192 2.615,1193 4.248,1194 2.65,1195 0.163,1196 0.139,1197 0.238,1198 0.147,1199 0.114,1200 4.714,1201 0.161,1202 4.038,1203 0.072,1204 6.907,1205 0.398,1206 4.258,1207 0.109,1208 3.294,1209 4.67,1210 2.095,1211 11.539,1212 3.175,1213 1.956,1214 1.936,1215 1.996,1216 2.066,1217 1.174,1218 2.048,1219 1.841,1220 1.826,1221 1.887,1222 1.912,1223 1.049,1224 1.922,1225 1.498,1226 1.426,1227 1.738,1228 1.788,1229 0.946,1230 1.766,1231 1.461,1232 1.403,1233 1.693,1234 1.742,1235 0.754,1236 1.729,1237 1.205,1238 1.178,1239 1.302,1240 1.494,1241 0.261,1242 1.436,1243 0.995,1244 0.949,1245 1.179,1246 1.243,1247 0.256,1248 1.226,1249 0.868,1250 0.824,1251 1.129,1252 1.149,1253 0.172,1254 1.176,1255 0.855,1256 0.758,1257 1.085,1258 1.015,1259 0.126,1260 1.058,1261 4.078,1263 5.407,1264 2.398,1265 6.932,1266 4.727,1267 8.558,1268 6.823,1269 10.241,1270 3.304,1271 1.692,1272 6.201,1273 15.137,1276 8.767,1277 -0.363,1278 5.044,1279 4.853,1289 29.154,1290 85.632,1291 181.216,1292 205.722,1293 217.722,1294 217.722,1295 217.722,1296 68.247,1297 7.272,1298 88.41,1299 88.41,1300 17,1301 12.626,1302 4.17,1303 3.322,1304 46.543,1305 89,1306 120,1307 0.25,1308 188.852,1309 322.69,1310 452.558,1311 12800,1312 7.1,1313 19.552,1314 0.724,1315 0.609,1316 20.181,1317 16.435,1318 12.918,1319 0.445,1320 0.31,1321 7.712,1322 11.365,1323 7.489,1324 6.157,1325 13.356,1326 8.977,1327 11.669,1328 0.285,1329 0.169,1330 12.426,1331 6.912,1332 9.859,1333 0.179,1334 0.083,1335 10.171,1336 4.56,1337 7.964,1338 0.111,1339 0.044,1340 8.532,1341 3.189,1342 6.314,1343 0.069,1344 0.022,1345 6.491,1346 2.012,1347 0.38,1348 94.181,1349 0.232,1350 25.445,1351 0.728,1352 140,1353 554.546,1354 239.385,1355 566.313,1356 730.5,1357 524,1358 166,1359 471.144,1360 225.954,1361 489.793,1362 717.91,1363 458,1364 5}
{0 CHEMBL162,1 1.512,2 8.057,3 3.82,4 14.59,5 131.874,6 7.649,7 0.571,8 4.263,9 4.37,10 3.882,11 3.832,12 5.286,13 3.826,14 4.873,15 5.021,16 4.374,17 4.318,18 5.859,19 4.309,20 5.178,21 5.337,22 4.61,23 4.573,24 6.149,25 4.556,26 5.369,27 5.531,28 4.757,29 4.756,30 6.333,31 4.727,32 5.532,33 5.717,34 4.778,35 4.847,36 6.495,37 4.794,38 5.585,39 5.797,40 4.686,41 4.848,42 6.518,43 4.761,44 5.533,45 5.767,46 4.425,47 4.709,48 6.463,49 4.58,50 5.314,51 5.575,52 3.935,53 4.389,54 6.201,55 4.21,56 0.027,57 0.917,58 12.149,59 5.573,60 11.265,61 6.965,62 0.37,63 1.627,64 25.463,65 9.887,66 30.97,67 12.55,68 0.571,69 2.159,70 35.68,71 13.607,72 40.408,73 17.155,74 0.443,75 2.615,76 42.815,77 17.103,78 43.837,79 21.674,80 0.654,81 3.038,82 52.426,83 19.901,84 53.811,85 25.674,86 0.548,87 3.117,88 57.473,89 22.265,90 66.036,91 29.664,92 0.67,93 2.864,94 56.948,95 21.781,96 84.94,97 29.533,98 0.536,99 2.232,100 47.876,101 17.849,102 74.079,103 24.601,104 21,105 68,106 0.238,107 0.589,108 0.78,109 0.837,110 0.857,111 0.878,112 3.592,113 0.875,114 -3.69,115 -3.66,116 -3.48,118 45.9,119 1,120 1,123 2,124 1,126 2,127 1,129 1,138 8,139 6,148 4,153 1,167 13,170 2,171 11,173 1,175 3,178 14,181 3,182 12,184 1,186 2,188 13,192 16,195 3,197 3,199 17,203 2,204 15,206 2,208 2,211 19,214 1,215 13,220 10,223 18,227 1,228 8,231 1,233 10,235 12,240 4,243 1,245 2,247 10,251 1,252 1,255 1,256 1,260 4,264 1554,265 24.479,266 24.479,267 24.479,268 24.479,269 24.479,270 21.802,271 28.268,272 13.618,273 25.037,274 20.655,275 20.655,276 20.655,277 20.655,278 20.655,279 16.241,280 43.083,281 6.255,282 21.485,283 4.419,284 2.197,285 0.988,286 0.627,287 0.496,288 0.365,289 4.332,294 1,295 655,296 3.606,299 83.28,300 145.816,301 35.366,303 304.128,304 103.607,305 57.287,306 460.14,307 0.986,308 31.918,311 1,312 0.67,313 1,314 0.8,315 0.5,316 1,317 1,318 0.85,319 75,320 282,321 5.131,322 4.031,323 8.018,324 4.73,325 3.785,326 5.285,327 1.157,328 15.502,329 3.602,330 4.747,331 3.722,332 7.443,333 4.418,334 3.454,335 4.71,336 1.081,337 13.599,338 3.307,339 4.507,340 3.378,341 6.984,342 4.144,343 3.178,344 3.952,345 0.86,346 11.874,347 3.072,348 4.188,349 3.256,350 6.655,351 3.852,352 2.872,353 3.612,354 0.473,355 10.548,356 2.807,357 3.861,358 2.75,359 6.172,360 3.462,361 2.505,362 3.412,363 0.4,364 8.784,365 2.39,366 3.691,367 2.678,368 6.05,369 3.365,370 2.389,371 3.043,372 0.297,373 8.42,374 2.333,375 3.521,376 2.532,377 5.844,378 3.181,379 2.236,380 2.862,382 7.654,383 2.107,384 3.408,385 2.327,386 5.654,387 3.06,388 2.07,389 2.62,391 7.069,392 2.039,393 3.126,394 2.011,395 5.264,396 2.736,397 1.766,398 2.23,400 5.664,401 1.703,402 2.932,403 1.901,404 4.97,405 2.54,406 1.589,407 2.097,409 4.926,410 1.508,411 2.867,412 1.705,413 4.719,414 2.428,415 1.435,416 1.997,417 4.264,418 1.418,419 2.855,420 1.494,421 4.14,422 2.38,423 1.381,424 1.957,425 3.045,426 1.378,427 2.662,428 1.399,429 4.027,430 2.198,431 1.228,432 1.722,433 2.917,434 1.19,435 2.371,436 1.286,437 3.853,438 2.063,439 1.138,440 1.342,441 2.822,442 1.044,443 2.126,444 1.149,445 3.658,446 1.879,447 0.939,448 1.064,449 2.394,450 0.876,451 16.6,452 0.474,453 1.022,454 0.029,455 44.25,456 1.264,457 19.5,458 0.557,459 24.75,460 0.707,461 38.341,462 1.095,463 36.2,464 0.593,465 38.554,466 1.102,467 8.525,468 0.244,469 8.555,470 0.244,471 0.11,472 0.03,473 0.47,478 0.835,479 1.254,480 0.724,481 1.006,482 0.653,483 0.868,484 1.08,485 0.99,486 0.771,487 0.782,488 0.702,489 0.734,490 1.178,491 0.948,492 0.845,493 0.816,494 0.866,495 0.782,496 1.13,497 1.078,498 0.889,499 0.967,500 0.838,501 0.905,502 1.163,503 1.028,504 1.047,505 1.013,506 0.793,507 1.007,508 0.983,509 1.072,510 1.033,511 1.076,512 0.852,513 1.062,514 0.911,515 1.07,516 1.128,517 1.151,518 1.067,519 1.171,520 0.945,521 1.048,522 1.216,523 1.192,524 1.274,525 1.241,526 5.5,527 0.025,528 4.667,529 4.84,530 3.922,531 2.588,532 2.086,533 0.973,534 0.411,535 0.147,536 14300,537 32464,538 2.268,539 42.6,541 18,542 1,544 2,547 3,548 2,549 1.784,550 2.111,551 2.956,552 0.134,558 92.203,559 1.512,560 3.734,561 4.943,562 5.303,563 5.435,564 5.566,565 2.248,566 4.879,567 5.104,568 3.062,569 1821.68,570 9.056,571 24785.1,576 361.775,577 1.549,578 5.058,579 0.131,580 0.006,581 0.069,582 0.057,583 0.04,584 0.027,585 0.024,586 0.015,587 0.012,588 0.009,589 0.39,590 0.5,591 0.75,592 0.74,593 176.229,594 -0.039,595 -0.127,596 0.085,597 -0.022,598 -0.069,599 0.039,600 0.025,601 0.11,602 0.133,603 0.176,604 0.003,605 0.171,606 0.021,607 0.123,608 0.086,609 0.145,610 -0.019,611 0.13,612 -0.05,613 -0.027,614 0.031,615 0.007,616 -0.01,617 0.025,618 -0.078,619 0.018,620 -0.099,621 -0.05,622 -0.007,623 -0.072,624 -0.06,625 -0.083,626 -0.068,627 -0.089,628 0.009,629 -0.08,630 -0.002,631 -0.123,632 -0.134,633 -0.156,634 0.019,635 -0.163,636 -0.054,637 -0.137,638 -0.187,639 -0.192,640 -0.098,641 -0.208,642 2.01,643 6.322,644 0.829,645 25.211,646 1.002,647 1.118,648 2.464,649 6.07,650 0.685,651 3.761,652 4.234,653 4.727,654 5.226,655 5.652,656 6.045,657 6.441,658 6.802,659 7.081,660 7.347,661 5.059,662 0.656,663 466.58,664 3.761,665 5.398,666 6.365,667 7.357,668 8.348,669 9.353,670 10.354,671 11.364,672 12.369,673 13.381,674 6.6,676 1,681 1,682 2,689 8,690 8,695 2,696 2,697 24,704 1,716 61,718 25,719 3,720 42,722 68,723 28,724 18,725 10,726 8,727 1,728 8,729 80,732 1,735 4,738 4,740 19,741 9,744 1,749 1,753 1,760 26,761 5,762 2,763 7,769 4,775 0.125,776 3,789 2,793 3,794 4,795 1,797 6,798 2,799 1,800 7,815 1,818 2,819 1,823 3,827 35,833 2,834 2,835 2,837 3,839 1,850 4.9,853 1,854 2,858 16.583,859 12.067,860 7.347,861 3.789,863 5.329,864 1.503,865 1.089,866 3.859,867 15.919,868 4.025,869 4.787,870 5.612,871 6.453,872 7.231,873 7.931,874 8.645,875 9.319,876 9.871,877 10.431,878 0.667,879 85,880 13.078,881 6.105,882 7.545,883 25.55,884 23.506,885 2.045,886 71.583,890 282.506,891 138.499,892 39.82,894 47.145,897 138.499,898 329.651,899 39.82,900 28.105,901 22.651,902 93.821,903 51.849,904 20.461,905 20.348,906 270.735,908 282.506,909 178.319,910 47.145,913 247.193,914 60.458,915 22,917 53.285,918 125.034,921 282.506,922 86.964,923 138.499,926 282.506,927 34.584,928 107.713,929 36.022,930 47.145,931 282.506,932 86.964,933 138.499,935 0.603,936 0.395,937 0.252,938 0.152,939 43,940 18,941 0.029,942 2,943 10,944 1.586,945 4.034,946 446.328,947 0.69,948 26,949 177.525,954 20.312,955 6.65,956 2.213,957 8.778,958 83.166,959 16.886,964 1.884,965 4.7,966 36.022,967 507.97,968 55,973 13.322,977 0.004,980 61.109,981 68.189,983 0.255,984 0.63,985 0.833,986 0.894,987 0.916,988 0.938,989 5.357,990 2.07,991 6.425,992 7.654,993 4.92,994 5.476,995 2.133,996 7.461,997 4.844,998 6.635,999 1.766,1000 8.118,1001 7.069,1002 4.796,1003 5.602,1005 8.844,1006 4.675,1007 8.027,1008 1.589,1009 9.919,1010 5.664,1011 6.744,1012 7.923,1013 2.149,1014 12.085,1015 6.587,1016 9.463,1017 1.435,1018 11.786,1019 4.926,1020 7.468,1021 8.919,1023 14.301,1024 7.255,1025 10.937,1026 1.381,1027 13.695,1028 4.264,1029 8.937,1030 10.764,1031 2.286,1032 17.129,1033 8.689,1034 12.438,1035 1.228,1036 15.635,1037 3.045,1038 10.007,1039 12.137,1041 19.656,1042 9.702,1043 13.961,1044 1.138,1045 17.596,1046 2.917,1047 11.334,1048 13.829,1049 2.465,1050 22.381,1051 10.988,1052 3.785,1053 0.939,1054 19.575,1055 2.822,1056 12.541,1057 15.361,1059 25.023,1060 12.139,1061 3.454,1062 15.502,1063 21.568,1064 2.394,1065 13.834,1066 17.009,1067 2.668,1068 27.73,1069 13.386,1070 3.178,1071 13.599,1072 23.573,1073 5.285,1074 15.094,1075 18.606,1077 30.416,1078 14.592,1079 2.872,1080 11.874,1081 25.587,1082 4.71,1083 16.385,1084 20.245,1085 2.888,1086 33.125,1087 15.834,1088 2.505,1089 10.548,1090 27.61,1091 3.952,1092 17.669,1093 21.871,1095 35.831,1096 17.065,1097 2.389,1098 8.784,1099 29.639,1100 3.612,1101 18.965,1102 23.512,1103 3.12,1104 38.547,1105 18.311,1106 2.236,1107 8.42,1108 31.674,1109 3.412,1110 20.262,1111 25.151,1113 41.264,1114 19.555,1115 12834,1116 19467,1117 28.668,1118 41.762,1119 67.299,1120 68.73,1121 71.374,1122 67.01,1123 67.063,1124 87.688,1125 8.536,1126 226.373,1127 64.499,1128 6.131,1129 6.031,1130 7.696,1131 5.862,1132 5.785,1133 8.285,1134 2.315,1135 24.331,1136 5.602,1137 14.98,1138 1.602,1139 1.636,1140 1.699,1141 1.595,1142 1.597,1143 2.088,1144 0.203,1145 5.39,1146 1.536,1147 4.366,1148 4.389,1149 4.351,1150 4.286,1151 7.429,1152 4.299,1153 4.019,1154 4.046,1155 3.986,1156 3.953,1157 5.093,1158 3.957,1159 3.852,1160 3.888,1161 3.781,1162 3.692,1163 4.812,1164 3.707,1165 3.726,1166 3.764,1167 3.658,1168 3.623,1169 4.7,1170 3.624,1171 3.488,1172 3.552,1173 3.401,1174 3.305,1175 4.465,1176 3.324,1177 3.397,1178 3.461,1179 3.272,1180 3.228,1181 4.409,1182 3.23,1183 3.27,1184 3.347,1185 3.134,1186 3.066,1187 4.253,1188 3.067,1189 3.221,1190 3.293,1191 3.042,1192 2.985,1193 4.076,1194 2.985,1195 0.122,1196 0.096,1197 0.191,1198 0.113,1199 0.09,1200 5.131,1201 0.126,1202 4.031,1203 0.028,1204 8.018,1205 0.369,1206 4.73,1207 0.086,1208 3.785,1209 5.285,1210 1.157,1211 15.502,1212 3.602,1213 2.036,1214 2.028,1215 2.08,1216 2.088,1217 1.366,1218 2.075,1219 1.955,1220 1.93,1221 2.053,1222 2.068,1223 1.349,1224 2.07,1225 1.889,1226 1.856,1227 1.955,1228 2.019,1229 1.166,1230 2.003,1231 1.787,1232 1.751,1233 1.944,1234 1.937,1235 1.137,1236 1.944,1237 1.39,1238 1.33,1239 1.675,1240 1.663,1241 0.845,1242 1.656,1243 1.379,1244 1.319,1245 1.604,1246 1.634,1247 0.758,1248 1.632,1249 1.293,1250 1.223,1251 1.577,1252 1.55,1253 0.67,1254 1.553,1255 1.195,1256 1.115,1257 1.54,1258 1.493,1259 0.591,1260 1.517,1261 4.443,1263 5.878,1264 3.434,1265 7.529,1266 6.009,1267 9.284,1268 8.32,1269 11.098,1271 5.922,1277 1.286,1278 6.64,1279 13.258,1281 -0.335,1283 -0.76,1289 40.025,1290 92.203,1291 227.775,1292 301.51,1293 323.51,1294 331.51,1295 339.51,1296 51.729,1297 10.59,1298 69.45,1299 69.45,1300 46,1301 13.834,1302 4.7,1303 3.807,1304 39.627,1305 112,1306 104,1307 0.19,1308 230.101,1309 383.55,1310 553.206,1311 628354,1313 23.637,1314 0.675,1315 0.568,1316 23.637,1317 19.884,1318 17.08,1319 0.407,1320 0.292,1321 12.073,1322 16.441,1323 11.765,1324 9.596,1325 17.08,1326 12.253,1327 16.322,1328 0.24,1329 0.149,1330 16.322,1331 10.137,1332 15.926,1333 0.142,1334 0.077,1335 15.926,1336 8.596,1337 15.835,1338 0.086,1339 0.04,1340 15.835,1341 7.334,1342 14.487,1343 0.051,1344 0.02,1345 14.487,1346 5.703,1347 0.273,1348 106.923,1349 0.187,1350 29.807,1351 0.616,1352 220,1353 539.163,1354 239.789,1355 517.065,1356 750.66,1357 492,1358 290,1359 592.552,1360 312.869,1361 597.473,1362 923.77,1363 568,1364 5.329}
{0 CHEMBL1650533,1 1.653,2 11.833,3 2.638,4 6.96,5 119.867,6 7.618,7 0.606,8 4.135,9 4.272,10 3.766,11 3.619,12 5.225,13 3.594,14 4.664,15 4.867,16 4.142,17 4.012,18 5.662,19 3.973,20 4.858,21 5.071,22 4.128,23 4.151,24 5.857,25 4.07,26 5.065,27 5.308,28 4.186,29 4.263,30 5.988,31 4.151,32 5.113,33 5.385,34 4.201,35 4.259,36 6.042,37 4.125,38 4.992,39 5.26,40 4.174,41 4.19,42 5.94,43 4.026,44 4.743,45 4.967,46 3.879,47 3.97,48 5.705,49 3.795,50 4.525,51 4.799,52 3.567,53 3.665,54 5.427,55 3.549,56 0.088,57 0.93,58 12.755,59 4.498,60 13.036,61 6.371,62 0.261,63 1.442,64 23.99,65 7.285,66 27.136,67 10.71,68 0.479,69 1.651,70 29.974,71 9.389,72 35.571,73 13.272,74 0.452,75 1.843,76 39.92,77 12.303,78 48.69,79 17.701,80 0.551,81 1.863,82 42.819,83 12.796,84 59.045,85 18.701,86 0.529,87 1.7,88 41.415,89 12.395,90 58.699,91 16.605,92 0.407,93 1.405,94 41.541,95 11.42,96 34.393,97 13.536,98 0.46,99 1.061,100 23.703,101 5.79,102 33.114,103 8.809,104 33,105 48,106 0.271,107 0.654,108 0.818,109 0.854,110 0.854,111 0.854,112 3.44,113 0.964,114 -2.43,115 -2.46,116 -2.41,118 35.7,119 4,124 3,128 1,138 1,139 1,141 2,142 2,143 1,147 2,148 1,149 1,156 1,163 1,170 1,171 7,173 1,175 2,178 1,181 3,182 3,184 4,186 2,191 1,192 1,195 1,197 1,199 2,203 2,204 7,206 2,208 2,211 4,214 2,218 1,220 1,223 1,227 2,228 2,231 2,232 1,233 4,235 1,239 2,240 1,244 1,252 5,257 1,264 1436,265 20.16,266 20.16,267 20.16,268 20.16,269 20.16,270 17.833,271 24.611,272 11.517,273 20.805,274 16.147,275 16.147,276 16.147,277 16.147,278 16.147,279 12.623,280 44.115,281 5.294,282 17.191,283 4.154,284 1.811,285 0.809,286 0.59,287 0.59,288 0.59,289 4.129,293 1,294 1,295 763,296 4.123,299 226.552,300 84.496,303 127.016,307 1.789,308 22.273,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 65,320 355,321 4.678,322 3.583,323 7.287,324 4.324,325 3.369,326 4.641,327 0.916,328 12.341,329 3.215,330 4.379,331 3.275,332 6.831,333 4.178,334 3.241,335 3.764,336 0.4,337 11.349,338 3.042,339 4.137,340 2.912,341 6.107,342 3.723,343 2.782,344 3.629,345 0.172,346 8.91,347 2.62,348 4.019,349 2.713,350 5.664,351 3.579,352 2.623,353 3.349,355 7.893,356 2.495,357 3.561,358 2.383,359 5.242,360 3.103,361 2.146,362 3.006,364 6.398,365 2.051,366 3.479,367 2.268,368 5.016,369 3.059,370 2.129,371 2.849,373 5.947,374 1.972,375 3.171,376 2.002,377 4.966,378 2.794,379 1.87,380 2.354,382 5.568,383 1.715,384 2.79,385 1.757,386 4.606,387 2.472,388 1.542,389 1.91,391 4.283,392 1.427,393 2.64,394 1.365,395 4.225,396 2.274,397 1.338,398 1.652,400 3.558,401 1.247,402 2.513,403 1.123,404 3.781,405 1.989,406 1.068,407 1.518,409 2.664,410 0.981,411 2.217,412 1.034,413 3.297,414 1.726,415 0.762,416 1.091,417 1.863,418 0.728,419 2.143,420 0.818,421 3.268,422 1.634,423 0.67,424 0.979,425 1.705,426 0.644,427 2.118,428 0.697,429 3.11,430 1.547,431 0.618,432 0.927,433 1.372,434 0.572,435 1.431,436 0.618,437 3,438 1.317,439 0.421,440 0.423,441 0.554,442 0.369,443 1.333,444 0.425,445 2.937,446 1.179,447 0.251,448 0.266,449 0.41,450 0.234,451 14.367,452 0.479,453 0.851,454 0.028,455 37,456 1.233,457 16.5,458 0.55,459 20.5,460 0.683,461 30.07,462 1.002,463 33.033,464 0.59,465 26.478,466 0.883,467 7.015,468 0.234,469 7.392,470 0.246,471 0.162,472 0.035,473 0.299,478 0.95,479 1.538,480 0.769,481 1.113,482 0.977,483 1.002,484 1.021,485 1.232,486 0.707,487 0.839,488 0.826,489 0.787,490 0.994,491 0.969,492 1.06,493 1.011,494 0.786,495 1.066,496 1.024,497 1.108,498 0.927,499 1.042,500 1.165,501 1.017,502 0.886,503 0.908,504 0.796,505 0.856,506 0.982,507 0.882,508 0.994,509 0.869,510 1.066,511 0.91,512 1.034,513 0.866,514 0.909,515 1.387,516 2.185,517 2.03,518 0.859,519 1.369,520 1.297,521 0.66,522 1.111,523 0.691,524 0.931,525 0.851,526 7.5,527 0.264,528 3.778,529 2.319,530 1.574,531 1.032,532 0.723,533 0.412,534 0.23,535 0.263,536 11876,537 30784,538 2.059,539 46.4,541 7,542 2,543 2,544 3,545 3,546 9,549 1.727,550 1.905,551 3.482,552 0.966,554 1,558 92.562,559 1.653,560 3.996,561 4.999,562 5.218,563 5.218,564 5.218,565 2.927,566 4.574,567 4.88,568 3.704,569 1611.19,570 8.505,571 22563.5,573 1,576 325.212,577 1.615,578 4.82,579 0.227,580 0.009,581 0.079,582 0.05,583 0.033,584 0.023,585 0.018,586 0.013,587 0.01,588 0.009,589 0.472,590 0.33,591 1,592 1.346,593 154.698,594 -0.016,595 -0.284,596 0.085,597 -0.079,598 -0.11,599 -0.018,600 -0.022,601 -0.106,602 0.186,603 0.122,604 0.023,605 0.173,606 0.003,607 0.156,608 -0.147,609 -0.052,610 0.011,611 -0.116,612 -0.034,613 -0.137,614 0.021,615 -0.047,616 -0.057,617 -0.016,618 0.054,619 0.017,620 0.167,621 0.11,622 0.025,623 0.113,624 -0.012,625 0.11,626 0.141,627 0.214,628 -0.009,629 0.145,630 0.044,631 -0.247,632 -0.437,633 -0.495,634 0.013,635 -0.294,636 -0.206,637 0.37,638 -0.121,639 0.196,640 -0.161,641 0.056,642 1.546,643 3.675,644 0.633,645 30.449,646 1.003,647 1.14,648 1.201,649 1.442,650 0.661,651 3.526,652 3.892,653 4.174,654 4.443,655 4.575,656 4.745,657 4.898,658 5.056,659 5.094,660 5.165,661 7.084,662 0.622,663 426.61,664 3.526,665 5.094,666 5.958,667 6.86,668 7.743,669 8.647,670 9.538,671 10.443,672 11.338,673 12.245,674 14.3,677 1,682 3,684 4,689 1,690 5,691 4,692 1,694 1,695 6,697 20,709 1,716 56,718 20,720 33,722 59,723 20,724 12,728 4,729 5,732 5,740 12,741 8,742 1,757 1,760 26,761 7,762 3,763 10,764 1,766 1,767 1,769 8,775 0.75,776 1,777 1,784 1,785 1,793 3,794 1,797 1,816 1,817 1,819 3,821 1,823 4,827 30,832 1,833 3,834 1,838 1,839 1,850 1.8,851 1,858 15.75,859 11.233,860 6.569,861 3.308,863 3.781,864 1.482,865 0.956,866 5.979,867 11.619,868 3.784,869 4.428,870 5.041,871 5.681,872 6.1,873 6.587,874 7.054,875 7.527,876 7.812,877 8.136,878 0.875,879 46,880 11.046,881 4.631,882 7.642,883 21.265,884 17.351,885 2.142,886 64.25,889 1,890 270.735,891 132.659,892 104.295,894 42.683,896 31.052,897 101.607,898 313.419,899 104.295,900 35.301,901 4.211,902 70.254,903 90.468,904 66.808,905 28.627,906 254.703,908 270.735,909 205.901,910 42.683,911 31.052,913 164.795,914 105.94,915 42.683,917 104.85,918 35.841,919 65.21,920 31.052,921 270.735,922 146.978,923 132.659,926 270.735,927 51.692,928 85.378,929 34.674,930 107.893,931 270.735,932 146.978,933 132.659,935 0.589,936 0.354,937 0.187,938 0.089,939 24,940 11,941 0.136,942 8,943 1,944 1.105,945 4.074,946 271.246,947 0.105,948 19,949 145.207,950 1,954 21.066,955 8.515,956 4.329,957 0.739,958 129.028,959 9.427,960 17.831,961 2.841,963 1.392,964 5.322,966 77.357,967 550.372,968 43,980 56.171,981 63.853,983 0.285,984 0.688,985 0.861,986 0.898,987 0.898,988 0.898,989 5.043,990 1.542,991 5.989,992 5.568,993 4.575,994 5.115,995 1.038,996 6.866,997 4.453,998 6.281,999 1.338,1000 7.597,1001 4.283,1002 4.369,1003 5.027,1004 0.325,1005 8.072,1006 4.214,1007 7.619,1008 1.068,1009 9.315,1010 3.558,1011 6.279,1012 7.375,1013 0.697,1014 11.116,1015 6.046,1016 8.995,1017 0.762,1018 11.1,1019 2.664,1020 6.899,1021 8.138,1022 0.393,1023 13.136,1024 6.63,1025 10.403,1026 0.67,1027 12.929,1028 1.863,1029 8.311,1030 9.95,1031 0.537,1032 15.773,1033 7.976,1034 11.833,1035 0.618,1036 14.79,1037 1.705,1038 9.267,1039 11.107,1040 0.384,1041 18.088,1042 8.89,1043 13.279,1044 0.421,1045 16.674,1046 1.372,1047 10.521,1048 12.722,1049 0.438,1050 20.614,1051 10.085,1052 3.369,1053 0.251,1054 18.575,1055 0.554,1056 11.614,1057 14.07,1058 0.351,1059 23.037,1060 11.131,1061 3.241,1062 12.341,1063 20.49,1064 0.41,1065 12.819,1066 15.615,1067 0.366,1068 25.534,1069 12.282,1070 2.782,1071 11.349,1072 22.415,1073 4.641,1074 13.969,1075 17.057,1076 0.312,1077 27.997,1078 13.383,1079 2.623,1080 8.91,1081 24.349,1082 3.764,1083 15.161,1084 18.581,1085 0.309,1086 30.488,1087 14.523,1088 2.146,1089 7.893,1090 26.291,1091 3.629,1092 16.335,1093 20.067,1094 0.273,1095 32.969,1096 15.648,1097 2.129,1098 6.398,1099 28.237,1100 3.349,1101 17.527,1102 21.589,1103 0.262,1104 35.461,1105 16.789,1106 1.87,1107 5.947,1108 30.189,1109 3.006,1110 18.713,1111 23.097,1112 0.236,1113 37.95,1114 17.926,1115 11452,1116 18658,1117 21.671,1118 37,1119 50.129,1120 50.11,1121 51.401,1122 49.612,1123 49.656,1124 64.717,1125 2.978,1126 149.63,1127 46.623,1128 5.545,1129 5.583,1130 6.883,1131 5.419,1132 5.369,1133 7.641,1134 1.605,1135 19.758,1136 5.137,1137 16.34,1138 1.519,1139 1.518,1140 1.558,1141 1.503,1142 1.505,1143 1.961,1144 0.09,1145 4.534,1146 1.413,1147 4.148,1148 4.201,1149 4.229,1150 3.981,1151 6.456,1152 4.008,1153 3.901,1154 3.948,1155 4.092,1156 3.819,1157 5.138,1158 3.783,1159 3.812,1160 3.883,1161 3.757,1162 3.623,1163 4.965,1164 3.64,1165 3.716,1166 3.758,1167 3.689,1168 3.586,1169 4.803,1170 3.579,1171 3.412,1172 3.498,1173 3.301,1174 3.232,1175 4.468,1176 3.224,1177 3.396,1178 3.469,1179 3.218,1180 3.214,1181 4.31,1182 3.208,1183 3.129,1184 3.216,1185 3.011,1186 2.927,1187 4.014,1188 2.931,1189 2.987,1190 3.065,1191 2.918,1192 2.738,1193 3.958,1194 2.7,1195 0.142,1196 0.109,1197 0.221,1198 0.131,1199 0.102,1200 4.678,1201 0.141,1202 3.583,1203 0.028,1204 7.287,1205 0.374,1206 4.324,1207 0.097,1208 3.369,1209 4.641,1210 0.916,1211 12.341,1212 3.215,1213 1.882,1214 1.836,1215 1.995,1216 2.073,1217 1.264,1218 2.04,1219 1.789,1220 1.73,1221 1.951,1222 1.985,1223 1.076,1224 1.991,1225 1.598,1226 1.564,1227 1.781,1228 1.739,1229 0.964,1230 1.733,1231 1.512,1232 1.465,1233 1.698,1234 1.691,1235 0.845,1236 1.715,1237 1.416,1238 1.341,1239 1.658,1240 1.644,1241 0.793,1242 1.632,1243 1.289,1244 1.232,1245 1.509,1246 1.599,1247 0.614,1248 1.586,1249 1.248,1250 1.142,1251 1.431,1252 1.488,1253 0.469,1254 1.514,1255 1.158,1256 1.115,1257 1.417,1258 1.342,1259 0.462,1260 1.363,1261 4.205,1263 5.557,1264 3.434,1265 7.086,1266 5.687,1267 8.699,1268 7.695,1269 10.359,1271 8.112,1276 9.675,1277 1.603,1278 3.381,1282 2.209,1283 -0.296,1289 34.814,1290 92.562,1291 223.789,1292 279.928,1293 292.192,1294 292.192,1295 292.192,1296 46.812,1297 7.838,1298 107.26,1299 135.5,1300 21,1301 12.764,1302 4.392,1303 3.459,1304 47.152,1305 129,1306 116,1307 0.18,1308 219.106,1309 355.7,1310 526.379,1311 28086,1313 21.303,1314 0.71,1315 0.612,1316 21.656,1317 18.363,1318 14.407,1319 0.437,1320 0.321,1321 9.732,1322 13.273,1323 9.285,1324 7.782,1325 14.861,1326 10.607,1327 13.414,1328 0.279,1329 0.18,1330 13.991,1331 8.652,1332 11.337,1333 0.177,1334 0.093,1335 11.995,1336 5.927,1337 9.324,1338 0.111,1339 0.048,1340 10.02,1341 4.066,1342 6.619,1343 0.069,1344 0.024,1345 7.172,1346 2.312,1347 0.285,1348 95.507,1349 0.215,1350 28.337,1351 0.489,1352 162,1353 449.546,1354 202.209,1355 460.236,1356 642.01,1357 432,1358 193,1359 475.581,1360 231.881,1361 500.006,1362 726.76,1363 467,1364 7}
{0 CHEMBL1650545,1 1.807,2 11.793,3 2.812,4 7.908,5 106.921,6 8.862,7 0.606,8 4.012,9 4.138,10 3.769,11 3.516,12 5.15,13 3.525,14 4.568,15 4.745,16 4.197,17 3.924,18 5.865,19 3.928,20 4.752,21 4.963,22 4.064,23 3.969,24 5.939,25 3.918,26 4.739,27 4.979,28 4.068,29 3.956,30 5.772,31 3.895,32 4.652,33 4.862,34 4.106,35 3.947,36 5.8,37 3.891,38 4.621,39 4.833,40 4.089,41 3.945,42 5.78,43 3.834,44 4.49,45 4.69,46 3.913,47 3.721,48 5.673,49 3.645,50 4.397,51 4.672,52 3.537,53 3.531,54 5.39,55 3.431,56 0.167,57 0.971,58 7.842,59 3.744,60 15.588,61 4.386,62 0.58,63 1.688,64 17.247,65 6.407,66 66.869,67 7.6,68 0.869,69 1.711,70 25.097,71 8.634,72 77.17,73 9.554,74 0.646,75 1.537,76 28.8,77 8.703,78 57.616,79 11.146,80 0.626,81 1.524,82 22.024,83 7.305,84 53.894,85 8.565,86 0.546,87 1.488,88 26.275,89 9.014,90 44.633,91 10.32,92 0.518,93 1.363,94 26.994,95 8.046,96 35.095,97 8.164,98 0.576,99 0.965,100 19.598,101 5.436,102 42.06,103 7.601,104 10,105 49,106 0.305,107 0.708,108 0.855,109 0.884,110 0.884,111 0.884,112 3.408,113 0.901,114 -2.94,115 -2.95,116 -2.85,118 38.3,119 1,120 1,124 3,129 1,138 1,139 1,141 2,142 2,143 1,147 2,148 1,149 1,156 1,163 1,170 1,171 5,173 1,175 2,181 3,182 3,184 3,191 1,192 1,195 1,197 1,203 2,204 5,206 2,208 1,211 2,214 2,223 1,227 2,228 2,231 2,232 1,233 2,235 1,239 2,240 1,252 3,257 1,264 1352,265 19.497,266 19.497,267 19.497,268 19.497,269 19.497,270 17.17,271 23.302,272 11.239,273 20.233,274 16.358,275 16.358,276 16.358,277 16.358,278 16.358,279 12.834,280 38.571,281 5.42,282 17.636,283 3.747,284 1.355,285 0.484,286 0.314,287 0.314,288 0.314,289 4.113,293 1,294 1,295 766,296 3.082,299 289.757,300 78.004,303 117.558,307 1.815,308 34.666,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 65,320 342,321 4.677,322 4.015,323 6.831,324 4.179,325 3.255,326 4.641,327 1.51,328 11.349,329 3.042,330 4.264,331 3.276,332 6.76,333 4.139,334 3.24,335 3.76,336 0.916,337 11.107,338 2.861,339 4.145,340 3.002,341 6.107,342 3.733,343 2.796,344 3.627,345 0.4,346 8.912,347 2.622,348 4.027,349 2.779,350 5.697,351 3.598,352 2.641,353 3.249,354 0.172,355 8.008,356 2.508,357 3.562,358 2.559,359 5.309,360 3.159,361 2.256,362 3.007,364 6.769,365 2.058,366 3.494,367 2.319,368 5.111,369 3.095,370 2.143,371 2.852,373 6.014,374 2.011,375 3.287,376 2.164,377 5.016,378 2.935,379 2.008,380 2.438,382 5.94,383 1.845,384 2.935,385 1.859,386 4.696,387 2.59,388 1.677,389 2.002,391 4.994,392 1.517,393 2.777,394 1.366,395 4.225,396 2.278,397 1.341,398 1.89,400 3.567,401 1.251,402 2.517,403 1.124,404 3.781,405 1.99,406 1.069,407 1.525,409 2.67,410 0.982,411 2.221,412 0.902,413 3.726,414 1.758,415 0.79,416 1.095,417 1.928,418 0.76,419 2.143,420 0.786,421 3.294,422 1.688,423 0.723,424 0.979,425 1.833,426 0.692,427 2.118,428 0.695,429 3.267,430 1.633,431 0.669,432 0.927,433 1.698,434 0.644,435 1.763,436 0.618,437 3,438 1.547,439 0.618,440 0.757,441 1.372,442 0.572,443 1.264,444 0.51,445 2.989,446 0.905,447 -0.033,448 -0.039,449 -0.097,450 -0.03,451 13.605,452 0.469,453 0.878,454 0.03,455 37.25,456 1.284,457 16.5,458 0.569,459 20.75,460 0.716,461 24.987,462 0.862,463 31.395,464 0.668,465 26.85,466 0.926,467 7.203,468 0.248,469 6.763,470 0.233,471 0.079,472 0.037,473 0.316,475 2,478 0.662,479 1.234,480 0.635,481 1.037,482 0.563,483 0.901,484 0.784,485 1.081,486 0.683,487 0.872,488 0.59,489 0.815,490 1.254,491 0.965,492 1.184,493 1.001,494 1.395,495 1.117,496 0.825,497 0.925,498 0.888,499 0.924,500 0.737,501 0.862,502 0.999,503 0.896,504 1.018,505 0.9,506 0.906,507 0.966,508 0.618,509 0.893,510 1.265,511 1.233,512 0.482,513 1.069,514 0.936,515 1.22,516 1.635,517 1.696,518 0.934,519 1.309,520 0.63,521 0.455,522 0.852,523 0.608,524 0.444,525 0.829,526 7.5,527 0.167,528 2.889,529 2.486,530 1.174,531 1.074,532 0.542,533 0.463,534 0.156,535 0.208,536 12003,537 38223,538 2.162,539 38.3,541 7,542 2,543 2,544 2,545 3,548 2,549 1.717,550 2.035,551 3.504,552 0.364,553 1,554 1,558 84.948,559 1.807,560 4.2,561 5.07,562 5.241,563 5.241,564 5.241,565 2.957,566 4.444,567 4.829,568 3.709,569 1505.85,570 8.397,571 20529.5,573 1,575 1,576 261.066,577 1.503,578 4.79,579 0.227,580 0.007,581 0.059,582 0.061,583 0.028,584 0.026,585 0.014,586 0.015,587 0.007,588 0.008,589 0.452,590 0.33,591 0.88,592 0.506,593 148.124,594 -0.042,595 -0.224,596 0.073,597 -0.09,598 -0.065,599 -0.016,600 0.074,601 -0.063,602 0.12,603 0.042,604 0.195,605 0.082,606 -0.112,607 0.142,608 -0.263,609 -0.047,610 -0.193,611 -0.193,612 -0.042,613 -0.072,614 0.113,615 0.071,616 -0.034,617 0.163,618 -0.155,619 0.061,620 -0.064,621 0.078,622 -0.142,623 -0.03,624 0.074,625 -0.002,626 -0.009,627 -0.01,628 0.108,629 -0.026,630 -0.03,631 -0.202,632 -0.282,633 -0.424,634 -0.08,635 -0.306,636 0.051,637 0.255,638 0.078,639 0.252,640 0.043,641 0.167,642 3.846,643 5.385,644 0.828,645 29.512,646 1.026,647 1.151,648 1.712,649 2.932,650 0.684,651 3.526,652 3.912,653 4.174,654 4.511,655 4.635,656 4.796,657 4.956,658 5.112,659 5.198,660 5.247,661 7.029,662 0.666,663 416.51,664 3.526,665 5.106,666 5.969,667 6.88,668 7.759,669 8.672,670 9.559,671 10.471,672 11.363,673 12.275,674 17,677 1,682 3,684 4,689 1,690 5,691 4,692 1,694 1,695 6,697 20,709 1,716 47,718 20,720 33,722 51,723 18,724 12,728 5,729 6,732 1,735 2,738 2,740 12,741 6,743 2,757 1,758 2,760 18,761 8,762 2,763 11,764 1,766 1,767 1,769 8,775 0.8,784 1,785 1,790 1,793 4,794 1,797 1,816 1,819 4,821 1,823 1,825 2,827 29,833 4,834 1,838 1,839 1,849 2,858 14.25,859 8.819,860 6.028,861 2.705,863 3.815,864 1.471,865 1.052,866 4.655,867 11.909,868 3.784,869 4.44,870 5.041,871 5.701,872 6.109,873 6.592,874 7.06,875 7.534,876 7.837,877 8.149,878 0.875,879 41,880 10.822,881 4.888,882 7.905,883 20.259,884 17.15,885 2.405,886 69.75,889 1,890 188.338,891 112.647,892 104.295,895 29.92,896 31.052,897 81.595,898 188.338,899 134.215,900 8.825,901 8.852,902 27.571,903 90.468,904 98.552,905 28.627,906 172.305,908 188.338,909 185.89,910 29.92,911 31.052,913 188.338,914 29.92,916 1.824,917 83.015,918 35.841,919 65.21,920 31.052,921 218.258,922 104.295,923 112.647,926 190.162,927 56.332,928 58.902,929 34.674,930 95.13,931 188.338,932 134.215,933 112.647,935 0.598,936 0.336,937 0.19,938 0.095,939 27,940 11,941 0.098,942 5,943 1,944 1.083,945 4.146,946 265.918,947 0.083,948 24,949 138.881,950 1,954 18.737,955 7.205,956 3.801,957 0.681,958 116.265,959 9.12,960 17.475,961 2.809,963 1.279,964 4.827,966 34.674,967 435.2,968 43,980 48.218,981 54.077,983 0.325,984 0.756,985 0.913,986 0.943,987 0.943,988 0.943,989 5.056,990 1.677,991 5.999,992 5.94,993 4.595,994 5.127,995 1.999,996 6.86,997 4.446,998 6.292,999 1.341,1000 7.586,1001 4.994,1002 4.369,1003 5.027,1004 0.325,1005 7.972,1006 4.09,1007 7.626,1008 1.069,1009 9.275,1010 3.567,1011 6.282,1012 7.376,1013 2.518,1014 11.002,1015 5.972,1016 8.994,1017 0.79,1018 11.024,1019 2.67,1020 6.858,1021 8.127,1022 0.393,1023 12.913,1024 6.419,1025 10.393,1026 0.723,1027 12.812,1028 1.928,1029 8.273,1030 9.943,1031 3.236,1032 15.511,1033 7.786,1034 11.814,1035 0.669,1036 14.628,1037 1.833,1038 9.185,1039 11.094,1040 0.384,1041 17.727,1042 8.58,1043 13.251,1044 0.618,1045 16.463,1046 1.698,1047 10.43,1048 12.712,1049 4.018,1050 20.198,1051 9.759,1052 3.255,1053 -0.033,1054 18.312,1055 1.372,1056 11.486,1057 14.06,1058 0.351,1059 22.532,1060 10.709,1061 3.24,1062 11.349,1063 20.174,1064 -0.097,1065 12.674,1066 15.607,1067 4.826,1068 24.964,1069 11.819,1070 2.796,1071 11.107,1072 22.045,1073 4.641,1074 13.793,1075 17.049,1076 0.312,1077 27.346,1078 12.839,1079 2.641,1080 8.912,1081 23.923,1082 3.76,1083 14.964,1084 18.575,1085 5.643,1086 29.767,1087 13.927,1088 2.256,1089 8.008,1090 25.808,1091 3.627,1092 16.111,1093 20.062,1094 0.273,1095 32.169,1096 14.981,1097 2.143,1098 6.769,1099 27.697,1100 3.249,1101 17.278,1102 21.585,1103 6.465,1104 34.587,1105 16.063,1106 2.008,1107 6.014,1108 29.591,1109 3.007,1110 18.438,1111 23.094,1112 0.236,1113 36.999,1114 17.134,1115 11041,1116 19866,1117 22.364,1118 32.137,1119 51.378,1120 50.233,1121 50.53,1122 50.679,1123 50.454,1124 65.501,1125 5.998,1126 152.322,1127 46.727,1128 5.607,1129 6.015,1130 6.427,1131 5.276,1132 5.255,1133 7.641,1134 3.02,1135 18.766,1136 4.965,1137 12.483,1138 1.557,1139 1.522,1140 1.531,1141 1.536,1142 1.529,1143 1.985,1144 0.182,1145 4.616,1146 1.416,1147 4.148,1148 4.2,1149 4.229,1150 3.98,1151 8.358,1152 4.008,1153 3.923,1154 3.975,1155 4.093,1156 3.821,1157 7.999,1158 3.79,1159 3.819,1160 3.887,1161 3.781,1162 3.637,1163 5.138,1164 3.649,1165 3.74,1166 3.779,1167 3.752,1168 3.592,1169 4.965,1170 3.599,1171 3.396,1172 3.47,1173 3.301,1174 3.215,1175 4.802,1176 3.224,1177 3.166,1178 3.246,1179 3.116,1180 2.958,1181 4.467,1182 2.963,1183 2.957,1184 3.033,1185 2.973,1186 2.762,1187 4.179,1188 2.748,1189 2.892,1190 2.991,1191 2.723,1192 2.668,1193 3.999,1194 2.652,1195 0.142,1196 0.122,1197 0.207,1198 0.127,1199 0.099,1200 4.677,1201 0.141,1202 4.015,1203 0.046,1204 6.831,1205 0.344,1206 4.179,1207 0.092,1208 3.255,1209 4.641,1210 1.51,1211 11.349,1212 3.042,1213 1.882,1214 1.836,1215 1.952,1216 2.073,1217 1.126,1218 2.04,1219 1.64,1220 1.59,1221 1.82,1222 1.838,1223 1.077,1224 1.835,1225 1.586,1226 1.544,1227 1.744,1228 1.759,1229 1.047,1230 1.75,1231 1.535,1232 1.481,1233 1.695,1234 1.734,1235 0.8,1236 1.722,1237 1.377,1238 1.332,1239 1.556,1240 1.643,1241 0.741,1242 1.595,1243 1.253,1244 1.171,1245 1.467,1246 1.545,1247 0.593,1248 1.562,1249 1.232,1250 1.138,1251 1.43,1252 1.45,1253 0.44,1254 1.463,1255 1.116,1256 1.078,1257 1.26,1258 1.3,1259 0.312,1260 1.324,1261 4.205,1263 5.572,1264 3.714,1265 7.096,1266 6.009,1267 8.698,1268 8.032,1269 10.348,1271 1.912,1273 26.77,1277 0.501,1278 3.279,1282 1.73,1283 -2.596,1289 31.286,1290 84.948,1291 197.402,1292 238.311,1293 246.311,1294 246.311,1295 246.311,1296 47.164,1297 8.094,1298 87.03,1299 115.27,1300 26,1301 12.793,1302 4.392,1303 3.459,1304 39.767,1305 122,1306 115,1307 0.158,1308 190.928,1309 312.09,1310 457.625,1311 40160,1312 4.3,1313 20.01,1314 0.69,1315 0.565,1316 18.571,1317 16.379,1318 13.966,1319 0.423,1320 0.3,1321 9.001,1322 12.718,1323 8.771,1324 7.178,1325 13.713,1326 9.908,1327 13.74,1328 0.28,1329 0.163,1330 12.694,1331 7.984,1332 10.947,1333 0.171,1334 0.087,1335 11.009,1336 5.584,1337 9.848,1338 0.109,1339 0.047,1340 10.008,1341 4.187,1342 7.075,1343 0.069,1344 0.024,1345 7.019,1346 2.481,1347 0.25,1348 93.713,1349 0.211,1350 27.678,1351 0.425,1352 164,1353 591.619,1354 212.77,1355 541.959,1356 733.77,1357 506,1358 195,1359 530.029,1360 239.509,1361 538.328,1362 792.67,1363 505,1364 6.114}
{0 CHEMBL1650551,1 1.807,2 11.793,3 2.812,4 7.908,5 106.921,6 8.862,7 0.606,8 4.012,9 4.138,10 3.769,11 3.516,12 5.15,13 3.525,14 4.568,15 4.745,16 4.197,17 3.924,18 5.865,19 3.928,20 4.752,21 4.963,22 4.064,23 3.969,24 5.939,25 3.918,26 4.739,27 4.979,28 4.068,29 3.956,30 5.772,31 3.895,32 4.652,33 4.862,34 4.106,35 3.947,36 5.8,37 3.891,38 4.621,39 4.833,40 4.089,41 3.945,42 5.78,43 3.834,44 4.49,45 4.69,46 3.913,47 3.721,48 5.673,49 3.645,50 4.397,51 4.672,52 3.537,53 3.531,54 5.39,55 3.431,56 0.167,57 0.971,58 7.842,59 3.744,60 15.588,61 4.386,62 0.58,63 1.688,64 17.247,65 6.407,66 66.869,67 7.6,68 0.869,69 1.711,70 25.097,71 8.634,72 77.17,73 9.554,74 0.646,75 1.537,76 28.8,77 8.703,78 57.616,79 11.146,80 0.626,81 1.524,82 22.024,83 7.305,84 53.894,85 8.565,86 0.546,87 1.488,88 26.275,89 9.014,90 44.633,91 10.32,92 0.518,93 1.363,94 26.994,95 8.046,96 35.095,97 8.164,98 0.576,99 0.965,100 19.598,101 5.436,102 42.06,103 7.601,104 10,105 49,106 0.305,107 0.708,108 0.855,109 0.884,110 0.884,111 0.884,112 3.408,113 0.901,114 -2.94,115 -2.95,116 -2.85,118 38.3,119 1,120 1,124 3,129 1,138 1,139 1,141 2,142 2,143 1,147 2,148 1,149 1,156 1,163 1,170 1,171 5,173 1,175 2,181 3,182 3,184 3,191 1,192 1,195 1,197 1,203 2,204 5,206 2,208 1,211 2,214 2,223 1,227 2,228 2,231 2,232 1,233 2,235 1,239 2,240 1,252 3,257 1,264 1352,265 19.497,266 19.497,267 19.497,268 19.497,269 19.497,270 17.17,271 23.302,272 11.239,273 20.233,274 16.358,275 16.358,276 16.358,277 16.358,278 16.358,279 12.834,280 38.571,281 5.42,282 17.636,283 3.747,284 1.355,285 0.484,286 0.314,287 0.314,288 0.314,289 4.113,293 1,294 1,295 766,296 3.082,299 289.757,300 78.004,303 117.558,307 1.815,308 34.666,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 65,320 342,321 4.677,322 4.015,323 6.831,324 4.179,325 3.255,326 4.641,327 1.51,328 11.349,329 3.042,330 4.264,331 3.276,332 6.76,333 4.139,334 3.24,335 3.76,336 0.916,337 11.107,338 2.861,339 4.145,340 3.002,341 6.107,342 3.733,343 2.796,344 3.627,345 0.4,346 8.912,347 2.622,348 4.027,349 2.779,350 5.697,351 3.598,352 2.641,353 3.249,354 0.172,355 8.008,356 2.508,357 3.562,358 2.559,359 5.309,360 3.159,361 2.256,362 3.007,364 6.769,365 2.058,366 3.494,367 2.319,368 5.111,369 3.095,370 2.143,371 2.852,373 6.014,374 2.011,375 3.287,376 2.164,377 5.016,378 2.935,379 2.008,380 2.438,382 5.94,383 1.845,384 2.935,385 1.859,386 4.696,387 2.59,388 1.677,389 2.002,391 4.994,392 1.517,393 2.777,394 1.366,395 4.225,396 2.278,397 1.341,398 1.89,400 3.567,401 1.251,402 2.517,403 1.124,404 3.781,405 1.99,406 1.069,407 1.525,409 2.67,410 0.982,411 2.221,412 0.902,413 3.726,414 1.758,415 0.79,416 1.095,417 1.928,418 0.76,419 2.143,420 0.786,421 3.294,422 1.688,423 0.723,424 0.979,425 1.833,426 0.692,427 2.118,428 0.695,429 3.267,430 1.633,431 0.669,432 0.927,433 1.698,434 0.644,435 1.763,436 0.618,437 3,438 1.547,439 0.618,440 0.757,441 1.372,442 0.572,443 1.264,444 0.51,445 2.989,446 0.905,447 -0.033,448 -0.039,449 -0.097,450 -0.03,451 13.605,452 0.469,453 0.878,454 0.03,455 37.25,456 1.284,457 16.5,458 0.569,459 20.75,460 0.716,461 24.987,462 0.862,463 31.395,464 0.668,465 26.85,466 0.926,467 7.203,468 0.248,469 6.763,470 0.233,471 0.079,472 0.037,473 0.316,475 2,478 0.662,479 1.234,480 0.635,481 1.037,482 0.563,483 0.901,484 0.784,485 1.081,486 0.683,487 0.872,488 0.59,489 0.815,490 1.254,491 0.965,492 1.184,493 1.001,494 1.395,495 1.117,496 0.825,497 0.925,498 0.888,499 0.924,500 0.737,501 0.862,502 0.999,503 0.896,504 1.018,505 0.9,506 0.906,507 0.966,508 0.618,509 0.893,510 1.265,511 1.233,512 0.482,513 1.069,514 0.936,515 1.22,516 1.635,517 1.696,518 0.934,519 1.309,520 0.63,521 0.455,522 0.852,523 0.608,524 0.444,525 0.829,526 7.5,527 0.167,528 2.889,529 2.486,530 1.174,531 1.074,532 0.542,533 0.463,534 0.156,535 0.208,536 12003,537 38223,538 2.162,539 38.3,541 7,542 2,543 2,544 2,545 3,548 2,549 1.717,550 2.035,551 3.504,552 0.364,553 1,554 1,558 84.948,559 1.807,560 4.2,561 5.07,562 5.241,563 5.241,564 5.241,565 2.957,566 4.444,567 4.829,568 3.709,569 1505.85,570 8.397,571 20529.5,573 1,575 1,576 261.066,577 1.503,578 4.79,579 0.227,580 0.007,581 0.059,582 0.061,583 0.028,584 0.026,585 0.014,586 0.015,587 0.007,588 0.008,589 0.452,590 0.33,591 0.88,592 0.506,593 148.124,594 -0.042,595 -0.224,596 0.073,597 -0.09,598 -0.065,599 -0.016,600 0.074,601 -0.063,602 0.12,603 0.042,604 0.195,605 0.082,606 -0.112,607 0.142,608 -0.263,609 -0.047,610 -0.193,611 -0.193,612 -0.042,613 -0.072,614 0.113,615 0.071,616 -0.034,617 0.163,618 -0.155,619 0.061,620 -0.064,621 0.078,622 -0.142,623 -0.03,624 0.074,625 -0.002,626 -0.009,627 -0.01,628 0.108,629 -0.026,630 -0.03,631 -0.202,632 -0.282,633 -0.424,634 -0.08,635 -0.306,636 0.051,637 0.255,638 0.078,639 0.252,640 0.043,641 0.167,642 3.846,643 5.385,644 0.828,645 29.512,646 1.026,647 1.151,648 1.712,649 2.932,650 0.684,651 3.526,652 3.912,653 4.174,654 4.511,655 4.635,656 4.796,657 4.956,658 5.112,659 5.198,660 5.247,661 7.029,662 0.666,663 416.51,664 3.526,665 5.106,666 5.969,667 6.88,668 7.759,669 8.672,670 9.559,671 10.471,672 11.363,673 12.275,674 17,677 1,682 3,684 4,689 1,690 5,691 4,692 1,694 1,695 6,697 20,709 1,716 47,718 20,720 33,722 51,723 18,724 12,728 5,729 6,732 1,735 2,738 2,740 12,741 6,743 2,757 1,758 2,760 18,761 8,762 2,763 11,764 1,766 1,767 1,769 8,775 0.8,784 1,785 1,790 1,793 4,794 1,797 1,816 1,819 4,821 1,823 1,825 2,827 29,833 4,834 1,838 1,839 1,849 2,858 14.25,859 8.819,860 6.028,861 2.705,863 3.815,864 1.471,865 1.052,866 4.655,867 11.909,868 3.784,869 4.44,870 5.041,871 5.701,872 6.109,873 6.592,874 7.06,875 7.534,876 7.837,877 8.149,878 0.875,879 41,880 10.822,881 4.888,882 7.905,883 20.259,884 17.15,885 2.405,886 69.75,889 1,890 188.338,891 112.647,892 104.295,895 29.92,896 31.052,897 81.595,898 188.338,899 134.215,900 8.825,901 8.852,902 27.571,903 90.468,904 98.552,905 28.627,906 172.305,908 188.338,909 185.89,910 29.92,911 31.052,913 188.338,914 29.92,916 1.824,917 83.015,918 35.841,919 65.21,920 31.052,921 218.258,922 104.295,923 112.647,926 190.162,927 56.332,928 58.902,929 34.674,930 95.13,931 188.338,932 134.215,933 112.647,935 0.598,936 0.336,937 0.19,938 0.095,939 27,940 11,941 0.098,942 5,943 1,944 1.083,945 4.146,946 265.918,947 0.083,948 24,949 138.881,950 1,954 18.737,955 7.205,956 3.801,957 0.681,958 116.265,959 9.12,960 17.475,961 2.809,963 1.279,964 4.827,966 34.674,967 435.2,968 43,980 48.218,981 54.077,983 0.325,984 0.756,985 0.913,986 0.943,987 0.943,988 0.943,989 5.056,990 1.677,991 5.999,992 5.94,993 4.595,994 5.127,995 1.999,996 6.86,997 4.446,998 6.292,999 1.341,1000 7.586,1001 4.994,1002 4.369,1003 5.027,1004 0.325,1005 7.972,1006 4.09,1007 7.626,1008 1.069,1009 9.275,1010 3.567,1011 6.282,1012 7.376,1013 2.518,1014 11.002,1015 5.972,1016 8.994,1017 0.79,1018 11.024,1019 2.67,1020 6.858,1021 8.127,1022 0.393,1023 12.913,1024 6.419,1025 10.393,1026 0.723,1027 12.812,1028 1.928,1029 8.273,1030 9.943,1031 3.236,1032 15.511,1033 7.786,1034 11.814,1035 0.669,1036 14.628,1037 1.833,1038 9.185,1039 11.094,1040 0.384,1041 17.727,1042 8.58,1043 13.251,1044 0.618,1045 16.463,1046 1.698,1047 10.43,1048 12.712,1049 4.018,1050 20.198,1051 9.759,1052 3.255,1053 -0.033,1054 18.312,1055 1.372,1056 11.486,1057 14.06,1058 0.351,1059 22.532,1060 10.709,1061 3.24,1062 11.349,1063 20.174,1064 -0.097,1065 12.674,1066 15.607,1067 4.826,1068 24.964,1069 11.819,1070 2.796,1071 11.107,1072 22.045,1073 4.641,1074 13.793,1075 17.049,1076 0.312,1077 27.346,1078 12.839,1079 2.641,1080 8.912,1081 23.923,1082 3.76,1083 14.964,1084 18.575,1085 5.643,1086 29.767,1087 13.927,1088 2.256,1089 8.008,1090 25.808,1091 3.627,1092 16.111,1093 20.062,1094 0.273,1095 32.169,1096 14.981,1097 2.143,1098 6.769,1099 27.697,1100 3.249,1101 17.278,1102 21.585,1103 6.465,1104 34.587,1105 16.063,1106 2.008,1107 6.014,1108 29.591,1109 3.007,1110 18.438,1111 23.094,1112 0.236,1113 36.999,1114 17.134,1115 11041,1116 19866,1117 22.364,1118 32.137,1119 51.378,1120 50.233,1121 50.53,1122 50.679,1123 50.454,1124 65.501,1125 5.998,1126 152.322,1127 46.727,1128 5.607,1129 6.015,1130 6.427,1131 5.276,1132 5.255,1133 7.641,1134 3.02,1135 18.766,1136 4.965,1137 12.483,1138 1.557,1139 1.522,1140 1.531,1141 1.536,1142 1.529,1143 1.985,1144 0.182,1145 4.616,1146 1.416,1147 4.148,1148 4.2,1149 4.229,1150 3.98,1151 8.358,1152 4.008,1153 3.923,1154 3.975,1155 4.093,1156 3.821,1157 7.999,1158 3.79,1159 3.819,1160 3.887,1161 3.781,1162 3.637,1163 5.138,1164 3.649,1165 3.74,1166 3.779,1167 3.752,1168 3.592,1169 4.965,1170 3.599,1171 3.396,1172 3.47,1173 3.301,1174 3.215,1175 4.802,1176 3.224,1177 3.166,1178 3.246,1179 3.116,1180 2.958,1181 4.467,1182 2.963,1183 2.957,1184 3.033,1185 2.973,1186 2.762,1187 4.179,1188 2.748,1189 2.892,1190 2.991,1191 2.723,1192 2.668,1193 3.999,1194 2.652,1195 0.142,1196 0.122,1197 0.207,1198 0.127,1199 0.099,1200 4.677,1201 0.141,1202 4.015,1203 0.046,1204 6.831,1205 0.344,1206 4.179,1207 0.092,1208 3.255,1209 4.641,1210 1.51,1211 11.349,1212 3.042,1213 1.882,1214 1.836,1215 1.952,1216 2.073,1217 1.126,1218 2.04,1219 1.64,1220 1.59,1221 1.82,1222 1.838,1223 1.077,1224 1.835,1225 1.586,1226 1.544,1227 1.744,1228 1.759,1229 1.047,1230 1.75,1231 1.535,1232 1.481,1233 1.695,1234 1.734,1235 0.8,1236 1.722,1237 1.377,1238 1.332,1239 1.556,1240 1.643,1241 0.741,1242 1.595,1243 1.253,1244 1.171,1245 1.467,1246 1.545,1247 0.593,1248 1.562,1249 1.232,1250 1.138,1251 1.43,1252 1.45,1253 0.44,1254 1.463,1255 1.116,1256 1.078,1257 1.26,1258 1.3,1259 0.312,1260 1.324,1261 4.205,1263 5.572,1264 3.714,1265 7.096,1266 6.009,1267 8.698,1268 8.032,1269 10.348,1271 1.912,1273 26.77,1277 0.501,1278 3.279,1282 1.73,1283 -2.596,1289 31.286,1290 84.948,1291 197.402,1292 238.311,1293 246.311,1294 246.311,1295 246.311,1296 47.164,1297 8.094,1298 87.03,1299 115.27,1300 26,1301 12.793,1302 4.392,1303 3.459,1304 39.767,1305 122,1306 115,1307 0.158,1308 190.928,1309 312.09,1310 457.625,1311 40160,1312 4.3,1313 20.01,1314 0.69,1315 0.565,1316 18.571,1317 16.379,1318 13.966,1319 0.423,1320 0.3,1321 9.001,1322 12.718,1323 8.771,1324 7.178,1325 13.713,1326 9.908,1327 13.74,1328 0.28,1329 0.163,1330 12.694,1331 7.984,1332 10.947,1333 0.171,1334 0.087,1335 11.009,1336 5.584,1337 9.848,1338 0.109,1339 0.047,1340 10.008,1341 4.187,1342 7.075,1343 0.069,1344 0.024,1345 7.019,1346 2.481,1347 0.25,1348 93.713,1349 0.211,1350 27.678,1351 0.425,1352 164,1353 591.619,1354 212.77,1355 541.959,1356 733.77,1357 506,1358 195,1359 530.029,1360 239.509,1361 538.328,1362 792.67,1363 505,1364 6.155}
{0 CHEMBL1651521,1 1.405,2 8.84,3 2.815,4 7.927,5 93.603,6 7.111,7 0.231,8 3.967,9 4.063,10 3.457,11 3.445,12 5.109,13 3.43,14 4.517,15 4.673,16 3.796,17 3.811,18 5.651,19 3.774,20 4.826,21 5.011,22 3.924,23 4,24 5.933,25 3.948,26 4.945,27 5.139,28 4.069,29 4.075,30 6.246,31 4.018,32 5.029,33 5.218,34 3.97,35 4.103,36 6.189,37 4.042,38 5.02,39 5.21,40 4.043,41 4.158,42 6.19,43 4.082,44 5.085,45 5.298,46 3.87,47 4.118,48 6.173,49 4.01,50 4.983,51 5.257,52 3.644,53 3.809,54 6.222,55 3.671,56 0.093,57 0.613,58 10.721,59 5.102,60 18.798,61 6.211,62 0.34,63 0.971,64 20.217,65 8.137,66 44.495,67 10.44,68 0.527,69 1.24,70 28.905,71 10.371,72 76.74,73 13.49,74 0.784,75 1.38,76 32.742,77 11.652,78 124.749,79 15.657,80 0.874,81 1.433,82 36.719,83 11.888,84 137.561,85 15.366,86 0.892,87 1.488,88 35.534,89 12.541,90 118.259,91 16.604,92 0.78,93 1.523,94 38.692,95 12.867,96 126.084,97 17.345,98 1.14,99 1.248,100 37.212,101 10.754,102 173.021,103 15.766,104 38,105 35,106 0.242,107 0.609,108 0.837,109 0.898,110 0.898,111 0.898,112 3.267,113 0.968,114 -3.49,115 -3.47,116 -3.31,118 38.8,119 1,120 5,123 1,126 2,132 2,138 2,139 2,140 2,151 1,153 1,167 7,170 1,171 8,175 4,178 11,182 5,186 2,188 7,192 13,195 4,197 4,199 9,204 5,208 3,211 7,214 3,215 7,220 6,223 15,228 1,233 1,235 6,239 1,240 6,243 3,244 1,245 4,247 4,252 1,264 697,265 16.37,266 16.37,267 16.37,268 16.37,269 16.37,270 15.164,271 20.781,272 9.724,273 16.702,274 12.755,275 12.755,276 12.755,277 12.755,278 12.755,279 10.719,280 21.252,281 4.544,282 13.18,283 4.209,284 2.078,285 0.756,286 0.398,287 0.398,288 0.398,289 3.927,292 1,293 1,294 1,295 450,296 2.236,300 49.094,307 1.059,308 43.92,310 1,311 1,312 1,313 1,314 1,315 1,316 1,317 1,318 1,319 56,320 221,321 4.499,322 3.739,323 6.734,324 4.13,325 3.145,326 4.179,327 1.674,328 10.897,329 3.091,330 3.808,331 3.522,332 5.433,333 3.559,334 2.554,335 3.077,336 1.277,337 7.109,338 2.57,339 3.742,340 3.053,341 5.316,342 3.422,343 2.481,344 3.029,345 0.86,346 6.867,347 2.32,348 3.412,349 2.635,350 5.142,351 3.198,352 2.247,353 2.576,355 6.271,356 2.132,357 3.308,358 2.537,359 5.053,360 3.044,361 2.057,362 2.469,364 5.805,365 2.015,366 3.177,367 2.482,368 4.653,369 2.934,370 1.953,371 2.212,373 5.08,374 1.9,375 2.996,376 2.301,377 4.542,378 2.639,379 1.67,380 2.02,382 4.385,383 1.59,384 2.535,385 1.605,386 3.478,387 2.065,388 1.071,389 1.348,391 2.385,392 1.059,393 2.15,394 1.22,395 3.375,396 1.982,397 0.991,398 1.111,400 2.172,401 0.974,402 1.66,403 1.067,404 2.989,405 1.353,406 0.476,407 0.537,409 0.793,410 0.411,411 1.202,412 0.696,413 2.742,414 1.017,415 0.033,416 0.036,417 0.078,418 0.032,419 1.115,420 0.659,421 2.577,422 0.855,423 -0.101,424 -0.112,425 -0.247,426 -0.096,427 1.055,428 0.369,429 2.512,430 0.676,431 -0.287,432 -0.347,433 -0.684,434 -0.272,435 0.796,436 0.079,437 2,438 0.482,439 -0.546,440 -0.679,441 -1.286,442 -0.541,443 0.67,444 0.018,445 2,446 0.399,447 -0.594,448 -0.723,449 -1.353,450 -0.581,451 11.5,452 0.46,453 0.685,454 0.027,455 26.5,456 1.06,457 11.5,458 0.46,459 15,460 0.6,461 24.654,462 0.986,463 29.3,464 0.598,465 22.14,466 0.886,467 5.217,468 0.209,469 6.684,470 0.267,471 0.203,473 0.348,478 0.822,479 1.239,480 0.853,481 1.215,482 0.753,483 1.069,484 0.819,485 1.15,486 0.866,487 1.134,488 0.613,489 1.031,490 1.112,491 1.032,492 0.993,493 1.019,494 1,495 0.983,496 0.716,497 1.138,498 0.836,499 1.128,500 0.791,501 1.03,502 1.441,503 0.968,504 1.216,505 0.966,506 1.533,507 1.023,508 0.947,509 1.073,510 1.05,511 1.081,512 1.041,513 1.09,514 1.154,515 1.143,516 1.202,517 1.151,518 1.222,519 1.183,520 0.737,521 0.859,522 0.835,523 0.866,524 0.684,525 0.873,526 6,527 0.049,528 2.444,529 2.625,530 1.404,531 1.25,532 0.509,533 0.606,534 0.27,535 0.116,536 5756,537 17816,538 1.928,539 49,540 4,541 9,544 2,545 2,546 7,549 1.688,550 1.765,551 3.119,552 0.273,553 1,554 1,558 68.861,559 1.405,560 3.537,561 4.859,562 5.217,563 5.217,564 5.217,565 2.263,566 4.404,567 4.627,568 3.209,569 962.774,570 8.038,571 11543.2,573 1,575 1,576 275.121,577 1.541,578 4.546,579 0.231,580 0.008,581 0.07,582 0.067,583 0.033,584 0.032,585 0.012,586 0.018,587 0.011,588 0.011,589 0.493,590 0.5,591 1,592 0.866,593 118.309,594 -0.073,595 -0.007,596 0.008,597 0.001,598 -0.084,599 0.021,600 0.025,601 -0.04,602 0.049,603 -0.032,604 0.056,605 0.008,606 -0.139,607 0.005,608 -0.033,609 0.012,610 -0.109,611 0.015,612 0.199,613 -0.115,614 0.12,615 -0.106,616 0.179,617 -0.027,618 -0.263,619 0.025,620 -0.209,621 0.013,622 -0.26,623 -0.069,624 0.023,625 -0.048,626 -0.089,627 -0.06,628 -0.048,629 -0.096,630 -0.168,631 -0.163,632 -0.227,633 -0.172,634 -0.175,635 -0.208,636 0.235,637 0.012,638 0.181,639 0.019,640 0.267,641 0.076,642 2.278,643 5.471,644 0.72,645 13.965,646 1.012,647 1.127,648 2.264,649 5.126,650 0.63,651 3.296,652 3.584,653 3.761,654 3.989,655 4.078,656 4.205,657 4.174,658 4.234,659 4.205,660 4.304,661 5.347,662 0.604,663 348.43,664 3.296,665 4.812,666 5.624,667 6.485,668 7.314,669 8.183,670 9.021,671 9.895,672 10.739,673 11.617,690 2,695 4,697 6,707 1,713 1,714 1,716 49,718 9,719 1,720 26,722 50,723 19,724 6,725 4,726 2,727 4,728 2,729 3,732 1,735 7,738 7,740 10,741 9,744 3,749 2,751 2,753 2,756 1,757 1,760 24,761 6,762 2,763 6,775 0.5,776 6,778 1,794 1,805 1,811 2,817 1,819 1,823 2,827 25,832 2,833 5,835 2,837 2,850 12.2,851 1,852 1,853 2,855 2,858 14.167,859 9.067,860 5.667,861 2.971,863 1.777,864 1.256,865 0.866,866 7.029,867 8.706,868 3.497,869 3.98,870 4.422,871 4.906,872 5.25,873 5.492,874 5.526,875 5.587,876 5.625,877 5.88,878 0.571,879 39,880 9.374,881 3.996,882 8.107,883 17.346,884 13.872,885 2.607,886 65.167,889 1,890 258.964,891 94.225,894 157.656,897 94.225,898 416.621,900 19.708,901 12.673,902 80.588,903 105.298,904 33.614,906 258.964,908 258.964,909 94.225,910 157.656,913 176.567,914 197.371,915 42.683,917 21.498,918 53.775,919 18.952,921 258.964,922 157.656,923 94.225,926 258.964,927 36.612,928 57.613,930 157.656,931 258.964,932 157.656,933 94.225,935 0.574,936 0.324,937 0.174,938 0.086,939 14,940 8,941 0.02,942 1,943 1,944 1.111,945 3.435,946 198.987,947 0.111,948 18,949 116.096,954 19.48,955 9.02,956 5.582,958 157.656,959 3.061,964 0.973,966 85.367,967 510.846,968 32,973 24.228,975 3.045,977 -0.761,980 49.567,981 55.239,983 0.25,984 0.63,985 0.865,986 0.929,987 0.929,988 0.929,989 4.732,990 1.071,991 5.609,992 4.385,993 4.263,994 4.663,995 2.429,996 6.378,997 4.206,998 5.909,999 0.991,1000 7.148,1001 2.385,1002 3.892,1003 4.511,1005 7.226,1006 3.81,1007 7.195,1008 0.476,1009 8.783,1010 2.172,1011 5.814,1012 6.718,1013 3.142,1014 10.308,1015 5.715,1016 8.511,1017 0.033,1018 10.477,1019 0.793,1020 6.196,1021 7.356,1023 12.014,1024 6.075,1025 9.858,1026 -0.101,1027 12.21,1028 0.078,1029 7.629,1030 9.108,1031 4,1032 14.648,1033 7.497,1034 11.229,1035 -0.287,1036 13.973,1037 -0.247,1038 8.385,1039 10.14,1041 16.756,1042 8.236,1043 12.619,1044 -0.546,1045 15.76,1046 -0.684,1047 9.623,1048 11.712,1049 4.937,1050 19.234,1051 9.464,1052 3.145,1053 -0.594,1054 17.569,1055 -1.286,1056 10.572,1057 12.945,1059 21.513,1060 10.398,1061 2.554,1062 10.897,1063 19.395,1064 -1.353,1065 11.734,1066 14.439,1067 5.916,1068 23.934,1069 11.55,1070 2.481,1071 7.109,1072 21.237,1073 4.179,1074 12.78,1075 15.771,1077 26.281,1078 12.58,1079 2.247,1080 6.867,1081 23.091,1082 3.077,1083 13.919,1084 17.232,1085 6.918,1086 28.681,1087 13.706,1088 2.057,1089 6.271,1090 24.955,1091 3.029,1092 15.013,1093 18.613,1095 31.054,1096 14.784,1097 1.953,1098 5.805,1099 26.829,1100 2.576,1101 16.146,1102 20.058,1103 7.932,1104 33.447,1105 15.903,1106 1.67,1107 5.08,1108 28.709,1109 2.469,1110 17.264,1111 21.463,1113 35.829,1114 17.005,1115 5898,1116 10459,1117 16.414,1118 30.864,1119 37.959,1120 39.955,1121 39.682,1122 37.363,1123 37.359,1124 45.189,1125 7.624,1126 103.684,1127 36.191,1128 5.44,1129 5.739,1130 6.289,1131 5.188,1132 5.145,1133 7.179,1134 3.349,1135 17.794,1136 5.091,1137 15.184,1138 1.46,1139 1.537,1140 1.526,1141 1.437,1142 1.437,1143 1.738,1144 0.293,1145 3.988,1146 1.392,1147 3.989,1148 4.003,1149 3.944,1150 3.904,1151 7.433,1152 3.91,1153 3.799,1154 3.828,1155 3.71,1156 3.68,1157 7.427,1158 3.681,1159 3.68,1160 3.727,1161 3.55,1162 3.529,1163 6.469,1164 3.524,1165 3.477,1166 3.515,1167 3.369,1168 3.301,1169 6.448,1170 3.305,1171 3.293,1172 3.334,1173 3.179,1174 3.063,1175 4.79,1176 3.08,1177 3.245,1178 3.298,1179 3.086,1180 3.044,1181 4.515,1182 3.052,1183 3.056,1184 3.092,1185 2.907,1186 2.797,1187 4.261,1188 2.804,1189 2.962,1190 3.027,1191 2.772,1192 2.762,1193 4.169,1194 2.754,1195 0.173,1196 0.144,1197 0.259,1198 0.159,1199 0.121,1200 4.499,1201 0.161,1202 3.739,1203 0.064,1204 6.734,1205 0.419,1206 4.13,1207 0.119,1208 3.145,1209 4.179,1210 1.674,1211 10.897,1212 3.091,1213 1.935,1214 1.921,1215 2.05,1216 2.043,1217 1.355,1218 2.042,1219 1.769,1220 1.737,1221 1.94,1222 1.917,1223 1.172,1224 1.922,1225 1.666,1226 1.618,1227 1.885,1228 1.854,1229 1.122,1230 1.868,1231 1.441,1232 1.396,1233 1.686,1234 1.652,1235 0.873,1236 1.66,1237 1.232,1238 1.168,1239 1.569,1240 1.514,1241 0.66,1242 1.528,1243 1.206,1244 1.165,1245 1.515,1246 1.449,1247 0.575,1248 1.467,1249 0.975,1250 0.933,1251 1.274,1252 1.258,1253 0.468,1254 1.233,1255 0.944,1256 0.878,1257 1.142,1258 1.205,1259 0.236,1260 1.21,1261 3.97,1263 5.263,1265 6.725,1267 8.278,1269 9.888,1271 3.194,1276 20.205,1277 1.869,1279 10.527,1281 -1.175,1289 29.61,1290 68.861,1291 173.307,1292 238.101,1293 255.611,1294 255.611,1295 255.611,1296 85.974,1297 6.93,1298 93.06,1299 93.06,1300 20,1301 12.162,1302 3.322,1303 2.807,1304 51.177,1305 87,1306 72,1307 0.309,1308 184.651,1309 338.54,1310 442.309,1311 9622,1313 18.397,1314 0.736,1315 0.581,1316 18.397,1317 14.527,1318 11.901,1319 0.458,1320 0.323,1321 8.254,1322 11.337,1323 8.027,1324 6.658,1325 11.901,1326 8.386,1327 10.686,1328 0.305,1329 0.179,1330 10.686,1331 6.251,1332 8.022,1333 0.191,1334 0.098,1335 8.022,1336 4.113,1337 6.874,1338 0.13,1339 0.053,1340 6.874,1341 2.819,1342 4.532,1343 0.078,1344 0.03,1345 4.532,1346 1.766,1347 0.471,1348 75.648,1349 0.247,1350 23.641,1351 0.888,1352 122,1353 429.242,1354 137.722,1355 395.301,1356 511.12,1357 366,1358 138,1359 346.485,1360 151.621,1361 345.829,1362 499.78,1363 323,1364 5.131}
{0 CHEMBL1651522,1 1.405,2 8.84,3 2.815,4 7.927,5 93.603,6 7.111,7 0.231,8 3.967,9 4.063,10 3.457,11 3.445,12 5.109,13 3.43,14 4.517,15 4.673,16 3.796,17 3.811,18 5.651,19 3.774,20 4.826,21 5.011,22 3.924,23 4,24 5.933,25 3.948,26 4.945,27 5.139,28 4.069,29 4.075,30 6.246,31 4.018,32 5.029,33 5.218,34 3.97,35 4.103,36 6.189,37 4.042,38 5.02,39 5.21,40 4.043,41 4.158,42 6.19,43 4.082,44 5.085,45 5.298,46 3.87,47 4.118,48 6.173,49 4.01,50 4.983,51 5.257,52 3.644,53 3.809,54 6.222,55 3.671,56 0.093,57 0.613,58 10.721,59 5.102,60 18.798,61 6.211,62 0.34,63 0.971,64 20.217,65 8.137,66 44.495,67 10.44,68 0.527,69 1.24,70 28.905,71 10.371,72 76.74,73 13.49,74 0.784,75 1.38,76 32.742,77 11.652,78 124.749,79 15.657,80 0.874,81 1.433,82 36.719,83 11.888,84 137.561,85 15.366,86 0.892,87 1.488,88 35.534,89 12.541,90 118.259,91 16.604,92 0.78,93 1.523,94 38.692,95 12.867,96 126.084,97 17.345,98 1.14,99 1.248,100 37.212,101 10.754,102 173.021,103 15.766,104 38,105 35,106 0.242,107 0.609,108 0.837,109 0.898,110 0.898,111 0.898,112 3.267,113 0.968,114 -3.49,115 -3.47,116 -3.31,118 38.8,119 1,120 5,123 1,126 2,132 2,138 2,139 2,140 2,151 1,153 1,167 7,170 1,171 8,175 4,178 11,182 5,186 2,188 7,192 13,195 4,197 4,199 9,204 5,208 3,211 7,214 3,215 7,220 6,223 15,228 1,233 1,235 6,239 1,240 6,243 3,244 1,245 4,247 4,252 1,264 697,265 16.37,266 16.37,267 16.37,268 16.37,269 16.37,270 15.164,271 20.781,272 9.724,273 16.702,274 12.755,275 12.755,276 12.755,277 12.755,278 12.755,279 10.719,280 21.252,281 4.544,282 13.18,283 4.209,284 2.078,285 0.756,286 0.398,287 0.398,288 0.398,289 3.927,292 1,293 1,294 1,295 450,296 2.236,300 49.094,307 1.059,308 43.92,310 1,311 1,312 1,313 1,314 1,315 1,316 1,317 1,318 1,319 56,320 221,321 4.499,322 3.739,323 6.734,324 4.13,325 3.145,326 4.179,327 1.674,328 10.897,329 3.091,330 3.808,331 3.522,332 5.433,333 3.559,334 2.554,335 3.077,336 1.277,337 7.109,338 2.57,339 3.742,340 3.053,341 5.316,342 3.422,343 2.481,344 3.029,345 0.86,346 6.867,347 2.32,348 3.412,349 2.635,350 5.142,351 3.198,352 2.247,353 2.576,355 6.271,356 2.132,357 3.308,358 2.537,359 5.053,360 3.044,361 2.057,362 2.469,364 5.805,365 2.015,366 3.177,367 2.482,368 4.653,369 2.934,370 1.953,371 2.212,373 5.08,374 1.9,375 2.996,376 2.301,377 4.542,378 2.639,379 1.67,380 2.02,382 4.385,383 1.59,384 2.535,385 1.605,386 3.478,387 2.065,388 1.071,389 1.348,391 2.385,392 1.059,393 2.15,394 1.22,395 3.375,396 1.982,397 0.991,398 1.111,400 2.172,401 0.974,402 1.66,403 1.067,404 2.989,405 1.353,406 0.476,407 0.537,409 0.793,410 0.411,411 1.202,412 0.696,413 2.742,414 1.017,415 0.033,416 0.036,417 0.078,418 0.032,419 1.115,420 0.659,421 2.577,422 0.855,423 -0.101,424 -0.112,425 -0.247,426 -0.096,427 1.055,428 0.369,429 2.512,430 0.676,431 -0.287,432 -0.347,433 -0.684,434 -0.272,435 0.796,436 0.079,437 2,438 0.482,439 -0.546,440 -0.679,441 -1.286,442 -0.541,443 0.67,444 0.018,445 2,446 0.399,447 -0.594,448 -0.723,449 -1.353,450 -0.581,451 11.5,452 0.46,453 0.685,454 0.027,455 26.5,456 1.06,457 11.5,458 0.46,459 15,460 0.6,461 24.654,462 0.986,463 29.3,464 0.598,465 22.14,466 0.886,467 5.217,468 0.209,469 6.684,470 0.267,471 0.203,473 0.348,478 0.822,479 1.239,480 0.853,481 1.215,482 0.753,483 1.069,484 0.819,485 1.15,486 0.866,487 1.134,488 0.613,489 1.031,490 1.112,491 1.032,492 0.993,493 1.019,494 1,495 0.983,496 0.716,497 1.138,498 0.836,499 1.128,500 0.791,501 1.03,502 1.441,503 0.968,504 1.216,505 0.966,506 1.533,507 1.023,508 0.947,509 1.073,510 1.05,511 1.081,512 1.041,513 1.09,514 1.154,515 1.143,516 1.202,517 1.151,518 1.222,519 1.183,520 0.737,521 0.859,522 0.835,523 0.866,524 0.684,525 0.873,526 6,527 0.049,528 2.444,529 2.625,530 1.404,531 1.25,532 0.509,533 0.606,534 0.27,535 0.116,536 5756,537 17816,538 1.928,539 49,540 4,541 9,544 2,545 2,546 7,549 1.688,550 1.765,551 3.119,552 0.273,553 1,554 1,558 68.861,559 1.405,560 3.537,561 4.859,562 5.217,563 5.217,564 5.217,565 2.263,566 4.404,567 4.627,568 3.209,569 962.774,570 8.038,571 11543.2,573 1,575 1,576 275.121,577 1.541,578 4.546,579 0.231,580 0.008,581 0.07,582 0.067,583 0.033,584 0.032,585 0.012,586 0.018,587 0.011,588 0.011,589 0.493,590 0.5,591 1,592 0.866,593 118.309,594 -0.073,595 -0.007,596 0.008,597 0.001,598 -0.084,599 0.021,600 0.025,601 -0.04,602 0.049,603 -0.032,604 0.056,605 0.008,606 -0.139,607 0.005,608 -0.033,609 0.012,610 -0.109,611 0.015,612 0.199,613 -0.115,614 0.12,615 -0.106,616 0.179,617 -0.027,618 -0.263,619 0.025,620 -0.209,621 0.013,622 -0.26,623 -0.069,624 0.023,625 -0.048,626 -0.089,627 -0.06,628 -0.048,629 -0.096,630 -0.168,631 -0.163,632 -0.227,633 -0.172,634 -0.175,635 -0.208,636 0.235,637 0.012,638 0.181,639 0.019,640 0.267,641 0.076,642 2.278,643 5.471,644 0.72,645 13.965,646 1.012,647 1.127,648 2.264,649 5.126,650 0.63,651 3.296,652 3.584,653 3.761,654 3.989,655 4.078,656 4.205,657 4.174,658 4.234,659 4.205,660 4.304,661 5.347,662 0.604,663 348.43,664 3.296,665 4.812,666 5.624,667 6.485,668 7.314,669 8.183,670 9.021,671 9.895,672 10.739,673 11.617,690 2,695 4,697 6,707 1,713 1,714 1,716 49,718 9,719 1,720 26,722 50,723 19,724 6,725 4,726 2,727 4,728 2,729 3,732 1,735 7,738 7,740 10,741 9,744 3,749 2,751 2,753 2,756 1,757 1,760 24,761 6,762 2,763 6,775 0.5,776 6,778 1,794 1,805 1,811 2,817 1,819 1,823 2,827 25,832 2,833 5,835 2,837 2,850 12.2,851 1,852 1,853 2,855 2,858 14.167,859 9.067,860 5.667,861 2.971,863 1.777,864 1.256,865 0.866,866 7.029,867 8.706,868 3.497,869 3.98,870 4.422,871 4.906,872 5.25,873 5.492,874 5.526,875 5.587,876 5.625,877 5.88,878 0.571,879 39,880 9.374,881 3.996,882 8.107,883 17.346,884 13.872,885 2.607,886 65.167,889 1,890 258.964,891 94.225,894 157.656,897 94.225,898 416.621,900 19.708,901 12.673,902 80.588,903 105.298,904 33.614,906 258.964,908 258.964,909 94.225,910 157.656,913 176.567,914 197.371,915 42.683,917 21.498,918 53.775,919 18.952,921 258.964,922 157.656,923 94.225,926 258.964,927 36.612,928 57.613,930 157.656,931 258.964,932 157.656,933 94.225,935 0.574,936 0.324,937 0.174,938 0.086,939 14,940 8,941 0.02,942 1,943 1,944 1.111,945 3.435,946 198.987,947 0.111,948 18,949 116.096,954 19.48,955 9.02,956 5.582,958 157.656,959 3.061,964 0.973,966 85.367,967 510.846,968 32,973 24.228,975 3.045,977 -0.761,980 49.567,981 55.239,983 0.25,984 0.63,985 0.865,986 0.929,987 0.929,988 0.929,989 4.732,990 1.071,991 5.609,992 4.385,993 4.263,994 4.663,995 2.429,996 6.378,997 4.206,998 5.909,999 0.991,1000 7.148,1001 2.385,1002 3.892,1003 4.511,1005 7.226,1006 3.81,1007 7.195,1008 0.476,1009 8.783,1010 2.172,1011 5.814,1012 6.718,1013 3.142,1014 10.308,1015 5.715,1016 8.511,1017 0.033,1018 10.477,1019 0.793,1020 6.196,1021 7.356,1023 12.014,1024 6.075,1025 9.858,1026 -0.101,1027 12.21,1028 0.078,1029 7.629,1030 9.108,1031 4,1032 14.648,1033 7.497,1034 11.229,1035 -0.287,1036 13.973,1037 -0.247,1038 8.385,1039 10.14,1041 16.756,1042 8.236,1043 12.619,1044 -0.546,1045 15.76,1046 -0.684,1047 9.623,1048 11.712,1049 4.937,1050 19.234,1051 9.464,1052 3.145,1053 -0.594,1054 17.569,1055 -1.286,1056 10.572,1057 12.945,1059 21.513,1060 10.398,1061 2.554,1062 10.897,1063 19.395,1064 -1.353,1065 11.734,1066 14.439,1067 5.916,1068 23.934,1069 11.55,1070 2.481,1071 7.109,1072 21.237,1073 4.179,1074 12.78,1075 15.771,1077 26.281,1078 12.58,1079 2.247,1080 6.867,1081 23.091,1082 3.077,1083 13.919,1084 17.232,1085 6.918,1086 28.681,1087 13.706,1088 2.057,1089 6.271,1090 24.955,1091 3.029,1092 15.013,1093 18.613,1095 31.054,1096 14.784,1097 1.953,1098 5.805,1099 26.829,1100 2.576,1101 16.146,1102 20.058,1103 7.932,1104 33.447,1105 15.903,1106 1.67,1107 5.08,1108 28.709,1109 2.469,1110 17.264,1111 21.463,1113 35.829,1114 17.005,1115 5898,1116 10459,1117 16.414,1118 30.864,1119 37.959,1120 39.955,1121 39.682,1122 37.363,1123 37.359,1124 45.189,1125 7.624,1126 103.684,1127 36.191,1128 5.44,1129 5.739,1130 6.289,1131 5.188,1132 5.145,1133 7.179,1134 3.349,1135 17.794,1136 5.091,1137 15.184,1138 1.46,1139 1.537,1140 1.526,1141 1.437,1142 1.437,1143 1.738,1144 0.293,1145 3.988,1146 1.392,1147 3.989,1148 4.003,1149 3.944,1150 3.904,1151 7.433,1152 3.91,1153 3.799,1154 3.828,1155 3.71,1156 3.68,1157 7.427,1158 3.681,1159 3.68,1160 3.727,1161 3.55,1162 3.529,1163 6.469,1164 3.524,1165 3.477,1166 3.515,1167 3.369,1168 3.301,1169 6.448,1170 3.305,1171 3.293,1172 3.334,1173 3.179,1174 3.063,1175 4.79,1176 3.08,1177 3.245,1178 3.298,1179 3.086,1180 3.044,1181 4.515,1182 3.052,1183 3.056,1184 3.092,1185 2.907,1186 2.797,1187 4.261,1188 2.804,1189 2.962,1190 3.027,1191 2.772,1192 2.762,1193 4.169,1194 2.754,1195 0.173,1196 0.144,1197 0.259,1198 0.159,1199 0.121,1200 4.499,1201 0.161,1202 3.739,1203 0.064,1204 6.734,1205 0.419,1206 4.13,1207 0.119,1208 3.145,1209 4.179,1210 1.674,1211 10.897,1212 3.091,1213 1.935,1214 1.921,1215 2.05,1216 2.043,1217 1.355,1218 2.042,1219 1.769,1220 1.737,1221 1.94,1222 1.917,1223 1.172,1224 1.922,1225 1.666,1226 1.618,1227 1.885,1228 1.854,1229 1.122,1230 1.868,1231 1.441,1232 1.396,1233 1.686,1234 1.652,1235 0.873,1236 1.66,1237 1.232,1238 1.168,1239 1.569,1240 1.514,1241 0.66,1242 1.528,1243 1.206,1244 1.165,1245 1.515,1246 1.449,1247 0.575,1248 1.467,1249 0.975,1250 0.933,1251 1.274,1252 1.258,1253 0.468,1254 1.233,1255 0.944,1256 0.878,1257 1.142,1258 1.205,1259 0.236,1260 1.21,1261 3.97,1263 5.263,1265 6.725,1267 8.278,1269 9.888,1271 3.194,1276 20.205,1277 1.869,1279 10.527,1281 -1.175,1289 29.61,1290 68.861,1291 173.307,1292 238.101,1293 255.611,1294 255.611,1295 255.611,1296 85.974,1297 6.93,1298 93.06,1299 93.06,1300 20,1301 12.162,1302 3.322,1303 2.807,1304 51.177,1305 87,1306 72,1307 0.309,1308 184.651,1309 338.54,1310 442.309,1311 9622,1313 18.397,1314 0.736,1315 0.581,1316 18.397,1317 14.527,1318 11.901,1319 0.458,1320 0.323,1321 8.254,1322 11.337,1323 8.027,1324 6.658,1325 11.901,1326 8.386,1327 10.686,1328 0.305,1329 0.179,1330 10.686,1331 6.251,1332 8.022,1333 0.191,1334 0.098,1335 8.022,1336 4.113,1337 6.874,1338 0.13,1339 0.053,1340 6.874,1341 2.819,1342 4.532,1343 0.078,1344 0.03,1345 4.532,1346 1.766,1347 0.471,1348 75.648,1349 0.247,1350 23.641,1351 0.888,1352 122,1353 429.242,1354 137.722,1355 395.301,1356 511.12,1357 366,1358 138,1359 346.485,1360 151.621,1361 345.829,1362 499.78,1363 323,1364 5}
{0 CHEMBL1651523,1 1.369,2 8.792,3 3.917,4 15.346,5 92.088,6 6.926,7 0.24,8 3.936,9 4.038,10 3.414,11 3.438,12 5.035,13 3.409,14 4.494,15 4.661,16 3.734,17 3.799,18 5.578,19 3.744,20 4.785,21 4.984,22 3.861,23 3.978,24 5.827,25 3.91,26 4.89,27 5.089,28 3.988,29 4.048,30 6.104,31 3.977,32 4.983,33 5.18,34 3.909,35 4.079,36 6.093,37 4.004,38 4.979,39 5.172,40 3.97,41 4.135,42 6.114,43 4.044,44 5.045,45 5.272,46 3.746,47 4.091,48 6.066,49 3.954,50 4.915,51 5.208,52 3.355,53 3.758,54 5.915,55 3.575,56 0.039,57 0.601,58 10.633,59 5.053,60 10.606,61 6.303,62 0.262,63 0.959,64 20.036,65 8.112,66 34.195,67 10.596,68 0.356,69 1.216,70 27.759,71 10.278,72 51.524,73 13.621,74 0.564,75 1.339,76 30.959,77 11.361,78 90.523,79 15.299,80 0.664,81 1.401,82 35.01,83 11.698,84 106.94,85 15.272,86 0.762,87 1.453,88 34.208,89 12.304,90 100.274,91 16.364,92 0.589,93 1.498,94 37.06,95 12.771,96 97.52,97 17.424,98 0.678,99 1.207,100 34.05,101 10.453,102 110.754,103 15.183,104 27,105 33,106 0.237,107 0.583,108 0.806,109 0.874,110 0.889,111 0.889,112 3.229,113 0.997,114 -4.27,115 -4.2,116 -3.97,118 39.6,119 1,120 6,123 1,126 1,132 2,138 2,139 2,140 2,151 1,153 1,167 9,170 1,171 8,175 2,178 12,182 6,186 1,188 9,192 13,195 3,197 2,199 11,204 5,208 1,211 10,214 3,215 7,220 3,223 15,228 4,233 2,235 8,239 1,240 6,245 2,247 4,252 1,264 632,265 15.922,266 15.922,267 15.922,268 15.922,269 15.922,270 14.716,271 20.11,272 9.609,273 16.214,274 12.272,275 12.272,276 12.272,277 12.272,278 12.272,279 10.226,280 20.646,281 4.504,282 12.617,283 4.216,284 2.213,285 0.928,286 0.531,287 0.448,288 0.448,289 3.891,292 1,293 1,294 1,295 431,296 2.121,300 46.155,307 1.142,308 35.944,310 1,311 1,312 1,313 1,314 1,315 1,316 1,317 1,318 1,319 53,320 211,321 4.499,322 3.739,323 6.734,324 4.13,325 3.145,326 4.179,327 1.674,328 10.897,329 3.091,330 3.771,331 3.502,332 5.433,333 3.459,334 2.494,335 3.076,336 1.277,337 7.109,338 2.484,339 3.729,340 3.052,341 5.145,342 3.389,343 2.376,344 2.998,345 0.86,346 6.294,347 2.31,348 3.386,349 2.631,350 5.069,351 3.173,352 2.224,353 2.57,355 6.068,356 2.101,357 3.307,358 2.498,359 5.016,360 3.013,361 2.033,362 2.459,364 5.8,365 1.987,366 3.007,367 2.32,368 4.545,369 2.64,370 1.67,371 2.037,373 4.384,374 1.596,375 2.713,376 1.679,377 3.748,378 2.574,379 1.576,380 1.693,382 3.328,383 1.565,384 2.495,385 1.604,386 3.321,387 2.043,388 1.044,389 1.338,391 2.251,392 1.037,393 1.897,394 1.092,395 3.294,396 1.759,397 0.753,398 0.818,400 1.675,401 0.754,402 1.655,403 1.066,404 2.886,405 1.351,406 0.475,407 0.535,409 0.775,410 0.41,411 1.187,412 0.664,413 2.667,414 0.999,419 1.115,420 0.581,421 2.476,422 0.826,423 -0.122,424 -0.139,425 -0.288,426 -0.114,427 1.055,428 0.173,429 2.403,430 0.668,431 -0.323,432 -0.416,433 -0.752,434 -0.315,435 0.718,436 0.079,437 1.91,438 0.415,439 -0.588,440 -0.71,441 -1.343,442 -0.581,443 0.669,444 -0.217,445 1.838,446 0.396,447 -0.612,448 -0.773,449 -1.438,450 -0.609,451 11.167,452 0.465,453 0.579,454 0.024,455 25.75,456 1.073,457 11.5,458 0.479,459 14.25,460 0.594,461 23.225,462 0.968,463 27.833,464 0.58,465 20.209,466 0.842,467 4.936,468 0.206,469 6.572,470 0.274,471 0.179,473 0.313,478 0.761,479 1.255,480 0.858,481 1.232,482 0.659,483 1.091,484 0.787,485 1.13,486 0.877,487 1.118,488 0.537,489 1.032,490 1.037,491 1.016,492 0.936,493 1.002,494 0.895,495 0.956,496 0.748,497 1.15,498 0.869,499 1.138,500 0.867,501 1.046,502 1.482,503 0.966,504 1.2,505 0.962,506 1.591,507 1.012,508 0.992,509 1.074,510 1.1,511 1.084,512 1.116,513 1.11,514 1.134,515 1.123,516 1.21,517 1.135,518 1.204,519 1.181,520 0.946,521 0.836,522 0.938,523 0.843,524 0.846,525 0.882,526 5,527 0.049,528 2.222,529 2.25,530 1.324,531 1.139,532 0.509,533 0.411,534 0.205,535 0.116,536 5251,537 14947,538 1.948,539 50,540 8,541 8,544 1,545 2,546 5,549 1.677,550 1.8,551 3.12,552 -0.342,554 1,558 65.719,559 1.369,560 3.372,561 4.657,562 5.054,563 5.137,564 5.137,565 2.289,566 4.054,567 4.567,568 3.204,569 884.215,570 7.914,571 10288.6,573 1,575 1,576 268.078,577 1.49,578 4.498,579 0.2,580 0.008,581 0.067,582 0.061,583 0.033,584 0.031,585 0.013,586 0.014,587 0.011,588 0.012,589 0.45,590 0.33,591 1,592 0.854,593 112.147,594 -0.038,595 -0.039,596 0.024,597 -0.029,598 -0.042,599 0.005,600 0.06,601 -0.038,602 0.055,603 -0.031,604 0.095,605 0.005,606 -0.09,607 0.013,608 0.027,609 0.023,610 -0.055,611 0.046,612 0.187,613 -0.127,614 0.093,615 -0.118,616 0.138,617 -0.045,618 -0.244,619 0.025,620 -0.183,621 0.014,622 -0.248,623 -0.059,624 0.043,625 -0.052,626 -0.124,627 -0.07,628 -0.044,629 -0.123,630 -0.154,631 -0.15,632 -0.234,633 -0.163,634 -0.151,635 -0.208,637 0.035,638 0.062,639 0.042,640 0.071,641 0.062,642 2.213,643 5.456,644 0.75,645 13.556,646 1.005,647 1.126,648 3.036,649 9.217,650 0.634,651 3.258,652 3.526,653 3.714,654 3.932,655 4.043,656 4.159,657 4.111,658 4.111,659 4.127,660 4.19,661 5.276,662 0.602,663 332.43,664 3.258,665 4.762,666 5.572,667 6.425,668 7.255,669 8.119,670 8.959,671 9.83,672 10.676,673 11.552,690 2,695 4,697 6,707 1,713 1,714 1,716 48,718 9,719 1,720 25,722 49,723 19,724 6,725 4,726 2,727 4,728 2,729 3,732 1,735 7,738 7,740 10,741 9,744 3,749 2,751 2,753 2,757 1,760 24,761 5,762 1,763 5,775 0.5,776 5,794 1,805 1,811 2,819 1,823 2,827 24,832 1,833 6,835 2,837 1,850 10.4,852 1,853 2,855 2,858 13.333,859 9.033,860 5.5,861 3.071,863 1.782,864 1.26,865 0.897,866 6.859,867 8.632,868 3.466,869 3.942,870 4.398,871 4.876,872 5.234,873 5.471,874 5.494,875 5.51,876 5.566,877 5.779,878 0.571,879 37,880 8.971,881 3.751,882 7.972,883 16.888,884 13.438,885 2.472,886 59.333,889 1,890 270.735,891 96.76,894 114.973,897 96.76,898 385.708,900 19.708,901 15.207,902 37.905,903 105.298,904 33.614,906 270.735,908 270.735,909 96.76,910 114.973,913 211.88,914 173.828,917 24.032,918 53.775,919 18.952,921 270.735,922 114.973,923 96.76,926 270.735,927 39.147,928 57.613,930 114.973,931 270.735,932 114.973,933 96.76,935 0.567,936 0.322,937 0.173,938 0.089,939 13,940 7,941 0.02,942 1,943 1,944 1.111,945 3.396,946 186.299,947 0.111,948 18,949 110.039,954 18.532,955 8.883,956 5.366,958 114.973,959 3.185,964 1.299,966 42.683,967 482.468,968 31,973 24.163,975 3.299,977 -0.445,980 48.24,981 54.029,983 0.245,984 0.604,985 0.834,986 0.905,987 0.92,988 0.92,989 4.687,990 1.044,991 5.541,992 3.328,993 4.205,994 4.625,995 2.429,996 6.301,997 4.157,998 5.856,999 0.753,1000 7.071,1001 2.251,1002 3.761,1003 4.443,1005 7.144,1006 3.698,1007 7.138,1008 0.475,1009 8.703,1010 1.675,1011 5.74,1012 6.689,1013 3.142,1014 10.241,1015 5.654,1016 8.455,1018 10.397,1019 0.775,1020 6.089,1021 7.324,1023 11.97,1024 5.987,1025 9.805,1026 -0.122,1027 12.134,1029 7.551,1030 9.09,1031 4,1032 14.61,1033 7.434,1034 11.179,1035 -0.323,1036 13.903,1037 -0.288,1038 8.299,1039 10.125,1041 16.734,1042 8.166,1043 12.574,1044 -0.588,1045 15.699,1046 -0.752,1047 9.552,1048 11.702,1049 4.937,1050 19.216,1051 9.407,1052 3.145,1053 -0.612,1054 17.515,1055 -1.343,1056 10.504,1057 12.937,1059 21.503,1060 10.342,1061 2.494,1062 10.897,1063 19.349,1064 -1.438,1065 11.677,1066 14.434,1067 5.916,1068 23.926,1069 11.502,1070 2.376,1071 7.109,1072 21.198,1073 4.179,1074 12.729,1075 15.767,1077 26.276,1078 12.536,1079 2.224,1080 6.294,1081 23.059,1082 3.076,1083 13.875,1084 17.229,1085 6.918,1086 28.678,1087 13.668,1088 2.033,1089 6.068,1090 24.929,1091 2.998,1092 14.974,1093 18.611,1095 31.052,1096 14.75,1097 1.67,1098 5.8,1099 26.807,1100 2.57,1101 16.114,1102 20.056,1103 7.932,1104 33.445,1105 15.873,1106 1.576,1107 4.384,1108 28.691,1109 2.459,1110 17.236,1111 21.462,1113 35.828,1114 16.978,1115 5365,1116 9156,1117 16.008,1118 30.409,1119 36.118,1120 38.161,1121 37.635,1122 35.586,1123 35.583,1124 43.404,1125 7.624,1126 97.163,1127 34.669,1128 5.439,1129 5.739,1130 6.504,1131 5.188,1132 5.145,1133 7.179,1134 3.349,1135 17.794,1136 5.091,1137 13.488,1138 1.445,1139 1.526,1140 1.505,1141 1.423,1142 1.423,1143 1.736,1144 0.305,1145 3.887,1146 1.387,1147 3.988,1148 4.002,1149 3.943,1150 3.904,1151 7.433,1152 3.909,1153 3.794,1154 3.827,1155 3.699,1156 3.681,1157 7.427,1158 3.678,1159 3.673,1160 3.726,1161 3.532,1162 3.531,1163 6.468,1164 3.519,1165 3.477,1166 3.515,1167 3.365,1168 3.301,1169 4.79,1170 3.305,1171 3.293,1172 3.334,1173 3.178,1174 3.062,1175 4.516,1176 3.078,1177 3.226,1178 3.29,1179 3.049,1180 3.044,1181 4.264,1182 3.043,1183 3.054,1184 3.092,1185 2.902,1186 2.797,1187 4.192,1188 2.804,1189 2.959,1190 3.024,1191 2.772,1192 2.762,1193 4.005,1194 2.754,1195 0.18,1196 0.15,1197 0.269,1198 0.165,1199 0.126,1200 4.499,1201 0.167,1202 3.739,1203 0.067,1204 6.734,1205 0.436,1206 4.13,1207 0.124,1208 3.145,1209 4.179,1210 1.674,1211 10.897,1212 3.091,1213 1.935,1214 1.921,1215 2.06,1216 2.043,1217 1.375,1218 2.044,1219 1.774,1220 1.738,1221 1.945,1222 1.916,1223 1.173,1224 1.926,1225 1.673,1226 1.619,1227 1.905,1228 1.852,1229 1.146,1230 1.873,1231 1.441,1232 1.396,1233 1.687,1234 1.652,1235 0.882,1236 1.66,1237 1.236,1238 1.166,1239 1.572,1240 1.514,1241 0.671,1242 1.529,1243 1.207,1244 1.164,1245 1.527,1246 1.438,1247 0.576,1248 1.469,1249 0.975,1250 0.933,1251 1.279,1252 1.257,1253 0.472,1254 1.232,1255 0.944,1256 0.877,1257 1.144,1258 1.198,1259 0.25,1260 1.21,1261 3.932,1263 5.209,1265 6.663,1267 8.213,1269 9.823,1271 3.279,1276 10.226,1277 4.12,1279 10.584,1281 -0.376,1289 28.896,1290 65.719,1291 161.858,1292 223.549,1293 242.568,1294 246.568,1295 246.568,1296 70.325,1297 6.85,1298 72.83,1299 72.83,1300 20,1301 12.097,1302 3.322,1303 2.807,1304 48.005,1305 82,1306 68,1307 0.307,1308 180.655,1309 329.75,1310 432.558,1311 8813,1313 17.527,1314 0.73,1315 0.592,1316 17.527,1317 14.21,1318 11.507,1319 0.46,1320 0.332,1321 8.197,1322 11.014,1323 7.962,1324 6.641,1325 11.507,1326 8.312,1327 10.053,1328 0.305,1329 0.184,1330 10.053,1331 6.062,1332 7.717,1333 0.193,1334 0.102,1335 7.717,1336 4.062,1337 6.443,1338 0.129,1339 0.055,1340 6.443,1341 2.763,1342 4.45,1343 0.079,1344 0.032,1345 4.45,1346 1.791,1347 0.468,1348 72.707,1349 0.25,1350 22.898,1351 0.881,1352 116,1353 391.092,1354 129.618,1355 362.002,1356 472.56,1357 336,1358 131,1359 325.212,1360 142.96,1361 325.402,1362 470.08,1363 304,1364 5}
{0 CHEMBL169186,1 1.667,2 13.273,3 4.995,4 24.954,5 126.156,6 7.85,7 0.459,8 4.218,9 4.323,10 3.837,11 3.705,12 5.262,13 3.706,14 4.796,15 4.961,16 4.199,17 4.1,18 5.807,19 4.081,20 4.995,21 5.197,22 4.289,23 4.238,24 5.954,25 4.18,26 5.042,27 5.257,28 4.235,29 4.223,30 5.992,31 4.144,32 5.026,33 5.253,34 4.222,35 4.188,36 5.97,37 4.103,38 4.971,39 5.189,40 4.189,41 4.149,42 5.935,43 4.079,44 4.932,45 5.139,46 4.16,47 4.114,48 5.937,49 4.057,50 4.856,51 5.058,52 4.053,53 4.042,54 5.836,55 3.971,56 0.076,57 0.867,58 11.976,59 5.506,60 7.485,61 6.909,62 0.559,63 1.389,64 26.067,65 9.168,66 32.525,67 11.67,68 0.611,69 1.632,70 34.871,71 11.608,72 37.988,73 15.769,74 0.749,75 1.644,76 38.898,77 12.34,78 47.427,79 16.669,80 0.776,81 1.57,82 38.278,83 12.366,84 51.903,85 16.958,86 0.635,87 1.483,88 36.652,89 11.792,90 46.106,91 15.819,92 0.723,93 1.451,94 35.201,95 10.326,96 50.824,97 13.697,98 0.633,99 1.37,100 30.809,101 10.264,102 42.169,103 13.656,104 6,105 51,106 0.27,107 0.571,108 0.768,109 0.847,110 0.862,111 0.862,112 3.532,113 0.943,114 -4.11,115 -4.05,116 -3.84,118 40,120 4,123 1,124 4,125 1,138 4,139 1,140 6,142 1,143 1,144 1,167 4,170 2,171 10,173 1,175 1,178 3,181 1,182 8,184 1,186 3,188 2,191 2,192 4,195 2,197 2,199 3,203 3,204 5,206 1,211 4,214 2,215 7,218 1,223 4,227 2,228 6,235 3,239 3,240 6,245 1,247 3,251 2,252 5,260 3,264 1992,265 23.007,266 23.007,267 23.007,268 23.007,269 23.007,270 20.943,271 30.661,272 13.737,273 23.854,274 18.246,275 18.246,276 18.246,277 18.246,278 18.246,279 14.986,280 41.103,281 6.452,282 19.579,283 4.24,284 2.377,285 1.163,286 0.671,287 0.579,288 0.579,289 4.244,290 1,293 1,294 1,295 974,296 3.317,299 70.934,300 367.677,303 130.476,304 144.141,307 2.402,308 30.435,311 1,312 0.83,313 1,314 1,315 0.5,316 1,317 1,318 0.9,319 72.333,320 438,321 4.589,322 3.491,323 6.706,324 4.137,325 3.187,326 4.515,327 1.392,328 10.88,329 3.037,330 4.462,331 3.284,332 6.556,333 4.027,334 3.075,335 4.161,336 0.86,337 10.403,338 2.901,339 3.988,340 2.963,341 6.043,342 3.576,343 2.646,344 3.491,345 0.86,346 8.672,347 2.451,348 3.628,349 2.848,350 5.627,351 3.448,352 2.52,353 2.959,354 0.8,355 7.276,356 2.339,357 3.521,358 2.825,359 5.34,360 3.233,361 2.329,362 2.794,363 0.532,364 6.965,365 2.077,366 3.42,367 2.311,368 5.174,369 2.939,370 2.011,371 2.522,372 0.4,373 6.119,374 1.847,375 3.092,376 2.218,377 4.645,378 2.694,379 1.77,380 2.308,382 4.783,383 1.629,384 2.999,385 2.001,386 4.528,387 2.619,388 1.67,389 2.206,391 4.492,392 1.571,393 2.756,394 1.812,395 3.946,396 2.495,397 1.54,398 1.814,400 3.384,401 1.456,402 2.585,403 1.638,404 3.701,405 2.307,406 1.388,407 1.59,409 3.127,410 1.271,411 2.313,412 1.475,413 3.629,414 2.145,415 1.202,416 1.303,417 2.689,418 1.121,419 2.235,420 1.428,421 3.457,422 2.098,423 1.128,424 1.217,425 2.533,426 1.076,427 2,428 1.241,429 3.422,430 1.984,431 1,432 1,433 2.136,434 0.983,435 1.888,436 1.077,437 3.247,438 1.643,439 0.751,440 0.825,441 1.93,442 0.663,443 1.736,444 0.915,445 3.124,446 1.448,447 0.543,448 0.629,449 1.25,450 0.485,451 15.648,452 0.474,453 0.619,454 0.019,455 41.5,456 1.258,457 18.5,458 0.561,459 23,460 0.697,461 30.546,462 0.926,463 36.552,464 0.609,465 30.929,466 0.937,467 7.929,468 0.24,469 8.296,470 0.251,471 0.078,473 0.313,478 0.869,479 1.495,480 0.65,481 1.175,482 0.718,483 0.992,484 1.196,485 1.01,486 0.794,487 0.846,488 0.915,489 0.843,490 0.866,491 1.131,492 0.837,493 0.989,494 0.71,495 0.942,496 0.913,497 1.033,498 0.956,499 1.021,500 0.88,501 1,502 0.781,503 0.955,504 0.777,505 0.933,506 0.759,507 0.917,508 0.987,509 1.009,510 0.891,511 0.926,512 0.925,513 0.877,514 1.267,515 0.902,516 1.055,517 0.88,518 1.27,519 0.897,520 0.909,521 1.089,522 0.91,523 1.105,524 0.948,525 1.073,526 5,527 0.164,528 3.556,529 1.625,530 1.973,531 0.903,532 0.589,533 0.525,534 0.359,535 0.234,536 17070,537 42988,538 2.168,539 45,540 2,541 15,542 2,543 1,544 1,546 4,547 2,549 1.751,550 2.084,551 3.637,552 -0.322,558 99.992,559 1.667,560 3.53,561 4.744,562 5.236,563 5.328,564 5.328,565 3.112,566 4.62,567 5.01,568 3.875,569 2046.15,570 8.773,571 31030.3,576 354.413,577 1.182,578 4.999,579 0.135,580 0.006,581 0.07,582 0.031,583 0.041,584 0.02,585 0.013,586 0.012,587 0.009,588 0.007,589 0.342,590 0.33,591 0.75,592 0.551,593 176.361,594 -0.045,595 -0.278,596 0.054,597 -0.14,598 0.03,599 -0.031,600 -0.076,601 0.096,602 0.027,603 0.117,604 0.05,605 0.086,606 0.048,607 -0.085,608 0.076,609 -0.006,610 0.17,611 0.033,612 0.055,613 -0.025,614 0.018,615 -0.043,616 0.084,617 -0.024,618 0.156,619 0.016,620 0.164,621 0.047,622 0.199,623 0.075,624 0.028,625 -0.043,626 0.115,627 0.068,628 0.118,629 0.114,630 -0.124,631 0.125,632 -0.035,633 0.08,634 -0.108,635 0.047,636 0.091,637 -0.073,638 -0.011,639 -0.129,640 0.032,641 -0.104,642 1.346,643 2.575,644 0.758,645 40.033,646 1.011,647 1.129,648 2.877,649 8.278,650 0.664,651 3.638,652 3.951,653 4.263,654 4.543,655 4.787,656 4.875,657 5.004,658 5.153,659 5.268,660 5.347,661 7.835,662 0.635,663 471,664 3.638,665 5.176,666 6.038,667 6.917,668 7.796,669 8.683,670 9.57,671 10.461,672 11.352,673 12.247,674 6.7,677 1,682 1,684 2,689 2,690 5,691 2,695 7,697 17,709 1,714 4,715 1,716 60,718 17,719 2,720 37,722 64,723 24,724 14,725 8,726 4,728 5,729 7,730 1,735 3,738 4,740 14,741 10,760 27,761 8,762 1,763 9,764 1,769 4,775 0.6,776 4,788 1,793 1,794 4,797 1,798 1,816 1,819 3,823 1,824 1,827 33,833 9,834 1,835 4,838 1,849 1,850 6.7,855 4,858 15.833,859 11.076,860 7.333,861 3.763,863 3.576,864 1.428,865 0.991,866 7.136,867 11.937,868 3.839,869 4.431,870 5.042,871 5.637,872 6.233,873 6.571,874 6.959,875 7.386,876 7.794,877 8.019,878 0.889,879 53,880 12.206,881 5.175,882 7.594,883 23.688,884 19.535,885 2.094,886 69.111,890 306.049,891 119.381,892 54.706,893 39.149,894 44,897 119.381,898 389.197,899 54.706,900 10.883,901 27.698,902 37.905,903 45.342,904 105.701,905 25.87,906 270.735,907 39.149,908 306.049,909 174.087,910 44,911 39.149,913 235.422,914 114.626,917 59.596,918 80.92,919 72.72,921 306.049,922 98.706,923 158.529,926 306.049,927 61.974,928 60.531,929 18.011,930 116.719,931 306.049,932 98.706,933 158.529,935 0.573,936 0.346,937 0.194,938 0.105,939 25,940 10,941 0.125,942 8,943 2,944 1.16,945 4.504,946 309.932,947 0.16,948 25,949 162.465,954 22.627,955 10.408,956 5.027,957 1.516,958 98.706,959 8.819,960 8.854,964 4.19,966 18.011,967 563.284,968 45.5,980 60.643,981 67.757,983 0.282,984 0.598,985 0.803,986 0.886,987 0.902,988 0.902,989 5.083,990 1.67,991 6.004,992 4.783,993 4.635,994 5.118,995 2.27,996 6.817,997 4.499,998 6.264,999 1.54,1000 7.557,1001 4.492,1002 4.111,1003 4.956,1004 0.325,1005 7.719,1006 3.884,1007 7.57,1008 1.388,1009 9.215,1010 3.384,1011 6.221,1012 7.341,1013 2.43,1014 10.848,1015 5.969,1016 8.917,1017 1.202,1018 10.937,1019 3.127,1020 6.581,1021 8.065,1022 0.268,1023 12.611,1024 6.244,1025 10.303,1026 1.128,1027 12.701,1028 2.689,1029 8.102,1030 9.916,1031 2.86,1032 15.24,1033 7.744,1034 11.715,1035 1,1036 14.493,1037 2.533,1038 8.876,1039 11.04,1040 0.188,1041 17.349,1042 8.445,1043 13.147,1044 0.751,1045 16.305,1046 2.136,1047 10.16,1048 12.681,1049 3.418,1050 19.809,1051 9.702,1052 3.187,1053 0.543,1054 18.132,1055 1.93,1056 11.13,1057 13.995,1058 0.125,1059 22.064,1060 10.61,1061 3.075,1062 10.88,1063 19.97,1064 1.25,1065 12.319,1066 15.547,1067 4.033,1068 24.464,1069 11.764,1070 2.646,1071 10.403,1072 21.817,1073 4.515,1074 13.38,1075 16.951,1076 0.082,1077 26.782,1078 12.769,1079 2.52,1080 8.672,1081 23.671,1082 4.161,1083 14.534,1084 18.465,1085 4.674,1086 29.161,1087 13.884,1088 2.329,1089 7.276,1090 25.531,1091 3.491,1092 15.637,1093 19.913,1094 0.054,1095 31.507,1096 14.935,1097 2.011,1098 6.965,1099 27.396,1100 2.959,1101 16.78,1102 21.413,1103 5.326,1104 33.879,1105 16.034,1106 1.77,1107 6.119,1108 29.265,1109 2.794,1110 17.903,1111 22.883,1112 0.035,1113 36.238,1114 17.108,1115 15762,1116 25451,1117 25.542,1118 39.835,1119 54.574,1120 56.454,1121 55.982,1122 54.888,1123 54.814,1124 68.11,1125 9.686,1126 155.929,1127 50.911,1128 5.589,1129 5.491,1130 6.508,1131 5.221,1132 5.187,1133 7.515,1134 2.783,1135 18.048,1136 5.037,1137 10.792,1138 1.475,1139 1.526,1140 1.513,1141 1.483,1142 1.481,1143 1.841,1144 0.262,1145 4.214,1146 1.376,1147 4.085,1148 4.111,1149 4.091,1150 3.98,1151 5.124,1152 3.995,1153 3.931,1154 3.936,1155 3.983,1156 3.836,1157 5.024,1158 3.845,1159 3.861,1160 3.931,1161 3.726,1162 3.702,1163 4.758,1164 3.697,1165 3.582,1166 3.636,1167 3.495,1168 3.403,1169 4.708,1170 3.403,1171 3.444,1172 3.494,1173 3.482,1174 3.237,1175 4.473,1176 3.261,1177 3.305,1178 3.326,1179 3.315,1180 3.05,1181 4.32,1182 3.081,1183 3.192,1184 3.26,1185 3.061,1186 2.954,1187 4.145,1188 2.968,1189 3.111,1190 3.206,1191 2.929,1192 2.941,1193 4.048,1194 2.91,1195 0.124,1196 0.094,1197 0.181,1198 0.112,1199 0.086,1200 4.589,1201 0.122,1202 3.491,1203 0.038,1204 6.706,1205 0.294,1206 4.137,1207 0.082,1208 3.187,1209 4.515,1210 1.392,1211 10.88,1212 3.037,1213 2.004,1214 1.983,1215 2.067,1216 2.125,1217 1.418,1218 2.104,1219 1.838,1220 1.823,1221 2.047,1222 2.026,1223 1.195,1224 2.042,1225 1.83,1226 1.77,1227 1.884,1228 1.92,1229 1.146,1230 1.915,1231 1.561,1232 1.501,1233 1.829,1234 1.766,1235 1.037,1236 1.787,1237 1.358,1238 1.313,1239 1.593,1240 1.62,1241 0.825,1242 1.606,1243 1.174,1244 1.135,1245 1.513,1246 1.522,1247 0.644,1248 1.489,1249 1.153,1250 1.064,1251 1.444,1252 1.425,1253 0.587,1254 1.432,1255 1.132,1256 1.064,1257 1.412,1258 1.376,1259 0.577,1260 1.429,1261 4.317,1263 5.631,1264 2.398,1265 7.151,1266 4.595,1267 8.77,1268 6.605,1269 10.444,1271 1.63,1272 6.43,1277 9.128,1278 3.285,1279 22.749,1282 2.51,1289 38.094,1290 99.992,1291 211.81,1292 284.639,1293 314.149,1294 319.659,1295 319.659,1296 48.385,1297 8.361,1298 77.97,1299 77.97,1300 29,1301 12.774,1302 4.17,1303 3.248,1304 47.952,1305 154,1306 175,1307 0.15,1308 232.096,1309 402.51,1310 558.073,1311 58878,1312 1.7,1313 22.623,1314 0.686,1315 0.587,1316 23.123,1317 19.359,1318 16.225,1319 0.439,1320 0.314,1321 11.064,1322 15.104,1323 10.835,1324 8.921,1325 16.513,1326 11.635,1327 14.112,1328 0.277,1329 0.167,1330 14.483,1331 8.535,1332 12.461,1333 0.178,1334 0.09,1335 12.819,1336 6.292,1337 10.575,1338 0.114,1339 0.048,1340 10.85,1341 4.469,1342 8.702,1343 0.073,1344 0.026,1345 9.023,1346 3.131,1347 0.239,1348 106.292,1349 0.198,1350 31.002,1351 0.402,1352 176,1353 548.414,1354 212.935,1355 538.69,1356 735.65,1357 510,1358 209,1359 522.068,1360 244.256,1361 532.365,1362 789.14,1363 499,1364 6.456}
{0 CHEMBL1721885,1 1.672,2 13.219,3 1.477,4 2.182,5 119.219,6 7.501,7 0.314,8 4.185,9 4.306,10 3.74,11 3.66,12 5.304,13 3.661,14 4.749,15 4.924,16 4.121,17 4.065,18 5.87,19 4.049,20 4.994,21 5.19,22 4.166,23 4.207,24 6.128,25 4.159,26 5.082,27 5.314,28 4.121,29 4.214,30 6.167,31 4.135,32 5.078,33 5.306,34 4.098,35 4.128,36 6.304,37 4.069,38 5.032,39 5.27,40 4.038,41 4.095,42 6.228,43 4.026,44 4.95,45 5.189,46 4.002,47 4.053,48 6.049,49 3.982,50 4.921,51 5.134,52 3.934,53 3.971,54 6.219,55 3.912,56 0.129,57 0.935,58 12.267,59 5.279,60 17.348,61 6.821,62 0.457,63 1.484,64 24.332,65 8.676,66 43.105,67 11.737,68 0.745,69 1.768,70 32.893,71 11.091,72 76.178,73 14.938,74 0.645,75 1.804,76 36.882,77 12.412,78 78.284,79 17.496,80 0.989,81 1.7,82 38.43,83 11.551,84 138.129,85 16.051,86 0.998,87 1.624,88 36.999,89 11.059,90 136.547,91 15.668,92 0.68,93 1.529,94 33.085,95 10.501,96 72.144,97 15.142,98 0.893,99 1.494,100 32.436,101 9.999,102 129.414,103 13.339,104 37,105 50,106 0.272,107 0.637,108 0.797,109 0.866,110 0.866,111 0.866,112 3.502,113 0.91,114 -2.31,115 -2.34,116 -2.31,118 39,119 2,124 6,126 1,132 1,133 1,138 3,139 3,140 2,148 2,153 2,167 6,171 2,173 2,175 8,178 7,181 1,182 3,184 1,185 1,186 6,188 8,192 4,195 2,196 1,197 3,199 7,204 3,206 2,207 1,208 4,211 5,214 1,215 4,218 1,220 5,223 4,228 3,231 1,232 1,233 5,235 4,239 1,240 3,243 3,244 1,245 2,247 3,251 1,252 3,257 2,260 1,264 1848,265 21.223,266 21.223,267 21.223,268 21.223,269 21.223,270 19.391,271 27.43,272 12.368,273 21.716,274 17.25,275 17.25,276 17.25,277 17.25,278 17.25,279 14.312,280 32.432,281 5.9,282 18.022,283 4.211,284 1.97,285 0.988,286 0.568,287 0.568,288 0.568,289 4.192,293 1,294 1,295 916,296 3.873,299 171.946,300 218.907,303 145.076,307 2.219,308 48.49,311 1,312 1,313 1,314 1,315 1,316 1,317 1,318 1,319 71.5,320 423,321 4.619,322 3.668,323 6.845,324 4.246,325 3.256,326 4.332,327 1.058,328 11.258,329 3.22,330 4.49,331 3.636,332 6.721,333 4.136,334 3.146,335 4.111,336 1.058,337 10.906,338 3.113,339 3.83,340 3.004,341 5.706,342 3.555,343 2.629,344 3.258,345 0.86,346 7.539,347 2.437,348 3.66,349 2.972,350 5.487,351 3.399,352 2.421,353 2.903,354 0.8,355 7.378,356 2.358,357 3.587,358 2.95,359 5.451,360 3.262,361 2.293,362 2.626,364 6.677,365 2.216,366 3.323,367 2.546,368 4.967,369 3.048,370 2.109,371 2.56,373 5.747,374 1.966,375 3.196,376 2.495,377 4.912,378 2.883,379 1.917,380 2.351,382 5.55,383 1.826,384 3.087,385 2.204,386 4.775,387 2.782,388 1.804,389 2.149,391 5.012,392 1.753,393 3.032,394 2.075,395 4.706,396 2.634,397 1.639,398 2.111,400 4.753,401 1.619,402 2.707,403 1.951,404 4.375,405 2.331,406 1.429,407 1.732,409 3.768,410 1.306,411 2.419,412 1.554,413 3.644,414 2.242,415 1.311,416 1.412,417 3.007,418 1.188,419 2.357,420 1.256,421 3.577,422 1.952,423 1,424 1.179,425 2.188,426 0.946,427 2,428 1.19,429 3.247,430 1.799,431 0.819,432 1,433 2.136,434 0.799,435 1.625,436 0.939,437 3.146,438 1.438,439 0.483,440 0.519,441 1.121,442 0.457,443 1.511,444 0.82,445 2.92,446 1.085,447 0.113,448 0.149,449 0.285,450 0.108,451 14.719,452 0.46,453 0.929,454 0.029,455 36.25,456 1.133,457 15,458 0.469,459 21.25,460 0.664,461 31.146,462 0.973,463 36.281,464 0.615,465 30.786,466 0.962,467 7.488,468 0.234,469 7.842,470 0.245,471 0.155,473 0.401,477 1,478 0.768,479 1.261,480 0.784,481 1.135,482 0.625,483 0.986,484 0.859,485 1.071,486 0.836,487 0.962,488 0.593,489 0.899,490 1.034,491 1.034,492 1.058,493 1.015,494 0.954,495 1.035,496 0.774,497 1.001,498 0.944,499 1.111,500 0.819,501 1.074,502 1.077,503 0.887,504 0.994,505 0.936,506 1.208,507 0.949,508 0.972,509 0.899,510 0.956,511 0.883,512 1.028,513 0.906,514 0.772,515 0.885,516 0.855,517 0.976,518 0.761,519 0.943,520 1.213,521 1.039,522 1.15,523 1.063,524 1.377,525 1.096,526 7,527 0.18,528 3.778,529 3.431,530 1.814,531 1.022,532 0.88,533 0.638,534 0.43,535 0.274,536 15023,537 43244,538 2.045,539 45.8,540 3,541 17,544 4,545 3,549 1.743,550 1.882,551 3.644,552 1.601,554 1,558 98.652,559 1.672,560 3.913,561 4.895,562 5.315,563 5.315,564 5.315,565 3.082,566 4.813,567 4.969,568 3.863,569 1916.02,570 8.683,571 28585.6,573 1,576 347.076,577 1.505,578 4.914,579 0.2,580 0.007,581 0.076,582 0.069,583 0.039,584 0.023,585 0.021,586 0.016,587 0.012,588 0.009,589 0.471,590 0.17,591 1,592 0.609,593 169.78,594 -0.086,595 -0.109,596 0.026,597 -0.008,598 -0.065,599 0.031,600 -0.043,601 -0.023,602 0.057,603 0.075,604 0.03,605 0.088,606 -0.095,607 0.002,608 -0.12,609 -0.003,610 -0.069,611 -0.057,612 -0.002,613 -0.071,614 -0.005,615 -0.119,616 0.003,617 -0.071,618 -0.029,619 -0.008,620 0.006,621 0.017,622 -0.032,623 0.015,624 0.022,625 0.023,626 0.041,627 0.076,628 0.027,629 0.068,630 0.049,631 -0.01,632 0.105,633 -0.002,634 0.031,635 0.053,636 -0.06,637 -0.081,638 -0.145,639 -0.1,640 -0.054,641 -0.145,642 2.096,643 5.816,644 0.625,645 36,646 1.014,647 1.138,648 1.078,649 1.163,650 0.643,651 3.584,652 3.932,653 4.205,654 4.489,655 4.644,656 4.663,657 4.82,658 4.934,659 4.942,660 5.011,661 7.755,662 0.621,663 442.54,664 3.584,665 5.142,666 5.999,667 6.891,668 7.767,669 8.663,670 9.55,671 10.449,672 11.342,673 12.245,674 6.8,677 1,681 2,682 1,690 3,692 1,695 7,697 11,704 1,715 1,716 59,718 14,719 1,720 35,722 62,723 23,724 10,725 3,726 3,727 4,728 4,729 5,732 2,738 1,740 14,741 9,744 3,749 2,751 1,753 3,757 1,758 1,760 27,761 8,762 4,763 9,769 4,775 0.75,776 4,778 1,789 1,793 2,794 2,797 1,807 1,811 1,812 1,816 1,817 1,818 1,819 3,823 2,825 1,827 32,832 1,833 6,834 2,835 1,837 1,838 1,849 1,850 6.8,851 1,853 2,854 1,858 17,859 10.96,860 6.944,861 3.472,863 2.828,864 1.362,865 0.959,866 6.767,867 10.638,868 3.795,869 4.366,870 4.917,871 5.478,872 5.914,873 6.203,874 6.615,875 7.018,876 7.292,877 7.613,878 0.889,879 50,880 11.977,881 5.266,882 8,883 22.41,884 18.613,885 2.5,886 80,890 270.735,891 112.706,892 55.931,894 103.973,895 14.96,897 112.706,898 374.708,899 70.891,900 17.65,901 53.629,902 80.588,903 70.699,904 44.53,905 20.474,906 270.735,908 270.735,909 168.637,910 118.933,913 285.695,914 50.29,915 53.683,917 91.189,918 67.972,919 9.476,921 285.695,922 159.904,923 112.706,926 270.735,927 57.15,928 58.68,929 52.807,930 118.933,931 270.735,932 174.865,933 112.706,935 0.59,936 0.345,937 0.19,938 0.1,939 24,940 12,941 0.097,942 6,943 1,944 1.1,945 4.303,946 289.601,947 0.1,948 20,949 156,954 22.679,955 9.549,956 4.968,958 158.079,959 4.132,961 3.144,964 2.994,966 95.49,967 558.306,968 43.5,973 25.206,975 1.632,977 -0.296,980 59.832,981 67.153,983 0.284,984 0.665,985 0.832,986 0.903,987 0.903,988 0.903,989 5.067,990 1.804,991 6.004,992 5.55,993 4.615,994 5.053,995 2.069,996 6.838,997 4.542,998 6.273,999 1.639,1000 7.581,1001 5.012,1002 4.29,1003 4.966,1004 0.325,1005 7.781,1006 4.213,1007 7.589,1008 1.429,1009 9.258,1010 4.753,1011 6.232,1012 7.206,1013 2.025,1014 10.91,1015 6.115,1016 8.94,1017 1.311,1018 10.992,1019 3.768,1020 6.711,1021 7.948,1022 0.268,1023 12.717,1024 6.605,1025 10.326,1026 1,1027 12.766,1028 3.007,1029 8.156,1030 9.709,1031 2.041,1032 15.374,1033 8.018,1034 11.738,1035 0.819,1036 14.568,1037 2.188,1038 9.009,1039 10.833,1040 0.188,1041 17.545,1042 8.884,1043 13.171,1044 0.483,1045 16.392,1046 2.136,1047 10.268,1048 12.41,1049 2.087,1050 20.041,1051 10.122,1052 3.256,1053 0.113,1054 18.234,1055 1.121,1056 11.294,1057 13.711,1058 0.125,1059 22.358,1060 11.155,1061 3.146,1062 11.258,1063 20.09,1064 0.285,1065 12.485,1066 15.212,1067 2.152,1068 24.797,1069 12.332,1070 2.629,1071 10.906,1072 21.957,1073 4.332,1074 13.588,1075 16.593,1076 0.082,1077 27.17,1078 13.436,1079 2.421,1080 7.539,1081 23.834,1082 4.111,1083 14.757,1084 18.064,1085 2.229,1086 29.589,1087 14.595,1088 2.293,1089 7.378,1090 25.719,1091 3.258,1092 15.894,1093 19.481,1094 0.054,1095 31.984,1096 15.728,1097 2.109,1098 6.677,1099 27.609,1100 2.903,1101 17.057,1102 20.94,1103 2.315,1104 34.397,1105 16.883,1106 1.917,1107 5.747,1108 29.505,1109 2.626,1110 18.209,1111 22.374,1112 0.035,1113 36.8,1114 18.029,1115 14279,1116 24393,1117 22.887,1118 37.915,1119 53.6,1120 55.464,1121 55.242,1122 52.785,1123 52.738,1124 64.783,1125 7.553,1126 154.651,1127 50.627,1128 5.619,1129 5.668,1130 6.647,1131 5.349,1132 5.256,1133 7.332,1134 2.117,1135 18.421,1136 5.22,1137 18.061,1138 1.531,1139 1.585,1140 1.578,1141 1.508,1142 1.507,1143 1.851,1144 0.216,1145 4.419,1146 1.446,1147 4.086,1148 4.116,1149 4.051,1150 3.991,1151 8.201,1152 4.002,1153 3.94,1154 3.971,1155 3.904,1156 3.84,1157 7.431,1158 3.85,1159 3.828,1160 3.888,1161 3.711,1162 3.614,1163 7.427,1164 3.629,1165 3.59,1166 3.647,1167 3.481,1168 3.377,1169 6.449,1170 3.392,1171 3.465,1172 3.49,1173 3.409,1174 3.317,1175 4.819,1176 3.329,1177 3.241,1178 3.3,1179 3.157,1180 3.024,1181 4.647,1182 3.008,1183 3.202,1184 3.284,1185 2.989,1186 2.947,1187 4.623,1188 2.985,1189 3.111,1190 3.206,1191 2.879,1192 2.941,1193 4.083,1194 2.91,1195 0.132,1196 0.105,1197 0.196,1198 0.121,1199 0.093,1200 4.619,1201 0.124,1202 3.668,1203 0.03,1204 6.845,1205 0.322,1206 4.246,1207 0.092,1208 3.256,1209 4.332,1210 1.058,1211 11.258,1212 3.22,1213 1.891,1214 1.872,1215 1.97,1216 2.002,1217 1.274,1218 1.995,1219 1.766,1220 1.718,1221 1.966,1222 1.97,1223 1.114,1224 1.97,1225 1.708,1226 1.672,1227 1.852,1228 1.871,1229 1.06,1230 1.861,1231 1.644,1232 1.598,1233 1.794,1234 1.835,1235 0.983,1236 1.823,1237 1.5,1238 1.443,1239 1.75,1240 1.723,1241 0.873,1242 1.734,1243 1.346,1244 1.302,1245 1.545,1246 1.582,1247 0.825,1248 1.56,1249 1.153,1250 1.064,1251 1.513,1252 1.418,1253 0.612,1254 1.429,1255 1.094,1256 1.024,1257 1.382,1258 1.376,1259 0.551,1260 1.409,1261 4.263,1263 5.602,1264 3.045,1265 7.119,1266 5.533,1267 8.718,1268 7.703,1269 10.363,1271 3.56,1273 13.696,1276 10.286,1277 3.421,1278 5.511,1279 5.301,1281 -0.688,1282 2.102,1289 36.65,1290 98.652,1291 230.856,1292 288.811,1293 313.566,1294 313.566,1295 313.566,1296 82.082,1297 7.81,1298 110.45,1299 110.45,1300 22,1301 12.767,1302 3.907,1303 3.248,1304 52.053,1305 148,1306 158,1307 0.169,1308 222.762,1309 399.33,1310 535.299,1311 29143,1312 1.7,1313 22.828,1314 0.713,1315 0.566,1316 21.957,1317 18.127,1318 15.329,1319 0.438,1320 0.303,1321 10.421,1322 14.566,1323 10.17,1324 8.35,1325 14.936,1326 10.617,1327 14.264,1328 0.285,1329 0.163,1330 13.63,1331 8.143,1332 11.755,1333 0.178,1334 0.088,1335 11.413,1336 5.827,1337 10.057,1338 0.114,1339 0.047,1340 9.845,1341 4.152,1342 7.72,1343 0.075,1344 0.025,1345 7.391,1346 2.626,1347 0.27,1348 97.458,1349 0.209,1350 30.254,1351 0.45,1352 170,1353 578.111,1354 191.152,1355 521.376,1356 690.62,1357 486,1358 201,1359 484.825,1360 221.263,1361 482.895,1362 710.76,1363 454,1364 5}
{0 CHEMBL1738764,1 1.641,2 12.556,3 4.401,4 19.372,5 143.132,6 7.416,7 0.462,8 4.323,9 4.438,10 3.994,11 3.847,12 5.36,13 3.804,14 4.887,15 5.066,16 4.282,17 4.22,18 6.048,19 4.171,20 5.122,21 5.322,22 4.342,23 4.4,24 6.18,25 4.328,26 5.216,27 5.433,28 4.392,29 4.484,30 6.211,31 4.384,32 5.302,33 5.53,34 4.47,35 4.558,36 6.318,37 4.453,38 5.37,39 5.589,40 4.467,41 4.58,42 6.365,43 4.459,44 5.448,45 5.709,46 4.38,47 4.472,48 6.529,49 4.347,50 5.276,51 5.544,52 4.171,53 4.271,54 6.354,55 4.166,56 0.096,57 1.044,58 17.77,59 6.797,60 20.471,61 8.542,62 0.486,63 1.654,64 32.296,65 10.964,66 66.638,67 14.279,68 0.555,69 2.025,70 39.795,71 12.835,72 63.399,73 17.629,74 0.445,75 2.2,76 42.845,77 15.194,78 56.119,79 21.459,80 0.64,81 2.396,82 48.259,83 16.395,84 64.417,85 23.154,86 0.533,87 2.524,88 54.228,89 17.7,90 71.376,91 24.375,92 1.1,93 2.434,94 62.389,95 17.444,96 148.813,97 24.65,98 1.074,99 1.977,100 51.232,101 13.827,102 133.143,103 19.869,104 59,105 56,106 0.257,107 0.584,108 0.788,109 0.833,110 0.842,111 0.842,112 3.616,113 1.063,114 -4.16,115 -4.11,116 -3.88,118 37.7,119 3,123 1,124 5,126 1,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 3,171 9,173 2,175 3,178 9,181 1,182 7,186 2,188 4,191 1,192 10,195 2,197 3,199 9,203 2,204 7,206 3,208 1,211 9,214 2,215 9,220 5,223 5,227 4,228 4,231 2,233 6,239 3,240 3,245 1,247 9,251 4,252 2,255 1,256 1,260 6,264 2344,265 23.72,266 23.72,267 23.72,268 23.72,269 23.72,270 21.296,271 41.245,272 13.815,273 24.553,274 19.218,275 19.218,276 19.218,277 19.218,278 19.218,279 15.383,280 70.351,281 6.511,282 20.61,283 4.468,284 2.383,285 1.082,286 0.797,287 0.739,288 0.739,289 4.305,294 1,295 959,296 4.301,300 499.245,307 1.741,308 41.237,311 0.75,312 0.67,313 0.83,314 0.9,315 0.5,316 0.83,317 1,318 0.78,319 78.5,320 452,321 4.814,322 5.181,323 7.125,324 4.213,325 3.338,326 4.676,327 2.95,328 11.744,329 3.019,330 4.435,331 3.425,332 6.839,333 4.131,334 3.186,335 4.007,336 0.86,337 11.293,338 2.928,339 4.163,340 3.156,341 6.168,342 3.787,343 2.855,344 3.738,345 0.8,346 9.182,347 2.616,348 4.041,349 2.864,350 5.831,351 3.633,352 2.683,353 3.613,354 0.8,355 8.097,356 2.553,357 3.721,358 2.761,359 5.555,360 3.438,361 2.492,362 2.986,363 0.765,364 7.465,365 2.34,366 3.541,367 2.593,368 5.212,369 3.188,370 2.229,371 2.81,372 0.4,373 6.477,374 2.141,375 3.394,376 2.438,377 5.128,378 3.079,379 2.105,380 2.632,382 6.093,383 2.034,384 3.074,385 2.296,386 4.746,387 2.767,388 1.822,389 2.216,391 4.94,392 1.716,393 2.935,394 2.164,395 4.513,396 2.601,397 1.668,398 2.069,400 4.462,401 1.551,402 2.83,403 1.812,404 4.316,405 2.394,406 1.439,407 1.887,409 4.009,410 1.37,411 2.736,412 1.498,413 4.205,414 2.355,415 1.373,416 1.806,417 3.607,418 1.339,419 2.643,420 1.423,421 3.513,422 2.113,423 1.172,424 1.705,425 2.624,426 1.1,427 2.199,428 1.256,429 3.49,430 1.952,431 1.048,432 1.173,433 2.585,434 0.946,435 2,436 1.194,437 3.25,438 1.949,439 1,440 1,441 2.136,442 0.935,443 1.767,444 1.121,445 3.247,446 1.521,447 0.593,448 0.67,449 1.103,450 0.542,451 17.167,452 0.477,453 1.107,454 0.031,455 46.25,456 1.285,457 22.5,458 0.625,459 23.75,460 0.66,461 36.106,462 1.003,463 40.433,464 0.586,465 39.971,466 1.11,467 8.785,468 0.244,469 8.366,470 0.232,471 0.175,472 0.049,473 0.309,478 0.749,479 1.507,480 0.869,481 1.279,482 0.777,483 1.053,484 0.978,485 1.085,486 0.969,487 0.991,488 0.649,489 0.886,490 1.176,491 1.081,492 1.037,493 0.93,494 0.969,495 0.973,496 0.729,497 1.143,498 0.828,499 1.028,500 0.799,501 1.056,502 0.628,503 1.079,504 0.901,505 0.985,506 0.566,507 1.003,508 0.885,509 1.286,510 1.135,511 1.257,512 0.857,513 1.205,514 1.064,515 0.979,516 1.031,517 0.954,518 1.168,519 0.949,520 1.314,521 0.76,522 0.901,523 0.689,524 1.381,525 0.775,526 9,527 0.388,528 3.778,529 2.938,530 2.378,531 1.819,532 1.196,533 0.613,534 0.403,535 0.378,536 18087,537 48890,538 2.017,539 47.8,540 3,541 21,543 1,544 2,546 6,549 1.778,550 1.854,551 3.583,552 0.204,558 113.202,559 1.641,560 3.725,561 5.026,562 5.311,563 5.369,564 5.369,565 2.971,566 4.684,567 5.146,568 3.76,569 2368.9,570 9.066,571 37388.2,576 421.488,577 1.637,578 5.076,579 0.231,580 0.01,581 0.067,582 0.05,583 0.04,584 0.028,585 0.02,586 0.012,587 0.009,588 0.009,589 0.475,590 0.33,591 0.75,592 0.902,593 195.022,594 0.019,595 -0.237,596 0.172,597 -0.074,598 -0.154,599 -0.003,600 0.055,601 0.057,602 0.045,603 0.058,604 0.19,605 0.096,606 -0.183,607 0.033,608 -0.113,609 0.035,610 -0.078,611 -0.011,612 0.009,613 -0.092,614 0.024,615 -0.062,616 -0.039,617 -0.052,618 0.092,619 -0.002,620 0.016,621 -0.006,622 0.058,623 -0.008,624 -0.058,625 -0.217,626 -0.128,627 -0.222,628 -0.072,629 -0.207,630 0.026,631 -0.009,632 0.001,633 -0.017,634 0.006,635 -0.002,636 -0.062,637 0.161,638 0.056,639 0.173,640 -0.079,641 0.147,642 4.343,643 5.405,644 0.667,645 36.062,646 1.004,647 1.131,648 2.932,649 8.599,650 0.654,651 3.689,652 4.043,653 4.277,654 4.543,655 4.812,656 4.86,657 4.99,658 5.063,659 5.13,660 5.209,661 7.482,662 0.616,663 511.71,664 3.689,665 5.252,666 6.098,667 6.991,668 7.86,669 8.754,670 9.632,671 10.526,672 11.408,673 12.302,674 7.2,680 1,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 2,716 69,718 20,719 2,720 39,722 72,723 26,724 16,725 6,726 6,728 4,729 4,732 4,738 1,740 16,741 10,744 2,747 1,749 2,760 33,761 9,762 2,763 10,764 1,769 5,775 1,776 4,777 1,788 1,794 4,817 1,818 1,819 4,821 1,823 4,827 36,830 1,832 1,833 5,834 1,835 1,837 1,838 2,850 5.8,851 1,853 2,854 1,858 19.417,859 13.417,860 7.806,861 4.032,863 3.441,864 1.429,865 0.955,866 8.157,867 11.456,868 3.932,869 4.549,870 5.032,871 5.589,872 6.157,873 6.365,874 6.743,875 7.032,876 7.359,877 7.711,878 1,879 59,880 13.539,881 5.909,882 7.808,883 25.575,884 21.046,885 2.308,886 83.083,890 364.904,891 148.908,892 57.83,894 97.996,896 6.046,897 142.862,898 462.9,899 57.83,900 33.666,901 13.396,902 115.063,903 100.655,904 49.499,905 4.227,906 353.133,908 364.904,909 200.693,910 97.996,911 6.046,913 294.278,914 114.94,915 53.683,917 71.953,918 95.168,919 39.617,921 364.904,922 155.827,923 148.908,925 6.046,926 364.904,927 33.815,928 115.296,929 18.011,930 131.567,931 364.904,932 155.827,933 148.908,935 0.589,936 0.335,937 0.18,938 0.108,939 26,940 13,941 0.111,942 8,944 1,945 4.402,946 350.925,948 24,949 176.117,953 1,954 26.364,955 11.138,956 6.363,958 155.827,959 14.577,960 9.143,964 5.5,966 60.694,967 669.639,968 50,971 -3.426,973 24.811,980 69.265,981 78.062,983 0.269,984 0.61,985 0.823,986 0.869,987 0.879,988 0.879,989 5.196,990 1.822,991 6.125,992 6.093,993 4.727,994 5.236,995 3.148,996 6.974,997 4.594,998 6.428,999 1.668,1000 7.716,1001 4.94,1002 4.511,1003 5.293,1004 0.57,1005 8.098,1006 4.264,1007 7.77,1008 1.439,1009 9.415,1010 4.462,1011 6.399,1012 7.497,1013 5.045,1014 11.135,1015 6.111,1016 9.151,1017 1.373,1018 11.178,1019 4.009,1020 6.957,1021 8.338,1022 0.479,1023 13.06,1024 6.533,1025 10.565,1026 1.172,1027 12.985,1028 3.607,1029 8.382,1030 10.103,1031 7.186,1032 15.681,1033 7.911,1034 12.004,1035 1.048,1036 14.821,1037 2.624,1038 9.28,1039 11.293,1040 0.346,1041 17.921,1042 8.673,1043 13.463,1044 1,1045 16.679,1046 2.585,1047 10.536,1048 12.898,1049 9.348,1050 20.414,1051 9.867,1052 3.338,1053 0.593,1054 18.554,1055 2.136,1056 11.587,1057 14.255,1058 0.237,1059 22.778,1060 10.792,1061 3.186,1062 11.744,1063 20.443,1064 1.103,1065 12.783,1066 15.8,1067 11.511,1068 25.233,1069 11.91,1070 2.855,1071 11.293,1072 22.343,1073 4.676,1074 13.903,1075 17.24,1076 0.158,1077 27.645,1078 12.913,1079 2.683,1080 9.182,1081 24.251,1082 4.007,1083 15.081,1084 18.766,1085 13.675,1086 30.092,1087 14.004,1088 2.492,1089 8.097,1090 26.166,1091 3.738,1092 16.233,1093 20.249,1094 0.104,1095 32.524,1096 15.046,1097 2.229,1098 7.465,1099 28.087,1100 3.613,1101 17.408,1102 21.772,1103 15.838,1104 34.969,1105 16.128,1106 2.105,1107 6.477,1108 30.013,1109 2.986,1110 18.576,1111 23.278,1112 0.068,1113 37.411,1114 17.191,1115 17516,1116 29016,1117 25.255,1118 45.154,1119 58.628,1120 61.398,1121 60.266,1122 58.732,1123 58.656,1124 74.743,1125 13.149,1126 173.063,1127 54.871,1128 5.814,1129 7.181,1130 6.927,1131 5.316,1132 5.338,1133 7.676,1134 5.9,1135 18.876,1136 5.019,1137 21.403,1138 1.503,1139 1.574,1140 1.545,1141 1.506,1142 1.504,1143 1.916,1144 0.337,1145 4.438,1146 1.407,1147 4.104,1148 4.105,1149 4.735,1150 4.098,1151 7.716,1152 4.01,1153 3.989,1154 4.013,1155 3.961,1156 3.91,1157 6.999,1158 3.906,1159 3.816,1160 3.851,1161 3.831,1162 3.687,1163 6.457,1164 3.676,1165 3.78,1166 3.811,1167 3.731,1168 3.618,1169 5.018,1170 3.603,1171 3.604,1172 3.659,1173 3.524,1174 3.446,1175 4.711,1176 3.437,1177 3.538,1178 3.577,1179 3.404,1180 3.39,1181 4.692,1182 3.377,1183 3.33,1184 3.389,1185 3.172,1186 3.162,1187 4.56,1188 3.154,1189 3.111,1190 3.206,1191 2.972,1192 2.941,1193 4.229,1194 2.91,1195 0.123,1196 0.133,1197 0.183,1198 0.108,1199 0.086,1200 4.814,1201 0.12,1202 5.181,1203 0.076,1204 7.125,1205 0.301,1206 4.213,1207 0.077,1208 3.338,1209 4.676,1210 2.95,1211 11.744,1212 3.019,1213 1.989,1214 1.996,1215 2.063,1216 2.091,1217 1.277,1218 2.102,1219 1.953,1220 1.925,1221 2.016,1222 2.054,1223 1.238,1224 2.062,1225 1.741,1226 1.698,1227 1.902,1228 1.922,1229 1.141,1230 1.916,1231 1.685,1232 1.655,1233 1.849,1234 1.879,1235 1.076,1236 1.903,1237 1.574,1238 1.515,1239 1.762,1240 1.771,1241 0.832,1242 1.798,1243 1.49,1244 1.463,1245 1.615,1246 1.644,1247 0.825,1248 1.682,1249 1.319,1250 1.26,1251 1.578,1252 1.547,1253 0.758,1254 1.568,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.733,1260 1.429,1261 4.369,1263 5.714,1265 7.248,1267 8.866,1269 10.529,1271 7.376,1276 9.641,1277 2.526,1278 3.207,1279 5.445,1281 0.085,1282 4.2,1289 42.528,1290 113.202,1291 257.04,1292 346.817,1293 366.469,1294 370.469,1295 370.469,1296 79.429,1297 8.015,1298 107.89,1299 116.27,1300 24,1301 12.83,1302 4.392,1303 3.585,1304 61.909,1305 164,1306 154,1307 0.184,1308 265.339,1309 461.13,1310 639.186,1311 35327,1313 25.872,1314 0.719,1315 0.609,1316 26.122,1317 21.917,1318 17.151,1319 0.44,1320 0.354,1321 11.908,1322 15.645,1323 11.311,1324 9.414,1325 18.046,1326 13.822,1327 16.372,1328 0.292,1329 0.2,1330 17.76,1331 11.209,1332 12.625,1333 0.178,1334 0.101,1335 13.355,1336 7.164,1337 10.486,1338 0.113,1339 0.053,1340 10.998,1341 4.901,1342 9.007,1343 0.074,1344 0.03,1345 9.604,1346 3.628,1347 0.288,1348 116.903,1349 0.199,1350 32.602,1351 0.508,1352 190,1353 561.13,1354 242.823,1355 557.476,1356 756.38,1357 518,1358 222,1359 529.102,1360 279.919,1361 568.197,1362 824.36,1363 530,1364 8.427}
{0 CHEMBL1762521,1 1.52,2 11.939,3 4.117,4 16.952,5 131.857,6 7.089,7 0.486,8 4.25,9 4.379,10 3.792,11 3.725,12 5.258,13 3.715,14 4.819,15 5.01,16 4.12,17 4.106,18 5.781,19 4.076,20 5.041,21 5.267,22 4.15,23 4.281,24 5.918,25 4.205,26 5.06,27 5.294,28 4.108,29 4.33,30 5.913,31 4.212,32 5.149,33 5.409,34 4.159,35 4.336,36 5.989,37 4.23,38 5.118,39 5.365,40 4.165,41 4.281,42 5.999,43 4.199,44 5.09,45 5.337,46 4.135,47 4.259,48 5.955,49 4.17,50 5.146,51 5.408,52 4.06,53 4.26,54 5.964,55 4.151,56 0.02,57 0.974,58 14.086,59 5.341,60 8.086,61 7.574,62 0.409,63 1.547,64 27.615,65 8.508,66 30.368,67 12.257,68 0.524,69 1.855,70 35.189,71 10.783,72 35.346,73 16.265,74 0.297,75 1.913,76 34.817,77 13.141,78 31.701,79 19.255,80 0.283,81 1.994,82 39.376,83 13.1,84 39.42,85 20.1,86 0.504,87 1.969,88 38.509,89 11.372,90 42.224,91 17.493,92 0.544,93 1.904,94 37.299,95 11.05,96 37.833,97 17.358,98 0.465,99 1.902,100 40.188,101 12.422,102 39.603,103 18.848,104 2,105 50,106 0.243,107 0.519,108 0.665,109 0.722,110 0.736,111 0.736,112 3.532,113 0.929,114 -4.03,115 -3.98,116 -3.77,118 39.7,123 1,124 8,138 9,140 4,141 1,143 1,146 1,167 4,170 2,171 9,173 2,175 2,178 7,181 2,182 2,188 2,191 2,192 9,195 3,197 2,199 2,204 6,211 2,214 4,215 7,220 2,223 3,227 2,228 4,231 2,233 2,239 2,240 4,245 1,247 5,251 4,260 4,264 2027,265 22.999,266 22.999,267 22.999,268 22.999,269 22.999,270 20.926,271 40.075,272 14.021,273 23.829,274 18.354,275 18.354,276 18.354,277 18.354,278 18.354,279 15.192,280 73.044,281 6.757,282 19.662,283 4.457,284 2.737,285 1.822,286 1.465,287 1.377,288 1.377,289 4.245,294 1,295 872,296 2.828,300 547.584,307 1.71,308 19.832,311 1,312 1,313 1,314 1,315 0.5,316 1,317 1,318 0.93,319 71,320 394,321 4.329,322 3.248,323 6.402,324 3.983,325 3.033,326 3.93,327 0.86,328 9.747,329 2.888,330 4.25,331 3.213,332 6.311,333 3.914,334 2.979,335 3.788,336 0.86,337 9.684,338 2.783,339 3.904,340 3.013,341 6.016,342 3.608,343 2.684,344 3.442,345 0.8,346 8.629,347 2.478,348 3.795,349 2.767,350 5.59,351 3.497,352 2.57,353 2.972,354 0.8,355 7.66,356 2.385,357 3.562,358 2.434,359 5.262,360 3.215,361 2.257,362 2.836,363 0.8,364 6.576,365 2.156,366 3.307,367 2.25,368 4.922,369 2.929,370 1.987,371 2.549,372 0.4,373 5.596,374 1.862,375 2.968,376 2.245,377 4.465,378 2.676,379 1.743,380 2.083,382 4.506,383 1.623,384 2.882,385 2.001,386 4.283,387 2.604,388 1.697,389 1.993,391 4.065,392 1.535,393 2.838,394 1.584,395 3.877,396 2.437,397 1.463,398 1.879,400 3.286,401 1.422,402 2.659,403 1.475,404 3.514,405 2.136,406 1.195,407 1.733,409 2.713,410 1.122,411 2.5,412 1.288,413 3.496,414 2.021,415 1.134,416 1.5,417 2.618,418 1,419 2.238,420 1.256,421 3.472,422 2,423 1,424 1.225,425 2.509,426 0.995,427 2.166,428 1.256,429 3.294,430 1.952,431 1,432 1.132,433 2.136,434 0.946,435 2,436 1.208,437 3.247,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 15.567,452 0.472,453 0.585,454 0.018,455 43.25,456 1.311,457 20,458 0.606,459 23.25,460 0.705,461 28.213,462 0.855,463 36.033,464 0.572,465 33.334,466 1.01,467 8.673,468 0.263,469 7.586,470 0.23,471 0.032,473 0.27,478 0.945,479 1.622,480 0.814,481 1.26,482 0.852,483 1.052,484 1.511,485 1.065,486 1.025,487 0.902,488 1.126,489 0.899,490 1.258,491 1.022,492 1.091,493 0.89,494 1.11,495 0.95,496 0.474,497 1.123,498 0.981,499 1.193,500 0.691,501 1.163,502 0.704,503 1.122,504 0.856,505 1.002,506 0.794,507 0.949,508 1.126,509 1.039,510 1.049,511 0.956,512 1.112,513 0.974,514 0.899,515 1.095,516 1.03,517 0.997,518 0.928,519 1.009,520 1.092,521 0.985,522 1.029,523 0.979,524 1.295,525 0.986,526 5,527 0.214,528 2.667,529 1.875,530 1.129,531 1.042,532 0.647,533 0.281,534 0.185,535 0.252,536 16107,537 37184,538 2.187,539 47.6,541 28,543 1,544 1,549 1.757,550 2.129,551 3.555,552 -0.352,558 95.756,559 1.52,560 3.24,561 4.155,562 4.513,563 4.6,564 4.6,565 2.919,566 4.196,567 5.017,568 3.716,569 1962.1,570 8.81,571 29426.3,573 1,576 376.569,577 1.027,578 5.01,579 0.135,580 0.006,581 0.053,582 0.037,583 0.024,584 0.02,585 0.013,586 0.006,587 0.004,588 0.006,589 0.305,590 0.33,591 0.88,592 0.306,593 174.603,594 -0.009,595 -0.381,596 0.093,597 -0.171,598 0.01,599 -0.047,600 -0.129,601 0.072,602 -0.026,603 0.069,604 -0.002,605 0.034,606 -0.147,607 0.059,608 -0.106,609 0.079,610 -0.129,611 0.004,612 0.113,613 -0.07,614 -0.058,615 -0.154,616 0.051,617 -0.14,618 0.01,619 -0.121,620 0.103,621 -0.008,622 0.064,623 0.053,624 -0.077,625 0.023,626 -0.055,627 -0.019,628 -0.082,629 -0.031,630 0.063,631 -0.031,632 -0.046,633 -0.052,634 0.037,635 -0.058,636 -0.076,637 0.003,638 -0.034,639 -0.025,640 -0.14,641 -0.02,642 1.095,643 2.057,644 0.909,645 33.987,646 0.998,647 1.133,648 2.801,649 7.848,650 0.652,651 3.638,652 3.932,653 4.205,654 4.466,655 4.718,656 4.745,657 4.942,658 5.069,659 5.198,660 5.303,661 7.228,662 0.617,663 446.61,664 3.638,665 5.165,666 6.009,667 6.872,668 7.731,669 8.601,670 9.466,671 10.34,672 11.208,673 12.084,674 9.5,680 2,682 2,684 2,690 10,691 2,695 6,697 18,709 1,711 3,716 63,718 18,719 2,720 37,722 67,723 25,724 16,725 4,726 8,728 5,729 5,740 16,741 9,760 30,761 8,762 1,763 8,769 6,775 1,776 2,788 1,794 5,818 2,819 5,823 1,827 33,833 8,834 1,835 2,838 3,850 3.2,854 2,858 15.5,859 11.417,860 7.278,861 3.781,863 3.238,864 1.405,865 0.997,866 7.026,867 11.231,868 3.85,869 4.376,870 4.903,871 5.449,872 5.979,873 6.139,874 6.539,875 6.906,876 7.247,877 7.597,878 0.875,879 51,880 12.188,881 5.074,882 7.485,883 23.935,884 19.572,885 1.985,886 65.5,890 341.362,891 144.776,892 60.955,894 22,897 144.776,898 363.362,899 60.955,900 8.396,901 26.792,902 85.286,903 67.342,904 47.458,905 4.227,906 329.591,908 341.362,909 205.731,910 22,913 341.362,915 22,917 58.874,918 113.286,919 33.571,921 341.362,922 82.955,923 144.776,926 341.362,927 42.046,928 112.103,929 18.011,930 55.571,931 341.362,932 82.955,933 144.776,935 0.57,936 0.332,937 0.185,938 0.104,939 24,940 9,941 0.09,942 6,944 1,945 4.478,946 311.135,948 30,949 138.465,954 22.109,955 10.488,956 5.449,958 82.955,959 20.511,960 9.244,964 5.814,966 18.011,967 569.093,968 46,980 62.869,981 71.391,983 0.254,984 0.542,985 0.695,986 0.755,987 0.77,988 0.77,989 5.078,990 1.697,991 5.958,992 4.506,993 4.615,994 5.063,995 1.968,996 6.727,997 4.487,998 6.228,999 1.463,1000 7.482,1001 4.065,1002 4.007,1003 4.605,1004 0.766,1005 7.503,1006 3.806,1007 7.496,1008 1.195,1009 9.107,1010 3.286,1011 6.159,1012 7.123,1013 1.531,1014 10.623,1015 5.908,1016 8.797,1017 1.134,1018 10.794,1019 2.713,1020 6.415,1021 7.491,1022 0.653,1023 12.247,1024 6.088,1025 10.133,1026 1,1027 12.523,1028 2.618,1029 7.98,1030 9.465,1031 1.235,1032 14.84,1033 7.609,1034 11.492,1035 1,1036 14.279,1037 2.509,1038 8.653,1039 10.241,1040 0.482,1041 16.812,1042 8.208,1043 12.868,1044 1,1045 16.055,1046 2.136,1047 9.953,1048 11.95,1049 0.995,1050 19.208,1051 9.464,1052 3.033,1053 1,1054 17.844,1055 2.136,1056 10.837,1057 12.953,1058 0.337,1059 21.335,1060 10.279,1061 2.979,1062 9.747,1063 19.644,1064 2.136,1065 12.016,1066 14.517,1067 0.792,1068 23.652,1069 11.412,1070 2.684,1071 9.684,1072 21.451,1073 3.93,1074 13.004,1075 15.654,1076 0.229,1077 25.851,1078 12.336,1079 2.57,1080 8.629,1081 23.264,1082 3.788,1083 14.131,1084 17.133,1085 0.621,1086 28.136,1087 13.414,1088 2.257,1089 7.66,1090 25.082,1091 3.442,1092 15.171,1093 18.352,1094 0.153,1095 30.369,1096 14.394,1097 1.987,1098 6.576,1099 26.904,1100 2.972,1101 16.275,1102 19.78,1103 0.48,1104 32.642,1105 15.449,1106 1.743,1107 5.596,1108 28.729,1109 2.836,1110 17.342,1111 21.051,1112 0.1,1113 34.892,1114 16.459,1115 14880,1116 22753,1117 25.83,1118 41.08,1119 55.062,1120 55.323,1121 55.279,1122 54.882,1123 54.839,1124 67.823,1125 9.04,1126 151.325,1127 51.343,1128 5.329,1129 5.248,1130 6.204,1131 5.087,1132 5.033,1133 6.93,1134 1.72,1135 16.552,1136 4.888,1137 7.507,1138 1.488,1139 1.495,1140 1.494,1141 1.483,1142 1.482,1143 1.833,1144 0.244,1145 4.09,1146 1.388,1147 4.023,1148 4.069,1149 3.972,1150 3.904,1151 5.024,1152 3.913,1153 3.924,1154 3.966,1155 3.867,1156 3.833,1157 4.76,1158 3.834,1159 3.776,1160 3.827,1161 3.718,1162 3.618,1163 4.745,1164 3.639,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.619,1172 3.663,1173 3.504,1174 3.437,1175 4.55,1176 3.445,1177 3.281,1178 3.375,1179 3.146,1180 3.049,1181 4.135,1182 3.058,1183 3.111,1184 3.206,1185 2.947,1186 2.941,1187 3.996,1188 2.91,1189 3.111,1190 3.206,1191 2.866,1192 2.941,1193 3.896,1194 2.91,1195 0.117,1196 0.088,1197 0.173,1198 0.108,1199 0.082,1200 4.329,1201 0.106,1202 3.248,1203 0.023,1204 6.402,1205 0.263,1206 3.983,1207 0.078,1208 3.033,1209 3.93,1210 0.86,1211 9.747,1212 2.888,1213 1.942,1214 1.907,1215 2.045,1216 2.089,1217 1.27,1218 2.078,1219 1.904,1220 1.87,1221 2.022,1222 2.028,1223 1.19,1224 2.025,1225 1.716,1226 1.666,1227 1.905,1228 1.933,1229 1.095,1230 1.927,1231 1.683,1232 1.624,1233 1.838,1234 1.897,1235 0.993,1236 1.886,1237 1.574,1238 1.525,1239 1.773,1240 1.767,1241 0.825,1242 1.772,1243 1.249,1244 1.155,1245 1.573,1246 1.519,1247 0.825,1248 1.541,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.818,1254 1.429,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.601,1260 1.429,1261 4.317,1263 5.617,1265 7.122,1267 8.712,1269 10.344,1271 2.011,1277 6.561,1278 3.445,1279 11.114,1282 6.8,1289 38.88,1290 95.756,1291 204.109,1292 261.775,1293 284.304,1294 289.814,1295 289.814,1296 39.443,1297 7.993,1298 65.99,1299 65.99,1300 30,1301 12.625,1302 4.248,1303 3.322,1304 47.616,1305 141,1306 149,1307 0.159,1308 236.024,1309 406.38,1310 567.658,1311 34389,1313 22.46,1314 0.681,1315 0.575,1316 22.46,1317 18.983,1318 16.259,1319 0.439,1320 0.31,1321 11.241,1322 15.47,1323 11.019,1324 9.054,1325 16.259,1326 11.455,1327 14.175,1328 0.284,1329 0.164,1330 14.175,1331 8.195,1332 12.138,1333 0.184,1334 0.092,1335 12.138,1336 6.039,1337 10.248,1338 0.119,1339 0.049,1340 10.248,1341 4.185,1342 8.566,1343 0.077,1344 0.026,1345 8.566,1346 2.853,1347 0.249,1348 102.597,1349 0.197,1350 30.613,1351 0.437,1352 174,1353 476.029,1354 193.051,1355 452.975,1356 633.94,1357 432,1358 203,1359 472.611,1360 222.858,1361 475.941,1362 697.84,1363 449,1364 7.423}
{0 CHEMBL1762522,1 1.503,2 12,3 4.604,4 21.192,5 136.898,6 6.979,7 0.474,8 4.29,9 4.421,10 3.818,11 3.767,12 5.29,13 3.752,14 4.863,15 5.06,16 4.153,17 4.151,18 5.809,19 4.118,20 5.078,21 5.299,22 4.203,23 4.336,24 5.958,25 4.261,26 5.132,27 5.367,28 4.167,29 4.403,30 5.98,31 4.284,32 5.228,33 5.487,34 4.206,35 4.415,36 6.062,37 4.299,38 5.215,39 5.476,40 4.204,41 4.349,42 6.069,43 4.256,44 5.141,45 5.388,46 4.178,47 4.311,48 6.004,49 4.217,50 5.199,51 5.466,52 4.087,53 4.298,54 6.016,55 4.187,56 0.03,57 1.012,58 15.015,59 5.666,60 8.514,61 8.108,62 0.422,63 1.609,64 29.243,65 9.056,66 30.676,67 13.193,68 0.514,69 1.943,70 36.525,71 11.401,72 35.532,73 17.243,74 0.336,75 2.055,76 37.733,77 14.057,78 33.358,79 20.72,80 0.287,81 2.15,82 42.567,83 14.434,84 42.062,85 22.136,86 0.567,87 2.118,88 43.048,89 12.566,90 47.14,91 19.629,92 0.539,93 2.002,94 39.346,95 11.806,96 39.071,97 18.626,98 0.525,99 1.999,100 42.647,101 12.659,102 42.766,103 19.567,104 5,105 52,106 0.238,107 0.525,108 0.694,109 0.747,110 0.758,111 0.758,112 3.561,113 0.937,114 -4.24,115 -4.18,116 -3.94,118 39.4,119 1,123 1,124 8,138 8,139 1,140 4,141 1,143 1,146 1,167 5,170 2,171 9,173 2,175 2,178 8,181 2,182 3,188 4,191 2,192 9,195 3,197 2,199 3,204 7,211 3,214 4,215 7,220 2,223 3,227 2,228 5,231 2,233 3,239 2,240 4,245 1,247 5,251 4,260 6,264 2152,265 23.499,266 23.499,267 23.499,268 23.499,269 23.499,270 21.374,271 40.669,272 14.179,273 24.326,274 18.821,275 18.821,276 18.821,277 18.821,278 18.821,279 15.579,280 72.541,281 6.801,282 20.124,283 4.541,284 2.737,285 1.671,286 1.337,287 1.265,288 1.265,289 4.272,294 1,295 899,296 2.915,300 564.324,307 1.706,308 20.612,311 1,312 0.83,313 1,314 1,315 1,316 1,317 1,318 0.98,319 73,320 408,321 4.36,322 3.299,323 6.581,324 4.019,325 3.073,326 3.944,327 0.86,328 10.293,329 2.915,330 4.312,331 3.24,332 6.311,333 3.974,334 3.021,335 3.897,336 0.86,337 9.701,338 2.884,339 4.015,340 3.013,341 6.016,342 3.608,343 2.684,344 3.612,345 0.8,346 8.629,347 2.478,348 3.795,349 2.808,350 5.749,351 3.578,352 2.642,353 2.972,354 0.8,355 7.938,356 2.473,357 3.603,358 2.557,359 5.455,360 3.299,361 2.349,362 2.86,363 0.8,364 7.073,365 2.223,366 3.341,367 2.358,368 5.017,369 2.993,370 2.061,371 2.569,372 0.4,373 5.898,374 1.913,375 2.97,376 2.25,377 4.487,378 2.69,379 1.758,380 2.086,382 4.542,383 1.634,384 2.887,385 2.085,386 4.364,387 2.604,388 1.697,389 2.013,391 4.065,392 1.535,393 2.843,394 1.649,395 4.283,396 2.442,397 1.475,398 1.968,400 3.963,401 1.423,402 2.838,403 1.512,404 3.66,405 2.414,406 1.414,407 1.879,409 3.006,410 1.414,411 2.655,412 1.465,413 3.54,414 2.131,415 1.19,416 1.727,417 2.715,418 1.118,419 2.238,420 1.288,421 3.509,422 2.021,423 1.134,424 1.225,425 2.63,426 0.995,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2.031,436 1.256,437 3.398,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.204,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 16.067,452 0.473,453 0.674,454 0.02,455 43.75,456 1.287,457 20,458 0.588,459 23.75,460 0.699,461 30.847,462 0.907,463 37.333,464 0.566,465 34.266,466 1.008,467 8.729,468 0.257,469 7.94,470 0.234,471 0.062,473 0.293,478 0.943,479 1.619,480 0.832,481 1.267,482 0.876,483 1.067,484 1.49,485 1.038,486 0.992,487 0.874,488 1.097,489 0.87,490 1.25,491 1.069,492 1.093,493 0.929,494 1.106,495 0.976,496 0.52,497 1.111,498 1.008,499 1.178,500 0.714,501 1.16,502 0.677,503 1.172,504 0.889,505 1.065,506 0.796,507 1.007,508 1.106,509 0.97,510 1.007,511 0.89,512 1.137,513 0.915,514 0.873,515 1.157,516 1.022,517 1.04,518 0.899,519 1.035,520 1.183,521 0.955,522 1.062,523 0.94,524 1.403,525 0.966,526 5.5,527 0.231,528 3.111,529 2.188,530 1.4,531 1.097,532 0.709,533 0.309,534 0.235,535 0.252,536 17232,537 38881,538 2.163,539 48.5,540 3,541 27,543 1,544 1,549 1.764,550 2.082,551 3.56,552 -0.363,558 99.209,559 1.503,560 3.307,561 4.374,562 4.707,563 4.779,564 4.779,565 2.903,566 4.22,567 5.061,568 3.734,569 2094.94,570 8.897,571 32109.9,576 398.93,577 1.166,578 5.043,579 0.145,580 0.007,581 0.06,582 0.041,583 0.027,584 0.021,585 0.014,586 0.006,587 0.005,588 0.006,589 0.331,590 0.17,591 0.75,592 0.39,593 181.542,594 -0.002,595 -0.368,596 0.092,597 -0.164,598 -0.001,599 -0.045,600 -0.107,601 0.097,602 0.016,603 0.105,604 0.026,605 0.075,606 -0.136,607 0.03,608 -0.107,609 0.054,610 -0.123,611 -0.013,612 0.086,613 -0.043,614 -0.08,615 -0.141,616 0.028,617 -0.138,618 0.017,619 -0.166,620 0.066,621 -0.062,622 0.056,623 -0.001,624 -0.064,625 0.071,626 -0.005,627 0.04,628 -0.079,629 0.029,630 0.084,631 -0.09,632 -0.038,633 -0.087,634 0.067,635 -0.077,636 -0.111,637 0.048,638 -0.057,639 -0.004,640 -0.189,641 -0.016,642 1.093,643 2.065,644 0.882,645 35.176,646 0.996,647 1.133,648 3.006,649 9.035,650 0.649,651 3.664,652 3.97,653 4.248,654 4.511,655 4.754,656 4.779,657 4.97,658 5.1,659 5.236,660 5.328,661 7.352,662 0.612,663 460.64,664 3.664,665 5.198,666 6.047,667 6.917,668 7.779,669 8.655,670 9.523,671 10.401,672 11.273,673 12.153,674 9.1,680 2,682 2,684 2,690 9,691 2,695 7,697 18,709 1,711 3,716 66,718 18,719 2,720 38,722 70,723 26,724 16,725 5,726 7,728 5,729 5,732 1,740 16,741 10,760 32,761 8,762 1,763 8,769 6,775 1,776 2,788 1,794 5,818 2,819 5,823 2,827 34,833 8,834 1,835 2,838 3,850 3,854 2,858 16.333,859 12.333,860 7.472,861 3.982,863 3.322,864 1.411,865 0.993,866 7.258,867 11.4,868 3.871,869 4.413,870 4.947,871 5.49,872 6.016,873 6.185,874 6.57,875 6.939,876 7.291,877 7.626,878 0.875,879 54,880 12.563,881 5.223,882 7.475,883 24.71,884 20.22,885 1.975,886 67.167,890 364.904,891 147.311,892 60.955,894 22,897 147.311,898 386.904,899 60.955,900 17.222,901 26.792,902 75.81,903 67.342,904 50.644,905 4.227,906 353.133,908 364.904,909 208.266,910 22,913 364.904,915 22,917 67.699,918 106.995,919 33.571,921 364.904,922 82.955,923 147.311,926 364.904,927 45.232,928 111.452,929 18.011,930 55.571,931 364.904,932 82.955,933 147.311,935 0.574,936 0.338,937 0.188,938 0.103,939 25,940 10,941 0.086,942 6,944 1,945 4.508,946 325.613,948 30,949 146.974,954 23.06,955 10.702,956 5.527,958 82.955,959 18.658,960 9.308,964 7.073,966 18.011,967 595.17,968 47,980 65.752,981 74.806,983 0.249,984 0.547,985 0.724,986 0.779,987 0.791,988 0.791,989 5.109,990 1.697,991 6.009,992 4.542,993 4.654,994 5.1,995 1.968,996 6.795,997 4.531,998 6.271,999 1.475,1000 7.546,1001 4.065,1002 4.111,1003 4.732,1004 0.766,1005 7.615,1006 3.931,1007 7.55,1008 1.414,1009 9.185,1010 3.963,1011 6.217,1012 7.186,1013 1.531,1014 10.736,1015 5.981,1016 8.862,1017 1.19,1018 10.886,1019 3.006,1020 6.524,1021 7.64,1022 0.653,1023 12.398,1024 6.231,1025 10.209,1026 1.134,1027 12.628,1028 2.715,1029 8.06,1030 9.562,1031 1.235,1032 15.005,1033 7.717,1034 11.579,1035 1,1036 14.397,1037 2.63,1038 8.773,1039 10.414,1040 0.482,1041 17.015,1042 8.376,1043 12.968,1044 1,1045 16.185,1046 2.509,1047 10.06,1048 12.086,1049 0.995,1050 19.433,1051 9.615,1052 3.073,1053 1,1054 17.987,1055 2.136,1056 10.972,1057 13.151,1058 0.337,1059 21.598,1060 10.476,1061 3.021,1062 10.293,1063 19.8,1064 2.136,1065 12.15,1066 14.69,1067 0.792,1068 23.945,1069 11.606,1070 2.684,1071 9.701,1072 21.621,1073 3.944,1074 13.159,1075 15.876,1076 0.229,1077 26.182,1078 12.565,1079 2.642,1080 8.629,1081 23.449,1082 3.897,1083 14.29,1084 17.34,1085 0.621,1086 28.502,1087 13.65,1088 2.349,1089 7.938,1090 25.282,1091 3.612,1092 15.348,1093 18.596,1094 0.153,1095 30.775,1096 14.658,1097 2.061,1098 7.073,1099 27.119,1100 2.972,1101 16.461,1102 20.017,1103 0.48,1104 33.087,1105 15.724,1106 1.758,1107 5.898,1108 28.961,1109 2.86,1110 17.542,1111 21.315,1112 0.1,1113 35.378,1114 16.757,1115 15993,1116 24174,1117 26.235,1118 42.841,1119 56.642,1120 56.984,1121 57.506,1122 56.431,1123 56.434,1124 69.601,1125 9.04,1126 157.982,1127 52.942,1128 5.36,1129 5.299,1130 6.383,1131 5.123,1132 5.073,1133 6.944,1134 1.72,1135 17.394,1136 4.915,1137 11.001,1138 1.491,1139 1.5,1140 1.513,1141 1.485,1142 1.485,1143 1.832,1144 0.238,1145 4.157,1146 1.393,1147 4.028,1148 4.073,1149 3.977,1150 3.912,1151 5.023,1152 3.921,1153 3.94,1154 3.978,1155 3.884,1156 3.855,1157 4.758,1158 3.857,1159 3.785,1160 3.837,1161 3.731,1162 3.622,1163 4.737,1164 3.645,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.62,1172 3.664,1173 3.504,1174 3.437,1175 4.55,1176 3.445,1177 3.281,1178 3.376,1179 3.146,1180 3.056,1181 4.135,1182 3.061,1183 3.168,1184 3.256,1185 2.965,1186 3.011,1187 3.996,1188 2.99,1189 3.111,1190 3.206,1191 2.94,1192 2.941,1193 3.896,1194 2.91,1195 0.115,1196 0.087,1197 0.173,1198 0.106,1199 0.081,1200 4.36,1201 0.104,1202 3.299,1203 0.023,1204 6.581,1205 0.271,1206 4.019,1207 0.077,1208 3.073,1209 3.944,1210 0.86,1211 10.293,1212 2.915,1213 1.945,1214 1.911,1215 2.051,1216 2.09,1217 1.27,1218 2.079,1219 1.924,1220 1.893,1221 2.039,1222 2.04,1223 1.19,1224 2.04,1225 1.721,1226 1.67,1227 1.905,1228 1.933,1229 1.16,1230 1.927,1231 1.683,1232 1.624,1233 1.841,1234 1.908,1235 0.993,1236 1.894,1237 1.574,1238 1.525,1239 1.775,1240 1.768,1241 0.829,1242 1.773,1243 1.249,1244 1.158,1245 1.576,1246 1.521,1247 0.825,1248 1.543,1249 1.206,1250 1.122,1251 1.551,1252 1.418,1253 0.825,1254 1.469,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.61,1260 1.429,1261 4.344,1263 5.652,1265 7.166,1267 8.766,1269 10.408,1271 4.139,1277 6.556,1278 3.46,1279 11.13,1282 6.842,1289 40.406,1290 99.209,1291 218.293,1292 288.665,1293 310.665,1294 315.42,1295 315.42,1296 42.346,1297 8.078,1298 65.99,1299 65.99,1300 30,1301 12.691,1302 4.248,1303 3.322,1304 49.788,1305 149,1306 144,1307 0.158,1308 245.616,1309 423.68,1310 591.063,1311 38408,1313 23.33,1314 0.686,1315 0.585,1316 23.33,1317 19.906,1318 16.67,1319 0.439,1320 0.312,1321 11.658,1322 15.883,1323 11.366,1324 9.365,1325 16.67,1326 11.872,1327 14.703,1328 0.283,1329 0.166,1330 14.703,1331 8.646,1332 12.597,1333 0.183,1334 0.092,1335 12.597,1336 6.372,1337 10.678,1338 0.119,1339 0.05,1340 10.678,1341 4.464,1342 8.776,1343 0.076,1344 0.026,1345 8.776,1346 2.966,1347 0.248,1348 105.061,1349 0.195,1350 31.326,1351 0.435,1352 180,1353 484.029,1354 199.051,1355 461.605,1356 647.01,1357 440,1358 211,1359 483.611,1360 231.025,1361 488.317,1362 716.41,1363 460,1364 7.553}
{0 CHEMBL1762523,1 1.503,2 12.029,3 4.604,4 21.192,5 136.898,6 6.979,7 0.474,8 4.29,9 4.421,10 3.818,11 3.767,12 5.289,13 3.752,14 4.863,15 5.06,16 4.153,17 4.151,18 5.811,19 4.118,20 5.078,21 5.299,22 4.188,23 4.334,24 5.96,25 4.256,26 5.128,27 5.368,28 4.15,29 4.386,30 5.967,31 4.263,32 5.199,33 5.461,34 4.196,35 4.384,36 6.03,37 4.277,38 5.168,39 5.413,40 4.207,41 4.34,42 6.048,43 4.252,44 5.174,45 5.432,46 4.175,47 4.323,48 6.021,49 4.225,50 5.194,51 5.456,52 4.106,53 4.311,54 6.013,55 4.198,56 0.03,57 1.012,58 15.015,59 5.666,60 8.403,61 8.108,62 0.422,63 1.609,64 29.243,65 9.056,66 30.783,67 13.193,68 0.519,69 1.938,70 36.531,71 11.422,72 36.258,73 17.251,74 0.313,75 2.026,76 37.66,77 14.176,78 33.813,79 20.894,80 0.32,81 2.094,82 41.579,83 13.633,84 40.292,85 21.081,86 0.5,87 2.074,88 40.486,89 12.198,90 43.457,91 18.805,92 0.6,93 2.037,94 41.103,95 12.029,96 41.828,97 19.122,98 0.457,99 1.999,100 42.092,101 13.16,102 40.1,103 20.07,104 5,105 52,106 0.238,107 0.525,108 0.699,109 0.752,110 0.758,111 0.758,112 3.561,113 0.937,114 -4.24,115 -4.18,116 -3.94,118 39.4,119 1,123 1,124 8,138 8,139 1,140 4,141 1,143 1,146 1,167 5,170 2,171 9,173 2,175 2,178 9,181 2,182 2,188 3,191 2,192 10,195 3,197 2,199 3,204 6,211 2,214 4,215 8,220 2,223 4,227 2,228 4,231 2,233 2,239 2,240 5,245 2,247 5,251 4,260 4,264 2172,265 23.447,266 23.447,267 23.447,268 23.447,269 23.447,270 21.349,271 42.5,272 14.143,273 24.277,274 18.837,275 18.837,276 18.837,277 18.837,278 18.837,279 15.602,280 76.432,281 6.813,282 20.144,283 4.541,284 2.737,285 1.64,286 1.307,287 1.265,288 1.265,289 4.272,294 1,295 901,296 2.915,300 566.653,307 1.737,308 20.665,311 1,312 0.83,313 1,314 1,315 1,316 1,317 1,318 0.98,319 73,320 409,321 4.331,322 3.25,323 6.412,324 3.985,325 3.036,326 3.932,327 0.86,328 9.787,329 2.889,330 4.271,331 3.223,332 6.311,333 3.934,334 2.993,335 3.826,336 0.86,337 9.693,338 2.818,339 3.979,340 3.013,341 6.016,342 3.608,343 2.684,344 3.574,345 0.8,346 8.629,347 2.478,348 3.795,349 2.782,350 5.606,351 3.546,352 2.605,353 2.972,354 0.8,355 7.709,356 2.46,357 3.637,358 2.564,359 5.339,360 3.325,361 2.365,362 2.91,363 0.8,364 6.83,365 2.255,366 3.418,367 2.388,368 5.023,369 3.072,370 2.127,371 2.666,372 0.4,373 5.979,374 2.005,375 3.132,376 2.25,377 4.75,378 2.777,379 1.829,380 2.347,382 5.085,383 1.73,384 2.943,385 2.152,386 4.461,387 2.614,388 1.697,389 2.008,391 4.484,392 1.569,393 2.838,394 1.859,395 4.283,396 2.604,397 1.67,398 1.879,400 4.065,401 1.535,402 2.707,403 1.528,404 3.68,405 2.236,406 1.261,407 1.798,409 2.795,410 1.229,411 2.638,412 1.311,413 3.511,414 2.121,415 1.164,416 1.703,417 2.696,418 1.111,419 2.238,420 1.288,421 3.482,422 2.021,423 1.133,424 1.225,425 2.566,426 0.995,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2,436 1.256,437 3.402,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.178,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 16.067,452 0.473,453 0.691,454 0.02,455 43.75,456 1.287,457 20,458 0.588,459 23.75,460 0.699,461 30.652,462 0.902,463 37.333,464 0.566,465 34.217,466 1.006,467 8.714,468 0.256,469 7.939,470 0.234,471 0.062,473 0.293,478 0.943,479 1.619,480 0.832,481 1.267,482 0.88,483 1.067,484 1.49,485 1.038,486 0.992,487 0.874,488 1.081,489 0.87,490 1.261,491 1.061,492 1.119,493 0.94,494 1.147,495 0.995,496 0.456,497 1.135,498 0.962,499 1.188,500 0.68,501 1.151,502 0.748,503 1.102,504 0.875,505 0.981,506 0.809,507 0.94,508 1.106,509 1.095,510 1.064,511 1.01,512 1.102,513 1.018,514 0.909,515 1.036,516 1.006,517 0.941,518 0.984,519 0.962,520 1.066,521 1.049,522 1.022,523 1.021,524 1.26,525 1.011,526 6,527 0.214,528 2.889,529 2.063,530 1.32,531 1.153,532 0.687,533 0.335,534 0.206,535 0.292,536 17356,537 39069,538 2.163,539 48.5,540 3,541 27,543 1,544 1,549 1.764,550 2.082,551 3.577,552 -0.363,558 99.209,559 1.503,560 3.307,561 4.404,562 4.737,563 4.779,564 4.779,565 2.929,566 4.22,567 5.06,568 3.754,569 2105.8,570 8.895,571 32342.6,576 398.93,577 1.166,578 5.043,579 0.158,580 0.006,581 0.056,582 0.039,583 0.026,584 0.022,585 0.013,586 0.007,587 0.004,588 0.007,589 0.338,590 0.17,591 0.75,592 0.39,593 181.778,594 -0.002,595 -0.368,596 0.092,597 -0.164,598 -0.006,599 -0.045,600 -0.107,601 0.097,602 0.016,603 0.105,604 0.043,605 0.075,606 -0.147,607 0.039,608 -0.134,609 0.043,610 -0.156,611 -0.032,612 0.125,613 -0.088,614 -0.034,615 -0.147,616 0.063,617 -0.123,618 -0.008,619 -0.088,620 0.087,621 0.007,622 0.051,623 0.056,624 -0.065,625 -0.024,626 -0.072,627 -0.061,628 -0.072,629 -0.067,630 0.06,631 0.016,632 -0.014,633 -0.003,634 0.018,635 -0.011,636 -0.056,637 -0.054,638 -0.03,639 -0.06,640 -0.108,641 -0.042,642 1.093,643 2.064,644 0.882,645 35.765,646 0.996,647 1.133,648 3.006,649 9.035,650 0.649,651 3.664,652 3.97,653 4.234,654 4.5,655 4.754,656 4.787,657 4.97,658 5.1,659 5.226,660 5.342,661 7.417,662 0.612,663 460.64,664 3.664,665 5.198,666 6.043,667 6.911,668 7.769,669 8.643,670 9.508,671 10.385,672 11.253,673 12.131,674 9.1,680 2,682 2,684 2,690 9,691 2,695 7,697 18,709 1,711 3,716 66,718 18,719 2,720 38,722 70,723 26,724 16,725 5,726 7,728 5,729 5,732 1,740 16,741 10,760 32,761 8,762 1,763 8,769 6,775 1,776 2,788 1,794 5,818 2,819 5,823 2,827 34,833 8,834 1,835 2,838 3,850 3,854 2,858 16.333,859 12.333,860 7.444,861 3.975,863 3.291,864 1.407,865 0.993,866 7.258,867 11.369,868 3.871,869 4.413,870 4.936,871 5.487,872 6.016,873 6.196,874 6.568,875 6.94,876 7.282,877 7.649,878 0.875,879 53,880 12.563,881 5.223,882 7.475,883 24.71,884 20.215,885 1.975,886 67.167,890 364.904,891 147.311,892 60.955,894 22,897 147.311,898 386.904,899 60.955,900 17.222,901 26.792,902 75.81,903 67.342,904 50.644,905 4.227,906 353.133,908 364.904,909 208.266,910 22,913 364.904,915 22,917 67.699,918 106.995,919 33.571,921 364.904,922 82.955,923 147.311,926 364.904,927 45.232,928 111.452,929 18.011,930 55.571,931 364.904,932 82.955,933 147.311,935 0.575,936 0.332,937 0.184,938 0.104,939 25,940 10,941 0.086,942 6,944 1,945 4.525,946 324.421,948 30,949 146.974,954 23.06,955 10.702,956 5.697,958 82.955,959 18.736,960 9.291,964 7.053,966 18.011,967 595.17,968 47,980 65.752,981 74.806,983 0.249,984 0.547,985 0.729,986 0.784,987 0.791,988 0.791,989 5.109,990 1.697,991 6.004,992 5.085,993 4.654,994 5.1,995 1.968,996 6.779,997 4.531,998 6.271,999 1.67,1000 7.533,1001 4.484,1002 4.111,1003 4.732,1004 0.766,1005 7.561,1006 3.931,1007 7.548,1008 1.261,1009 9.161,1010 4.065,1011 6.209,1012 7.179,1013 1.531,1014 10.671,1015 5.972,1016 8.856,1017 1.164,1018 10.849,1019 2.795,1020 6.494,1021 7.607,1022 0.653,1023 12.283,1024 6.195,1025 10.197,1026 1.133,1027 12.575,1028 2.696,1029 8.031,1030 9.535,1031 1.235,1032 14.878,1033 7.682,1034 11.559,1035 1,1036 14.328,1037 2.566,1038 8.717,1039 10.352,1040 0.482,1041 16.841,1042 8.306,1043 12.938,1044 1,1045 16.099,1046 2.509,1047 10.004,1048 12.032,1049 0.995,1050 19.24,1051 9.544,1052 3.036,1053 1,1054 17.884,1055 2.136,1056 10.892,1057 13.065,1058 0.337,1059 21.363,1060 10.371,1061 2.993,1062 9.787,1063 19.68,1064 2.136,1065 12.065,1066 14.609,1067 0.792,1068 23.682,1069 11.495,1070 2.684,1071 9.693,1072 21.484,1073 3.932,1074 13.055,1075 15.767,1076 0.229,1077 25.881,1078 12.427,1079 2.605,1080 8.629,1081 23.294,1082 3.826,1083 14.179,1084 17.234,1085 0.621,1086 28.168,1087 13.501,1088 2.365,1089 7.709,1090 25.11,1091 3.574,1092 15.22,1093 18.468,1094 0.153,1095 30.402,1096 14.485,1097 2.127,1098 6.83,1099 26.93,1100 2.972,1101 16.323,1102 19.888,1103 0.48,1104 32.678,1105 15.539,1106 1.829,1107 5.979,1108 28.754,1109 2.91,1110 17.391,1111 21.168,1112 0.1,1113 34.929,1114 16.551,1115 16108,1116 24321,1117 26.235,1118 42.841,1119 56.676,1120 57.068,1121 57.315,1122 56.485,1123 56.498,1124 69.657,1125 9.04,1126 157.685,1127 53.002,1128 5.331,1129 5.25,1130 6.214,1131 5.088,1132 5.036,1133 6.932,1134 1.72,1135 16.639,1136 4.889,1137 11.156,1138 1.491,1139 1.502,1140 1.508,1141 1.486,1142 1.487,1143 1.833,1144 0.238,1145 4.15,1146 1.395,1147 4.027,1148 4.072,1149 3.975,1150 3.911,1151 5.024,1152 3.92,1153 3.938,1154 3.977,1155 3.881,1156 3.854,1157 4.758,1158 3.855,1159 3.788,1160 3.84,1161 3.734,1162 3.625,1163 4.736,1164 3.648,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.62,1172 3.665,1173 3.504,1174 3.437,1175 4.549,1176 3.446,1177 3.314,1178 3.404,1179 3.178,1180 3.103,1181 4.145,1182 3.105,1183 3.124,1184 3.213,1185 2.963,1186 2.955,1187 3.996,1188 2.94,1189 3.111,1190 3.206,1191 2.901,1192 2.941,1193 3.896,1194 2.91,1195 0.114,1196 0.086,1197 0.169,1198 0.105,1199 0.08,1200 4.331,1201 0.103,1202 3.25,1203 0.023,1204 6.412,1205 0.258,1206 3.985,1207 0.076,1208 3.036,1209 3.932,1210 0.86,1211 9.787,1212 2.889,1213 1.945,1214 1.91,1215 2.05,1216 2.09,1217 1.27,1218 2.078,1219 1.923,1220 1.892,1221 2.039,1222 2.038,1223 1.19,1224 2.039,1225 1.724,1226 1.674,1227 1.905,1228 1.933,1229 1.152,1230 1.927,1231 1.683,1232 1.624,1233 1.844,1234 1.91,1235 0.993,1236 1.897,1237 1.575,1238 1.525,1239 1.777,1240 1.77,1241 0.844,1242 1.774,1243 1.288,1244 1.202,1245 1.595,1246 1.544,1247 0.825,1248 1.566,1249 1.153,1250 1.065,1251 1.513,1252 1.377,1253 0.825,1254 1.429,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.629,1260 1.429,1261 4.344,1263 5.652,1265 7.162,1267 8.755,1269 10.39,1271 4.119,1277 6.557,1278 3.456,1279 11.128,1282 6.825,1289 40.406,1290 99.209,1291 218.293,1292 290.665,1293 312.665,1294 315.42,1295 315.42,1296 42.134,1297 8.078,1298 65.99,1299 65.99,1300 30,1301 12.671,1302 4.248,1303 3.322,1304 49.801,1305 150,1306 146,1307 0.157,1308 245.616,1309 423.68,1310 591.063,1311 38408,1313 23.33,1314 0.686,1315 0.585,1316 23.33,1317 19.906,1318 16.653,1319 0.438,1320 0.312,1321 11.652,1322 15.864,1323 11.356,1324 9.362,1325 16.653,1326 11.866,1327 14.809,1328 0.285,1329 0.167,1330 14.809,1331 8.698,1332 12.465,1333 0.183,1334 0.092,1335 12.465,1336 6.285,1337 10.546,1338 0.118,1339 0.049,1340 10.546,1341 4.37,1342 8.814,1343 0.077,1344 0.026,1345 8.814,1346 3,1347 0.247,1348 104.96,1349 0.195,1350 31.373,1351 0.431,1352 180,1353 484.029,1354 199.051,1355 461.896,1356 646.51,1357 440,1358 210,1359 482.611,1360 229.858,1361 487.795,1362 714.26,1363 459,1364 7.553}
{0 CHEMBL1762524,1 1.62,2 12.029,3 4.782,4 22.865,5 136.662,6 7.636,7 0.474,8 4.255,9 4.379,10 3.855,11 3.745,12 5.277,13 3.735,14 4.824,15 5.01,16 4.209,17 4.133,18 5.813,19 4.104,20 5.049,21 5.265,22 4.243,23 4.313,24 5.96,25 4.236,26 5.066,27 5.293,28 4.209,29 4.353,30 5.951,31 4.237,32 5.154,33 5.408,34 4.248,35 4.362,36 6.018,37 4.257,38 5.128,39 5.364,40 4.267,41 4.313,42 6.055,43 4.23,44 5.096,45 5.336,46 4.226,47 4.288,48 5.986,49 4.199,50 5.152,51 5.407,52 4.173,53 4.28,54 6.013,55 4.174,56 0.027,57 0.964,58 13.064,59 5.369,60 7.653,61 7.309,62 0.434,63 1.534,64 27.277,65 8.742,66 31.694,67 11.969,68 0.585,69 1.835,70 37.223,71 11.278,72 38.453,73 16.088,74 0.36,75 1.895,76 36.198,77 13.397,78 34.224,79 19.165,80 0.34,81 1.981,82 41.332,83 13.677,84 41.115,85 20.17,86 0.61,87 1.948,88 42.086,89 11.973,90 49.274,91 17.444,92 0.584,93 1.892,94 38.604,95 11.562,96 40.021,97 17.283,98 0.586,99 1.889,100 42.801,101 12.85,102 48.657,103 18.851,104 5,105 52,106 0.259,107 0.542,108 0.694,109 0.75,110 0.757,111 0.757,112 3.561,113 0.942,114 -4.24,115 -4.18,116 -3.94,118 39.7,123 1,124 8,138 8,140 5,141 1,143 1,146 1,167 2,170 2,171 9,173 2,175 2,178 8,181 2,182 1,188 2,191 2,192 10,195 3,197 2,199 3,204 5,211 1,214 4,215 8,220 2,223 4,227 2,228 3,231 2,233 1,239 2,240 5,245 2,247 5,251 4,260 2,264 2172,265 23.447,266 23.447,267 23.447,268 23.447,269 23.447,270 21.349,271 41.676,272 14.143,273 24.413,274 18.837,275 18.837,276 18.837,277 18.837,278 18.837,279 15.602,280 74.951,281 6.813,282 20.411,283 4.357,284 2.591,285 1.643,286 1.294,287 1.25,288 1.25,289 4.272,290 1,294 1,295 901,296 2.915,300 566.653,307 1.737,308 23.266,311 1,312 0.83,313 1,314 1,315 0.5,316 1,317 1,318 0.9,319 73.333,320 409,321 4.331,322 3.257,323 6.412,324 3.984,325 3.036,326 3.932,327 0.86,328 9.787,329 2.888,330 4.271,331 3.233,332 6.311,333 3.929,334 2.993,335 3.826,336 0.86,337 9.693,338 2.793,339 3.979,340 3.013,341 6.016,342 3.608,343 2.684,344 3.574,345 0.8,346 8.629,347 2.478,348 3.795,349 2.892,350 5.606,351 3.529,352 2.605,353 2.972,354 0.8,355 7.709,356 2.401,357 3.637,358 2.734,359 5.339,360 3.29,361 2.365,362 2.91,363 0.8,364 6.83,365 2.183,366 3.418,367 2.412,368 5.023,369 3.039,370 2.127,371 2.666,372 0.4,373 5.979,374 1.911,375 3.132,376 2.25,377 4.75,378 2.753,379 1.829,380 2.347,382 5.085,383 1.662,384 2.943,385 2.184,386 4.461,387 2.604,388 1.697,389 2.008,391 4.484,392 1.535,393 2.838,394 1.905,395 4.283,396 2.598,397 1.67,398 1.879,400 4.065,401 1.522,402 2.707,403 1.533,404 3.68,405 2.217,406 1.261,407 1.798,409 2.795,410 1.18,411 2.638,412 1.342,413 3.511,414 2.119,415 1.164,416 1.703,417 2.696,418 1.105,419 2.238,420 1.288,421 3.482,422 2.021,423 1.133,424 1.225,425 2.566,426 0.995,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2,436 1.256,437 3.402,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.185,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 16.281,452 0.479,453 0.691,454 0.02,455 44,456 1.294,457 20,458 0.588,459 24,460 0.706,461 30.541,462 0.898,463 37.119,464 0.589,465 34.328,466 1.01,467 8.746,468 0.257,469 7.907,470 0.233,471 0.075,473 0.289,478 0.885,479 1.621,480 0.673,481 1.174,482 0.761,483 1.008,484 1.388,485 1.058,486 0.838,487 0.829,488 0.951,489 0.851,490 1.233,491 1.02,492 1.038,493 0.879,494 1.075,495 0.947,496 0.464,497 1.129,498 0.856,499 1.163,500 0.655,501 1.15,502 0.695,503 1.121,504 0.761,505 0.958,506 0.739,507 0.929,508 1.107,509 1.047,510 1.057,511 0.986,512 1.07,513 0.997,514 0.873,515 1.093,516 0.901,517 0.954,518 0.865,519 0.988,520 0.967,521 0.999,522 0.875,523 0.978,524 1.076,525 0.984,526 6,527 0.214,528 2.889,529 2.063,530 1.32,531 1.153,532 0.687,533 0.335,534 0.206,535 0.292,536 17356,537 45063,538 2.163,539 46,541 27,543 1,544 1,549 1.764,550 2.082,551 3.577,552 -0.334,558 102.081,559 1.62,560 3.386,561 4.334,562 4.683,563 4.727,564 4.727,565 2.929,566 4.22,567 5.06,568 3.754,569 2105.8,570 8.895,571 32342.6,576 376.569,577 1.166,578 5.043,579 0.158,580 0.006,581 0.056,582 0.039,583 0.026,584 0.022,585 0.013,586 0.007,587 0.004,588 0.007,589 0.338,590 0.17,591 0.75,592 0.39,593 181.778,594 -0.028,595 -0.381,596 0.057,597 -0.158,598 -0.014,599 -0.047,600 -0.14,601 0.081,602 0.001,603 0.105,604 0.027,605 0.06,606 -0.172,607 0.062,608 -0.116,609 0.074,610 -0.137,611 -0.004,612 0.131,613 -0.076,614 -0.028,615 -0.158,616 0.057,617 -0.141,618 0.005,619 -0.117,620 0.094,621 0.014,622 0.056,623 0.068,624 -0.081,625 0.016,626 -0.088,627 -0.052,628 -0.065,629 -0.059,630 0.035,631 -0.025,632 -0.029,633 -0.028,634 0.02,635 -0.044,636 -0.01,637 -0.007,638 0.01,639 -0.039,640 -0.04,641 -0.021,642 1.126,643 2.066,644 0.882,645 35.765,646 1.003,647 1.132,648 3.006,649 9.035,650 0.666,651 3.664,652 3.97,653 4.234,654 4.5,655 4.754,656 4.787,657 4.97,658 5.1,659 5.226,660 5.342,661 7.417,662 0.63,663 481.05,664 3.664,665 5.198,666 6.043,667 6.911,668 7.769,669 8.643,670 9.508,671 10.385,672 11.253,673 12.131,674 9.5,680 2,682 2,684 2,690 9,691 2,695 7,697 18,709 1,711 3,715 1,716 63,718 18,719 2,720 38,722 67,723 25,724 16,725 5,726 7,728 5,729 5,730 1,740 16,741 9,760 29,761 8,762 1,763 9,764 1,769 6,775 1,776 2,788 1,794 5,818 2,819 5,823 1,824 1,827 34,833 8,834 1,835 2,838 3,849 1,850 3.2,854 2,858 16.333,859 11.476,860 7.444,861 3.761,863 3.291,864 1.407,865 0.996,866 7.472,867 11.369,868 3.871,869 4.413,870 4.936,871 5.487,872 6.016,873 6.196,874 6.568,875 6.94,876 7.282,877 7.649,878 0.875,879 53,880 12.546,881 5.243,882 7.538,883 24.496,884 20.049,885 2.038,886 69.278,890 329.591,891 138.801,892 60.955,893 39.149,894 22,897 138.801,898 390.739,899 60.955,900 8.396,901 26.792,902 75.81,903 67.342,904 50.959,905 4.227,906 317.82,907 39.149,908 329.591,909 199.755,910 22,911 39.149,913 329.591,915 22,917 58.874,918 107.311,919 72.72,921 329.591,922 82.955,923 177.949,926 329.591,927 45.547,928 102.627,929 18.011,930 94.719,931 329.591,932 82.955,933 177.949,935 0.575,936 0.332,937 0.184,938 0.104,939 25,940 10,941 0.09,942 6,944 1,945 4.525,946 324.421,948 30,949 148.974,954 23.332,955 10.888,956 5.816,958 82.955,959 17.927,960 9.222,964 6.251,966 18.011,967 590.495,968 47,980 63.192,981 71.335,983 0.271,984 0.567,985 0.725,986 0.784,987 0.791,988 0.791,989 5.109,990 1.697,991 6.004,992 5.085,993 4.654,994 5.1,995 1.968,996 6.779,997 4.505,998 6.271,999 1.67,1000 7.533,1001 4.484,1002 4.111,1003 4.732,1004 0.766,1005 7.561,1006 3.858,1007 7.548,1008 1.261,1009 9.161,1010 4.065,1011 6.209,1012 7.179,1013 1.531,1014 10.671,1015 5.929,1016 8.856,1017 1.164,1018 10.849,1019 2.795,1020 6.494,1021 7.607,1022 0.653,1023 12.283,1024 6.122,1025 10.197,1026 1.133,1027 12.575,1028 2.696,1029 8.031,1030 9.535,1031 1.235,1032 14.878,1033 7.629,1034 11.559,1035 1,1036 14.328,1037 2.566,1038 8.717,1039 10.352,1040 0.482,1041 16.841,1042 8.235,1043 12.938,1044 1,1045 16.099,1046 2.509,1047 10.004,1048 12.032,1049 0.995,1050 19.24,1051 9.484,1052 3.036,1053 1,1054 17.884,1055 2.136,1056 10.892,1057 13.065,1058 0.337,1059 21.363,1060 10.302,1061 2.993,1062 9.787,1063 19.68,1064 2.136,1065 12.065,1066 14.609,1067 0.792,1068 23.682,1069 11.432,1070 2.684,1071 9.693,1072 21.484,1073 3.932,1074 13.055,1075 15.767,1076 0.229,1077 25.881,1078 12.358,1079 2.605,1080 8.629,1081 23.294,1082 3.826,1083 14.179,1084 17.234,1085 0.621,1086 28.168,1087 13.434,1088 2.365,1089 7.709,1090 25.11,1091 3.574,1092 15.22,1093 18.468,1094 0.153,1095 30.402,1096 14.416,1097 2.127,1098 6.83,1099 26.93,1100 2.972,1101 16.323,1102 19.888,1103 0.48,1104 32.678,1105 15.47,1106 1.829,1107 5.979,1108 28.754,1109 2.91,1110 17.391,1111 21.168,1112 0.1,1113 34.929,1114 16.481,1115 16108,1116 26121,1117 26.235,1118 41.938,1119 56.676,1120 57.213,1121 57.315,1122 56.716,1123 56.498,1124 69.657,1125 9.04,1126 157.685,1127 52.16,1128 5.331,1129 5.257,1130 6.214,1131 5.088,1132 5.036,1133 6.932,1134 1.72,1135 16.639,1136 4.888,1137 11.156,1138 1.491,1139 1.506,1140 1.508,1141 1.493,1142 1.487,1143 1.833,1144 0.238,1145 4.15,1146 1.373,1147 4.024,1148 4.069,1149 4.023,1150 3.907,1151 5.033,1152 3.916,1153 3.928,1154 3.965,1155 3.941,1156 3.845,1157 4.922,1158 3.844,1159 3.778,1160 3.826,1161 3.776,1162 3.621,1163 4.757,1164 3.643,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.62,1172 3.663,1173 3.51,1174 3.437,1175 4.552,1176 3.446,1177 3.284,1178 3.374,1179 3.356,1180 3.056,1181 4.366,1182 3.065,1183 3.111,1184 3.206,1185 3.072,1186 2.941,1187 4.08,1188 2.91,1189 3.111,1190 3.206,1191 2.94,1192 2.941,1193 3.996,1194 2.91,1195 0.114,1196 0.086,1197 0.169,1198 0.105,1199 0.08,1200 4.331,1201 0.103,1202 3.257,1203 0.023,1204 6.412,1205 0.258,1206 3.984,1207 0.076,1208 3.036,1209 3.932,1210 0.86,1211 9.787,1212 2.888,1213 1.942,1214 1.907,1215 2.044,1216 2.089,1217 1.27,1218 2.077,1219 1.899,1220 1.871,1221 1.991,1222 2.021,1223 1.19,1224 2.015,1225 1.715,1226 1.667,1227 1.905,1228 1.933,1229 1.094,1230 1.927,1231 1.683,1232 1.624,1233 1.832,1234 1.888,1235 0.993,1236 1.879,1237 1.574,1238 1.525,1239 1.77,1240 1.766,1241 0.825,1242 1.77,1243 1.247,1244 1.155,1245 1.57,1246 1.515,1247 0.825,1248 1.538,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.816,1254 1.429,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.6,1260 1.429,1261 4.344,1263 5.652,1265 7.162,1267 8.755,1269 10.39,1271 1.966,1272 6.177,1277 6.476,1278 3.43,1279 11.112,1282 6.716,1289 39.707,1290 102.081,1291 213.329,1292 273.059,1293 295.059,1294 297.814,1295 297.814,1296 43.589,1297 8.078,1298 65.99,1299 65.99,1300 30,1301 12.671,1302 4.248,1303 3.322,1304 49.801,1305 150,1306 146,1307 0.157,1308 244.357,1309 421.59,1310 587.99,1311 38408,1312 1.6,1313 23.33,1314 0.686,1315 0.589,1316 23.83,1317 20.039,1318 16.653,1319 0.438,1320 0.314,1321 11.371,1322 15.555,1323 11.113,1324 9.104,1325 16.942,1326 11.933,1327 14.809,1328 0.285,1329 0.169,1330 15.217,1331 8.776,1332 12.465,1333 0.183,1334 0.093,1335 12.727,1336 6.326,1337 10.546,1338 0.118,1339 0.049,1340 10.8,1341 4.402,1342 8.814,1343 0.077,1344 0.026,1345 9.039,1346 3.026,1347 0.247,1348 108.136,1349 0.195,1350 31.373,1351 0.431,1352 180,1353 510.233,1354 214.57,1355 515.132,1356 705.31,1357 488,1358 210,1359 499.474,1360 239.617,1361 512.588,1362 751.4,1363 483,1364 7.921}
{0 CHEMBL1762525,1 1.552,2 12.686,3 4.101,4 16.817,5 138.32,6 7.114,7 0.462,8 4.313,9 4.438,10 3.854,11 3.764,12 5.336,13 3.762,14 4.883,15 5.073,16 4.18,17 4.14,18 5.855,19 4.121,20 5.081,21 5.295,22 4.225,23 4.326,24 5.984,25 4.262,26 5.125,27 5.351,28 4.194,29 4.396,30 6.002,31 4.284,32 5.233,33 5.493,34 4.24,35 4.403,36 6.075,37 4.301,38 5.197,39 5.437,40 4.25,41 4.346,42 6.099,43 4.271,44 5.175,45 5.418,46 4.22,47 4.336,48 6.052,49 4.25,50 5.247,51 5.513,52 4.154,53 4.337,54 6.082,55 4.228,56 0.017,57 1.018,58 15.027,59 5.69,60 9.384,61 8.001,62 0.484,63 1.596,64 29.798,65 8.928,66 35.253,67 12.781,68 0.57,69 1.916,70 36.513,71 11.167,72 38.001,73 16.682,74 0.357,75 2.023,76 37.1,77 14.064,78 35.711,79 20.46,80 0.336,81 2.126,82 43.068,83 14.111,84 43.476,85 21.718,86 0.645,87 2.085,88 41.859,89 12.035,90 49.924,91 18.509,92 0.578,93 2.038,94 40.602,95 12.066,96 42.288,97 18.915,98 0.643,99 2.047,100 44.923,101 13.54,102 51.082,103 20.799,104 6,105 53,106 0.245,107 0.533,108 0.704,109 0.756,110 0.762,111 0.762,112 3.589,113 0.921,114 -3.5,115 -3.47,116 -3.32,118 38.8,123 2,124 8,138 8,140 5,141 1,143 1,146 1,167 2,170 2,171 11,173 2,175 2,178 6,181 2,182 2,188 1,191 3,192 10,195 3,197 2,199 2,204 5,211 1,214 5,215 8,220 2,223 3,227 2,228 3,231 2,233 1,239 3,240 4,243 1,245 1,247 5,251 4,260 2,264 2332,265 24.317,266 24.317,267 24.317,268 24.317,269 24.317,270 22.272,271 44.388,272 14.646,273 25.326,274 19.265,275 19.265,276 19.265,277 19.265,278 19.265,279 16.025,280 79.401,281 6.959,282 20.76,283 4.515,284 2.696,285 1.616,286 1.288,287 1.246,288 1.246,289 4.299,294 1,295 975,296 3.082,300 586.557,307 1.902,308 23.138,311 1,312 0.67,313 1,314 1,315 1,316 1,317 1,318 0.95,319 76,320 444,321 4.332,322 3.253,323 6.414,324 3.985,325 3.036,326 3.932,327 0.86,328 9.798,329 2.888,330 4.275,331 3.228,332 6.311,333 3.935,334 2.996,335 3.832,336 0.86,337 9.694,338 2.811,339 3.995,340 3.013,341 6.016,342 3.608,343 2.684,344 3.588,345 0.86,346 8.629,347 2.478,348 3.795,349 2.837,350 5.619,351 3.555,352 2.621,353 2.972,354 0.8,355 7.751,356 2.445,357 3.657,358 2.716,359 5.412,360 3.341,361 2.407,362 2.926,363 0.8,364 7.076,365 2.244,366 3.438,367 2.411,368 5.118,369 3.086,370 2.154,371 2.685,372 0.8,373 6.212,374 1.999,375 3.156,376 2.25,377 4.848,378 2.791,379 1.853,380 2.373,381 0.4,382 5.309,383 1.731,384 2.944,385 2.186,386 4.463,387 2.622,388 1.697,389 2.009,391 4.492,392 1.571,393 2.838,394 1.914,395 4.283,396 2.604,397 1.688,398 1.879,400 4.065,401 1.535,402 2.72,403 1.538,404 3.71,405 2.252,406 1.284,407 1.814,409 2.832,410 1.24,411 2.642,412 1.379,413 3.512,414 2.123,415 1.172,416 1.708,417 2.7,418 1.111,419 2.238,420 1.288,421 3.489,422 2.021,423 1.133,424 1.225,425 2.58,426 0.995,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2,436 1.256,437 3.402,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.194,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 16.4,452 0.469,453 0.653,454 0.019,455 45.25,456 1.293,457 20.5,458 0.586,459 24.75,460 0.707,461 31.045,462 0.887,463 38.8,464 0.579,465 36.408,466 1.04,467 9.158,468 0.262,469 8.033,470 0.23,471 0.061,473 0.287,478 0.94,479 1.66,480 0.81,481 1.31,482 0.85,483 1.076,484 1.517,485 1.024,486 1.004,487 0.85,488 1.141,489 0.847,490 1.229,491 1.043,492 1.093,493 0.905,494 1.096,495 0.958,496 0.469,497 1.16,498 0.985,499 1.232,500 0.695,501 1.2,502 0.676,503 1.136,504 0.84,505 1.011,506 0.749,507 0.951,508 1.119,509 1.032,510 1.073,511 0.951,512 1.08,513 0.983,514 0.842,515 1.137,516 1.021,517 1.038,518 0.896,519 1.038,520 0.926,521 0.95,522 0.982,523 0.943,524 1.156,525 0.958,526 6,527 0.214,528 2.889,529 2.063,530 1.36,531 1.271,532 0.687,533 0.335,534 0.218,535 0.308,536 18757,537 45182,538 2.158,539 47.8,541 30,543 1,544 1,549 1.771,550 2.079,551 3.638,552 -0.345,558 103.952,559 1.552,560 3.37,561 4.45,562 4.779,563 4.82,564 4.82,565 3.047,566 4.365,567 5.102,568 3.807,569 2265.37,570 8.977,571 35601.5,576 406.428,577 1.15,578 5.086,579 0.154,580 0.006,581 0.055,582 0.038,583 0.026,584 0.023,585 0.013,586 0.006,587 0.005,588 0.007,589 0.332,590 0.33,591 0.75,592 0.529,593 189.144,594 -0.02,595 -0.402,596 0.093,597 -0.197,598 0.008,599 -0.058,600 -0.164,601 0.104,602 0.001,603 0.125,604 -0.006,605 0.089,606 -0.163,607 0.062,608 -0.117,609 0.08,610 -0.132,611 0.003,612 0.122,613 -0.084,614 -0.072,615 -0.175,616 0.034,617 -0.165,618 0.012,619 -0.13,620 0.112,621 -0.012,622 0.066,623 0.057,624 -0.083,625 0.043,626 -0.081,627 -0.012,628 -0.07,629 -0.041,630 0.038,631 -0.066,632 -0.05,633 -0.08,634 0.024,635 -0.075,636 0.004,637 0.037,638 0.009,639 0.008,640 -0.061,641 0.011,642 1.121,643 2.063,644 0.857,645 38.096,646 1.001,647 1.135,648 2.267,649 5.139,650 0.646,651 3.689,652 3.989,653 4.263,654 4.522,655 4.779,656 4.82,657 5.004,658 5.124,659 5.252,660 5.366,661 7.643,662 0.614,663 476.64,664 3.689,665 5.22,666 6.066,667 6.932,668 7.793,669 8.665,670 9.532,671 10.408,672 11.277,673 12.155,674 9,680 2,682 2,684 2,690 9,691 2,695 7,697 18,709 1,711 3,714 1,716 67,718 18,719 2,720 39,722 71,723 26,724 16,725 5,726 7,728 5,729 5,740 16,741 10,760 32,761 9,762 1,763 9,769 6,775 1,776 3,788 1,794 5,818 2,819 5,823 2,827 35,833 8,834 1,835 3,838 3,850 4.5,854 2,855 1,858 16.833,859 12.5,860 7.778,861 3.933,863 3.334,864 1.409,865 0.984,866 7.762,867 11.491,868 3.892,869 4.425,870 4.958,871 5.506,872 6.037,873 6.225,874 6.606,875 6.96,876 7.306,877 7.673,878 1,879 55,880 12.916,881 5.348,882 7.519,883 25.244,884 20.459,885 2.019,886 70.667,890 364.904,891 151.427,892 60.955,894 33,897 151.427,898 397.904,899 60.955,900 19.279,901 26.792,902 75.81,903 67.342,904 63.701,905 4.227,906 353.133,908 364.904,909 212.381,910 33,913 364.904,914 11,915 22,917 58.874,918 119.936,919 33.571,921 364.904,922 93.954,923 151.427,926 364.904,927 47.29,928 113.51,929 18.011,930 66.571,931 364.904,932 93.954,933 151.427,935 0.57,936 0.336,937 0.185,938 0.105,939 25,940 10,941 0.099,942 7,944 1,945 4.6,946 336.388,948 30,949 155.525,954 23.976,955 11.331,956 5.916,958 93.954,959 18.161,960 9.268,964 6.415,966 18.011,967 610.285,968 48,980 67.08,981 76.016,983 0.256,984 0.556,985 0.734,986 0.788,987 0.795,988 0.795,989 5.127,990 1.697,991 6.023,992 5.309,993 4.673,994 5.112,995 2.156,996 6.799,997 4.536,998 6.284,999 1.688,1000 7.553,1001 4.492,1002 4.111,1003 4.732,1004 0.766,1005 7.588,1006 3.907,1007 7.56,1008 1.284,1009 9.182,1010 4.065,1011 6.229,1012 7.19,1013 1.743,1014 10.694,1015 5.969,1016 8.868,1017 1.172,1018 10.87,1019 2.832,1020 6.509,1021 7.618,1022 0.653,1023 12.309,1024 6.179,1025 10.21,1026 1.133,1027 12.597,1028 2.7,1029 8.051,1030 9.546,1031 1.446,1032 14.898,1033 7.673,1034 11.573,1035 1,1036 14.35,1037 2.58,1038 8.735,1039 10.366,1040 0.482,1041 16.861,1042 8.29,1043 12.953,1044 1,1045 16.121,1046 2.509,1047 10.023,1048 12.044,1049 1.195,1050 19.256,1051 9.531,1052 3.036,1053 1,1054 17.906,1055 2.136,1056 10.91,1057 13.08,1058 0.337,1059 21.379,1060 10.354,1061 2.996,1062 9.798,1063 19.701,1064 2.136,1065 12.083,1066 14.623,1067 0.975,1068 23.696,1069 11.48,1070 2.684,1071 9.694,1072 21.504,1073 3.932,1074 13.073,1075 15.783,1076 0.229,1077 25.894,1078 12.409,1079 2.621,1080 8.629,1081 23.313,1082 3.832,1083 14.196,1084 17.248,1085 0.783,1086 28.18,1087 13.483,1088 2.407,1089 7.751,1090 25.127,1091 3.588,1092 15.237,1093 18.484,1094 0.153,1095 30.414,1096 14.467,1097 2.154,1098 7.076,1099 26.946,1100 2.972,1101 16.339,1102 19.904,1103 0.62,1104 32.689,1105 15.52,1106 1.853,1107 6.212,1108 28.769,1109 2.926,1110 17.407,1111 21.185,1112 0.1,1113 34.941,1114 16.531,1115 17478,1116 27275,1117 26.929,1118 43.296,1119 57.799,1120 58.611,1121 58.603,1122 57.666,1123 57.679,1124 70.83,1125 10.76,1126 160.575,1127 53.689,1128 5.332,1129 5.253,1130 6.216,1131 5.088,1132 5.036,1133 6.932,1134 1.72,1135 16.656,1136 4.888,1137 11.462,1138 1.482,1139 1.503,1140 1.503,1141 1.479,1142 1.479,1143 1.816,1144 0.276,1145 4.117,1146 1.377,1147 4.026,1148 4.07,1149 3.975,1150 3.904,1151 5.027,1152 3.915,1153 3.931,1154 3.967,1155 3.879,1156 3.834,1157 4.854,1158 3.84,1159 3.783,1160 3.831,1161 3.733,1162 3.618,1163 4.757,1164 3.642,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.62,1172 3.663,1173 3.504,1174 3.437,1175 4.551,1176 3.445,1177 3.319,1178 3.398,1179 3.189,1180 3.064,1181 4.399,1182 3.081,1183 3.202,1184 3.284,1185 3.017,1186 2.944,1187 4.099,1188 2.947,1189 3.111,1190 3.206,1191 2.939,1192 2.941,1193 3.996,1194 2.91,1195 0.111,1196 0.083,1197 0.164,1198 0.102,1199 0.078,1200 4.332,1201 0.101,1202 3.253,1203 0.022,1204 6.414,1205 0.251,1206 3.985,1207 0.074,1208 3.036,1209 3.932,1210 0.86,1211 9.798,1212 2.888,1213 1.942,1214 1.907,1215 2.044,1216 2.089,1217 1.27,1218 2.078,1219 1.899,1220 1.871,1221 2.004,1222 2.031,1223 1.19,1224 2.022,1225 1.716,1226 1.667,1227 1.905,1228 1.933,1229 1.097,1230 1.927,1231 1.683,1232 1.624,1233 1.836,1234 1.903,1235 0.993,1236 1.886,1237 1.574,1238 1.525,1239 1.772,1240 1.769,1241 0.825,1242 1.772,1243 1.263,1244 1.18,1245 1.588,1246 1.557,1247 0.825,1248 1.567,1249 1.174,1250 1.09,1251 1.552,1252 1.466,1253 0.818,1254 1.498,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.605,1260 1.429,1261 4.369,1263 5.673,1265 7.182,1267 8.774,1269 10.41,1271 3.651,1277 6.483,1278 3.443,1279 16.498,1282 6.748,1289 41.121,1290 103.952,1291 225.791,1292 298.163,1293 320.163,1294 322.918,1295 322.918,1296 44.354,1297 8.157,1298 75.22,1299 75.22,1300 30,1301 12.694,1302 4.248,1303 3.322,1304 52.031,1305 160,1306 170,1307 0.154,1308 249.612,1309 432.47,1310 600.814,1311 42689,1313 24.037,1314 0.687,1315 0.58,1316 24.037,1317 20.314,1318 17.191,1319 0.441,1320 0.307,1321 11.723,1322 16.245,1323 11.455,1324 9.431,1325 17.191,1326 11.978,1327 14.978,1328 0.283,1329 0.162,1330 14.978,1331 8.561,1332 12.889,1333 0.184,1334 0.091,1335 12.889,1336 6.336,1337 10.769,1338 0.118,1339 0.048,1340 10.769,1341 4.352,1342 9.041,1343 0.077,1344 0.025,1345 9.041,1346 2.985,1347 0.243,1348 109.304,1349 0.193,1350 32.163,1351 0.422,1352 184,1353 531.765,1354 205.93,1355 499.341,1356 694.31,1357 476,1358 215,1359 513.156,1360 237.516,1361 516.616,1362 755.63,1363 485,1364 8.35}
{0 CHEMBL1762526,1 1.487,2 12.086,3 5.09,4 25.905,5 141.94,6 6.879,7 0.462,8 4.329,9 4.461,10 3.844,11 3.807,12 5.319,13 3.787,14 4.905,15 5.107,16 4.186,17 4.194,18 5.839,19 4.157,20 5.114,21 5.33,22 4.24,23 4.387,24 5.999,25 4.308,26 5.196,27 5.436,28 4.207,29 4.456,30 6.029,31 4.331,32 5.274,33 5.536,34 4.254,35 4.463,36 6.099,37 4.349,38 5.262,39 5.513,40 4.251,41 4.422,42 6.129,43 4.322,44 5.263,45 5.532,46 4.217,47 4.387,48 6.088,49 4.278,50 5.245,51 5.511,52 4.132,53 4.347,54 6.063,55 4.233,56 0.039,57 1.05,58 15.932,59 5.992,60 9.18,61 8.639,62 0.435,63 1.67,64 30.823,65 9.603,66 31.441,67 14.112,68 0.511,69 2.026,70 37.914,71 12.052,72 36.899,73 18.241,74 0.351,75 2.168,76 40.546,77 15.087,78 35.787,79 22.35,80 0.326,81 2.253,82 44.773,83 14.974,84 42.258,85 23.119,86 0.546,87 2.249,88 44.772,89 13.521,90 48.578,91 21.012,92 0.62,93 2.183,94 45.235,95 13.409,96 45.661,97 21.431,98 0.516,99 2.095,100 44.539,101 13.393,102 44.067,103 20.785,104 10,105 54,106 0.234,107 0.519,108 0.69,109 0.735,110 0.76,111 0.76,112 3.589,113 0.945,114 -4.44,115 -4.37,116 -4.12,118 39.1,119 2,123 1,124 8,138 7,139 2,140 4,141 1,143 1,146 1,167 6,170 2,171 9,173 2,175 2,178 10,181 2,182 3,188 5,191 2,192 10,195 3,197 2,199 4,204 7,211 4,214 4,215 8,220 2,223 4,227 2,228 5,231 2,233 3,239 2,240 5,245 2,247 5,251 4,260 6,264 2290,265 23.947,266 23.947,267 23.947,268 23.947,269 23.947,270 21.796,271 43.094,272 14.318,273 24.773,274 19.304,275 19.304,276 19.304,277 19.304,278 19.304,279 15.99,280 75.929,281 6.884,282 20.606,283 4.621,284 2.808,285 1.72,286 1.435,287 1.279,288 1.279,289 4.297,294 1,295 928,296 3,300 583.394,307 1.745,308 21.415,311 1,312 0.83,313 1,314 1,315 1,316 1,317 1,318 0.98,319 75,320 423,321 4.386,322 3.314,323 6.594,324 4.042,325 3.091,326 3.986,327 0.86,328 10.357,329 2.949,330 4.317,331 3.241,332 6.311,333 3.977,334 3.023,335 3.919,336 0.86,337 9.701,338 2.886,339 4.046,340 3.013,341 6.016,342 3.609,343 2.684,344 3.648,345 0.8,346 8.629,347 2.508,348 3.795,349 2.827,350 5.768,351 3.608,352 2.668,353 2.972,354 0.8,355 7.997,356 2.478,357 3.639,358 2.615,359 5.465,360 3.338,361 2.39,362 2.913,363 0.8,364 7.145,365 2.256,366 3.455,367 2.391,368 5.032,369 3.103,370 2.137,371 2.741,372 0.4,373 5.991,374 2.073,375 3.297,376 2.285,377 4.908,378 2.951,379 1.993,380 2.528,382 5.576,383 1.89,384 2.965,385 2.25,386 4.489,387 2.687,388 1.754,389 2.051,391 4.543,392 1.632,393 2.861,394 2.08,395 4.377,396 2.604,397 1.697,398 1.978,400 4.065,401 1.535,402 2.838,403 1.645,404 4.283,405 2.442,406 1.474,407 1.879,409 4.012,410 1.423,411 2.655,412 1.493,413 3.62,414 2.131,415 1.19,416 1.727,417 2.721,418 1.118,419 2.238,420 1.288,421 3.51,422 2.021,423 1.134,424 1.225,425 2.646,426 0.995,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2.037,436 1.256,437 3.435,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.205,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 16.567,452 0.473,453 0.78,454 0.022,455 44.25,456 1.264,457 20,458 0.571,459 24.25,460 0.693,461 33.47,462 0.956,463 38.633,464 0.56,465 35.104,466 1.003,467 8.77,468 0.251,469 8.294,470 0.237,471 0.091,473 0.314,478 0.941,479 1.616,480 0.848,481 1.275,482 0.903,483 1.08,484 1.47,485 1.013,486 0.963,487 0.85,488 1.054,489 0.844,490 1.253,491 1.105,492 1.121,493 0.975,494 1.141,495 1.018,496 0.502,497 1.124,498 0.99,499 1.175,500 0.714,501 1.149,502 0.719,503 1.134,504 0.888,505 1.02,506 0.776,507 0.974,508 1.099,509 1.08,510 1.079,511 1.013,512 1.171,513 1.027,514 0.845,515 1.046,516 0.954,517 0.938,518 0.912,519 0.942,520 1.156,521 1.018,522 1.055,523 0.982,524 1.367,525 0.991,526 6.5,527 0.231,528 3.333,529 2.25,530 1.671,531 1.208,532 0.75,533 0.363,534 0.255,535 0.292,536 18497,537 40782,538 2.141,539 49.3,540 6,541 26,543 1,544 1,549 1.771,550 2.039,551 3.582,552 -0.373,558 102.623,559 1.487,560 3.301,561 4.389,562 4.673,563 4.829,564 4.829,565 2.914,566 4.251,567 5.103,568 3.766,569 2240.57,570 8.98,571 35113.1,576 421.488,577 1.271,578 5.076,579 0.167,580 0.006,581 0.062,582 0.04,583 0.032,584 0.022,585 0.014,586 0.007,587 0.005,588 0.007,589 0.361,590 0.17,591 0.75,592 0.45,593 188.684,594 0.005,595 -0.357,596 0.091,597 -0.158,598 -0.017,599 -0.043,600 -0.087,601 0.121,602 0.053,603 0.136,604 0.067,605 0.111,606 -0.136,607 0.012,608 -0.132,609 0.022,610 -0.146,611 -0.046,612 0.099,613 -0.062,614 -0.056,615 -0.135,616 0.032,617 -0.123,618 0.002,619 -0.115,620 0.071,621 -0.022,622 0.071,623 0.028,624 -0.068,625 -0.013,626 -0.083,627 -0.062,628 -0.112,629 -0.073,630 0.094,631 -0.018,632 0.038,633 0.004,634 0.075,635 0.016,636 -0.089,637 -0.009,638 -0.052,639 -0.038,640 -0.156,641 -0.037,642 1.091,643 2.073,644 0.857,645 36.931,646 0.995,647 1.134,648 3.207,649 10.285,650 0.646,651 3.689,652 4.007,653 4.277,654 4.543,655 4.804,656 4.82,657 4.997,658 5.13,659 5.263,660 5.366,661 7.517,662 0.608,663 474.67,664 3.689,665 5.231,666 6.08,667 6.954,668 7.818,669 8.696,670 9.567,671 10.447,672 11.321,673 12.203,674 8.7,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,716 69,718 18,719 2,720 39,722 73,723 27,724 16,725 6,726 6,728 5,729 5,732 2,740 16,741 11,760 34,761 8,762 1,763 8,769 6,775 1,776 2,788 1,794 5,818 2,819 5,823 3,827 35,833 8,834 1,835 2,838 3,850 2.9,854 2,858 17.167,859 13.25,860 7.639,861 4.176,863 3.361,864 1.412,865 0.989,866 7.491,867 11.518,868 3.892,869 4.449,870 4.978,871 5.527,872 6.067,873 6.239,874 6.598,875 6.973,876 7.325,877 7.676,878 0.875,879 56,880 12.939,881 5.372,882 7.467,883 25.484,884 20.863,885 1.967,886 68.833,890 388.446,891 149.845,892 60.955,894 22,897 149.845,898 410.446,899 60.955,900 26.047,901 26.792,902 66.334,903 67.342,904 53.829,905 4.227,906 376.675,908 388.446,909 210.8,910 22,913 388.446,915 22,917 76.524,918 100.705,919 33.571,921 388.446,922 82.955,923 149.845,926 388.446,927 48.418,928 110.801,929 18.011,930 55.571,931 388.446,932 82.955,933 149.845,935 0.579,936 0.337,937 0.186,938 0.107,939 26,940 11,941 0.082,942 6,944 1,945 4.553,946 339.353,948 30,949 155.525,954 24.014,955 10.918,956 5.76,958 82.955,959 16.841,960 9.355,964 8.327,966 18.011,967 621.246,968 48,980 68.636,981 78.221,983 0.243,984 0.54,985 0.718,986 0.765,987 0.791,988 0.791,989 5.139,990 1.754,991 6.052,992 5.576,993 4.691,994 5.136,995 1.968,996 6.843,997 4.573,998 6.311,999 1.697,1000 7.594,1001 4.543,1002 4.205,1003 4.844,1004 0.766,1005 7.667,1006 4.042,1007 7.598,1008 1.474,1009 9.236,1010 4.065,1011 6.263,1012 7.239,1013 1.531,1014 10.78,1015 6.04,1016 8.917,1017 1.19,1018 10.936,1019 4.012,1020 6.594,1021 7.74,1022 0.653,1023 12.431,1024 6.325,1025 10.268,1026 1.134,1027 12.675,1028 2.721,1029 8.107,1030 9.626,1031 1.235,1032 15.042,1033 7.783,1034 11.641,1035 1,1036 14.44,1037 2.646,1038 8.83,1039 10.509,1040 0.482,1041 17.045,1042 8.459,1043 13.031,1044 1,1045 16.224,1046 2.509,1047 10.107,1048 12.16,1049 0.995,1050 19.469,1051 9.686,1052 3.091,1053 1,1054 18.023,1055 2.136,1056 11.024,1057 13.249,1058 0.337,1059 21.634,1060 10.557,1061 3.023,1062 10.357,1063 19.832,1064 2.136,1065 12.198,1066 14.777,1067 0.792,1068 23.985,1069 11.684,1070 2.684,1071 9.701,1072 21.651,1073 3.986,1074 13.211,1075 15.982,1076 0.229,1077 26.226,1078 12.651,1079 2.668,1080 8.629,1081 23.477,1082 3.919,1083 14.342,1084 17.442,1085 0.621,1086 28.551,1087 13.736,1088 2.39,1089 7.997,1090 25.308,1091 3.648,1092 15.403,1093 18.714,1094 0.153,1095 30.829,1096 14.752,1097 2.137,1098 7.145,1099 27.145,1100 2.972,1101 16.517,1102 20.135,1103 0.48,1104 33.146,1105 15.822,1106 1.993,1107 5.991,1108 28.986,1109 2.913,1110 17.602,1111 21.447,1112 0.1,1113 35.443,1114 16.862,1115 17239,1116 25760,1117 26.641,1118 44.603,1119 58.284,1120 58.818,1121 59.288,1122 58.083,1123 58.035,1124 71.384,1125 9.04,1126 164.224,1127 54.544,1128 5.386,1129 5.314,1130 6.396,1131 5.145,1132 5.091,1133 6.986,1134 1.72,1135 17.463,1136 4.949,1137 13.869,1138 1.494,1139 1.508,1140 1.52,1141 1.489,1142 1.488,1143 1.83,1144 0.232,1145 4.211,1146 1.399,1147 4.033,1148 4.077,1149 3.982,1150 3.925,1151 5.023,1152 3.931,1153 3.952,1154 3.988,1155 3.897,1156 3.868,1157 4.757,1158 3.871,1159 3.793,1160 3.847,1161 3.743,1162 3.627,1163 4.727,1164 3.651,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.621,1172 3.665,1173 3.505,1174 3.437,1175 4.549,1176 3.446,1177 3.334,1178 3.417,1179 3.189,1180 3.177,1181 4.146,1182 3.162,1183 3.247,1184 3.34,1185 3.066,1186 3.031,1187 3.997,1188 3.033,1189 3.111,1190 3.206,1191 2.944,1192 2.941,1193 3.975,1194 2.91,1195 0.112,1196 0.085,1197 0.169,1198 0.104,1199 0.079,1200 4.386,1201 0.102,1202 3.314,1203 0.022,1204 6.594,1205 0.266,1206 4.042,1207 0.076,1208 3.091,1209 3.986,1210 0.86,1211 10.357,1212 2.949,1213 1.955,1214 1.924,1215 2.065,1216 2.091,1217 1.27,1218 2.08,1219 1.934,1220 1.901,1221 2.042,1222 2.049,1223 1.202,1224 2.052,1225 1.726,1226 1.675,1227 1.905,1228 1.933,1229 1.19,1230 1.927,1231 1.683,1232 1.624,1233 1.845,1234 1.917,1235 0.993,1236 1.901,1237 1.575,1238 1.525,1239 1.777,1240 1.77,1241 0.844,1242 1.775,1243 1.343,1244 1.27,1245 1.657,1246 1.556,1247 0.825,1248 1.589,1249 1.239,1250 1.143,1251 1.576,1252 1.499,1253 0.825,1254 1.536,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.739,1260 1.429,1261 4.369,1263 5.687,1265 7.204,1267 8.807,1269 10.452,1271 6.274,1277 6.552,1278 3.471,1279 11.145,1282 6.868,1289 41.933,1290 102.623,1291 227.74,1292 302.817,1293 322.469,1294 333.224,1295 333.224,1296 45.09,1297 8.157,1298 65.99,1299 65.99,1300 30,1301 12.739,1302 4.248,1303 3.322,1304 52.009,1305 158,1306 143,1307 0.157,1308 255.208,1309 440.98,1310 614.468,1311 42437,1313 24.2,1314 0.691,1315 0.595,1316 24.2,1317 20.828,1318 17.064,1319 0.438,1320 0.315,1321 12.069,1322 16.277,1323 11.702,1324 9.673,1325 17.064,1326 12.282,1327 15.336,1328 0.284,1329 0.169,1330 15.336,1331 9.149,1332 12.94,1333 0.182,1334 0.093,1335 12.94,1336 6.622,1337 10.862,1338 0.117,1339 0.05,1340 10.862,1341 4.605,1342 9.259,1343 0.077,1344 0.027,1345 9.259,1346 3.246,1347 0.246,1348 107.425,1349 0.194,1350 32.068,1351 0.43,1352 186,1353 492.029,1354 205.051,1355 470.526,1356 659.58,1357 448,1358 218,1359 493.611,1360 238.025,1361 500.173,1362 732.85,1363 470,1364 7.571}
{0 CHEMBL1762527,1 1.535,2 12.722,3 4.587,4 21.041,5 143.362,6 7.01,7 0.45,8 4.351,9 4.478,10 3.879,11 3.805,12 5.365,13 3.797,14 4.924,15 5.12,16 4.212,17 4.183,18 5.881,19 4.16,20 5.117,21 5.327,22 4.275,23 4.379,24 6.022,25 4.315,26 5.194,27 5.42,28 4.249,29 4.465,30 6.061,31 4.351,32 5.306,33 5.565,34 4.299,35 4.478,36 6.144,37 4.369,38 5.292,39 5.54,40 4.302,41 4.418,42 6.181,43 4.339,44 5.238,45 5.477,46 4.266,47 4.407,48 6.117,49 4.311,50 5.334,51 5.614,52 4.18,53 4.388,54 6.148,55 4.27,56 0.013,57 1.056,58 15.959,59 6.014,60 9.855,61 8.531,62 0.482,63 1.657,64 31.407,65 9.47,66 35.551,67 13.706,68 0.543,69 2.005,70 37.876,71 11.8,72 38.3,73 17.677,74 0.38,75 2.165,76 40.05,77 14.986,78 36.937,79 21.937,80 0.299,81 2.281,82 46.226,83 15.43,84 45.355,85 23.736,86 0.74,87 2.24,88 46.783,89 13.179,90 56.861,91 20.405,92 0.544,93 2.178,94 43.16,95 13.169,96 44.205,97 20.63,98 0.717,99 2.19,100 49.598,101 14.387,102 56.735,103 22.58,104 11,105 55,106 0.241,107 0.536,108 0.718,109 0.757,110 0.764,111 0.764,112 3.616,113 0.93,114 -3.7,115 -3.66,116 -3.49,118 38.6,119 1,123 2,124 8,138 7,139 1,140 5,141 1,143 1,146 1,167 3,170 2,171 11,173 2,175 2,178 7,181 2,182 3,188 3,191 3,192 10,195 3,197 2,199 2,204 7,211 2,214 5,215 8,220 2,223 3,227 2,228 4,231 2,233 2,239 3,240 4,243 1,245 1,247 5,251 4,260 4,264 2444,265 24.817,266 24.817,267 24.817,268 24.817,269 24.817,270 22.719,271 44.982,272 14.82,273 25.822,274 19.732,275 19.732,276 19.732,277 19.732,278 19.732,279 16.412,280 78.897,281 7.031,282 21.222,283 4.595,284 2.711,285 1.552,286 1.3,287 1.261,288 1.261,289 4.324,294 1,295 1002,296 3.162,300 603.298,307 1.88,308 23.798,311 1,312 0.67,313 1,314 1,315 1,316 1,317 1,318 0.95,319 78,320 458,321 4.39,322 3.322,323 6.596,324 4.043,325 3.095,326 3.992,327 0.86,328 10.37,329 2.942,330 4.318,331 3.241,332 6.311,333 3.977,334 3.023,335 3.92,336 0.86,337 9.701,338 2.885,339 4.052,340 3.013,341 6.016,342 3.613,343 2.684,344 3.652,345 0.86,346 8.629,347 2.501,348 3.795,349 2.866,350 5.778,351 3.608,352 2.677,353 2.972,354 0.8,355 8.032,356 2.478,357 3.658,358 2.718,359 5.474,360 3.347,361 2.413,362 2.941,363 0.8,364 7.212,365 2.249,366 3.499,367 2.488,368 5.196,369 3.137,370 2.198,371 2.777,372 0.8,373 6.385,374 2.054,375 3.309,376 2.345,377 5.009,378 2.961,379 2.024,380 2.536,381 0.4,382 5.835,383 1.889,384 2.965,385 2.25,386 4.489,387 2.688,388 1.755,389 2.051,391 4.543,392 1.632,393 2.862,394 2.082,395 4.377,396 2.604,397 1.697,398 1.978,400 4.065,401 1.535,402 2.838,403 1.645,404 4.283,405 2.442,406 1.474,407 1.879,409 4.012,410 1.423,411 2.655,412 1.494,413 3.622,414 2.131,415 1.19,416 1.727,417 2.721,418 1.118,419 2.238,420 1.288,421 3.51,422 2.021,423 1.134,424 1.225,425 2.646,426 0.995,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2.041,436 1.256,437 3.436,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.208,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 16.9,452 0.469,453 0.742,454 0.021,455 45.75,456 1.271,457 20.5,458 0.569,459 25.25,460 0.701,461 33.877,462 0.941,463 40.1,464 0.573,465 37.372,466 1.038,467 9.214,468 0.256,469 8.388,470 0.233,471 0.089,473 0.308,478 0.937,479 1.656,480 0.827,481 1.315,482 0.869,483 1.089,484 1.497,485 1,486 0.974,487 0.826,488 1.115,489 0.822,490 1.221,491 1.088,492 1.095,493 0.942,494 1.09,495 0.984,496 0.504,497 1.147,498 1.01,499 1.217,500 0.727,501 1.195,502 0.64,503 1.183,504 0.847,505 1.067,506 0.712,507 0.993,508 1.227,509 0.959,510 1.072,511 0.878,512 1.193,513 0.929,514 0.814,515 1.233,516 1.054,517 1.132,518 0.894,519 1.116,520 0.954,521 0.884,522 0.969,523 0.87,524 1.192,525 0.901,526 6.5,527 0.231,528 3.333,529 2.25,530 1.711,531 1.382,532 0.75,533 0.363,534 0.267,535 0.308,536 19918,537 46951,538 2.137,539 48.6,540 3,541 29,543 1,544 1,549 1.778,550 2.038,551 3.64,552 -0.355,558 107.429,559 1.535,560 3.419,561 4.577,562 4.829,563 4.868,564 4.868,565 3.03,566 4.139,567 5.144,568 3.815,569 2403.19,570 9.06,571 38470.7,576 429.05,577 1.256,578 5.118,579 0.162,580 0.006,581 0.061,582 0.039,583 0.031,584 0.024,585 0.013,586 0.007,587 0.005,588 0.007,589 0.355,590 0.33,591 0.75,592 0.586,593 196.021,594 -0.013,595 -0.39,596 0.092,597 -0.189,598 -0.001,599 -0.056,600 -0.143,601 0.128,602 0.039,603 0.156,604 0.019,605 0.124,606 -0.153,607 0.035,608 -0.116,609 0.057,610 -0.125,611 -0.013,612 0.1,613 -0.058,614 -0.091,615 -0.16,617 -0.162,618 0.031,619 -0.172,620 0.101,621 -0.058,622 0.092,623 0.021,624 -0.109,625 0.099,626 -0.063,627 0.052,628 -0.1,629 0.009,630 0.048,631 -0.152,632 -0.086,633 -0.157,634 0.019,635 -0.142,636 -0.008,637 0.092,638 0.03,639 0.059,640 -0.071,641 0.056,642 1.119,643 2.072,644 0.833,645 39,646 0.999,647 1.135,648 2.468,649 6.091,650 0.644,651 3.714,652 4.025,653 4.304,654 4.564,655 4.828,656 4.868,657 5.03,658 5.153,659 5.288,660 5.389,661 7.721,662 0.609,663 490.67,664 3.714,665 5.252,666 6.103,667 6.974,668 7.84,669 8.718,670 9.59,671 10.47,672 11.345,673 12.227,674 8.6,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,714 1,716 70,718 18,719 2,720 40,722 74,723 27,724 16,725 6,726 6,728 5,729 5,732 1,740 16,741 11,760 34,761 9,762 1,763 9,769 6,775 1,776 3,788 1,794 5,818 2,819 5,823 3,827 36,833 8,834 1,835 3,838 3,850 4.3,854 2,855 1,858 17.667,859 13.417,860 7.972,861 4.135,863 3.394,864 1.412,865 0.981,866 7.994,867 11.624,868 3.912,869 4.46,870 4.999,871 5.545,872 6.087,873 6.28,874 6.634,875 6.991,876 7.348,877 7.699,878 1,879 58,880 13.293,881 5.498,882 7.509,883 26.019,884 21.107,885 2.009,886 72.333,890 388.446,891 153.961,892 60.955,894 33,897 153.961,898 421.446,899 60.955,900 28.105,901 26.792,902 66.334,903 67.342,904 66.887,905 4.227,906 376.675,908 388.446,909 214.916,910 33,913 388.446,914 11,915 22,917 67.699,918 113.646,919 33.571,921 388.446,922 93.954,923 153.961,926 388.446,927 50.475,928 112.859,929 18.011,930 66.571,931 388.446,932 93.954,933 153.961,935 0.575,936 0.34,937 0.186,938 0.107,939 26,940 11,941 0.095,942 7,944 1,945 4.626,946 351.687,948 30,949 162.117,954 24.932,955 11.542,956 5.99,958 93.954,959 16.326,960 9.331,964 7.62,966 18.011,967 636.362,968 49,980 69.963,981 79.431,983 0.25,984 0.558,985 0.747,986 0.788,987 0.794,988 0.794,989 5.156,990 1.755,991 6.071,992 5.835,993 4.71,994 5.147,995 2.156,996 6.862,997 4.578,998 6.324,999 1.697,1000 7.613,1001 4.543,1002 4.205,1003 4.844,1004 0.766,1005 7.692,1006 4.021,1007 7.61,1008 1.474,1009 9.255,1010 4.065,1011 6.282,1012 7.249,1013 1.743,1014 10.8,1015 6.037,1016 8.929,1017 1.19,1018 10.956,1019 4.012,1020 6.608,1021 7.75,1022 0.653,1023 12.453,1024 6.311,1025 10.28,1026 1.134,1027 12.695,1028 2.721,1029 8.126,1030 9.636,1031 1.446,1032 15.059,1033 7.776,1034 11.654,1035 1,1036 14.46,1037 2.646,1038 8.846,1039 10.521,1040 0.482,1041 17.062,1042 8.445,1043 13.044,1044 1,1045 16.244,1046 2.509,1047 10.124,1048 12.171,1049 1.195,1050 19.483,1051 9.675,1052 3.095,1053 1,1054 18.042,1055 2.136,1056 11.04,1057 13.261,1058 0.337,1059 21.648,1060 10.542,1061 3.023,1062 10.37,1063 19.85,1064 2.136,1065 12.213,1066 14.789,1067 0.975,1068 23.998,1069 11.669,1070 2.684,1071 9.701,1072 21.668,1073 3.992,1074 13.226,1075 15.995,1076 0.229,1077 26.239,1078 12.634,1079 2.677,1080 8.629,1081 23.492,1082 3.92,1083 14.357,1084 17.454,1085 0.783,1086 28.564,1087 13.719,1088 2.413,1089 8.032,1090 25.323,1091 3.652,1092 15.418,1093 18.728,1094 0.153,1095 30.842,1096 14.733,1097 2.198,1098 7.212,1099 27.158,1100 2.972,1101 16.532,1102 20.149,1103 0.62,1104 33.159,1105 15.802,1106 2.024,1107 6.385,1108 28.999,1109 2.941,1110 17.617,1111 21.463,1112 0.1,1113 35.457,1114 16.841,1115 18631,1116 28756,1117 27.334,1118 45.057,1119 59.465,1120 60.178,1121 60.727,1122 59.281,1123 59.303,1124 72.656,1125 10.76,1126 167.312,1127 55.318,1128 5.39,1129 5.322,1130 6.398,1131 5.147,1132 5.095,1133 6.992,1134 1.72,1135 17.479,1136 4.942,1137 14.186,1138 1.487,1139 1.504,1140 1.518,1141 1.482,1142 1.483,1143 1.816,1144 0.269,1145 4.183,1146 1.383,1147 4.031,1148 4.074,1149 3.981,1150 3.913,1151 5.027,1152 3.923,1153 3.946,1154 3.98,1155 3.895,1156 3.855,1157 4.847,1158 3.86,1159 3.79,1160 3.84,1161 3.741,1162 3.622,1163 4.757,1164 3.646,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.62,1172 3.664,1173 3.505,1174 3.437,1175 4.551,1176 3.445,1177 3.338,1178 3.404,1179 3.205,1180 3.099,1181 4.406,1182 3.11,1183 3.256,1184 3.344,1185 3.088,1186 3.028,1187 4.107,1188 3.029,1189 3.111,1190 3.206,1191 2.944,1192 2.941,1193 3.996,1194 2.91,1195 0.11,1196 0.083,1197 0.165,1198 0.101,1199 0.077,1200 4.39,1201 0.1,1202 3.322,1203 0.022,1204 6.596,1205 0.259,1206 4.043,1207 0.074,1208 3.095,1209 3.992,1210 0.86,1211 10.37,1212 2.942,1213 1.944,1214 1.911,1215 2.045,1216 2.09,1217 1.27,1218 2.078,1219 1.921,1220 1.893,1221 2.027,1222 2.042,1223 1.19,1224 2.037,1225 1.72,1226 1.671,1227 1.905,1228 1.933,1229 1.162,1230 1.927,1231 1.683,1232 1.624,1233 1.84,1234 1.912,1235 0.993,1236 1.894,1237 1.574,1238 1.525,1239 1.774,1240 1.769,1241 0.829,1242 1.773,1243 1.282,1244 1.218,1245 1.609,1246 1.571,1247 0.825,1248 1.581,1249 1.237,1250 1.142,1251 1.576,1252 1.509,1253 0.825,1254 1.537,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.627,1260 1.429,1261 4.394,1263 5.707,1265 7.223,1267 8.825,1269 10.471,1271 5.761,1277 6.478,1278 3.457,1279 16.569,1282 6.79,1289 42.648,1290 107.429,1291 239.302,1292 320.379,1293 338.03,1294 340.785,1295 340.785,1296 47.514,1297 8.23,1298 75.22,1299 75.22,1300 30,1301 12.763,1302 4.248,1303 3.322,1304 54.274,1305 168,1306 168,1307 0.155,1308 259.205,1309 449.77,1310 624.219,1311 46730,1313 24.907,1314 0.692,1315 0.59,1316 24.907,1317 21.236,1318 17.602,1319 0.44,1320 0.31,1321 12.139,1322 16.658,1323 11.801,1324 9.742,1325 17.602,1326 12.395,1327 15.505,1328 0.282,1329 0.164,1330 15.505,1331 9.012,1332 13.364,1333 0.183,1334 0.091,1335 13.364,1336 6.673,1337 11.104,1338 0.117,1339 0.048,1340 11.104,1341 4.602,1342 9.361,1343 0.075,1344 0.025,1345 9.361,1346 3.137,1347 0.244,1348 111.768,1349 0.191,1350 32.841,1351 0.423,1352 190,1353 539.765,1354 211.93,1355 507.97,1356 707.38,1357 484,1358 223,1359 524.156,1360 245.683,1361 528.994,1362 774.22,1363 496,1364 7.678}
{0 CHEMBL1762528,1 1.552,2 12.686,3 3.513,4 12.34,5 138.673,6 7.114,7 0.462,8 4.313,9 4.439,10 3.848,11 3.772,12 5.344,13 3.767,14 4.879,15 5.067,16 4.177,17 4.159,18 5.863,19 4.133,20 5.1,21 5.319,22 4.227,23 4.345,24 6.012,25 4.274,26 5.148,27 5.379,28 4.194,29 4.398,30 6.041,31 4.286,32 5.226,33 5.484,34 4.241,35 4.399,36 6.096,37 4.298,38 5.191,39 5.431,40 4.248,41 4.353,42 6.104,43 4.274,44 5.2,45 5.449,46 4.222,47 4.337,48 6.119,49 4.251,50 5.226,51 5.486,52 4.151,53 4.328,54 6.08,55 4.223,56 0.036,57 1.021,58 15.06,59 5.704,60 10.223,61 8.011,62 0.458,63 1.617,64 29.392,65 9.075,66 35.433,67 13.016,68 0.539,69 1.955,70 37.106,71 11.582,72 39.877,73 17.398,74 0.339,75 2.041,76 38.247,77 14.249,78 40.403,79 20.782,80 0.399,81 2.117,82 42.776,83 13.847,84 47.327,85 21.372,86 0.537,87 2.092,88 41.297,89 12.244,90 47.372,91 18.809,92 0.701,93 2.053,94 42.198,95 12.139,96 57.751,97 19.106,98 0.508,99 2.025,100 43.61,101 13.326,102 49.655,103 20.339,104 6,105 53,106 0.245,107 0.547,108 0.71,109 0.762,110 0.769,111 0.769,112 3.589,113 0.926,114 -3.5,115 -3.47,116 -3.32,118 38.8,123 1,124 9,138 8,139 1,140 4,141 1,143 1,146 1,167 4,170 2,171 9,173 2,175 3,178 7,181 2,182 2,186 2,188 2,191 2,192 9,195 3,197 3,199 2,204 6,206 1,208 1,211 2,214 4,215 7,220 2,223 3,227 2,228 4,231 3,233 3,239 2,240 4,245 1,247 5,251 4,255 1,256 1,260 4,264 2332,265 24.317,266 24.317,267 24.317,268 24.317,269 24.317,270 22.272,271 44.791,272 14.646,273 25.167,274 19.265,275 19.265,276 19.265,277 19.265,278 19.265,279 16.025,280 80.355,281 6.959,282 20.615,283 4.515,284 2.608,285 1.575,286 1.246,287 1.205,288 1.205,289 4.299,294 1,295 975,296 3.082,300 586.557,307 1.902,308 26.056,311 1,312 0.67,313 1,314 1,315 1,316 1,317 1,318 0.95,319 76,320 444,321 4.332,322 3.252,323 6.414,324 3.985,325 3.036,326 3.932,327 0.86,328 9.798,329 2.889,330 4.275,331 3.226,332 6.311,333 3.938,334 2.996,335 3.832,336 0.86,337 9.694,338 2.826,339 3.995,340 3.013,341 6.016,342 3.608,343 2.684,344 3.588,345 0.8,346 8.629,347 2.485,348 3.795,349 2.808,350 5.619,351 3.568,352 2.621,353 2.972,354 0.8,355 7.751,356 2.478,357 3.657,358 2.685,359 5.412,360 3.359,361 2.407,362 2.926,363 0.8,364 7.076,365 2.275,366 3.438,367 2.408,368 5.118,369 3.098,370 2.154,371 2.685,372 0.765,373 6.212,374 2.029,375 3.156,376 2.25,377 4.848,378 2.8,379 1.853,380 2.373,381 0.4,382 5.309,383 1.748,384 2.944,385 2.181,386 4.463,387 2.626,388 1.697,389 2.009,391 4.492,392 1.578,393 2.838,394 1.908,395 4.283,396 2.604,397 1.688,398 1.879,400 4.065,401 1.535,402 2.72,403 1.537,404 3.71,405 2.258,406 1.284,407 1.814,409 2.832,410 1.25,411 2.642,412 1.375,413 3.512,414 2.123,415 1.172,416 1.708,417 2.7,418 1.112,419 2.238,420 1.288,421 3.489,422 2.021,423 1.133,424 1.225,425 2.58,426 0.995,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2,436 1.256,437 3.402,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.194,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 16.4,452 0.469,453 0.653,454 0.019,455 44.5,456 1.271,457 20,458 0.571,459 24.5,460 0.7,461 31.453,462 0.899,463 38.8,464 0.579,465 35.999,466 1.029,467 8.969,468 0.256,469 8.222,470 0.235,471 0.051,473 0.287,478 0.97,479 1.61,480 0.828,481 1.254,482 0.935,483 1.051,484 1.406,485 1.052,486 1.018,487 0.889,488 1.016,489 0.891,490 1.098,491 1.061,492 1.069,493 0.938,494 0.774,495 0.98,496 0.54,497 1.152,498 0.972,499 1.205,500 0.744,501 1.167,502 0.678,503 1.106,504 0.855,505 0.989,506 0.67,507 0.945,508 1.031,509 1.097,510 1.05,511 1.011,512 0.865,513 1.016,514 0.91,515 1.047,516 1.021,517 0.955,518 0.946,519 0.982,520 0.983,521 1.041,522 0.999,523 1.01,524 0.954,525 0.999,526 6,527 0.214,528 2.889,529 2.063,530 1.36,531 1.271,532 0.687,533 0.335,534 0.218,535 0.308,536 18757,537 45638,538 2.158,539 47.8,541 29,543 1,544 2,549 1.771,550 2.079,551 3.638,552 0.191,558 103.952,559 1.552,560 3.458,561 4.491,562 4.82,563 4.861,564 4.861,565 3.047,566 4.365,567 5.102,568 3.807,569 2265.37,570 8.977,571 35601.5,576 406.428,577 1.15,578 5.086,579 0.154,580 0.006,581 0.055,582 0.038,583 0.026,584 0.023,585 0.013,586 0.006,587 0.005,588 0.007,589 0.332,590 0.33,591 0.75,592 0.529,593 189.144,594 -0.051,595 -0.351,596 0.075,597 -0.14,598 -0.073,599 -0.033,600 -0.152,601 0.093,602 -0.029,603 0.098,604 -0.06,605 0.055,606 -0.126,607 0.04,608 -0.102,609 0.053,610 -0.048,611 -0.009,612 0.081,613 -0.094,614 -0.051,615 -0.155,616 0.011,617 -0.136,618 0.028,619 -0.09,620 0.1,621 0.005,622 0.05,623 0.058,624 -0.079,625 -0.021,626 -0.07,627 -0.058,628 -0.051,629 -0.062,630 0.043,631 0.008,632 -0.035,633 -0.012,634 0.019,635 -0.029,636 -0.058,637 -0.046,638 -0.013,639 -0.049,640 -0.067,641 -0.025,642 1.497,643 3.481,644 0.857,645 38.096,646 1.001,647 1.135,648 2.267,649 5.139,650 0.646,651 3.689,652 3.989,653 4.263,654 4.522,655 4.779,656 4.82,657 5.004,658 5.124,659 5.252,660 5.366,661 7.643,662 0.614,663 476.64,664 3.689,665 5.22,666 6.066,667 6.932,668 7.793,669 8.665,670 9.532,671 10.408,672 11.277,673 12.155,674 9,680 2,682 2,684 2,690 9,691 2,695 7,697 18,709 1,711 3,716 67,718 18,719 2,720 39,722 71,723 26,724 16,725 5,726 7,728 5,729 5,732 1,740 16,741 10,760 32,761 9,762 2,763 9,769 6,775 1,776 3,777 1,788 1,794 5,817 1,818 2,819 5,823 1,827 35,832 1,833 9,834 1,835 2,838 3,850 4.5,851 1,854 2,858 16.833,859 12.033,860 7.778,861 3.95,863 3.334,864 1.409,865 0.973,866 7.762,867 11.491,868 3.892,869 4.425,870 4.958,871 5.506,872 6.037,873 6.225,874 6.606,875 6.96,876 7.306,877 7.673,878 1,879 55,880 12.935,881 5.403,882 7.576,883 25.227,884 20.633,885 2.076,886 72.667,890 353.133,891 138.486,892 60.955,894 64.683,897 138.486,898 417.816,899 60.955,900 8.396,901 26.792,902 118.493,903 67.342,904 50.644,905 4.227,906 341.362,908 353.133,909 199.44,910 64.683,913 353.133,915 64.683,917 58.874,918 106.995,919 33.571,921 353.133,922 125.638,923 138.486,926 353.133,927 45.232,928 102.627,929 18.011,930 98.254,931 353.133,932 125.638,933 138.486,935 0.57,936 0.336,937 0.185,938 0.105,939 25,940 10,941 0.099,942 7,944 1,945 4.6,946 336.388,948 30,949 155.525,954 23.976,955 11.331,956 5.916,958 125.638,959 17.969,960 9.231,964 6.359,966 60.694,967 617.257,968 48,980 67.08,981 76.016,983 0.256,984 0.57,985 0.74,986 0.795,987 0.801,988 0.801,989 5.127,990 1.697,991 6.023,992 5.309,993 4.673,994 5.112,995 2.12,996 6.799,997 4.548,998 6.284,999 1.688,1000 7.553,1001 4.492,1002 4.111,1003 4.732,1004 0.766,1005 7.588,1006 3.931,1007 7.56,1008 1.284,1009 9.182,1010 4.065,1011 6.229,1012 7.19,1013 1.669,1014 10.694,1015 5.991,1016 8.868,1017 1.172,1018 10.87,1019 2.832,1020 6.509,1021 7.618,1022 0.653,1023 12.309,1024 6.211,1025 10.21,1026 1.133,1027 12.597,1028 2.7,1029 8.051,1030 9.546,1031 1.345,1032 14.898,1033 7.703,1034 11.573,1035 1,1036 14.35,1037 2.58,1038 8.735,1039 10.366,1040 0.482,1041 16.861,1042 8.327,1043 12.953,1044 1,1045 16.121,1046 2.509,1047 10.023,1048 12.044,1049 1.078,1050 19.256,1051 9.567,1052 3.036,1053 1,1054 17.906,1055 2.136,1056 10.91,1057 13.08,1058 0.337,1059 21.379,1060 10.395,1061 2.996,1062 9.798,1063 19.701,1064 2.136,1065 12.083,1066 14.623,1067 0.852,1068 23.696,1069 11.519,1070 2.684,1071 9.694,1072 21.504,1073 3.932,1074 13.073,1075 15.783,1076 0.229,1077 25.894,1078 12.451,1079 2.621,1080 8.629,1081 23.313,1082 3.832,1083 14.196,1084 17.248,1085 0.663,1086 28.18,1087 13.525,1088 2.407,1089 7.751,1090 25.127,1091 3.588,1092 15.237,1093 18.484,1094 0.153,1095 30.414,1096 14.51,1097 2.154,1098 7.076,1099 26.946,1100 2.972,1101 16.339,1102 19.904,1103 0.509,1104 32.689,1105 15.564,1106 1.853,1107 6.212,1108 28.769,1109 2.926,1110 17.407,1111 21.185,1112 0.1,1113 34.941,1114 16.577,1115 17478,1116 27395,1117 26.929,1118 43.296,1119 57.799,1120 58.6,1121 58.603,1122 57.67,1123 57.679,1124 70.83,1125 10.569,1126 160.575,1127 54.012,1128 5.332,1129 5.252,1130 6.216,1131 5.089,1132 5.036,1133 6.932,1134 1.72,1135 16.656,1136 4.889,1137 11.462,1138 1.482,1139 1.503,1140 1.503,1141 1.479,1142 1.479,1143 1.816,1144 0.271,1145 4.117,1146 1.385,1147 4.028,1148 4.072,1149 3.976,1150 3.911,1151 6.457,1152 3.92,1153 3.94,1154 3.976,1155 3.884,1156 3.854,1157 5.023,1158 3.856,1159 3.789,1160 3.84,1161 3.738,1162 3.625,1163 4.757,1164 3.648,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.704,1170 3.538,1171 3.621,1172 3.665,1173 3.505,1174 3.437,1175 4.613,1176 3.446,1177 3.331,1178 3.409,1179 3.205,1180 3.104,1181 4.549,1182 3.116,1183 3.173,1184 3.238,1185 3.017,1186 2.958,1187 4.127,1188 2.958,1189 3.111,1190 3.206,1191 2.936,1192 2.941,1193 3.996,1194 2.91,1195 0.111,1196 0.083,1197 0.164,1198 0.102,1199 0.078,1200 4.332,1201 0.101,1202 3.252,1203 0.022,1204 6.414,1205 0.251,1206 3.985,1207 0.074,1208 3.036,1209 3.932,1210 0.86,1211 9.798,1212 2.889,1213 1.944,1214 1.91,1215 2.046,1216 2.09,1217 1.27,1218 2.078,1219 1.921,1220 1.891,1221 2.031,1222 2.038,1223 1.19,1224 2.036,1225 1.723,1226 1.673,1227 1.905,1228 1.933,1229 1.159,1230 1.927,1231 1.683,1232 1.624,1233 1.841,1234 1.911,1235 0.993,1236 1.895,1237 1.575,1238 1.525,1239 1.775,1240 1.77,1241 0.845,1242 1.774,1243 1.281,1244 1.205,1245 1.581,1246 1.553,1247 0.825,1248 1.563,1249 1.153,1250 1.072,1251 1.513,1252 1.413,1253 0.825,1254 1.429,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.623,1260 1.429,1261 4.369,1263 5.673,1265 7.182,1267 8.774,1269 10.41,1271 1.957,1276 9.481,1277 6.429,1278 3.427,1279 11.115,1282 6.699,1289 41.121,1290 103.952,1291 231.66,1292 300.918,1293 322.918,1294 325.673,1295 325.673,1296 47.996,1297 8.157,1298 86.22,1299 86.22,1300 30,1301 12.694,1302 4.248,1303 3.322,1304 52.031,1305 160,1306 170,1307 0.154,1308 249.612,1309 432.47,1310 600.814,1311 42689,1313 24.037,1314 0.687,1315 0.573,1316 24.037,1317 20.06,1318 17.191,1319 0.441,1320 0.309,1321 11.8,1322 16.32,1323 11.565,1324 9.493,1325 17.191,1326 12.035,1327 14.978,1328 0.283,1329 0.164,1330 14.978,1331 8.687,1332 12.889,1333 0.184,1334 0.091,1335 12.889,1336 6.376,1337 10.769,1338 0.118,1339 0.048,1340 10.769,1341 4.397,1342 9.041,1343 0.077,1344 0.026,1345 9.041,1346 3.02,1347 0.243,1348 108.896,1349 0.193,1350 32.163,1351 0.422,1352 184,1353 520.179,1354 204.49,1355 491.889,1356 680.95,1357 468,1358 215,1359 498.126,1360 236.187,1361 502.519,1362 737.43,1363 473,1364 6.943}
{0 CHEMBL1762529,1 1.574,2 12.838,3 3.496,4 12.225,5 145.136,6 7.136,7 0.439,8 4.372,9 4.494,10 3.906,11 3.81,12 5.415,13 3.811,14 4.939,15 5.127,16 4.235,17 4.191,18 5.932,19 4.175,20 5.138,21 5.346,22 4.297,23 4.387,24 6.07,25 4.327,26 5.208,27 5.431,28 4.289,29 4.461,30 6.115,31 4.357,32 5.311,33 5.561,34 4.352,35 4.471,36 6.214,37 4.381,38 5.284,39 5.51,40 4.35,41 4.437,42 6.235,43 4.367,44 5.327,45 5.578,46 4.307,47 4.43,48 6.254,49 4.34,50 5.333,51 5.599,52 4.238,53 4.405,54 6.192,55 4.298,56 0.057,57 1.064,58 16.002,59 6.047,60 11.526,61 8.436,62 0.562,63 1.665,64 31.583,65 9.484,66 40.6,67 13.536,68 0.611,69 2.017,70 38.418,71 11.981,72 41.861,73 17.827,74 0.418,75 2.152,76 40.498,77 15.158,78 41.501,79 21.981,80 0.607,81 2.257,82 46.827,83 14.828,84 57.798,85 22.81,86 0.719,87 2.25,88 45.307,89 13.219,90 57.069,91 20.107,92 0.855,93 2.241,94 48.404,95 13.778,96 71.946,97 21.625,98 0.732,99 2.184,100 49.132,101 14.621,102 62.026,103 22.638,104 14,105 56,106 0.246,107 0.557,108 0.729,109 0.768,110 0.774,111 0.774,112 3.642,113 0.919,114 -2.97,115 -2.97,116 -2.87,118 38,123 2,124 9,138 7,139 1,140 5,141 1,143 1,146 1,167 2,170 2,171 11,173 2,175 3,178 6,181 2,182 2,186 2,188 1,191 3,192 10,195 3,197 2,199 2,204 5,206 2,208 1,211 1,214 5,215 8,220 2,223 3,227 2,228 3,231 3,233 2,239 3,240 4,243 1,245 1,247 5,251 4,255 1,256 1,260 2,264 2638,265 25.635,266 25.635,267 25.635,268 25.635,269 25.635,270 23.617,271 49.105,272 15.336,273 26.664,274 20.192,275 20.192,276 20.192,277 20.192,278 20.192,279 16.864,280 88.019,281 7.225,282 21.727,283 4.576,284 2.587,285 1.492,286 1.243,287 1.204,288 1.204,289 4.351,294 1,295 1035,296 3.317,300 625.53,307 1.923,308 30.183,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 81,320 475,321 4.345,322 3.27,323 6.43,324 3.993,325 3.047,326 3.945,327 0.86,328 9.876,329 2.891,330 4.307,331 3.238,332 6.311,333 3.964,334 3.014,335 3.906,336 0.86,337 9.698,338 2.865,339 4.065,340 3.013,341 6.016,342 3.638,343 2.694,344 3.661,345 0.86,346 8.629,347 2.539,348 3.795,349 2.92,350 5.708,351 3.608,352 2.684,353 2.972,354 0.8,355 8.013,356 2.478,357 3.69,358 2.731,359 5.512,360 3.392,361 2.46,362 2.957,363 0.8,364 7.404,365 2.288,366 3.445,367 2.509,368 5.152,369 3.1,370 2.16,371 2.692,372 0.8,373 6.292,374 2.029,375 3.355,376 2.407,377 4.969,378 3.007,379 2.061,380 2.604,381 0.765,382 5.818,383 1.934,384 3.133,385 2.25,386 4.853,387 2.779,388 1.838,389 2.344,390 0.4,391 5.311,392 1.723,393 2.941,394 2.171,395 4.463,396 2.606,397 1.697,398 2.007,400 4.489,401 1.559,402 2.838,403 1.87,404 4.283,405 2.604,406 1.668,407 1.879,409 4.065,410 1.535,411 2.671,412 1.526,413 3.681,414 2.159,415 1.218,416 1.749,417 2.742,418 1.144,419 2.238,420 1.288,421 3.51,422 2.021,423 1.135,424 1.225,425 2.672,426 0.995,427 2.166,428 1.268,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2,436 1.256,437 3.441,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.256,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 17.233,452 0.466,453 0.721,454 0.019,455 46.5,456 1.257,457 20.5,458 0.554,459 26,460 0.703,461 34.572,462 0.934,463 41.567,464 0.585,465 39.242,466 1.061,467 9.454,468 0.256,469 8.669,470 0.234,471 0.077,473 0.302,478 0.964,479 1.647,480 0.823,481 1.302,482 0.93,483 1.074,484 1.432,485 1.014,486 0.999,487 0.841,488 1.038,489 0.842,490 1.103,491 1.079,492 1.072,493 0.951,494 0.81,495 0.987,496 0.513,497 1.187,498 0.951,499 1.239,500 0.74,501 1.186,502 0.695,503 1.113,504 0.847,505 0.988,506 0.62,507 0.941,508 1.096,509 1.127,510 1.117,511 1.057,512 0.948,513 1.072,514 0.927,515 1.045,516 1.018,517 0.959,518 1.141,519 0.985,520 0.849,521 0.99,522 0.944,523 0.961,524 0.886,525 0.959,526 7,527 0.214,528 2.889,529 2.375,530 1.671,531 1.556,532 0.728,533 0.389,534 0.251,535 0.363,536 21471,537 53924,538 2.133,539 47.9,541 31,543 1,544 2,549 1.784,550 2.037,551 3.664,552 0.189,558 111.767,559 1.574,560 3.563,561 4.658,562 4.907,563 4.945,564 4.945,565 3.04,566 4.236,567 5.183,568 3.855,569 2567.36,570 9.138,571 42145.3,576 436.632,577 1.241,578 5.159,579 0.171,580 0.005,581 0.052,582 0.04,583 0.029,584 0.026,585 0.012,586 0.007,587 0.005,588 0.008,589 0.355,590 0.33,591 0.63,592 0.662,593 203.511,594 -0.055,595 -0.373,596 0.077,597 -0.167,598 -0.068,599 -0.044,600 -0.179,601 0.123,602 -0.004,603 0.149,604 -0.058,605 0.105,606 -0.144,607 0.045,608 -0.112,609 0.056,610 -0.068,611 -0.01,612 0.106,613 -0.106,614 -0.039,615 -0.171,616 0.002,617 -0.144,618 0.065,619 -0.089,620 0.109,621 0.011,622 0.118,623 0.062,624 -0.103,625 -0.032,626 -0.138,627 -0.095,628 -0.054,629 -0.119,630 0.006,631 -0.01,632 -0.032,633 -0.011,634 -0.031,635 -0.024,636 0.011,637 -0.004,638 0.039,639 -0.005,640 -0.02,641 0.02,642 1.57,643 3.645,644 0.811,645 41.154,646 1.004,647 1.136,648 1.737,649 3.018,650 0.641,651 3.738,652 4.043,653 4.317,654 4.585,655 4.852,656 4.905,657 5.075,658 5.182,659 5.303,660 5.425,661 7.944,662 0.611,663 506.67,664 3.738,665 5.273,666 6.12,667 6.991,668 7.854,669 8.731,670 9.601,671 10.481,672 11.353,673 12.234,674 8.5,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,714 1,716 71,718 18,719 2,720 41,722 75,723 27,724 16,725 6,726 6,728 5,729 5,732 1,740 16,741 11,760 34,761 10,762 2,763 10,769 6,775 1,776 4,777 1,788 1,794 5,817 1,818 2,819 5,823 2,827 37,832 1,833 9,834 1,835 3,838 3,850 5.6,851 1,854 2,855 1,858 18.167,859 13.117,860 8.278,861 4.103,863 3.398,864 1.409,865 0.963,866 8.508,867 11.697,868 3.932,869 4.472,870 5.009,871 5.568,872 6.102,873 6.318,874 6.68,875 7.016,876 7.363,877 7.744,878 1,879 59,880 13.67,881 5.684,882 7.604,883 26.537,884 21.521,885 2.104,886 77.833,890 376.675,891 145.136,892 60.955,894 75.683,897 145.136,898 452.358,899 60.955,900 19.279,901 26.792,902 109.017,903 67.342,904 66.887,905 4.227,906 364.904,908 376.675,909 206.091,910 75.683,913 376.675,914 11,915 64.683,917 58.874,918 113.646,919 33.571,921 376.675,922 136.638,923 145.136,926 376.675,927 50.475,928 104.034,929 18.011,930 109.254,931 376.675,932 136.638,933 145.136,935 0.57,936 0.338,937 0.187,938 0.109,939 26,940 11,941 0.107,942 8,944 1,945 4.705,946 363.483,948 30,949 168.75,954 25.853,955 12.176,956 6.384,958 136.638,959 15.768,960 9.255,964 6.743,966 60.694,967 658.449,968 50,980 71.29,981 80.64,983 0.256,984 0.579,985 0.757,986 0.798,987 0.804,988 0.804,989 5.173,990 1.838,991 6.084,992 5.818,993 4.727,994 5.159,995 2.283,996 6.868,997 4.595,998 6.336,999 1.697,1000 7.62,1001 5.311,1002 4.205,1003 4.844,1004 0.766,1005 7.667,1006 4.021,1007 7.619,1008 1.668,1009 9.253,1010 4.489,1011 6.293,1012 7.253,1013 1.856,1014 10.768,1015 6.047,1016 8.934,1017 1.218,1018 10.942,1019 4.065,1020 6.594,1021 7.73,1022 0.653,1023 12.374,1024 6.292,1025 10.281,1026 1.135,1027 12.668,1028 2.742,1029 8.119,1030 9.623,1031 1.536,1032 14.967,1033 7.765,1034 11.649,1035 1,1036 14.419,1037 2.672,1038 8.815,1039 10.483,1040 0.482,1041 16.923,1042 8.404,1043 13.032,1044 1,1045 16.187,1046 2.509,1047 10.095,1048 12.139,1049 1.264,1050 19.321,1051 9.635,1052 3.047,1053 1,1054 17.969,1055 2.136,1056 10.99,1057 13.208,1058 0.337,1059 21.441,1060 10.476,1061 3.014,1062 9.876,1063 19.761,1064 2.136,1065 12.16,1066 14.738,1067 1.025,1068 23.761,1069 11.598,1070 2.694,1071 9.698,1072 21.561,1073 3.945,1074 13.155,1075 15.927,1076 0.229,1077 25.958,1078 12.54,1079 2.684,1080 8.629,1081 23.368,1082 3.906,1083 14.277,1084 17.386,1085 0.819,1086 28.248,1087 13.615,1088 2.46,1089 8.013,1090 25.18,1091 3.661,1092 15.323,1093 18.644,1094 0.153,1095 30.483,1096 14.608,1097 2.16,1098 7.404,1099 26.997,1100 2.972,1101 16.427,1102 20.062,1103 0.645,1104 32.761,1105 15.664,1106 2.061,1107 6.292,1108 28.818,1109 2.957,1110 17.498,1111 21.362,1112 0.1,1113 35.016,1114 16.684,1115 20148,1116 32069,1117 28.027,1118 45.512,1119 60.539,1120 61.872,1121 61.912,1122 60.454,1123 60.519,1124 73.836,1125 12.289,1126 169.798,1127 56.357,1128 5.345,1129 5.27,1130 6.232,1131 5.096,1132 5.047,1133 6.945,1134 1.72,1135 16.772,1136 4.891,1137 14.601,1138 1.477,1139 1.509,1140 1.51,1141 1.474,1142 1.476,1143 1.801,1144 0.3,1145 4.141,1146 1.375,1147 4.031,1148 4.074,1149 3.981,1150 3.912,1151 6.457,1152 3.923,1153 3.946,1154 3.978,1155 3.896,1156 3.854,1157 5.025,1158 3.86,1159 3.794,1160 3.843,1161 3.747,1162 3.625,1163 4.83,1164 3.65,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.757,1170 3.538,1171 3.621,1172 3.665,1173 3.505,1174 3.437,1175 4.613,1176 3.446,1177 3.331,1178 3.411,1179 3.206,1180 3.105,1181 4.551,1182 3.116,1183 3.312,1184 3.362,1185 3.162,1186 3.04,1187 4.378,1188 3.058,1189 3.111,1190 3.206,1191 2.963,1192 2.941,1193 4.076,1194 2.91,1195 0.106,1196 0.08,1197 0.157,1198 0.097,1199 0.074,1200 4.345,1201 0.096,1202 3.27,1203 0.021,1204 6.43,1205 0.241,1206 3.993,1207 0.071,1208 3.047,1209 3.945,1210 0.86,1211 9.876,1212 2.891,1213 1.943,1214 1.91,1215 2.045,1216 2.09,1217 1.27,1218 2.078,1219 1.917,1220 1.892,1221 2.014,1222 2.041,1223 1.19,1224 2.033,1225 1.723,1226 1.674,1227 1.905,1228 1.933,1229 1.161,1230 1.927,1231 1.683,1232 1.624,1233 1.839,1234 1.915,1235 0.993,1236 1.895,1237 1.575,1238 1.525,1239 1.775,1240 1.771,1241 0.845,1242 1.774,1243 1.281,1244 1.207,1245 1.588,1246 1.557,1247 0.825,1248 1.567,1249 1.239,1250 1.175,1251 1.577,1252 1.551,1253 0.825,1254 1.556,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.625,1260 1.429,1261 4.419,1263 5.727,1265 7.238,1267 8.834,1269 10.475,1271 3.542,1276 9.645,1277 6.277,1278 3.425,1279 16.53,1282 6.647,1289 43.363,1290 111.767,1291 252.941,1292 330.716,1293 348.367,1294 351.122,1295 351.122,1296 53.989,1297 8.299,1298 95.45,1299 95.45,1300 30,1301 12.771,1302 4.248,1303 3.322,1304 56.586,1305 178,1306 163,1307 0.152,1308 263.201,1309 458.56,1310 633.97,1311 51037,1313 25.614,1314 0.692,1315 0.578,1316 25.614,1317 21.391,1318 18.123,1319 0.442,1320 0.306,1321 12.282,1322 17.094,1323 12,1324 9.87,1325 18.123,1326 12.559,1327 15.793,1328 0.282,1329 0.162,1330 15.793,1331 9.057,1332 13.581,1333 0.184,1334 0.09,1335 13.581,1336 6.652,1337 11.3,1338 0.116,1339 0.047,1340 11.3,1341 4.579,1342 9.663,1343 0.076,1344 0.025,1345 9.663,1346 3.194,1347 0.241,1348 115.602,1349 0.189,1350 33.621,1351 0.415,1352 194,1353 575.915,1354 217.369,1355 538.32,1356 741.34,1357 512,1358 227,1359 538.671,1360 250.845,1361 543.331,1362 795.5,1363 509,1364 8.427}
{0 CHEMBL1762530,1 1.535,2 12.722,3 3.999,4 15.992,5 143.714,6 7.01,7 0.45,8 4.35,9 4.478,10 3.872,11 3.812,12 5.373,13 3.801,14 4.92,15 5.114,16 4.209,17 4.202,18 5.89,19 4.172,20 5.135,21 5.35,22 4.276,23 4.397,24 6.049,25 4.326,26 5.215,27 5.446,28 4.249,29 4.467,30 6.099,31 4.352,32 5.299,33 5.557,34 4.296,35 4.477,36 6.156,37 4.369,38 5.283,39 5.53,40 4.305,41 4.433,42 6.187,43 4.347,44 5.293,45 5.546,46 4.268,47 4.405,48 6.212,49 4.31,50 5.289,51 5.556,52 4.177,53 4.369,54 6.133,55 4.26,56 0.031,57 1.06,58 15.986,59 6.029,60 10.475,61 8.544,62 0.456,63 1.679,64 31.019,65 9.622,66 35.717,67 13.947,68 0.512,69 2.044,70 38.459,71 12.214,72 40.068,73 18.384,74 0.36,75 2.184,76 41.159,77 15.162,78 42.121,79 22.248,80 0.382,81 2.276,82 45.976,83 15.186,84 47.509,85 23.411,86 0.55,87 2.266,88 45.621,89 13.553,90 51.433,91 21.015,92 0.749,93 2.202,94 46.79,95 13.47,96 67.668,97 21.204,98 0.56,99 2.137,100 46.826,101 13.76,102 53.897,103 21.413,104 11,105 55,106 0.241,107 0.545,108 0.72,109 0.759,110 0.77,111 0.77,112 3.616,113 0.934,114 -3.7,115 -3.66,116 -3.49,118 38.6,119 1,123 1,124 9,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 2,171 9,173 2,175 3,178 8,181 2,182 3,186 2,188 4,191 2,192 9,195 3,197 3,199 3,204 7,206 1,208 1,211 3,214 4,215 7,220 3,223 3,227 2,228 5,231 3,233 4,239 2,240 4,245 1,247 5,251 4,255 1,256 1,260 6,264 2444,265 24.817,266 24.817,267 24.817,268 24.817,269 24.817,270 22.719,271 45.385,272 14.82,273 25.664,274 19.732,275 19.732,276 19.732,277 19.732,278 19.732,279 16.412,280 79.852,281 7.031,282 21.077,283 4.595,284 2.653,285 1.542,286 1.289,287 1.222,288 1.222,289 4.324,294 1,295 1002,296 3.162,300 603.298,307 1.88,308 26.636,311 1,312 0.67,313 1,314 1,315 1,316 1,317 1,318 0.95,319 78,320 458,321 4.39,322 3.319,323 6.596,324 4.046,325 3.095,326 3.992,327 0.86,328 10.37,329 2.955,330 4.318,331 3.241,332 6.311,333 3.977,334 3.023,335 3.92,336 0.86,337 9.701,338 2.886,339 4.052,340 3.013,341 6.016,342 3.619,343 2.684,344 3.652,345 0.8,346 8.629,347 2.519,348 3.795,349 2.847,350 5.778,351 3.608,352 2.677,353 2.972,354 0.8,355 8.032,356 2.478,357 3.658,358 2.686,359 5.474,360 3.36,361 2.413,362 2.941,363 0.8,364 7.212,365 2.277,366 3.499,367 2.47,368 5.196,369 3.167,370 2.198,371 2.777,372 0.765,373 6.385,374 2.13,375 3.309,376 2.341,377 5.009,378 2.967,379 2.024,380 2.536,381 0.4,382 5.835,383 1.897,384 2.965,385 2.25,386 4.489,387 2.688,388 1.755,389 2.051,391 4.543,392 1.632,393 2.862,394 2.082,395 4.377,396 2.604,397 1.697,398 1.978,400 4.065,401 1.535,402 2.838,403 1.645,404 4.283,405 2.442,406 1.474,407 1.879,409 4.012,410 1.423,411 2.655,412 1.494,413 3.622,414 2.131,415 1.19,416 1.727,417 2.721,418 1.118,419 2.238,420 1.288,421 3.51,422 2.021,423 1.134,424 1.225,425 2.646,426 0.995,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2.041,436 1.256,437 3.436,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.208,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 16.9,452 0.469,453 0.742,454 0.021,455 45,456 1.25,457 20,458 0.556,459 25,460 0.694,461 34.308,462 0.953,463 40.1,464 0.573,465 36.941,466 1.026,467 9.025,468 0.251,469 8.576,470 0.238,471 0.079,473 0.308,478 0.967,479 1.607,480 0.843,481 1.262,482 0.947,483 1.066,484 1.388,485 1.027,486 0.988,487 0.864,488 0.999,489 0.864,490 1.092,491 1.105,492 1.071,493 0.973,494 0.774,495 1.004,496 0.572,497 1.14,498 0.997,499 1.191,500 0.751,501 1.164,502 0.652,503 1.138,504 0.867,505 1.027,506 0.661,507 0.979,508 1.004,509 1.083,510 1.04,511 1.011,512 0.843,513 1.012,514 0.982,515 1.065,516 1.026,517 0.963,518 1.178,519 0.985,520 1.039,521 0.995,522 1.014,523 0.958,524 0.999,525 0.965,526 6.5,527 0.231,528 3.333,529 2.25,530 1.711,531 1.382,532 0.75,533 0.363,534 0.267,535 0.307,536 19918,537 47415,538 2.137,539 48.6,540 3,541 28,543 1,544 2,549 1.778,550 2.038,551 3.64,552 0.176,558 107.429,559 1.535,560 3.477,561 4.588,562 4.84,563 4.908,564 4.908,565 3.03,566 4.139,567 5.144,568 3.815,569 2403.19,570 9.06,571 38470.7,576 429.05,577 1.256,578 5.118,579 0.162,580 0.006,581 0.061,582 0.039,583 0.031,584 0.024,585 0.013,586 0.007,587 0.005,588 0.007,589 0.355,590 0.33,591 0.75,592 0.586,593 196.021,594 -0.043,595 -0.34,596 0.075,597 -0.135,598 -0.077,599 -0.032,600 -0.132,601 0.117,602 0.01,603 0.131,604 -0.042,605 0.092,606 -0.118,607 0.014,608 -0.103,609 0.032,610 -0.046,611 -0.024,612 0.06,613 -0.068,614 -0.071,615 -0.142,616 -0.005,617 -0.135,618 0.036,619 -0.117,620 0.083,621 -0.023,622 0.044,623 0.03,624 -0.065,625 -0.011,626 -0.056,627 -0.057,628 -0.025,629 -0.054,630 0.033,631 -0.031,632 -0.029,633 -0.019,634 -0.013,635 -0.031,636 -0.08,637 0.004,638 -0.019,639 -0.016,640 -0.087,641 -0.005,642 1.497,643 3.572,644 0.833,645 39,646 0.999,647 1.135,648 2.468,649 6.091,650 0.644,651 3.714,652 4.025,653 4.304,654 4.564,655 4.828,656 4.868,657 5.03,658 5.153,659 5.288,660 5.389,661 7.721,662 0.609,663 490.67,664 3.714,665 5.252,666 6.103,667 6.974,668 7.84,669 8.718,670 9.59,671 10.47,672 11.345,673 12.227,674 8.6,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,716 70,718 18,719 2,720 40,722 74,723 27,724 16,725 6,726 6,728 5,729 5,732 2,740 16,741 11,760 34,761 9,762 2,763 9,769 6,775 1,776 3,777 1,788 1,794 5,817 1,818 2,819 5,823 2,827 36,832 1,833 9,834 1,835 2,838 3,850 4.3,851 1,854 2,858 17.667,859 12.95,860 7.972,861 4.151,863 3.394,864 1.412,865 0.97,866 7.994,867 11.624,868 3.912,869 4.46,870 4.999,871 5.545,872 6.087,873 6.28,874 6.634,875 6.991,876 7.348,877 7.699,878 1,879 58,880 13.313,881 5.554,882 7.565,883 26.002,884 21.281,885 2.065,886 74.333,890 376.675,891 141.02,892 60.955,894 64.683,897 141.02,898 441.358,899 60.955,900 17.222,901 26.792,902 109.017,903 67.342,904 53.829,905 4.227,906 364.904,908 376.675,909 201.975,910 64.683,913 376.675,915 64.683,917 67.699,918 100.705,919 33.571,921 376.675,922 125.638,923 141.02,926 376.675,927 48.418,928 101.976,929 18.011,930 98.254,931 376.675,932 125.638,933 141.02,935 0.575,936 0.34,937 0.186,938 0.107,939 26,940 11,941 0.095,942 7,944 1,945 4.626,946 351.687,948 30,949 162.117,954 24.932,955 11.542,956 5.99,958 125.638,959 16.165,960 9.294,964 7.533,966 60.694,967 643.333,968 49,980 69.963,981 79.431,983 0.25,984 0.567,985 0.748,986 0.79,987 0.801,988 0.801,989 5.156,990 1.755,991 6.071,992 5.835,993 4.71,994 5.147,995 2.12,996 6.862,997 4.59,998 6.324,999 1.697,1000 7.613,1001 4.543,1002 4.205,1003 4.844,1004 0.766,1005 7.692,1006 4.042,1007 7.61,1008 1.474,1009 9.255,1010 4.065,1011 6.282,1012 7.249,1013 1.669,1014 10.8,1015 6.058,1016 8.929,1017 1.19,1018 10.956,1019 4.012,1020 6.608,1021 7.75,1022 0.653,1023 12.453,1024 6.339,1025 10.28,1026 1.134,1027 12.695,1028 2.721,1029 8.126,1030 9.636,1031 1.345,1032 15.059,1033 7.803,1034 11.654,1035 1,1036 14.46,1037 2.646,1038 8.846,1039 10.521,1040 0.482,1041 17.062,1042 8.477,1043 13.044,1044 1,1045 16.244,1046 2.509,1047 10.124,1048 12.171,1049 1.078,1050 19.483,1051 9.706,1052 3.095,1053 1,1054 18.042,1055 2.136,1056 11.04,1057 13.261,1058 0.337,1059 21.648,1060 10.576,1061 3.023,1062 10.37,1063 19.85,1064 2.136,1065 12.213,1066 14.789,1067 0.852,1068 23.998,1069 11.704,1070 2.684,1071 9.701,1072 21.668,1073 3.992,1074 13.226,1075 15.995,1076 0.229,1077 26.239,1078 12.671,1079 2.677,1080 8.629,1081 23.492,1082 3.92,1083 14.357,1084 17.454,1085 0.663,1086 28.564,1087 13.757,1088 2.413,1089 8.032,1090 25.323,1091 3.652,1092 15.418,1093 18.728,1094 0.153,1095 30.842,1096 14.773,1097 2.198,1098 7.212,1099 27.158,1100 2.972,1101 16.532,1102 20.149,1103 0.509,1104 33.159,1105 15.844,1106 2.024,1107 6.385,1108 28.999,1109 2.941,1110 17.617,1111 21.463,1112 0.1,1113 35.457,1114 16.885,1115 18631,1116 28880,1117 27.334,1118 45.057,1119 59.465,1120 60.164,1121 60.727,1122 59.292,1123 59.303,1124 72.656,1125 10.569,1126 167.312,1127 55.642,1128 5.39,1129 5.319,1130 6.398,1131 5.15,1132 5.095,1133 6.992,1134 1.72,1135 17.479,1136 4.955,1137 14.186,1138 1.487,1139 1.504,1140 1.518,1141 1.482,1142 1.483,1143 1.816,1144 0.264,1145 4.183,1146 1.391,1147 4.034,1148 4.077,1149 3.983,1150 3.925,1151 6.457,1152 3.931,1153 3.953,1154 3.988,1155 3.899,1156 3.867,1157 5.022,1158 3.871,1159 3.794,1160 3.847,1161 3.745,1162 3.627,1163 4.757,1164 3.651,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.694,1170 3.538,1171 3.621,1172 3.665,1173 3.505,1174 3.437,1175 4.613,1176 3.446,1177 3.36,1178 3.425,1179 3.229,1180 3.178,1181 4.549,1182 3.176,1183 3.255,1184 3.344,1185 3.093,1186 3.031,1187 4.128,1188 3.034,1189 3.111,1190 3.206,1191 2.944,1192 2.941,1193 3.996,1194 2.91,1195 0.11,1196 0.083,1197 0.165,1198 0.101,1199 0.077,1200 4.39,1201 0.1,1202 3.319,1203 0.022,1204 6.596,1205 0.259,1206 4.046,1207 0.074,1208 3.095,1209 3.992,1210 0.86,1211 10.37,1212 2.955,1213 1.953,1214 1.923,1215 2.056,1216 2.091,1217 1.27,1218 2.08,1219 1.933,1220 1.901,1221 2.041,1222 2.049,1223 1.207,1224 2.049,1225 1.726,1226 1.675,1227 1.905,1228 1.933,1229 1.19,1230 1.927,1231 1.683,1232 1.624,1233 1.843,1234 1.917,1235 0.993,1236 1.9,1237 1.575,1238 1.525,1239 1.776,1240 1.77,1241 0.845,1242 1.774,1243 1.332,1244 1.272,1245 1.616,1246 1.57,1247 0.825,1248 1.582,1249 1.238,1250 1.143,1251 1.576,1252 1.504,1253 0.825,1254 1.535,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.734,1260 1.429,1261 4.394,1263 5.707,1265 7.223,1267 8.825,1269 10.471,1271 4.031,1276 9.572,1277 6.423,1278 3.442,1279 11.132,1282 6.742,1289 42.648,1290 107.429,1291 243.359,1292 321.134,1293 338.785,1294 343.54,1295 343.54,1296 51.316,1297 8.23,1298 86.22,1299 86.22,1300 30,1301 12.763,1302 4.248,1303 3.322,1304 54.274,1305 168,1306 168,1307 0.155,1308 259.205,1309 449.77,1310 624.219,1311 46730,1313 24.907,1314 0.692,1315 0.583,1316 24.907,1317 20.983,1318 17.602,1319 0.44,1320 0.311,1321 12.217,1322 16.732,1323 11.912,1324 9.804,1325 17.602,1326 12.452,1327 15.505,1328 0.282,1329 0.166,1330 15.505,1331 9.138,1332 13.364,1333 0.183,1334 0.092,1335 13.364,1336 6.713,1337 11.104,1338 0.117,1339 0.049,1340 11.104,1341 4.639,1342 9.361,1343 0.075,1344 0.026,1345 9.361,1346 3.217,1347 0.244,1348 111.36,1349 0.191,1350 32.841,1351 0.423,1352 190,1353 528.179,1354 210.49,1355 500.518,1356 694.02,1357 476,1358 223,1359 509.126,1360 244.354,1361 514.897,1362 756.02,1363 484,1364 7.921}
{0 CHEMBL1762531,1 1.647,2 12.778,3 4.177,4 17.449,5 143.478,6 7.628,7 0.45,8 4.317,9 4.438,10 3.907,11 3.792,12 5.361,13 3.786,14 4.884,15 5.067,16 4.261,17 4.185,18 5.889,19 4.159,20 5.108,21 5.318,22 4.348,23 4.382,24 6.051,25 4.311,26 5.159,27 5.377,28 4.303,29 4.429,30 6.121,31 4.317,32 5.229,33 5.483,34 4.291,35 4.409,36 6.114,37 4.31,38 5.195,39 5.431,40 4.326,41 4.374,42 6.123,43 4.297,44 5.209,45 5.448,46 4.319,47 4.368,48 6.169,49 4.28,50 5.231,51 5.485,52 4.241,53 4.354,54 6.108,55 4.25,56 0.068,57 1.011,58 14.062,59 5.748,60 10.348,61 7.748,62 0.511,63 1.604,64 29.096,65 9.323,66 36.181,67 12.733,68 0.617,69 1.932,70 38.694,71 12.091,72 40.358,73 17.226,74 0.511,75 2.017,76 42.857,77 14.849,78 53.281,79 20.815,80 0.521,81 2.11,82 44.364,83 14.251,84 49.589,85 21.38,86 0.611,87 2.084,88 41.515,89 12.692,90 47.115,91 18.671,92 0.833,93 2.032,94 45.914,95 12.784,96 65.659,97 19.112,98 0.607,99 2.015,100 45.628,101 13.965,102 54.009,103 20.413,104 11,105 55,106 0.261,107 0.568,108 0.721,109 0.762,110 0.769,111 0.769,112 3.616,113 0.939,114 -3.7,115 -3.66,116 -3.49,118 38.8,123 1,124 9,138 7,139 1,140 5,141 1,143 1,146 1,167 2,170 2,171 9,173 2,175 3,178 7,181 2,182 2,186 1,188 4,191 2,192 8,195 3,197 4,199 2,204 7,206 1,208 1,211 2,214 4,215 6,220 2,223 2,227 2,228 5,231 3,233 3,235 1,239 2,240 3,247 5,251 4,252 1,255 1,256 1,257 1,260 4,264 2472,265 24.817,266 24.817,267 24.817,268 24.817,269 24.817,270 22.719,271 45.048,272 14.798,273 25.778,274 19.726,275 19.726,276 19.726,277 19.726,278 19.726,279 16.409,280 79.643,281 7.003,282 21.312,283 4.419,284 2.476,285 1.51,286 1.246,287 1.205,288 1.205,289 4.324,290 1,294 1,295 1006,296 3.162,300 608.323,307 1.926,308 30.195,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 78.333,320 460,321 4.349,322 3.307,323 6.431,324 3.991,325 3.047,326 3.959,327 0.86,328 9.858,329 2.889,330 4.312,331 3.242,332 6.311,333 3.963,334 3.015,335 3.918,336 0.86,337 9.698,338 2.846,339 4.105,340 3.104,341 6.016,342 3.68,343 2.752,344 3.687,345 0.8,346 8.629,347 2.537,348 3.795,349 3.013,350 6.009,351 3.608,352 2.684,353 3.048,354 0.8,355 8.51,356 2.478,357 3.747,358 2.755,359 5.574,360 3.424,361 2.504,362 2.972,363 0.8,364 7.585,365 2.299,366 3.484,367 2.419,368 5.227,369 3.13,370 2.189,371 2.744,372 0.765,373 6.449,374 2.048,375 3.187,376 2.25,377 4.9,378 2.815,379 1.876,380 2.414,381 0.4,382 5.467,383 1.755,384 2.945,385 2.207,386 4.464,387 2.628,388 1.697,389 2.022,391 4.497,392 1.578,393 2.883,394 2.108,395 4.283,396 2.604,397 1.694,398 2.007,400 4.065,401 1.535,402 2.838,403 1.907,404 4.208,405 2.46,406 1.531,407 1.879,409 3.837,410 1.372,411 2.678,412 1.53,413 3.713,414 2.169,415 1.229,416 1.758,417 2.76,418 1.148,419 2.238,420 1.288,421 3.511,422 2.021,423 1.136,424 1.225,425 2.681,426 0.995,427 2.166,428 1.274,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2.068,436 1.256,437 3.448,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.256,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 17.114,452 0.475,453 0.742,454 0.021,455 45.25,456 1.257,457 20,458 0.556,459 25.25,460 0.701,461 33.974,462 0.944,463 39.886,464 0.595,465 36.965,466 1.027,467 9.057,468 0.252,469 8.544,470 0.237,471 0.09,473 0.304,478 0.921,479 1.608,480 0.692,481 1.171,482 0.872,483 1.008,484 1.32,485 1.046,486 0.844,487 0.819,488 0.942,489 0.846,490 1.086,491 1.053,492 0.975,493 0.887,494 0.78,495 0.945,496 0.586,497 1.158,498 1.065,499 1.254,500 0.742,501 1.204,502 0.629,503 1.116,504 0.732,505 0.975,506 0.638,507 0.946,508 0.966,509 1.095,510 0.848,511 0.944,512 0.795,513 0.979,514 0.918,515 1.054,516 1.031,517 0.981,518 0.943,519 1.002,520 0.951,521 1.039,522 0.875,523 0.967,524 0.912,525 0.979,526 6.5,527 0.248,528 3.556,529 2.25,530 1.551,531 1.382,532 0.769,533 0.391,534 0.28,535 0.334,536 20150,537 54485,538 2.137,539 46.3,541 28,543 1,544 2,549 1.777,550 2.038,551 3.658,552 0.204,558 110.372,559 1.647,560 3.59,561 4.556,562 4.82,563 4.861,564 4.861,565 3.055,566 4.139,567 5.143,568 3.843,569 2420.93,570 9.056,571 38905,576 406.428,577 1.256,578 5.118,579 0.162,580 0.007,581 0.065,582 0.039,583 0.029,584 0.025,585 0.014,586 0.007,587 0.006,588 0.008,589 0.36,590 0.33,591 0.75,592 0.586,593 196.424,594 -0.064,595 -0.351,596 0.046,597 -0.128,598 -0.077,599 -0.032,600 -0.159,601 0.102,602 -0.002,603 0.131,604 -0.051,605 0.078,606 -0.137,607 0.049,608 -0.063,609 0.085,610 -0.049,611 0.014,612 0.094,613 -0.103,614 -0.101,615 -0.215,616 0.061,617 -0.182,618 0.051,619 -0.097,620 0.082,621 -0.012,622 0.044,623 0.049,624 -0.078,625 -0.013,626 -0.023,627 -0.021,628 -0.036,629 -0.036,630 0.027,631 0.003,632 -0.067,633 -0.041,634 0.015,635 -0.053,636 -0.063,637 -0.041,638 0.007,639 -0.021,640 -0.062,641 -0.007,642 1.623,643 3.577,644 0.833,645 39.778,646 1.006,647 1.134,648 2.468,649 6.091,650 0.659,651 3.714,652 4.025,653 4.304,654 4.554,655 4.812,656 4.868,657 5.037,658 5.153,659 5.283,660 5.394,661 7.832,662 0.626,663 511.08,664 3.714,665 5.252,666 6.103,667 6.973,668 7.837,669 8.713,670 9.583,671 10.461,672 11.334,673 12.213,674 9,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,715 1,716 67,718 18,719 2,720 40,722 71,723 26,724 16,725 6,726 6,728 5,729 5,730 1,732 1,740 16,741 10,760 31,761 9,762 2,763 10,764 1,769 6,775 1,776 3,777 1,788 1,794 5,817 1,818 2,819 5,823 1,824 1,827 36,832 1,833 9,834 1,835 2,838 3,849 1,850 4.5,851 1,854 2,858 17.667,859 12.093,860 7.972,861 3.937,863 3.361,864 1.408,865 0.973,866 8.213,867 11.591,868 3.912,869 4.46,870 4.999,871 5.539,872 6.077,873 6.28,874 6.643,875 6.995,876 7.346,877 7.711,878 1,879 58,880 13.299,881 5.581,882 7.623,883 25.788,884 21.115,885 2.123,886 76.444,890 341.362,891 132.51,892 60.955,893 39.149,894 64.683,897 132.51,898 445.194,899 60.955,900 8.396,901 26.792,902 109.017,903 67.342,904 54.144,905 4.227,906 329.591,907 39.149,908 341.362,909 193.465,910 64.683,911 39.149,913 341.362,915 64.683,917 58.874,918 101.02,919 72.72,921 341.362,922 125.638,923 171.659,926 341.362,927 48.733,928 93.15,929 18.011,930 137.403,931 341.362,932 125.638,933 171.659,935 0.575,936 0.341,937 0.185,938 0.103,939 26,940 11,941 0.099,942 7,944 1,945 4.643,946 350.255,948 30,949 162.117,954 25.206,955 11.73,956 6.108,958 125.638,959 15.648,960 9.213,964 6.525,966 60.694,967 638.659,968 49,980 67.403,981 75.96,983 0.272,984 0.592,985 0.751,986 0.795,987 0.801,988 0.801,989 5.156,990 1.697,991 6.071,992 5.467,993 4.71,994 5.147,995 2.12,996 6.86,997 4.565,998 6.324,999 1.694,1000 7.613,1001 4.497,1002 4.205,1003 4.844,1004 0.766,1005 7.684,1006 3.977,1007 7.61,1008 1.531,1009 9.255,1010 4.065,1011 6.282,1012 7.249,1013 1.669,1014 10.782,1015 6.014,1016 8.929,1017 1.229,1018 10.954,1019 3.837,1020 6.608,1021 7.75,1022 0.653,1023 12.414,1024 6.257,1025 10.28,1026 1.136,1027 12.691,1028 2.76,1029 8.124,1030 9.635,1031 1.345,1032 15.001,1033 7.735,1034 11.653,1035 1,1036 14.452,1037 2.681,1038 8.84,1039 10.517,1040 0.482,1041 16.97,1042 8.375,1043 13.042,1044 1,1045 16.23,1046 2.509,1047 10.114,1048 12.166,1049 1.078,1050 19.364,1051 9.608,1052 3.047,1053 1,1054 18.021,1055 2.136,1056 11.021,1057 13.251,1058 0.337,1059 21.487,1060 10.446,1061 3.015,1062 9.858,1063 19.82,1064 2.136,1065 12.188,1066 14.777,1067 0.852,1068 23.802,1069 11.568,1070 2.752,1071 9.698,1072 21.627,1073 3.959,1074 13.189,1075 15.977,1076 0.229,1077 25.997,1078 12.507,1079 2.684,1080 8.629,1081 23.439,1082 3.918,1083 14.31,1084 17.433,1085 0.663,1086 28.282,1087 13.58,1088 2.504,1089 8.51,1090 25.255,1091 3.687,1092 15.357,1093 18.7,1094 0.153,1095 30.514,1096 14.57,1097 2.189,1098 7.585,1099 27.075,1100 3.048,1101 16.46,1102 20.117,1103 0.509,1104 32.787,1105 15.624,1106 1.876,1107 6.449,1108 28.899,1109 2.972,1110 17.531,1111 21.423,1112 0.1,1113 35.038,1114 16.64,1115 18847,1116 31156,1117 27.334,1118 44.154,1119 59.471,1120 60.691,1121 60.74,1122 59.492,1123 59.312,1124 72.664,1125 10.569,1126 167.303,1127 54.83,1128 5.349,1129 5.307,1130 6.233,1131 5.095,1132 5.047,1133 6.959,1134 1.72,1135 16.731,1136 4.889,1137 14.364,1138 1.487,1139 1.517,1140 1.519,1141 1.487,1142 1.483,1143 1.817,1144 0.264,1145 4.183,1146 1.371,1147 4.029,1148 4.072,1149 4.041,1150 3.917,1151 6.457,1152 3.924,1153 3.943,1154 3.976,1155 3.945,1156 3.863,1157 5.028,1158 3.864,1159 3.792,1160 3.84,1161 3.783,1162 3.628,1163 4.895,1164 3.652,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.757,1170 3.538,1171 3.621,1172 3.665,1173 3.512,1174 3.438,1175 4.613,1176 3.446,1177 3.333,1178 3.409,1179 3.378,1180 3.112,1181 4.552,1182 3.123,1183 3.176,1184 3.237,1185 3.126,1186 2.964,1187 4.371,1188 2.963,1189 3.111,1190 3.206,1191 2.993,1192 2.941,1193 4.013,1194 2.91,1195 0.109,1196 0.083,1197 0.161,1198 0.1,1199 0.076,1200 4.349,1201 0.099,1202 3.307,1203 0.022,1204 6.431,1205 0.246,1206 3.991,1207 0.072,1208 3.047,1209 3.959,1210 0.86,1211 9.858,1212 2.889,1213 1.943,1214 1.91,1215 2.044,1216 2.089,1217 1.27,1218 2.078,1219 1.917,1220 1.892,1221 2.001,1222 2.031,1223 1.19,1224 2.026,1225 1.722,1226 1.674,1227 1.905,1228 1.933,1229 1.159,1230 1.927,1231 1.683,1232 1.624,1233 1.835,1234 1.903,1235 0.993,1236 1.889,1237 1.574,1238 1.525,1239 1.772,1240 1.769,1241 0.843,1242 1.773,1243 1.279,1244 1.205,1245 1.578,1246 1.55,1247 0.825,1248 1.56,1249 1.153,1250 1.072,1251 1.513,1252 1.408,1253 0.825,1254 1.429,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.623,1260 1.429,1261 4.394,1263 5.707,1265 7.223,1267 8.824,1269 10.467,1271 1.923,1272 6.165,1276 9.577,1277 6.228,1278 3.415,1279 11.113,1282 6.636,1289 41.949,1290 110.372,1291 240.538,1292 305.267,1293 322.918,1294 325.673,1295 325.673,1296 53.646,1297 8.23,1298 86.22,1299 86.22,1300 30,1301 12.751,1302 4.248,1303 3.322,1304 54.312,1305 170,1306 164,1307 0.153,1308 257.945,1309 447.68,1310 621.146,1311 46730,1312 1.5,1313 24.907,1314 0.692,1315 0.587,1316 25.407,1317 21.116,1318 17.602,1319 0.44,1320 0.313,1321 11.936,1322 16.438,1323 11.668,1324 9.549,1325 17.89,1326 12.519,1327 15.496,1328 0.282,1329 0.167,1330 15.867,1331 9.2,1332 13.415,1333 0.184,1334 0.094,1335 13.795,1336 6.851,1337 11.086,1338 0.118,1339 0.049,1340 11.355,1341 4.601,1342 9.209,1343 0.075,1344 0.026,1345 9.403,1346 3.148,1347 0.241,1348 114.535,1349 0.191,1350 32.915,1351 0.416,1352 190,1353 554.383,1354 226.01,1355 553.828,1356 752.88,1357 524,1358 223,1359 525.989,1360 255.897,1361 539.865,1362 793.79,1363 508,1364 7.886}
{0 CHEMBL1762532,1 1.519,2 12.811,3 4.377,4 19.154,5 148.132,6 6.914,7 0.439,8 4.387,9 4.516,10 3.896,11 3.85,12 5.399,13 3.835,14 4.961,15 5.157,16 4.245,17 4.242,18 5.93,19 4.209,20 5.189,21 5.404,22 4.311,23 4.44,24 6.118,25 4.367,26 5.26,27 5.492,28 4.284,29 4.516,30 6.143,31 4.398,32 5.353,33 5.614,34 4.331,35 4.526,36 6.199,37 4.412,38 5.327,39 5.576,40 4.349,41 4.481,42 6.223,43 4.395,44 5.337,45 5.58,46 4.312,47 4.474,48 6.266,49 4.373,50 5.395,51 5.679,52 4.215,53 4.441,54 6.209,55 4.319,56 0.04,57 1.098,58 16.902,59 6.356,60 12.077,61 9.074,62 0.448,63 1.741,64 32.546,65 10.178,66 36.669,67 14.865,68 0.576,69 2.126,70 41.11,71 12.922,72 48.572,73 19.428,74 0.372,75 2.283,76 43.233,77 16.029,78 44.53,79 23.548,80 0.394,81 2.388,82 48.65,83 16.158,84 50.18,85 24.982,86 0.591,87 2.369,88 47.931,89 14.105,90 53.984,91 22.052,92 0.725,93 2.334,94 48.505,95 14.437,96 68.677,97 22.592,98 0.641,99 2.315,100 52.589,101 15.3,102 61.619,103 24.144,104 18,105 57,106 0.236,107 0.541,108 0.727,109 0.765,110 0.775,111 0.775,112 3.642,113 0.944,114 -3.9,115 -3.85,116 -3.66,118 38.4,119 2,123 1,124 8,126 1,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 2,171 9,173 2,175 4,178 9,181 2,182 3,186 2,188 6,191 2,192 9,195 3,197 3,199 4,204 8,206 1,208 1,211 4,214 4,215 7,220 3,223 4,227 2,228 6,231 3,233 4,235 1,239 2,240 4,245 1,247 5,251 4,252 1,255 1,256 1,257 1,260 6,264 2619,265 25.154,266 25.154,267 25.154,268 25.154,269 25.154,270 23.08,271 46.191,272 14.96,273 26.032,274 20.272,275 20.272,276 20.272,277 20.272,278 20.272,279 16.992,280 81.698,281 7.158,282 21.654,283 4.671,284 2.71,285 1.516,286 1.274,287 1.209,288 1.209,289 4.348,294 1,295 1033,296 3.464,300 623.202,307 1.901,308 27.782,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 80,320 474,321 4.402,322 3.339,323 6.604,324 4.062,325 3.108,326 4.005,327 0.86,328 10.401,329 2.978,330 4.319,331 3.242,332 6.311,333 3.978,334 3.024,335 3.922,336 0.86,337 9.701,338 2.886,339 4.074,340 3.046,341 6.016,342 3.686,343 2.736,344 3.66,345 0.8,346 8.629,347 2.592,348 3.795,349 3.013,350 5.937,351 3.608,352 2.684,353 3.042,354 0.8,355 8.319,356 2.478,357 3.76,358 2.788,359 5.689,360 3.477,361 2.535,362 2.972,363 0.8,364 7.69,365 2.386,366 3.566,367 2.533,368 5.444,369 3.263,370 2.305,371 2.822,372 0.765,373 6.968,374 2.199,375 3.323,376 2.353,377 5.016,378 2.982,379 2.048,380 2.547,381 0.4,382 5.883,383 1.904,384 2.966,385 2.25,386 4.489,387 2.688,388 1.756,389 2.052,391 4.543,392 1.633,393 2.862,394 2.084,395 4.378,396 2.604,397 1.697,398 1.978,400 4.065,401 1.535,402 2.838,403 1.647,404 4.283,405 2.442,406 1.474,407 1.879,409 4.013,410 1.423,411 2.655,412 1.513,413 3.807,414 2.19,415 1.235,416 1.727,417 2.916,418 1.171,419 2.447,420 1.478,421 3.612,422 2.131,423 1.19,424 1.44,425 2.719,426 1.118,427 2.238,428 1.288,429 3.51,430 2.021,431 1.134,432 1.225,433 2.643,434 0.995,435 2.166,436 1.256,437 3.472,438 1.952,439 1,440 1.132,441 2.509,442 0.946,443 2.031,444 1.256,445 3.435,446 1.952,447 1,448 1,449 2.136,450 0.946,451 17.4,452 0.47,453 0.87,454 0.024,455 45.5,456 1.23,457 20,458 0.541,459 25.5,460 0.689,461 36.968,462 0.999,463 41.4,464 0.567,465 37.864,466 1.023,467 8.966,468 0.242,469 9.009,470 0.243,471 0.105,473 0.328,478 0.965,479 1.605,480 0.858,481 1.269,482 0.979,483 1.079,484 1.356,485 1.044,486 0.964,487 0.887,488 0.934,489 0.869,490 1.225,491 1.078,492 1.094,493 0.948,494 1.087,495 0.989,496 0.569,497 1.152,498 1.008,499 1.204,500 0.761,501 1.176,502 0.635,503 1.149,504 0.859,505 1.034,506 0.656,507 0.98,508 1.033,509 1.048,510 1.033,511 0.97,512 0.832,513 0.979,514 0.977,515 1.166,516 1.09,517 1.075,518 1.19,519 1.087,520 0.996,521 0.915,522 0.956,523 0.878,524 0.967,525 0.892,526 7,527 0.264,528 3.778,529 2.375,530 1.751,531 1.556,532 0.832,533 0.394,534 0.313,535 0.323,536 21343,537 49564,538 2.116,539 49.3,540 3,541 27,543 1,544 2,546 3,549 1.784,550 2,551 3.66,552 0.162,558 110.869,559 1.519,560 3.479,561 4.674,562 4.916,563 4.981,564 4.981,565 3.04,566 4.399,567 5.184,568 3.847,569 2562.04,570 9.139,571 41891.8,576 451.857,577 1.338,578 5.15,579 0.171,580 0.007,581 0.066,582 0.04,583 0.031,584 0.026,585 0.014,586 0.007,587 0.006,588 0.007,589 0.374,590 0.33,591 0.75,592 0.629,593 203.295,594 -0.036,595 -0.33,596 0.075,597 -0.131,598 -0.101,599 -0.031,600 -0.1,601 0.103,602 0.041,603 0.116,604 0.023,605 0.098,606 -0.146,607 0.035,608 -0.108,609 0.057,610 -0.097,611 -0.01,612 0.059,613 -0.072,614 -0.079,615 -0.147,616 -0.014,617 -0.141,618 0.047,619 -0.129,620 0.092,621 -0.027,622 0.047,623 0.03,624 -0.072,625 0.033,626 -0.043,627 -0.019,628 -0.014,629 -0.022,630 0.028,631 -0.106,632 -0.1,633 -0.111,634 -0.034,635 -0.124,636 -0.058,637 0.058,638 0.042,639 0.052,640 -0.066,641 0.066,642 1.866,643 4.058,644 0.811,645 40.697,646 0.998,647 1.135,648 2.666,649 7.109,650 0.641,651 3.738,652 4.06,653 4.331,654 4.585,655 4.852,656 4.913,657 5.063,658 5.176,659 5.313,660 5.412,661 7.893,662 0.605,663 504.7,664 3.738,665 5.283,666 6.133,667 7.008,668 7.874,669 8.754,670 9.626,671 10.508,672 11.384,673 12.267,674 8.2,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,716 73,718 18,719 2,720 41,722 77,723 28,724 16,725 6,726 6,728 5,729 5,732 2,738 1,740 16,741 12,760 36,761 9,762 2,763 9,769 6,775 1,776 3,778 1,788 1,794 5,817 1,818 2,819 5,823 3,827 37,832 1,833 8,834 1,835 2,837 1,838 3,850 4.1,851 1,854 2,858 18.5,859 13.783,860 8.083,861 4.41,863 3.421,864 1.412,865 0.958,866 8.227,867 11.719,868 3.932,869 4.483,870 5.019,871 5.562,872 6.107,873 6.32,874 6.669,875 7.01,876 7.371,877 7.722,878 1,879 60,880 13.7,881 5.732,882 7.559,883 26.759,884 21.952,885 2.059,886 76.167,890 400.217,891 149.845,892 60.955,894 64.683,897 149.845,898 464.901,899 60.955,900 26.047,901 26.792,902 109.017,903 67.342,904 53.829,905 4.227,906 388.446,908 400.217,909 210.8,910 64.683,913 364.904,914 35.313,915 64.683,917 76.524,918 100.705,919 33.571,921 400.217,922 125.638,923 149.845,926 400.217,927 48.418,928 110.801,929 18.011,930 98.254,931 400.217,932 125.638,933 149.845,935 0.581,936 0.339,937 0.182,938 0.104,939 27,940 12,941 0.091,942 7,944 1,945 4.673,946 365.455,948 30,949 168.75,954 25.89,955 11.757,956 6.224,958 125.638,959 16.222,960 9.326,964 7.525,966 60.694,967 675.701,968 50,980 72.847,981 82.846,983 0.245,984 0.562,985 0.755,986 0.794,987 0.805,988 0.805,989 5.185,990 1.756,991 6.111,992 5.883,993 4.745,994 5.17,995 2.12,996 6.909,997 4.626,998 6.357,999 1.697,1000 7.662,1001 4.543,1002 4.29,1003 4.89,1004 0.766,1005 7.758,1006 4.123,1007 7.645,1008 1.474,1009 9.311,1010 4.065,1011 6.326,1012 7.269,1013 1.669,1014 10.86,1015 6.104,1016 8.966,1017 1.235,1018 11.019,1019 4.013,1020 6.686,1021 7.785,1022 0.653,1023 12.521,1024 6.419,1025 10.319,1026 1.19,1027 12.764,1028 2.916,1029 8.182,1030 9.658,1031 1.345,1032 15.122,1033 7.865,1034 11.694,1035 1.134,1036 14.534,1037 2.719,1038 8.921,1039 10.553,1040 0.482,1041 17.126,1042 8.561,1043 13.086,1044 1,1045 16.321,1046 2.643,1047 10.189,1048 12.196,1049 1.078,1050 19.542,1051 9.782,1052 3.108,1053 1,1054 18.122,1055 2.509,1056 11.114,1057 13.292,1058 0.337,1059 21.704,1060 10.664,1061 3.024,1062 10.401,1063 19.932,1064 2.136,1065 12.282,1066 14.815,1067 0.852,1068 24.051,1069 11.788,1070 2.736,1071 9.701,1072 21.75,1073 4.005,1074 13.299,1075 16.026,1076 0.229,1077 26.29,1078 12.763,1079 2.684,1080 8.629,1081 23.574,1082 3.922,1083 14.427,1084 17.484,1085 0.663,1086 28.612,1087 13.848,1088 2.535,1089 8.319,1090 25.404,1091 3.66,1092 15.489,1093 18.761,1094 0.153,1095 30.889,1096 14.869,1097 2.305,1098 7.69,1099 27.238,1100 3.042,1101 16.602,1102 20.181,1103 0.509,1104 33.206,1105 15.941,1106 2.048,1107 6.968,1108 29.077,1109 2.972,1110 17.688,1111 21.498,1112 0.1,1113 35.504,1114 16.985,1115 20031,1116 30668,1117 27.739,1118 46.819,1119 61.572,1120 61.921,1121 62.788,1122 61.287,1123 61.293,1124 74.639,1125 10.569,1126 174.182,1127 57.531,1128 5.402,1129 5.339,1130 6.406,1131 5.166,1132 5.108,1133 7.005,1134 1.72,1135 17.515,1136 4.978,1137 16.721,1138 1.502,1139 1.51,1140 1.531,1141 1.495,1142 1.495,1143 1.82,1144 0.258,1145 4.248,1146 1.403,1147 4.037,1148 4.08,1149 3.986,1150 3.931,1151 6.451,1152 3.937,1153 3.957,1154 3.992,1155 3.904,1156 3.87,1157 5.022,1158 3.875,1159 3.799,1160 3.852,1161 3.75,1162 3.629,1163 4.757,1164 3.654,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.696,1170 3.538,1171 3.621,1172 3.666,1173 3.505,1174 3.438,1175 4.613,1176 3.446,1177 3.474,1178 3.533,1179 3.334,1180 3.307,1181 4.549,1182 3.302,1183 3.267,1184 3.362,1185 3.117,1186 3.034,1187 4.13,1188 3.04,1189 3.111,1190 3.206,1191 2.945,1192 2.941,1193 3.996,1194 2.91,1195 0.107,1196 0.081,1197 0.161,1198 0.099,1199 0.076,1200 4.402,1201 0.098,1202 3.339,1203 0.021,1204 6.604,1205 0.254,1206 4.062,1207 0.073,1208 3.108,1209 4.005,1210 0.86,1211 10.401,1212 2.978,1213 1.958,1214 1.93,1215 2.063,1216 2.091,1217 1.27,1218 2.081,1219 1.935,1220 1.902,1221 2.042,1222 2.054,1223 1.225,1224 2.054,1225 1.729,1226 1.678,1227 1.905,1228 1.933,1229 1.19,1230 1.927,1231 1.683,1232 1.624,1233 1.847,1234 1.923,1235 0.994,1236 1.905,1237 1.575,1238 1.526,1239 1.782,1240 1.773,1241 0.906,1242 1.777,1243 1.459,1244 1.401,1245 1.735,1246 1.673,1247 0.825,1248 1.694,1249 1.241,1250 1.145,1251 1.576,1252 1.514,1253 0.825,1254 1.54,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.81,1260 1.429,1261 4.419,1263 5.74,1265 7.259,1267 8.863,1269 10.509,1271 5.815,1276 10.058,1277 6.41,1278 3.449,1279 11.143,1281 -0.533,1282 6.751,1289 44.175,1290 110.869,1291 253.994,1292 341.186,1293 358.838,1294 363.593,1295 363.593,1296 56.442,1297 8.299,1298 86.22,1299 86.22,1300 30,1301 12.803,1302 4.248,1303 3.322,1304 56.583,1305 177,1306 161,1307 0.153,1308 268.797,1309 467.07,1310 647.625,1311 51025,1313 25.777,1314 0.697,1315 0.591,1316 25.777,1317 21.853,1318 17.974,1319 0.438,1320 0.315,1321 12.675,1322 17.111,1323 12.321,1324 10.155,1325 17.974,1326 12.907,1327 16.235,1328 0.285,1329 0.168,1330 16.235,1331 9.581,1332 13.661,1333 0.182,1334 0.093,1335 13.661,1336 6.973,1337 11.282,1338 0.116,1339 0.049,1340 11.282,1341 4.772,1342 9.465,1343 0.075,1344 0.026,1345 9.465,1346 3.288,1347 0.242,1348 113.466,1349 0.19,1350 33.583,1351 0.418,1352 196,1353 534.179,1354 217.155,1355 507.611,1356 705.32,1357 482,1358 230,1359 521.883,1360 251.686,1361 526.767,1362 773.77,1363 496,1364 6.745}
{0 CHEMBL1762533,1 1.589,2 12.686,3 3.489,4 12.176,5 136.477,6 7.237,7 0.462,8 4.304,9 4.431,10 3.86,11 3.738,12 5.344,13 3.744,14 4.873,15 5.067,16 4.186,17 4.109,18 5.864,19 4.1,20 5.062,21 5.276,22 4.229,23 4.291,24 5.985,25 4.239,26 5.104,27 5.329,28 4.2,29 4.363,30 6.012,31 4.26,32 5.205,33 5.462,34 4.242,35 4.372,36 6.064,37 4.279,38 5.181,39 5.424,40 4.252,41 4.316,42 6.106,43 4.251,44 5.144,45 5.381,46 4.219,47 4.316,48 6.036,49 4.235,50 5.239,51 5.505,52 4.158,53 4.32,54 6.085,55 4.216,56 0.039,57 1.021,58 14.551,59 5.364,60 9.519,61 7.64,62 0.555,63 1.576,64 29.342,65 8.398,66 36.957,67 12.159,68 0.62,69 1.878,70 35.587,71 10.355,72 38.729,73 15.742,74 0.483,75 1.981,76 36.167,77 13.18,78 40.093,79 19.373,80 0.363,81 2.069,82 41.604,83 13.263,84 42.31,85 20.759,86 0.773,87 2.03,88 41.263,89 11.285,90 53.742,91 17.539,92 0.596,93 1.973,94 38.857,95 11.536,96 40.797,97 18.117,98 0.693,99 2,100 44.569,101 13.091,102 53.485,103 20.352,104 6,105 53,106 0.252,107 0.548,108 0.705,109 0.747,110 0.758,111 0.758,112 3.589,113 0.911,114 -3.37,115 -3.36,116 -3.21,118 37.9,123 2,124 8,138 6,140 4,141 2,143 2,146 1,170 3,171 12,173 2,175 2,178 4,181 2,191 5,192 9,195 3,197 2,199 1,204 4,214 6,215 7,218 1,220 1,223 3,227 2,228 2,231 2,239 3,240 6,243 1,245 1,247 3,251 4,264 2332,265 24.317,266 24.317,267 24.317,268 24.317,269 24.317,270 22.272,271 44.388,272 14.646,273 25.39,274 19.265,275 19.265,276 19.265,277 19.265,278 19.265,279 16.025,280 79.401,281 6.959,282 20.861,283 4.456,284 2.593,285 1.603,286 1.337,287 1.265,288 1.265,289 4.299,294 1,295 975,296 3.082,300 586.557,307 1.902,308 25.575,311 1,312 0.67,313 1,314 1,315 1,316 1,317 1,318 0.95,319 76.5,320 444,321 4.332,322 3.253,323 6.414,324 3.984,325 3.036,326 3.932,327 0.86,328 9.798,329 2.888,330 4.275,331 3.228,332 6.311,333 3.926,334 2.996,335 3.832,336 0.86,337 9.694,338 2.777,339 3.995,340 3.013,341 6.016,342 3.608,343 2.684,344 3.588,345 0.86,346 8.629,347 2.478,348 3.795,349 2.837,350 5.619,351 3.549,352 2.621,353 2.972,354 0.8,355 7.751,356 2.43,357 3.657,358 2.716,359 5.412,360 3.34,361 2.407,362 2.926,363 0.8,364 7.076,365 2.243,366 3.438,367 2.411,368 5.118,369 3.083,370 2.154,371 2.685,372 0.8,373 6.212,374 1.992,375 3.156,376 2.25,377 4.848,378 2.781,379 1.853,380 2.373,381 0.4,382 5.309,383 1.713,384 2.944,385 2.186,386 4.463,387 2.614,388 1.697,389 2.009,391 4.492,392 1.559,393 2.838,394 1.914,395 4.283,396 2.604,397 1.688,398 1.879,400 4.065,401 1.535,402 2.72,403 1.538,404 3.71,405 2.223,406 1.284,407 1.814,409 2.832,410 1.201,411 2.642,412 1.379,413 3.512,414 2.114,415 1.172,416 1.708,417 2.7,418 1.101,419 2.238,420 1.288,421 3.489,422 2.021,423 1.133,424 1.225,425 2.58,426 0.995,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2,436 1.256,437 3.402,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.194,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 16.3,452 0.466,453 0.653,454 0.019,455 45.75,456 1.307,457 20.5,458 0.586,459 25.25,460 0.721,461 30.702,462 0.877,463 38.9,464 0.589,465 36.751,466 1.05,467 9.237,468 0.264,469 7.954,470 0.227,471 0.061,473 0.288,478 0.943,479 1.73,480 0.792,481 1.347,482 0.829,483 1.084,484 1.493,485 1.013,486 0.99,487 0.835,488 1.121,489 0.83,490 1.239,491 1.077,492 1.084,493 0.906,494 1.101,495 0.952,496 0.474,497 1.109,498 0.986,499 1.209,500 0.701,501 1.191,502 0.641,503 1.192,504 0.825,505 1.054,506 0.695,507 0.974,508 1.124,509 0.936,510 1.074,511 0.898,512 1.084,513 0.951,514 0.821,515 1.168,516 1.025,517 1.087,518 0.856,519 1.075,520 0.903,521 0.973,522 0.975,523 0.97,524 1.099,525 0.976,526 6,527 0.214,528 2.889,529 2.063,530 1.36,531 1.271,532 0.687,533 0.335,534 0.218,535 0.308,536 18757,537 46830,538 2.158,539 47,541 28,543 2,544 1,549 1.771,550 2.079,551 3.638,552 -0.316,558 104.847,559 1.589,560 3.452,561 4.442,562 4.707,563 4.779,564 4.779,565 3.047,566 4.365,567 5.102,568 3.807,569 2265.37,570 8.977,571 35601.5,576 398.93,577 1.15,578 5.086,579 0.154,580 0.006,581 0.055,582 0.038,583 0.026,584 0.023,585 0.013,586 0.006,587 0.005,588 0.007,589 0.332,590 0.33,591 0.63,592 0.529,593 189.144,594 -0.034,595 -0.458,596 0.094,597 -0.228,598 0.015,599 -0.071,600 -0.163,601 0.112,602 0.008,603 0.135,605 0.099,606 -0.179,607 0.027,608 -0.114,609 0.078,610 -0.134,611 0.006,612 0.151,613 -0.021,614 -0.075,615 -0.153,616 0.058,617 -0.161,618 0.023,619 -0.184,620 0.121,621 -0.043,622 0.087,623 0.044,624 -0.083,625 0.134,626 -0.081,627 0.033,628 -0.067,629 -0.016,630 0.031,631 -0.097,632 -0.066,633 -0.107,634 0.017,635 -0.1,636 0.002,638 0.012,639 -0.008,640 -0.048,641 0.004,642 1.149,643 2.058,644 0.857,645 38.096,646 1.005,647 1.138,648 2.144,649 4.595,650 0.645,651 3.689,652 3.989,653 4.263,654 4.522,655 4.779,656 4.82,657 5.004,658 5.124,659 5.252,660 5.366,661 7.643,662 0.615,663 477.63,664 3.689,665 5.22,666 6.066,667 6.932,668 7.793,669 8.665,670 9.532,671 10.408,672 11.277,673 12.155,674 10.6,680 2,682 2,684 3,690 8,691 3,695 7,697 18,709 1,711 3,714 1,716 66,718 18,719 1,720 39,722 70,723 25,724 15,725 3,726 3,728 5,729 5,740 15,741 10,760 31,761 10,762 1,763 10,769 7,775 1,776 3,787 1,788 1,794 5,818 2,819 5,823 2,827 35,833 8,834 1,835 3,838 3,850 4.5,854 2,855 1,858 16.833,859 12.367,860 7.778,861 3.856,863 3.334,864 1.409,865 0.982,866 7.713,867 11.491,868 3.892,869 4.425,870 4.958,871 5.506,872 6.037,873 6.225,874 6.606,875 6.96,876 7.306,877 7.673,878 1,879 55,880 12.906,881 5.344,882 7.548,883 25.115,884 20.267,885 2.048,886 71.667,890 353.133,891 141.093,892 77.74,894 33,897 141.093,898 386.133,899 77.74,900 19.279,901 26.792,902 56.857,903 95.899,904 69.992,905 6.555,906 329.591,908 353.133,909 218.833,910 33,913 353.133,914 11,915 22,917 67.921,918 100.555,919 50.357,921 353.133,922 110.74,923 141.093,926 353.133,927 46.861,928 103.605,929 18.011,930 83.356,931 353.133,932 110.74,933 141.093,935 0.57,936 0.336,937 0.185,938 0.105,939 25,940 10,941 0.1,942 7,944 1,945 4.6,946 336.388,948 30,949 155.525,954 23.914,955 11.288,956 5.889,958 110.74,959 15.563,960 13.645,964 5.977,966 18.011,967 604.966,968 48,980 66.298,981 75.099,983 0.263,984 0.571,985 0.735,986 0.779,987 0.791,988 0.791,989 5.127,990 1.697,991 6.023,992 5.309,993 4.673,994 5.112,995 2.156,996 6.799,997 4.526,998 6.284,999 1.688,1000 7.553,1001 4.492,1002 4.111,1003 4.732,1004 0.766,1005 7.588,1006 3.896,1007 7.56,1008 1.284,1009 9.182,1010 4.065,1011 6.229,1012 7.19,1013 1.743,1014 10.694,1015 5.949,1016 8.868,1017 1.172,1018 10.87,1019 2.832,1020 6.509,1021 7.618,1022 0.653,1023 12.309,1024 6.159,1025 10.21,1026 1.133,1027 12.597,1028 2.7,1029 8.051,1030 9.546,1031 1.446,1032 14.898,1033 7.645,1034 11.573,1035 1,1036 14.35,1037 2.58,1038 8.735,1039 10.366,1040 0.482,1041 16.861,1042 8.26,1043 12.953,1044 1,1045 16.121,1046 2.509,1047 10.023,1048 12.044,1049 1.195,1050 19.256,1051 9.493,1052 3.036,1053 1,1054 17.906,1055 2.136,1056 10.91,1057 13.08,1058 0.337,1059 21.379,1060 10.315,1061 2.996,1062 9.798,1063 19.701,1064 2.136,1065 12.083,1066 14.623,1067 0.975,1068 23.696,1069 11.433,1070 2.684,1071 9.694,1072 21.504,1073 3.932,1074 13.073,1075 15.783,1076 0.229,1077 25.894,1078 12.36,1079 2.621,1080 8.629,1081 23.313,1082 3.832,1083 14.196,1084 17.248,1085 0.783,1086 28.18,1087 13.428,1088 2.407,1089 7.751,1090 25.127,1091 3.588,1092 15.237,1093 18.484,1094 0.153,1095 30.414,1096 14.408,1097 2.154,1098 7.076,1099 26.946,1100 2.972,1101 16.339,1102 19.904,1103 0.62,1104 32.689,1105 15.456,1106 1.853,1107 6.212,1108 28.769,1109 2.926,1110 17.407,1111 21.185,1112 0.1,1113 34.941,1114 16.465,1115 17478,1116 27779,1117 26.929,1118 42.54,1119 57.799,1120 58.611,1121 58.603,1122 57.664,1123 57.679,1124 70.83,1125 10.76,1126 160.575,1127 53.4,1128 5.332,1129 5.253,1130 6.216,1131 5.088,1132 5.036,1133 6.932,1134 1.72,1135 16.656,1136 4.888,1137 11.462,1138 1.482,1139 1.503,1140 1.503,1141 1.479,1142 1.479,1143 1.816,1144 0.276,1145 4.117,1146 1.369,1147 4.022,1148 4.068,1149 3.972,1150 3.897,1151 5.042,1152 3.909,1153 3.914,1154 3.958,1155 3.869,1156 3.771,1157 4.92,1158 3.791,1159 3.775,1160 3.823,1161 3.727,1162 3.607,1163 4.757,1164 3.631,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.62,1172 3.663,1173 3.504,1174 3.437,1175 4.552,1176 3.445,1177 3.315,1178 3.397,1179 3.186,1180 3.059,1181 4.493,1182 3.075,1183 3.186,1184 3.272,1185 3,1186 2.941,1187 4.114,1188 2.91,1189 3.111,1190 3.206,1191 2.936,1192 2.941,1193 3.996,1194 2.91,1195 0.111,1196 0.083,1197 0.164,1198 0.102,1199 0.078,1200 4.332,1201 0.101,1202 3.253,1203 0.022,1204 6.414,1205 0.251,1206 3.984,1207 0.074,1208 3.036,1209 3.932,1210 0.86,1211 9.798,1212 2.888,1213 1.94,1214 1.906,1215 2.044,1216 2.089,1217 1.27,1218 2.077,1219 1.846,1220 1.808,1221 1.941,1222 2.022,1223 1.19,1224 2,1225 1.704,1226 1.658,1227 1.905,1228 1.933,1229 1.002,1230 1.927,1231 1.683,1232 1.624,1233 1.827,1234 1.896,1235 0.981,1236 1.876,1237 1.574,1238 1.524,1239 1.769,1240 1.768,1241 0.825,1242 1.771,1243 1.26,1244 1.173,1245 1.585,1246 1.554,1247 0.825,1248 1.565,1249 1.154,1250 1.064,1251 1.538,1252 1.457,1253 0.801,1254 1.487,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.604,1260 1.429,1261 4.369,1263 5.673,1265 7.182,1267 8.774,1269 10.41,1271 3.561,1277 6.431,1278 3.422,1279 16.447,1282 6.62,1289 40.616,1290 104.847,1291 227.803,1292 293.156,1293 310.665,1294 315.42,1295 315.42,1296 44.479,1297 8.157,1298 88.11,1299 88.11,1300 30,1301 12.694,1302 4.248,1303 3.322,1304 52.031,1305 160,1306 170,1307 0.154,1308 246.814,1309 426.17,1310 593.987,1311 42689,1313 24.037,1314 0.687,1315 0.577,1316 24.037,1317 20.184,1318 17.191,1319 0.441,1320 0.304,1321 11.566,1322 16.178,1323 11.314,1324 9.308,1325 17.191,1326 11.838,1327 14.978,1328 0.283,1329 0.159,1330 14.978,1331 8.413,1332 12.889,1333 0.184,1334 0.088,1335 12.889,1336 6.192,1337 10.769,1338 0.118,1339 0.046,1340 10.769,1341 4.228,1342 9.041,1343 0.077,1344 0.024,1345 9.041,1346 2.886,1347 0.243,1348 109.758,1349 0.193,1350 32.163,1351 0.422,1352 184,1353 551.41,1354 207.706,1355 516.439,1356 716.67,1357 492,1358 215,1359 529.621,1360 239.348,1361 531.779,1362 777.99,1363 499,1364 7.637}
{0 CHEMBL1762534,1 1.589,2 12.686,3 4.029,4 16.229,5 136.79,6 7.237,7 0.462,8 4.304,9 4.431,10 3.86,11 3.738,12 5.342,13 3.744,14 4.874,15 5.067,16 4.189,17 4.109,18 5.872,19 4.098,20 5.06,21 5.277,22 4.23,23 4.286,24 5.984,25 4.234,26 5.101,27 5.328,28 4.196,29 4.353,30 6.008,31 4.255,32 5.191,33 5.442,34 4.241,35 4.372,36 6.058,37 4.281,38 5.184,39 5.425,40 4.253,41 4.326,42 6.104,43 4.257,44 5.159,45 5.401,46 4.22,47 4.321,48 6.043,49 4.238,50 5.239,51 5.505,52 4.158,53 4.32,54 6.085,55 4.216,56 0.039,57 1.021,58 14.551,59 5.364,60 9.186,61 7.64,62 0.594,63 1.576,64 29.377,65 8.423,66 38.531,67 12.22,68 0.604,69 1.88,70 35.543,71 10.255,72 38.736,73 15.737,74 0.472,75 1.974,76 36.185,77 12.796,78 39.939,79 18.921,80 0.367,81 2.052,82 40.841,83 13.154,84 41.711,85 20.391,86 0.745,87 2.037,88 41.21,89 11.645,90 52.322,91 17.93,92 0.608,93 1.988,94 39.664,95 11.745,96 41.723,97 18.489,98 0.693,99 2,100 44.569,101 13.091,102 53.485,103 20.352,104 6,105 53,106 0.252,107 0.542,108 0.704,109 0.752,110 0.758,111 0.758,112 3.589,113 0.911,114 -4.19,115 -4.13,116 -3.9,118 37.9,123 2,124 8,138 7,140 3,141 1,143 3,146 1,167 2,170 4,171 11,173 2,175 2,178 4,181 2,182 3,191 4,192 10,195 3,197 2,199 1,204 5,211 1,214 6,215 7,218 1,220 1,223 3,227 2,228 3,231 2,233 1,239 3,240 6,243 1,245 1,247 3,251 4,260 2,264 2332,265 24.317,266 24.317,267 24.317,268 24.317,269 24.317,270 22.272,271 44.388,272 14.646,273 25.387,274 19.265,275 19.265,276 19.265,277 19.265,278 19.265,279 16.025,280 79.401,281 6.959,282 20.879,283 4.456,284 2.625,285 1.605,286 1.307,287 1.265,288 1.265,289 4.299,294 1,295 975,296 3.082,300 586.557,307 1.902,308 25.556,311 1,312 0.67,313 1,314 1,315 1,316 1,317 1,318 0.95,319 76.5,320 444,321 4.332,322 3.253,323 6.414,324 3.984,325 3.036,326 3.932,327 0.86,328 9.798,329 2.888,330 4.275,331 3.228,332 6.311,333 3.923,334 2.996,335 3.832,336 0.86,337 9.694,338 2.769,339 3.995,340 3.013,341 6.016,342 3.608,343 2.684,344 3.588,345 0.86,346 8.629,347 2.478,348 3.795,349 2.837,350 5.619,351 3.541,352 2.621,353 2.972,354 0.8,355 7.751,356 2.41,357 3.657,358 2.716,359 5.412,360 3.331,361 2.407,362 2.926,363 0.8,364 7.076,365 2.226,366 3.438,367 2.411,368 5.118,369 3.081,370 2.154,371 2.685,372 0.8,373 6.212,374 1.987,375 3.156,376 2.25,377 4.848,378 2.786,379 1.853,380 2.373,381 0.4,382 5.309,383 1.721,384 2.944,385 2.186,386 4.463,387 2.62,388 1.697,389 2.009,391 4.492,392 1.567,393 2.838,394 1.914,395 4.283,396 2.604,397 1.688,398 1.879,400 4.065,401 1.535,402 2.72,403 1.538,404 3.71,405 2.246,406 1.284,407 1.814,409 2.832,410 1.231,411 2.642,412 1.379,413 3.512,414 2.113,415 1.172,416 1.708,417 2.7,418 1.101,419 2.238,420 1.288,421 3.489,422 2.021,423 1.133,424 1.225,425 2.58,426 0.995,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2,436 1.256,437 3.402,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.194,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 16.3,452 0.466,453 0.653,454 0.019,455 45.75,456 1.307,457 20.5,458 0.586,459 25.25,460 0.721,461 30.697,462 0.877,463 38.9,464 0.589,465 36.755,466 1.05,467 9.236,468 0.264,469 7.955,470 0.227,471 0.061,473 0.288,478 0.943,479 1.73,480 0.792,481 1.347,482 0.839,483 1.084,484 1.439,485 1.012,486 0.983,487 0.837,488 1.083,489 0.837,490 1.195,491 1.099,492 1.064,493 0.911,494 1.059,495 0.948,496 0.56,497 1.079,498 0.999,499 1.164,500 0.786,501 1.155,502 0.688,503 1.193,504 0.856,505 1.067,506 0.737,507 0.993,508 1.078,509 0.966,510 1.066,511 0.939,512 1.029,513 0.98,514 0.806,515 1.148,516 1.007,517 1.068,518 0.84,519 1.056,520 0.903,521 0.973,522 0.975,523 0.97,524 1.099,525 0.976,526 6,527 0.214,528 2.889,529 2.063,530 1.36,531 1.271,532 0.687,533 0.335,534 0.218,535 0.308,536 18757,537 46798,538 2.158,539 47,541 29,543 1,544 1,549 1.771,550 2.079,551 3.638,552 -0.316,558 104.847,559 1.589,560 3.419,561 4.44,562 4.737,563 4.779,564 4.779,565 3.047,566 4.365,567 5.102,568 3.807,569 2265.37,570 8.977,571 35601.5,576 398.93,577 1.15,578 5.086,579 0.154,580 0.006,581 0.055,582 0.038,583 0.026,584 0.023,585 0.013,586 0.006,587 0.005,588 0.007,589 0.332,590 0.33,591 0.63,592 0.529,593 189.144,594 -0.034,595 -0.458,596 0.094,597 -0.228,598 0.005,599 -0.071,600 -0.109,601 0.113,602 0.015,603 0.132,604 0.04,605 0.091,606 -0.162,607 0.005,608 -0.094,609 0.069,610 -0.103,611 0.01,612 0.09,613 0.014,614 -0.082,615 -0.123,616 0.009,617 -0.136,618 0.002,619 -0.175,620 0.088,621 -0.05,622 0.056,623 0.024,624 -0.064,625 0.099,626 -0.08,627 0.005,628 -0.049,629 -0.035,630 0.038,631 -0.088,632 -0.046,633 -0.09,634 0.028,635 -0.08,636 0.002,638 0.012,639 -0.008,640 -0.048,641 0.004,642 1.149,643 2.058,644 0.857,645 38.096,646 1.005,647 1.138,648 2.956,649 8.736,650 0.645,651 3.689,652 3.989,653 4.263,654 4.522,655 4.779,656 4.82,657 5.004,658 5.124,659 5.252,660 5.366,661 7.643,662 0.615,663 477.63,664 3.689,665 5.22,666 6.066,667 6.932,668 7.793,669 8.665,670 9.532,671 10.408,672 11.277,673 12.155,674 10.6,680 2,682 2,684 3,690 8,691 3,695 7,697 18,709 1,711 3,714 1,716 66,718 18,719 1,720 39,722 70,723 25,724 15,725 3,726 3,728 5,729 5,740 15,741 10,760 31,761 10,762 1,763 10,769 7,775 1,776 3,787 1,788 1,794 5,818 2,819 5,823 2,827 35,833 8,834 1,835 3,838 3,850 4.5,854 2,855 1,858 16.833,859 12.367,860 7.778,861 3.867,863 3.334,864 1.409,865 0.982,866 7.713,867 11.491,868 3.892,869 4.425,870 4.958,871 5.506,872 6.037,873 6.225,874 6.606,875 6.96,876 7.306,877 7.673,878 1,879 55,880 12.907,881 5.345,882 7.548,883 25.115,884 20.258,885 2.048,886 71.667,890 353.133,891 141.093,892 77.74,894 33,897 141.093,898 386.133,899 77.74,900 19.279,901 26.792,902 66.334,903 84.127,904 55.701,905 11.37,906 341.362,908 353.133,909 218.833,910 33,913 353.133,914 11,915 22,917 58.874,918 109.602,919 50.357,921 353.133,922 110.74,923 141.093,926 353.133,927 46.432,928 104.034,929 18.011,930 83.356,931 353.133,932 110.74,933 141.093,935 0.57,936 0.336,937 0.185,938 0.105,939 25,940 10,941 0.1,942 7,944 1,945 4.6,946 336.388,948 30,949 155.525,954 23.914,955 11.288,956 5.889,958 110.74,959 15.794,960 13.707,964 5.789,966 18.011,967 604.966,968 48,980 66.298,981 75.099,983 0.263,984 0.566,985 0.734,986 0.784,987 0.791,988 0.791,989 5.127,990 1.697,991 6.023,992 5.309,993 4.673,994 5.112,995 2.156,996 6.799,997 4.524,998 6.284,999 1.688,1000 7.553,1001 4.492,1002 4.111,1003 4.732,1004 0.766,1005 7.588,1006 3.886,1007 7.56,1008 1.284,1009 9.182,1010 4.065,1011 6.229,1012 7.19,1013 1.743,1014 10.694,1015 5.942,1016 8.868,1017 1.172,1018 10.87,1019 2.832,1020 6.509,1021 7.618,1022 0.653,1023 12.309,1024 6.144,1025 10.21,1026 1.133,1027 12.597,1028 2.7,1029 8.051,1030 9.546,1031 1.446,1032 14.898,1033 7.633,1034 11.573,1035 1,1036 14.35,1037 2.58,1038 8.735,1039 10.366,1040 0.482,1041 16.861,1042 8.243,1043 12.953,1044 1,1045 16.121,1046 2.509,1047 10.023,1048 12.044,1049 1.195,1050 19.256,1051 9.478,1052 3.036,1053 1,1054 17.906,1055 2.136,1056 10.91,1057 13.08,1058 0.337,1059 21.379,1060 10.296,1061 2.996,1062 9.798,1063 19.701,1064 2.136,1065 12.083,1066 14.623,1067 0.975,1068 23.696,1069 11.416,1070 2.684,1071 9.694,1072 21.504,1073 3.932,1074 13.073,1075 15.783,1076 0.229,1077 25.894,1078 12.34,1079 2.621,1080 8.629,1081 23.313,1082 3.832,1083 14.196,1084 17.248,1085 0.783,1086 28.18,1087 13.409,1088 2.407,1089 7.751,1090 25.127,1091 3.588,1092 15.237,1093 18.484,1094 0.153,1095 30.414,1096 14.388,1097 2.154,1098 7.076,1099 26.946,1100 2.972,1101 16.339,1102 19.904,1103 0.62,1104 32.689,1105 15.436,1106 1.853,1107 6.212,1108 28.769,1109 2.926,1110 17.407,1111 21.185,1112 0.1,1113 34.941,1114 16.445,1115 17478,1116 27773,1117 26.929,1118 42.54,1119 57.799,1120 58.611,1121 58.603,1122 57.67,1123 57.679,1124 70.83,1125 10.76,1126 160.575,1127 53.38,1128 5.332,1129 5.253,1130 6.216,1131 5.087,1132 5.036,1133 6.932,1134 1.72,1135 16.656,1136 4.888,1137 11.462,1138 1.482,1139 1.503,1140 1.503,1141 1.479,1142 1.479,1143 1.816,1144 0.276,1145 4.117,1146 1.369,1147 4.022,1148 4.068,1149 3.972,1150 3.897,1151 5.046,1152 3.909,1153 3.913,1154 3.958,1155 3.868,1156 3.771,1157 4.937,1158 3.789,1159 3.773,1160 3.823,1161 3.725,1162 3.607,1163 4.757,1164 3.63,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.619,1172 3.663,1173 3.504,1174 3.437,1175 4.551,1176 3.445,1177 3.319,1178 3.398,1179 3.189,1180 3.064,1181 4.413,1182 3.081,1183 3.202,1184 3.284,1185 3.016,1186 2.941,1187 4.099,1188 2.941,1189 3.111,1190 3.206,1191 2.938,1192 2.941,1193 3.996,1194 2.91,1195 0.111,1196 0.083,1197 0.164,1198 0.102,1199 0.078,1200 4.332,1201 0.101,1202 3.253,1203 0.022,1204 6.414,1205 0.251,1206 3.984,1207 0.074,1208 3.036,1209 3.932,1210 0.86,1211 9.798,1212 2.888,1213 1.94,1214 1.906,1215 2.044,1216 2.089,1217 1.27,1218 2.077,1219 1.847,1220 1.807,1221 1.946,1222 2.022,1223 1.19,1224 2.001,1225 1.704,1226 1.657,1227 1.905,1228 1.933,1229 1.002,1230 1.927,1231 1.683,1232 1.624,1233 1.828,1234 1.896,1235 0.981,1236 1.876,1237 1.574,1238 1.524,1239 1.769,1240 1.768,1241 0.825,1242 1.771,1243 1.263,1244 1.18,1245 1.588,1246 1.557,1247 0.825,1248 1.567,1249 1.173,1250 1.087,1251 1.551,1252 1.466,1253 0.802,1254 1.498,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.604,1260 1.429,1261 4.369,1263 5.673,1265 7.182,1267 8.774,1269 10.41,1271 3.526,1277 6.431,1278 3.422,1279 16.376,1282 6.62,1289 40.616,1290 104.847,1291 225.661,1292 293.014,1293 312.665,1294 315.42,1295 315.42,1296 44.018,1297 8.157,1298 88.11,1299 88.11,1300 30,1301 12.694,1302 4.248,1303 3.322,1304 52.031,1305 160,1306 170,1307 0.154,1308 246.814,1309 426.17,1310 593.987,1311 42689,1313 24.037,1314 0.687,1315 0.577,1316 24.037,1317 20.184,1318 17.191,1319 0.441,1320 0.304,1321 11.578,1322 16.189,1323 11.327,1324 9.322,1325 17.191,1326 11.848,1327 14.978,1328 0.283,1329 0.158,1330 14.978,1331 8.398,1332 12.889,1333 0.184,1334 0.088,1335 12.889,1336 6.157,1337 10.769,1338 0.118,1339 0.046,1340 10.769,1341 4.223,1342 9.041,1343 0.077,1344 0.024,1345 9.041,1346 2.888,1347 0.243,1348 109.712,1349 0.193,1350 32.163,1351 0.422,1352 184,1353 551.41,1354 208.149,1355 516.518,1356 717.71,1357 492,1358 215,1359 531.973,1360 239.681,1361 533.728,1362 782.51,1363 501,1364 7.553}
{0 CHEMBL1762535,1 1.589,2 12.686,3 2.95,4 8.704,5 136.163,6 7.237,7 0.462,8 4.304,9 4.431,10 3.86,11 3.738,12 5.346,13 3.744,14 4.873,15 5.066,16 4.183,17 4.111,18 5.859,19 4.102,20 5.062,21 5.273,22 4.231,23 4.301,24 5.989,25 4.244,26 5.11,27 5.336,28 4.198,29 4.371,30 6,31 4.264,32 5.22,33 5.483,34 4.242,35 4.369,36 6.085,37 4.278,38 5.158,39 5.39,40 4.251,41 4.315,42 6.085,43 4.251,44 5.162,45 5.406,46 4.223,47 4.316,48 6.056,49 4.235,50 5.233,51 5.497,52 4.154,53 4.322,54 6.073,55 4.216,56 0.039,57 1.021,58 14.551,59 5.364,60 9.852,61 7.64,62 0.541,63 1.575,64 29.335,65 8.316,66 36.217,67 12.108,68 0.677,69 1.881,70 35.521,71 10.636,72 40.094,73 15.966,74 0.372,75 1.993,76 36.191,77 13.461,78 35.562,79 19.85,80 0.47,81 2.078,82 42.794,83 13.059,84 48.168,85 20.547,86 0.67,87 2.011,88 39.725,89 11.16,90 48.205,91 17.279,92 0.673,93 1.992,94 39.958,95 11.674,96 45.019,97 18.343,98 0.683,99 1.987,100 44.21,101 13.206,102 51.998,103 20.395,104 6,105 53,106 0.252,107 0.547,108 0.717,109 0.752,110 0.758,111 0.758,112 3.589,113 0.91,114 -2.56,115 -2.59,116 -2.52,118 37.9,123 2,124 8,138 5,140 5,141 3,143 1,146 1,170 2,171 9,173 2,175 2,178 3,181 4,182 1,191 3,192 7,195 3,197 2,199 1,203 1,204 5,214 5,215 6,220 1,223 2,227 3,228 2,231 3,239 3,240 3,243 1,247 3,251 4,252 2,264 2332,265 24.317,266 24.317,267 24.317,268 24.317,269 24.317,270 22.272,271 44.388,272 14.646,273 25.384,274 19.265,275 19.265,276 19.265,277 19.265,278 19.265,279 16.025,280 79.401,281 6.959,282 20.848,283 4.456,284 2.594,285 1.525,286 1.307,287 1.265,288 1.265,289 4.299,294 1,295 975,296 3.082,300 586.557,307 1.902,308 25.214,311 1,312 0.67,313 1,314 1,315 1,316 1,317 1,318 0.95,319 76.5,320 444,321 4.332,322 3.253,323 6.414,324 3.985,325 3.036,326 3.932,327 0.86,328 9.798,329 2.888,330 4.275,331 3.228,332 6.311,333 3.933,334 2.996,335 3.832,336 0.86,337 9.694,338 2.801,339 3.995,340 3.013,341 6.016,342 3.608,343 2.684,344 3.588,345 0.86,346 8.629,347 2.478,348 3.795,349 2.837,350 5.619,351 3.55,352 2.621,353 2.972,354 0.8,355 7.751,356 2.433,357 3.657,358 2.716,359 5.412,360 3.337,361 2.407,362 2.926,363 0.8,364 7.076,365 2.237,366 3.438,367 2.411,368 5.118,369 3.085,370 2.154,371 2.685,372 0.8,373 6.212,374 1.996,375 3.156,376 2.25,377 4.848,378 2.789,379 1.853,380 2.373,381 0.4,382 5.309,383 1.727,384 2.944,385 2.186,386 4.463,387 2.62,388 1.697,389 2.009,391 4.492,392 1.568,393 2.838,394 1.914,395 4.283,396 2.604,397 1.688,398 1.879,400 4.065,401 1.535,402 2.72,403 1.538,404 3.71,405 2.212,406 1.284,407 1.814,409 2.832,410 1.189,411 2.642,412 1.379,413 3.512,414 2.094,415 1.172,416 1.708,417 2.7,418 1.078,419 2.238,420 1.288,421 3.489,422 2.021,423 1.133,424 1.225,425 2.58,426 0.995,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2,436 1.256,437 3.402,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.194,445 3.247,446 1.905,447 1,448 1,449 2.136,450 0.896,451 16.3,452 0.466,453 0.653,454 0.019,455 45.75,456 1.307,457 20.5,458 0.586,459 25.25,460 0.721,461 30.712,462 0.877,463 38.9,464 0.589,465 36.74,466 1.05,467 9.238,468 0.264,469 7.953,470 0.227,471 0.061,473 0.288,478 0.943,479 1.73,480 0.792,481 1.347,482 0.819,483 1.084,484 1.524,485 1.028,486 0.995,487 0.826,488 1.145,489 0.821,490 1.169,491 1.021,492 1.088,493 0.907,494 1.043,495 0.968,496 0.428,497 1.203,498 0.955,499 1.268,500 0.65,501 1.214,502 0.731,503 1.067,504 0.845,505 0.954,506 0.802,507 0.911,508 1.128,509 1.084,510 1.095,511 0.999,512 1.06,513 1.023,514 0.81,515 1.071,516 1.014,517 1.03,518 0.854,519 1.037,520 0.887,521 0.958,522 0.968,523 0.968,524 1.087,525 0.974,526 6,527 0.214,528 2.889,529 2.063,530 1.36,531 1.271,532 0.687,533 0.335,534 0.218,535 0.308,536 18757,537 47002,538 2.158,539 47,541 27,543 3,544 1,549 1.771,550 2.079,551 3.638,552 -0.316,558 104.847,559 1.589,560 3.45,561 4.52,562 4.737,563 4.779,564 4.779,565 3.047,566 4.365,567 5.102,568 3.807,569 2265.37,570 8.977,571 35601.5,576 398.93,577 1.15,578 5.086,579 0.154,580 0.006,581 0.055,582 0.038,583 0.026,584 0.023,585 0.013,586 0.006,587 0.005,588 0.007,589 0.332,590 0.33,591 0.63,592 0.529,593 189.144,594 -0.034,595 -0.458,596 0.094,597 -0.228,598 0.025,599 -0.071,600 -0.194,601 0.096,602 0.002,603 0.144,604 -0.026,605 0.107,606 -0.119,607 0.087,608 -0.122,609 0.085,610 -0.101,611 -0.006,612 0.136,613 -0.125,614 -0.052,615 -0.198,616 0.058,617 -0.171,618 -0.005,619 -0.062,620 0.115,621 0.033,622 0.053,623 0.09,624 -0.105,625 -0.002,626 -0.114,627 -0.048,628 -0.084,629 -0.078,630 0.057,631 -0.007,632 -0.047,633 -0.065,634 0.044,635 -0.07,636 0.008,637 0.013,638 0.017,639 0.001,640 -0.049,641 0.011,642 1.141,643 2.059,644 0.857,645 38.096,646 1.005,647 1.138,648 1.332,649 1.773,650 0.645,651 3.689,652 3.989,653 4.263,654 4.522,655 4.779,656 4.82,657 5.004,658 5.124,659 5.252,660 5.366,661 7.643,662 0.615,663 477.63,664 3.689,665 5.22,666 6.066,667 6.932,668 7.793,669 8.665,670 9.532,671 10.408,672 11.277,673 12.155,674 10.6,680 2,682 2,684 3,690 8,691 3,695 7,697 18,709 1,711 3,714 1,716 66,718 18,719 1,720 39,722 70,723 25,724 15,725 3,726 3,728 5,729 5,740 15,741 10,760 31,761 10,762 1,763 10,769 7,775 1,776 3,787 1,788 1,794 5,818 2,819 5,823 2,827 35,833 8,834 1,835 3,838 3,850 4.5,854 2,855 1,858 16.833,859 12.367,860 7.778,861 3.844,863 3.334,864 1.409,865 0.982,866 7.713,867 11.491,868 3.892,869 4.425,870 4.958,871 5.506,872 6.037,873 6.225,874 6.606,875 6.96,876 7.306,877 7.673,878 1,879 55,880 12.904,881 5.342,882 7.548,883 25.115,884 20.276,885 2.048,886 71.667,890 353.133,891 141.093,892 77.74,894 33,897 141.093,898 386.133,899 77.74,900 19.279,901 26.792,902 47.381,903 107.67,904 81.796,905 4.227,906 317.82,908 353.133,909 218.833,910 33,913 353.133,914 11,915 22,917 76.969,918 91.508,919 50.357,921 353.133,922 110.74,923 141.093,926 353.133,927 47.29,928 103.176,929 18.011,930 83.356,931 353.133,932 110.74,933 141.093,935 0.57,936 0.336,937 0.185,938 0.105,939 25,940 10,941 0.1,942 7,944 1,945 4.6,946 336.388,948 30,949 155.525,954 23.914,955 11.288,956 5.889,958 110.74,959 15.556,960 13.472,964 6.104,966 18.011,967 604.966,968 48,980 66.298,981 75.099,983 0.263,984 0.571,985 0.748,986 0.784,987 0.791,988 0.791,989 5.127,990 1.697,991 6.023,992 5.309,993 4.673,994 5.112,995 2.156,996 6.799,997 4.528,998 6.284,999 1.688,1000 7.553,1001 4.492,1002 4.111,1003 4.732,1004 0.766,1005 7.588,1006 3.907,1007 7.56,1008 1.284,1009 9.182,1010 4.065,1011 6.229,1012 7.19,1013 1.743,1014 10.694,1015 5.955,1016 8.868,1017 1.172,1018 10.87,1019 2.832,1020 6.509,1021 7.618,1022 0.653,1023 12.309,1024 6.175,1025 10.21,1026 1.133,1027 12.597,1028 2.7,1029 8.051,1030 9.546,1031 1.446,1032 14.898,1033 7.658,1034 11.573,1035 1,1036 14.35,1037 2.58,1038 8.735,1039 10.366,1040 0.482,1041 16.861,1042 8.281,1043 12.953,1044 1,1045 16.121,1046 2.509,1047 10.023,1048 12.044,1049 1.195,1050 19.256,1051 9.513,1052 3.036,1053 1,1054 17.906,1055 2.136,1056 10.91,1057 13.08,1058 0.337,1059 21.379,1060 10.342,1061 2.996,1062 9.798,1063 19.701,1064 2.136,1065 12.083,1066 14.623,1067 0.975,1068 23.696,1069 11.461,1070 2.684,1071 9.694,1072 21.504,1073 3.932,1074 13.073,1075 15.783,1076 0.229,1077 25.894,1078 12.393,1079 2.621,1080 8.629,1081 23.313,1082 3.832,1083 14.196,1084 17.248,1085 0.783,1086 28.18,1087 13.463,1088 2.407,1089 7.751,1090 25.127,1091 3.588,1092 15.237,1093 18.484,1094 0.153,1095 30.414,1096 14.448,1097 2.154,1098 7.076,1099 26.946,1100 2.972,1101 16.339,1102 19.904,1103 0.62,1104 32.689,1105 15.498,1106 1.853,1107 6.212,1108 28.769,1109 2.926,1110 17.407,1111 21.185,1112 0.1,1113 34.941,1114 16.51,1115 17478,1116 27827,1117 26.929,1118 42.54,1119 57.799,1120 58.611,1121 58.603,1122 57.655,1123 57.679,1124 70.83,1125 10.76,1126 160.575,1127 53.428,1128 5.332,1129 5.253,1130 6.216,1131 5.088,1132 5.036,1133 6.932,1134 1.72,1135 16.656,1136 4.888,1137 11.462,1138 1.482,1139 1.503,1140 1.503,1141 1.478,1142 1.479,1143 1.816,1144 0.276,1145 4.117,1146 1.37,1147 4.023,1148 4.068,1149 3.973,1150 3.898,1151 5.04,1152 3.909,1153 3.916,1154 3.959,1155 3.871,1156 3.779,1157 4.933,1158 3.797,1159 3.771,1160 3.821,1161 3.725,1162 3.599,1163 4.757,1164 3.624,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.613,1170 3.538,1171 3.619,1172 3.663,1173 3.504,1174 3.436,1175 4.551,1176 3.445,1177 3.319,1178 3.397,1179 3.189,1180 3.06,1181 4.467,1182 3.078,1183 3.177,1184 3.267,1185 2.999,1186 2.941,1187 4.156,1188 2.91,1189 3.111,1190 3.206,1191 2.928,1192 2.941,1193 3.996,1194 2.91,1195 0.111,1196 0.083,1197 0.164,1198 0.102,1199 0.078,1200 4.332,1201 0.101,1202 3.253,1203 0.022,1204 6.414,1205 0.251,1206 3.985,1207 0.074,1208 3.036,1209 3.932,1210 0.86,1211 9.798,1212 2.888,1213 1.941,1214 1.906,1215 2.044,1216 2.089,1217 1.27,1218 2.077,1219 1.852,1220 1.815,1221 1.946,1222 2.024,1223 1.19,1224 2.004,1225 1.697,1226 1.65,1227 1.905,1228 1.933,1229 1.017,1230 1.927,1231 1.683,1232 1.624,1233 1.822,1234 1.895,1235 0.988,1236 1.873,1237 1.573,1238 1.524,1239 1.763,1240 1.768,1241 0.825,1242 1.77,1243 1.26,1244 1.179,1245 1.588,1246 1.556,1247 0.825,1248 1.567,1249 1.153,1250 1.064,1251 1.529,1252 1.45,1253 0.781,1254 1.479,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.602,1260 1.429,1261 4.369,1263 5.673,1265 7.182,1267 8.774,1269 10.41,1271 3.571,1277 6.439,1278 3.427,1279 16.426,1282 6.671,1289 40.616,1290 104.847,1291 227.703,1292 298.301,1293 312.665,1294 315.42,1295 315.42,1296 44.62,1297 8.157,1298 88.11,1299 88.11,1300 30,1301 12.694,1302 4.248,1303 3.322,1304 52.031,1305 160,1306 170,1307 0.154,1308 246.814,1309 426.17,1310 593.987,1311 42689,1313 24.037,1314 0.687,1315 0.577,1316 24.037,1317 20.184,1318 17.191,1319 0.441,1320 0.303,1321 11.555,1322 16.175,1323 11.299,1324 9.299,1325 17.191,1326 11.828,1327 14.978,1328 0.283,1329 0.159,1330 14.978,1331 8.442,1332 12.889,1333 0.184,1334 0.089,1335 12.889,1336 6.217,1337 10.769,1338 0.118,1339 0.047,1340 10.769,1341 4.236,1342 9.041,1343 0.077,1344 0.025,1345 9.041,1346 2.897,1347 0.243,1348 109.804,1349 0.193,1350 32.163,1351 0.422,1352 184,1353 551.41,1354 207.317,1355 516.712,1356 715.75,1357 492,1358 215,1359 527.269,1360 239.264,1361 530.558,1362 774.73,1363 497,1364 7.523}
{0 CHEMBL1762536,1 1.487,2 12.629,3 4.772,4 22.775,5 142.18,6 6.879,7 0.462,8 4.329,9 4.462,10 3.837,11 3.814,12 5.334,13 3.792,14 4.899,15 5.099,16 4.182,17 4.216,18 5.844,19 4.17,20 5.128,21 5.356,22 4.225,23 4.387,24 6.012,25 4.299,26 5.185,27 5.424,28 4.22,29 4.433,30 6.067,31 4.319,32 5.249,33 5.501,34 4.258,35 4.453,36 6.108,37 4.344,38 5.256,39 5.508,40 4.265,41 4.418,42 6.148,43 4.323,44 5.271,45 5.529,46 4.204,47 4.392,48 6.166,49 4.285,50 5.255,51 5.531,52 4.11,53 4.347,54 6.081,55 4.224,56 0.054,57 1.054,58 15.952,59 6.006,60 10.22,61 8.653,62 0.393,63 1.695,64 30.296,65 9.793,66 31.298,67 14.453,68 0.406,69 2.039,70 38.322,71 12.435,72 36.312,73 18.97,74 0.391,75 2.121,76 40.42,77 14.647,78 42.791,79 21.623,80 0.368,81 2.22,82 43.517,83 14.555,84 43.171,85 22.383,86 0.524,87 2.245,88 44.465,89 13.376,90 48.661,91 20.88,92 0.645,93 2.18,94 45.705,95 13.47,96 62.542,97 21.143,98 0.52,99 2.109,100 45.119,101 13.539,102 48.998,103 21.216,104 11,105 54,106 0.234,107 0.551,108 0.756,109 0.819,110 0.834,111 0.839,112 3.589,113 0.952,114 -4.44,115 -4.37,116 -4.12,118 39.1,119 1,120 2,123 1,124 7,138 7,139 2,140 4,141 1,143 1,146 1,167 6,170 2,171 11,173 2,175 3,178 8,181 1,182 3,186 2,188 4,191 2,192 9,195 3,197 3,199 7,204 5,206 1,208 1,211 3,214 4,215 9,220 5,223 5,227 1,228 4,231 2,233 4,239 2,240 8,245 1,247 5,251 2,252 2,255 1,256 1,260 6,264 2239,265 24.11,266 24.11,267 24.11,268 24.11,269 24.11,270 22.012,271 44.609,272 14.32,273 24.797,274 19.232,275 19.232,276 19.232,277 19.232,278 19.232,279 15.912,280 78.311,281 6.781,282 20.355,283 4.621,284 2.604,285 1.303,286 0.902,287 0.804,288 0.776,289 4.296,294 1,295 970,296 3.162,299 96.887,300 471.58,307 1.853,308 23.034,311 1,312 0.83,313 1,314 1,315 1,316 1,317 1,318 0.98,319 75,320 442,321 4.39,322 3.319,323 6.596,324 4.046,325 3.095,326 3.992,327 0.86,328 10.37,329 2.955,330 4.319,331 3.239,332 6.312,333 3.98,334 3.025,335 3.92,336 0.8,337 9.703,338 2.889,339 4.052,340 3.004,341 6.018,342 3.622,343 2.692,344 3.652,345 0.8,346 8.635,347 2.52,348 3.8,349 2.846,350 5.778,351 3.617,352 2.678,353 2.976,354 0.8,355 8.033,356 2.495,357 3.659,358 2.682,359 5.475,360 3.363,361 2.415,362 2.941,363 0.765,364 7.214,365 2.282,366 3.501,367 2.457,368 5.196,369 3.17,370 2.2,371 2.778,372 0.4,373 6.386,374 2.135,375 3.311,376 2.315,377 5.01,378 2.973,379 2.024,380 2.538,382 5.839,383 1.911,384 2.964,385 2.121,386 4.495,387 2.693,388 1.746,389 2.052,391 4.559,392 1.661,393 2.861,394 1.786,395 4.378,396 2.605,397 1.654,398 1.977,400 4.069,401 1.557,402 2.823,403 1.591,404 4.29,405 2.441,406 1.47,407 1.868,409 4.012,410 1.424,411 2.655,412 1.395,413 3.622,414 2.13,415 1.183,416 1.727,417 2.674,418 1.118,419 2.205,420 1.256,421 3.493,422 1.978,423 1.081,424 1.183,425 2.609,426 0.961,427 2.041,428 1.208,429 3.436,430 1.952,431 1,432 1,433 2.136,434 0.946,435 2,436 1.122,437 3.274,438 1.767,439 0.802,440 0.928,441 1.961,442 0.772,443 1.92,444 0.918,445 3.247,446 1.677,447 0.729,448 0.878,449 1.821,450 0.689,451 16.567,452 0.473,453 0.742,454 0.021,455 44,456 1.257,457 20,458 0.571,459 24,460 0.686,461 33.489,462 0.957,463 38.633,464 0.56,465 34.891,466 0.997,467 8.527,468 0.244,469 8.574,470 0.245,471 0.08,473 0.314,478 0.978,479 1.567,480 0.866,481 1.221,482 0.944,483 1.057,484 1.258,485 1.054,486 0.965,487 0.905,488 0.883,489 0.897,490 1.055,491 1.131,492 1.05,493 1.011,494 0.701,495 1.018,496 0.658,497 1.074,498 0.966,499 1.106,500 0.807,501 1.081,502 0.751,503 1.169,504 0.928,505 1.054,506 0.73,507 1.013,508 1.049,509 1.078,510 1.046,511 1.005,512 0.844,513 1.008,514 1.146,515 1.061,516 1.06,517 0.959,518 1.265,519 0.985,520 1.061,521 0.985,522 1.024,523 0.947,524 1.003,525 0.963,526 6.5,527 0.216,528 3.333,529 2.09,530 1.77,531 1.264,532 0.734,533 0.357,534 0.273,535 0.28,536 18578,537 41217,538 2.141,539 49.3,540 3,541 24,543 1,544 2,546 4,549 1.77,550 2.039,551 3.616,552 0.162,558 102.623,559 1.487,560 3.504,561 4.805,562 5.206,563 5.304,564 5.333,565 3.007,566 4.786,567 5.104,568 3.791,569 2255.48,570 8.976,571 35340.2,576 421.488,577 1.271,578 5.076,579 0.167,580 0.006,581 0.062,582 0.038,583 0.033,584 0.023,585 0.013,586 0.007,587 0.006,588 0.007,589 0.361,590 0.17,591 0.75,592 0.597,593 188.93,594 -0.032,595 -0.307,596 0.073,597 -0.104,598 -0.065,599 -0.019,600 -0.057,601 0.099,602 0.03,603 0.098,604 0.022,605 0.073,606 -0.103,607 -0.032,608 -0.075,609 -0.011,611 -0.034,612 0.08,613 -0.021,614 -0.016,615 -0.076,616 0.003,617 -0.066,618 0.02,619 -0.133,620 0.033,621 -0.052,622 0.014,623 -0.014,624 -0.044,625 -0.007,626 -0.052,627 -0.057,628 -0.009,629 -0.054,630 -0.032,631 -0.036,632 -0.054,633 -0.016,634 -0.041,635 -0.034,636 -0.072,637 0.014,638 -0.026,639 -0.009,640 -0.079,641 -0.007,642 1.49,643 3.563,644 0.829,645 36.999,646 0.995,647 1.134,648 3.207,649 10.285,650 0.646,651 3.689,652 4.007,653 4.29,654 4.554,655 4.779,656 4.852,657 5.004,658 5.13,659 5.247,660 5.342,661 7.588,662 0.608,663 474.67,664 3.689,665 5.231,666 6.084,667 6.959,668 7.828,669 8.707,670 9.581,671 10.463,672 11.34,673 12.223,674 8.7,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,716 69,718 18,719 2,720 39,722 73,723 27,724 16,725 6,726 6,728 5,729 5,732 2,735 2,738 2,740 16,741 11,760 34,761 8,762 2,763 8,769 6,775 1,776 2,777 1,788 1,790 1,793 1,794 4,817 1,818 1,819 5,823 2,827 35,832 1,833 9,834 1,835 1,838 3,850 2.9,851 1,854 1,858 17.167,859 12.783,860 7.722,861 4.235,863 3.397,864 1.417,865 0.978,866 7.491,867 11.55,868 3.892,869 4.449,870 4.992,871 5.541,872 6.073,873 6.277,874 6.626,875 6.983,876 7.333,877 7.684,878 1,879 55,880 12.951,881 5.424,882 7.524,883 25.468,884 21.075,885 2.024,886 70.833,890 376.675,891 136.905,892 60.955,894 53.683,897 136.905,898 430.358,899 60.955,900 17.222,901 22.677,902 109.017,903 56.342,904 53.829,905 4.227,906 364.904,908 376.675,909 197.859,910 53.683,913 329.591,914 47.084,915 53.683,917 63.583,918 100.705,919 33.571,921 376.675,922 114.638,923 136.905,926 376.675,927 44.302,928 101.976,929 18.011,930 87.254,931 376.675,932 114.638,933 136.905,935 0.577,936 0.343,937 0.188,938 0.102,939 26,940 11,941 0.096,942 7,944 1,945 4.558,946 339.111,948 29,949 168.77,954 24.014,955 10.918,956 5.595,958 114.638,959 16.315,960 9.304,964 7.747,966 60.694,967 628.218,968 48,980 68.636,981 78.221,983 0.243,984 0.574,985 0.787,986 0.852,987 0.868,988 0.873,989 5.139,990 1.746,991 6.057,992 5.839,993 4.691,994 5.136,995 1.924,996 6.853,997 4.585,998 6.311,999 1.654,1000 7.603,1001 4.559,1002 4.205,1003 4.844,1004 0.766,1005 7.692,1006 4.042,1007 7.6,1008 1.47,1009 9.248,1010 4.069,1011 6.271,1012 7.245,1013 1.438,1014 10.798,1015 6.062,1016 8.923,1017 1.183,1018 10.952,1019 4.012,1020 6.621,1021 7.754,1022 0.653,1023 12.456,1024 6.354,1025 10.278,1026 1.081,1027 12.692,1028 2.674,1029 8.12,1030 9.635,1031 1.108,1032 15.059,1033 7.811,1034 11.653,1035 1,1036 14.459,1037 2.609,1038 8.858,1039 10.523,1040 0.482,1041 17.064,1042 8.491,1043 13.045,1044 0.802,1045 16.244,1046 2.136,1047 10.123,1048 12.171,1049 0.851,1050 19.484,1051 9.716,1052 3.095,1053 0.729,1054 18.042,1055 1.961,1056 11.05,1057 13.262,1058 0.337,1059 21.649,1060 10.589,1061 3.025,1062 10.37,1063 19.851,1064 1.821,1065 12.216,1066 14.789,1067 0.643,1068 23.999,1069 11.714,1070 2.692,1071 9.703,1072 21.669,1073 3.992,1074 13.235,1075 15.996,1076 0.229,1077 26.24,1078 12.683,1079 2.678,1080 8.635,1081 23.493,1082 3.92,1083 14.362,1084 17.455,1085 0.478,1086 28.565,1087 13.768,1088 2.415,1089 8.033,1090 25.324,1091 3.652,1092 15.426,1093 18.729,1094 0.153,1095 30.843,1096 14.785,1097 2.2,1098 7.214,1099 27.16,1100 2.976,1101 16.538,1102 20.15,1103 0.351,1104 33.161,1105 15.855,1106 2.024,1107 6.386,1108 29,1109 2.941,1110 17.625,1111 21.463,1112 0.1,1113 35.459,1114 16.896,1115 17339,1116 25981,1117 26.641,1118 44.603,1119 57.921,1120 58.415,1121 59.148,1122 57.971,1123 57.938,1124 71.293,1125 8.849,1126 164.588,1127 54.824,1128 5.39,1129 5.319,1130 6.398,1131 5.15,1132 5.095,1133 6.992,1134 1.72,1135 17.479,1136 4.955,1137 13.905,1138 1.485,1139 1.498,1140 1.517,1141 1.486,1142 1.486,1143 1.828,1144 0.227,1145 4.22,1146 1.406,1147 4.039,1148 4.084,1149 3.985,1150 3.928,1151 6.457,1152 3.935,1153 3.957,1154 3.993,1155 3.902,1156 3.873,1157 5.022,1158 3.875,1159 3.8,1160 3.858,1161 3.747,1162 3.635,1163 4.745,1164 3.656,1165 3.772,1166 3.833,1167 3.649,1168 3.6,1169 4.694,1170 3.601,1171 3.633,1172 3.681,1173 3.514,1174 3.464,1175 4.581,1176 3.471,1177 3.36,1178 3.425,1179 3.229,1180 3.178,1181 4.26,1182 3.176,1183 3.255,1184 3.345,1185 3.092,1186 3.031,1187 4.123,1188 3.034,1189 3.111,1190 3.206,1191 2.94,1192 2.941,1193 3.983,1194 2.91,1195 0.113,1196 0.085,1197 0.169,1198 0.104,1199 0.079,1200 4.39,1201 0.102,1202 3.319,1203 0.022,1204 6.596,1205 0.266,1206 4.046,1207 0.076,1208 3.095,1209 3.992,1210 0.86,1211 10.37,1212 2.955,1213 1.951,1214 1.922,1215 2.055,1216 2.08,1217 1.249,1218 2.07,1219 1.925,1220 1.893,1221 2.027,1222 2.042,1223 1.211,1224 2.043,1225 1.724,1226 1.673,1227 1.865,1228 1.92,1229 1.207,1230 1.905,1231 1.635,1232 1.58,1233 1.86,1234 1.849,1235 1.095,1236 1.845,1237 1.577,1238 1.507,1239 1.813,1240 1.751,1241 0.889,1242 1.793,1243 1.372,1244 1.295,1245 1.623,1246 1.61,1247 0.839,1248 1.618,1249 1.33,1250 1.27,1251 1.615,1252 1.562,1253 0.825,1254 1.577,1255 1.236,1256 1.14,1257 1.572,1258 1.5,1259 0.734,1260 1.531,1261 4.369,1263 5.687,1264 2.398,1265 7.2,1266 4.443,1267 8.798,1268 6.293,1269 10.442,1271 4.046,1276 9.563,1277 7.965,1278 3.458,1279 5.566,1282 6.87,1289 41.933,1290 102.623,1291 241.798,1292 331.572,1293 359.224,1294 365.978,1295 367.978,1296 48.695,1297 8.153,1298 76.99,1299 76.99,1300 29,1301 12.758,1302 4.248,1303 3.322,1304 52.06,1305 161,1306 159,1307 0.155,1308 255.208,1309 440.98,1310 614.468,1311 42422,1313 24.2,1314 0.691,1315 0.588,1316 24.2,1317 20.574,1318 17.102,1319 0.439,1320 0.317,1321 12.179,1322 16.377,1323 11.861,1324 9.806,1325 17.102,1326 12.375,1327 15.152,1328 0.281,1329 0.171,1330 15.152,1331 9.233,1332 13.114,1333 0.182,1334 0.095,1335 13.114,1336 6.808,1337 10.927,1338 0.116,1339 0.051,1340 10.927,1341 4.793,1342 8.749,1343 0.074,1344 0.026,1345 8.749,1346 3.067,1347 0.245,1348 107.36,1349 0.194,1350 32.097,1351 0.425,1352 186,1353 480.444,1354 203.612,1355 463.371,1356 648.9,1357 440,1358 219,1359 485.49,1360 237.585,1361 493.113,1362 723.78,1363 464,1364 7.683}
{0 CHEMBL1762537,1 1.472,2 12.722,3 5.229,4 27.337,5 146.781,6 6.787,7 0.45,8 4.366,9 4.501,10 3.862,11 3.852,12 5.359,13 3.826,14 4.94,15 5.143,16 4.202,17 4.254,18 5.87,19 4.202,20 5.188,21 5.419,22 4.275,23 4.444,24 6.054,25 4.353,26 5.262,27 5.507,28 4.248,29 4.492,30 6.118,31 4.368,32 5.305,33 5.564,34 4.289,35 4.498,36 6.146,37 4.383,38 5.296,39 5.545,40 4.3,41 4.469,42 6.181,43 4.369,44 5.324,45 5.584,46 4.258,47 4.445,48 6.208,49 4.337,50 5.312,51 5.585,52 4.169,53 4.415,54 6.132,55 4.292,56 0.062,57 1.092,58 16.854,59 6.334,60 10.204,61 9.182,62 0.401,63 1.758,64 31.829,65 10.362,66 31.545,67 15.378,68 0.422,69 2.156,70 40.942,71 13.324,72 37.401,73 20.441,74 0.427,75 2.262,76 43.954,77 15.788,78 44.278,79 23.476,80 0.395,81 2.318,82 46.279,83 15.499,84 45.27,85 23.925,86 0.529,87 2.338,88 46.249,89 14.14,90 49.568,91 22.06,92 0.66,93 2.299,94 48.248,95 14.195,96 63.125,97 22.456,98 0.555,99 2.246,100 47.663,101 14.241,102 49.805,103 22.435,104 11,105 55,106 0.23,107 0.541,108 0.752,109 0.823,110 0.838,111 0.842,112 3.616,113 0.966,114 -4.64,115 -4.56,116 -4.28,118 38.9,119 1,120 3,123 1,124 7,138 7,139 2,140 4,141 1,143 1,146 1,167 7,170 2,171 11,173 2,175 3,178 9,181 1,182 4,186 2,188 4,191 2,192 9,195 3,197 3,199 7,204 5,206 1,208 1,211 5,214 4,215 9,220 5,223 5,227 1,228 5,231 2,233 5,235 1,239 2,240 8,245 1,247 5,251 2,252 4,255 1,256 1,260 6,264 2444,265 24.817,266 24.817,267 24.817,268 24.817,269 24.817,270 22.719,271 44.609,272 14.82,273 25.504,274 19.732,275 19.732,276 19.732,277 19.732,278 19.732,279 16.412,280 78.311,281 7.031,282 20.855,283 4.698,284 2.703,285 1.353,286 0.893,287 0.799,288 0.771,289 4.324,294 1,295 1002,296 3.162,300 603.298,307 1.88,308 23.357,311 1,312 0.83,313 1,314 1,315 1,316 1,317 1,318 0.98,319 77,320 458,321 4.39,322 3.319,323 6.596,324 4.046,325 3.095,326 3.992,327 0.86,328 10.37,329 2.955,330 4.318,331 3.236,332 6.311,333 3.978,334 3.023,335 3.92,336 0.8,337 9.701,338 2.887,339 4.052,340 2.998,341 6.016,342 3.62,343 2.684,344 3.652,345 0.8,346 8.629,347 2.519,348 3.795,349 2.845,350 5.778,351 3.612,352 2.677,353 2.972,354 0.8,355 8.032,356 2.488,357 3.658,358 2.681,359 5.474,360 3.361,361 2.413,362 2.941,363 0.765,364 7.212,365 2.28,366 3.499,367 2.456,368 5.196,369 3.169,370 2.198,371 2.777,372 0.4,373 6.385,374 2.134,375 3.309,376 2.315,377 5.009,378 2.974,379 2.024,380 2.536,382 5.835,383 1.913,384 2.965,385 2.12,386 4.489,387 2.721,388 1.755,389 2.051,391 4.543,392 1.7,393 2.862,394 1.809,395 4.377,396 2.635,397 1.697,398 1.978,400 4.065,401 1.579,402 2.838,403 1.603,404 4.283,405 2.443,406 1.474,407 1.879,409 4.012,410 1.425,411 2.655,412 1.422,413 3.622,414 2.134,415 1.19,416 1.727,417 2.721,418 1.121,419 2.238,420 1.256,421 3.51,422 2.07,423 1.134,424 1.225,425 2.646,426 1.057,427 2.166,428 1.209,429 3.472,430 1.984,431 1,432 1.132,433 2.509,434 0.983,435 2.041,436 1.155,437 3.436,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.122,445 3.247,446 1.928,447 1,448 1,449 2.136,450 0.919,451 17.067,452 0.474,453 0.742,454 0.021,455 44.5,456 1.236,457 20,458 0.556,459 24.5,460 0.681,461 35.731,462 0.993,463 39.933,464 0.555,465 35.518,466 0.987,467 8.527,468 0.237,469 9.074,470 0.252,471 0.078,473 0.305,478 0.976,479 1.566,480 0.881,481 1.23,482 0.941,483 1.071,484 1.249,485 1.069,486 0.978,487 0.929,488 0.876,489 0.92,490 1.037,491 1.13,492 1.028,493 1.002,494 0.684,495 1.003,496 0.673,497 1.076,498 0.992,499 1.114,500 0.786,501 1.096,502 0.732,503 1.127,504 0.894,505 1.013,506 0.714,507 0.973,508 1.046,509 1.098,510 1.061,511 1.031,512 0.855,513 1.032,514 1.142,515 1.083,516 1.042,517 0.958,518 1.248,519 0.975,520 1.109,521 0.981,522 1.055,523 0.945,524 1.016,525 0.972,526 6.5,527 0.231,528 3.333,529 2.25,530 1.711,531 1.382,532 0.75,533 0.363,534 0.267,535 0.307,536 19918,537 43291,538 2.137,539 50,540 5,541 24,543 1,544 2,546 4,549 1.778,550 2.038,551 3.64,552 0.148,558 106.002,559 1.472,560 3.467,561 4.817,562 5.277,563 5.371,564 5.399,565 3.03,566 4.139,567 5.144,568 3.815,569 2403.19,570 9.06,571 38470.7,576 444.235,577 1.256,578 5.118,579 0.162,580 0.006,581 0.061,582 0.039,583 0.031,584 0.024,585 0.013,586 0.007,587 0.005,588 0.007,589 0.355,590 0.17,591 0.75,592 0.586,593 196.021,594 -0.026,595 -0.298,596 0.073,597 -0.1,598 -0.055,599 -0.018,600 -0.048,601 0.086,602 0.025,603 0.082,604 0.03,605 0.06,606 -0.088,607 -0.031,608 -0.048,609 0.002,610 0.013,611 -0.014,612 0.069,613 -0.026,614 -0.037,615 -0.088,616 0.009,617 -0.082,618 0.034,619 -0.101,620 0.071,621 -0.011,622 0.029,623 0.028,624 -0.042,625 -0.016,626 -0.066,627 -0.072,628 -0.015,629 -0.071,630 -0.019,631 -0.052,632 -0.033,633 -0.014,634 -0.031,635 -0.024,636 -0.095,637 0.039,638 -0.055,639 -0.008,640 -0.093,641 -0.019,642 1.49,643 3.579,644 0.833,645 39,646 0.993,647 1.134,648 3.405,649 11.596,650 0.644,651 3.714,652 4.025,653 4.304,654 4.564,655 4.828,656 4.868,657 5.03,658 5.153,659 5.288,660 5.389,661 7.721,662 0.604,663 488.7,664 3.714,665 5.252,666 6.103,667 6.974,668 7.84,669 8.718,670 9.59,671 10.47,672 11.345,673 12.227,674 8.3,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,716 72,718 18,719 2,720 40,722 76,723 28,724 16,725 6,726 6,728 5,729 5,732 2,735 3,738 3,740 16,741 12,760 36,761 8,762 2,763 8,769 6,775 1,776 2,777 1,788 1,794 5,817 1,818 1,819 5,823 2,827 36,832 1,833 10,834 1,835 1,838 3,850 2.8,851 1,854 1,858 17.667,859 13.283,860 7.972,861 4.485,863 3.394,864 1.412,865 0.975,866 8.023,867 11.624,868 3.912,869 4.46,870 4.999,871 5.545,872 6.087,873 6.28,874 6.634,875 6.991,876 7.348,877 7.699,878 1,879 58,880 13.331,881 5.568,882 7.509,883 26.284,884 21.741,885 2.009,886 72.333,890 400.217,891 139.439,892 60.955,894 53.683,897 139.439,898 453.901,899 60.955,900 17.222,901 25.211,902 109.017,903 56.342,904 53.829,905 4.227,906 388.446,908 400.217,909 200.394,910 53.683,913 353.133,914 47.084,915 53.683,917 66.118,918 100.705,919 33.571,921 400.217,922 114.638,923 139.439,926 400.217,927 46.836,928 101.976,929 18.011,930 87.254,931 400.217,932 114.638,933 139.439,935 0.575,936 0.34,937 0.186,938 0.107,939 26,940 11,941 0.092,942 7,944 1,945 4.626,946 351.687,948 30,949 178.117,954 24.97,955 11.568,956 6.006,958 114.638,959 16.365,960 9.334,964 7.766,966 60.694,967 654.295,968 49,980 71.519,981 81.637,983 0.239,984 0.562,985 0.781,986 0.855,987 0.871,988 0.875,989 5.156,990 1.755,991 6.071,992 5.835,993 4.71,994 5.147,995 1.924,996 6.862,997 4.605,998 6.324,999 1.697,1000 7.613,1001 4.543,1002 4.205,1003 4.844,1004 0.766,1005 7.692,1006 4.042,1007 7.61,1008 1.474,1009 9.255,1010 4.065,1011 6.282,1012 7.249,1013 1.438,1014 10.8,1015 6.076,1016 8.929,1017 1.19,1018 10.956,1019 4.012,1020 6.608,1021 7.75,1022 0.653,1023 12.453,1024 6.339,1025 10.28,1026 1.134,1027 12.695,1028 2.721,1029 8.126,1030 9.636,1031 1.108,1032 15.059,1033 7.819,1034 11.654,1035 1,1036 14.46,1037 2.646,1038 8.846,1039 10.521,1040 0.482,1041 17.062,1042 8.479,1043 13.044,1044 1,1045 16.244,1046 2.509,1047 10.124,1048 12.171,1049 0.851,1050 19.483,1051 9.719,1052 3.095,1053 1,1054 18.042,1055 2.136,1056 11.04,1057 13.261,1058 0.337,1059 21.648,1060 10.579,1061 3.023,1062 10.37,1063 19.85,1064 2.136,1065 12.213,1066 14.789,1067 0.643,1068 23.998,1069 11.713,1070 2.684,1071 9.701,1072 21.668,1073 3.992,1074 13.226,1075 15.995,1076 0.229,1077 26.239,1078 12.675,1079 2.677,1080 8.629,1081 23.492,1082 3.92,1083 14.357,1084 17.454,1085 0.478,1086 28.564,1087 13.765,1088 2.413,1089 8.032,1090 25.323,1091 3.652,1092 15.418,1093 18.728,1094 0.153,1095 30.842,1096 14.778,1097 2.198,1098 7.212,1099 27.158,1100 2.972,1101 16.532,1102 20.149,1103 0.351,1104 33.159,1105 15.85,1106 2.024,1107 6.385,1108 28.999,1109 2.941,1110 17.617,1111 21.463,1112 0.1,1113 35.457,1114 16.89,1115 18631,1116 27640,1117 27.334,1118 46.364,1119 59.465,1120 59.837,1121 60.727,1122 59.32,1123 59.303,1124 72.656,1125 8.849,1126 167.312,1127 56.188,1128 5.39,1129 5.319,1130 6.398,1131 5.15,1132 5.095,1133 6.992,1134 1.72,1135 17.479,1136 4.955,1137 14.186,1138 1.487,1139 1.496,1140 1.518,1141 1.483,1142 1.483,1143 1.816,1144 0.221,1145 4.183,1146 1.405,1147 4.038,1148 4.083,1149 3.985,1150 3.928,1151 6.457,1152 3.935,1153 3.955,1154 3.992,1155 3.9,1156 3.871,1157 5.022,1158 3.874,1159 3.803,1160 3.862,1161 3.746,1162 3.642,1163 4.744,1164 3.657,1165 3.777,1166 3.835,1167 3.651,1168 3.614,1169 4.694,1170 3.617,1171 3.645,1172 3.693,1173 3.526,1174 3.471,1175 4.58,1176 3.479,1177 3.361,1178 3.426,1179 3.23,1180 3.178,1181 4.26,1182 3.176,1183 3.256,1184 3.346,1185 3.095,1186 3.033,1187 4.124,1188 3.037,1189 3.111,1190 3.206,1191 2.963,1192 2.941,1193 3.984,1194 2.91,1195 0.11,1196 0.083,1197 0.165,1198 0.101,1199 0.077,1200 4.39,1201 0.1,1202 3.319,1203 0.022,1204 6.596,1205 0.259,1206 4.046,1207 0.074,1208 3.095,1209 3.992,1210 0.86,1211 10.37,1212 2.955,1213 1.956,1214 1.924,1215 2.081,1216 2.096,1217 1.405,1218 2.091,1219 1.94,1220 1.907,1221 2.054,1222 2.052,1223 1.236,1224 2.053,1225 1.776,1226 1.715,1227 1.978,1228 1.964,1229 1.207,1230 1.974,1231 1.721,1232 1.67,1233 1.854,1234 1.919,1235 1.032,1236 1.903,1237 1.609,1238 1.558,1239 1.796,1240 1.79,1241 0.846,1242 1.798,1243 1.332,1244 1.272,1245 1.616,1246 1.571,1247 0.825,1248 1.582,1249 1.239,1250 1.144,1251 1.576,1252 1.505,1253 0.825,1254 1.536,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.735,1260 1.429,1261 4.394,1263 5.707,1265 7.223,1267 8.825,1269 10.471,1271 4.051,1276 9.579,1277 9.27,1278 3.473,1279 5.582,1282 6.912,1289 43.46,1290 106.002,1291 249.617,1292 346.809,1293 379.97,1294 386.725,1295 388.725,1296 51.495,1297 8.23,1298 76.99,1299 76.99,1300 30,1301 12.763,1302 4.248,1303 3.322,1304 54.274,1305 168,1306 168,1307 0.155,1308 264.801,1309 458.28,1310 637.874,1311 46730,1313 24.907,1314 0.692,1315 0.591,1316 24.907,1317 21.281,1318 17.602,1319 0.44,1320 0.322,1321 12.679,1322 16.877,1323 12.352,1324 10.223,1325 17.602,1326 12.875,1327 15.505,1328 0.282,1329 0.174,1330 15.505,1331 9.587,1332 13.364,1333 0.183,1334 0.097,1335 13.364,1336 7.058,1337 11.104,1338 0.117,1339 0.052,1340 11.104,1341 4.97,1342 9.361,1343 0.075,1344 0.029,1345 9.361,1346 3.542,1347 0.244,1348 110.36,1349 0.191,1350 32.841,1351 0.423,1352 190,1353 484.444,1354 207.612,1355 467.533,1356 654.66,1357 444,1358 223,1359 489.49,1360 241.585,1361 497.274,1362 729.54,1363 468,1364 7.959}
{0 CHEMBL1762538,1 1.519,2 12.811,3 4.061,4 16.495,5 148.58,6 6.914,7 0.439,8 4.387,9 4.516,10 3.896,11 3.85,12 5.397,13 3.835,14 4.961,15 5.157,16 4.229,17 4.241,18 5.915,19 4.204,20 5.202,21 5.419,22 4.342,23 4.459,24 6.102,25 4.387,26 5.302,27 5.539,28 4.279,29 4.528,30 6.163,31 4.404,32 5.352,33 5.617,34 4.325,35 4.521,36 6.192,37 4.408,38 5.321,39 5.566,40 4.338,41 4.483,42 6.219,43 4.392,44 5.345,45 5.6,46 4.319,47 4.457,48 6.253,49 4.36,50 5.343,51 5.609,52 4.232,53 4.436,54 6.182,55 4.326,56 0.04,57 1.098,58 16.902,59 6.356,60 10.407,61 9.074,62 0.463,63 1.741,64 32.564,65 10.185,66 35.918,67 14.877,68 0.529,69 2.171,70 41.466,71 13.172,72 41.455,73 19.923,74 0.437,75 2.334,76 45.52,77 16.398,78 45.966,79 24.191,80 0.411,81 2.373,82 48.76,83 16.115,84 49.796,85 24.94,86 0.555,87 2.36,88 47.406,89 14.32,90 52.402,91 22.199,92 0.765,93 2.321,94 49.377,95 14.192,96 68.436,97 22.523,98 0.597,99 2.274,100 49.368,101 14.465,102 54.591,103 22.636,104 11,105 56,106 0.236,107 0.541,108 0.743,109 0.817,110 0.843,111 0.87,112 3.642,113 0.948,114 -3.9,115 -3.85,116 -3.66,118 38.4,119 1,120 1,123 1,124 9,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 2,171 11,173 2,175 3,178 8,181 2,182 3,186 2,188 4,191 2,192 9,195 3,197 3,199 5,204 7,206 1,208 1,211 3,214 4,215 8,220 4,223 4,227 2,228 5,231 3,233 4,239 2,240 6,245 1,247 5,251 4,252 1,255 1,256 1,260 6,264 2678,265 25.524,266 25.524,267 25.524,268 25.524,269 25.524,270 23.426,271 47.154,272 15.32,273 26.368,274 20.232,275 20.232,276 20.232,277 20.232,278 20.232,279 16.912,280 82.531,281 7.281,282 21.577,283 4.671,284 2.71,285 1.417,286 0.942,287 0.774,288 0.596,289 4.351,294 1,295 1034,296 3.162,300 495.494,301 136.652,307 1.901,308 27.207,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 80,320 474,321 4.39,322 3.319,323 6.596,324 4.046,325 3.095,326 3.992,327 0.86,328 10.37,329 2.955,330 4.318,331 3.238,332 6.311,333 3.976,334 3.022,335 3.92,336 0.86,337 9.701,338 2.886,339 4.052,340 3.003,341 6.015,342 3.619,343 2.681,344 3.652,345 0.8,346 8.628,347 2.519,348 3.792,349 2.846,350 5.778,351 3.606,352 2.677,353 2.971,354 0.8,355 8.032,356 2.478,357 3.658,358 2.684,359 5.474,360 3.359,361 2.412,362 2.941,363 0.8,364 7.212,365 2.277,366 3.498,367 2.466,368 5.196,369 3.167,370 2.197,371 2.776,372 0.765,373 6.384,374 2.13,375 3.308,376 2.35,377 5.008,378 2.968,379 2.023,380 2.536,381 0.4,382 5.834,383 1.899,384 2.967,385 2.281,386 4.486,387 2.711,388 1.779,389 2.05,391 4.533,392 1.655,393 2.864,394 2.098,395 4.377,396 2.635,397 1.722,398 1.979,400 4.062,401 1.567,402 2.85,403 1.666,404 4.278,405 2.444,406 1.477,407 1.889,409 4.012,410 1.425,411 2.655,412 1.527,413 3.64,414 2.212,415 1.26,416 1.727,417 3.02,418 1.197,419 2.386,420 1.431,421 3.619,422 2.16,423 1.247,424 1.378,425 2.664,426 1.129,427 2.247,428 1.322,429 3.489,430 2.121,431 1.175,432 1.247,433 2.606,434 1.102,435 2.194,436 1.256,437 3.436,438 1.952,439 1.041,440 1.167,441 2.581,442 0.946,443 2.041,444 1.208,445 3.414,446 1.944,447 1,448 1,449 2.136,450 0.931,451 17.4,452 0.47,453 0.742,454 0.02,455 45.5,456 1.23,457 20,458 0.541,459 25.5,460 0.689,461 36.633,462 0.99,463 41.4,464 0.567,465 37.652,466 1.018,467 9.031,468 0.244,469 9.071,470 0.245,471 0.077,473 0.299,478 0.965,479 1.605,480 0.858,481 1.269,482 0.942,483 1.079,484 1.375,485 1.043,486 0.998,487 0.891,488 0.989,489 0.889,490 1.101,491 1.11,492 1.043,493 0.971,494 0.767,495 0.987,496 0.666,497 1.127,498 1.04,499 1.182,500 0.773,501 1.17,502 0.637,503 1.1,504 0.838,505 0.989,506 0.648,507 0.942,508 1.001,509 1.102,510 1.053,511 1.036,512 0.851,513 1.036,514 0.979,515 1.086,516 1.009,517 0.962,518 1.162,519 0.975,520 1.075,521 0.991,522 1.043,523 0.956,524 1.009,525 0.974,526 6.5,527 0.244,528 3.333,529 2.313,530 1.715,531 1.361,532 0.801,533 0.393,534 0.278,535 0.304,536 21270,537 49525,538 2.133,539 49.3,540 3,541 28,543 1,544 2,547 2,549 1.785,550 2.037,551 3.648,552 0.162,558 110.869,559 1.519,560 3.479,561 4.773,562 5.247,563 5.415,564 5.594,565 3.04,566 4.885,567 5.183,568 3.833,569 2552.48,570 9.142,571 41669.7,576 451.857,577 1.241,578 5.159,579 0.159,580 0.006,581 0.06,582 0.037,583 0.031,584 0.023,585 0.014,586 0.007,587 0.005,588 0.006,589 0.347,590 0.33,591 0.75,592 0.575,593 203.073,594 -0.036,595 -0.33,596 0.075,597 -0.131,598 -0.067,599 -0.031,600 -0.12,601 0.103,602 0.007,603 0.113,604 -0.031,605 0.077,606 -0.1,607 0.007,608 -0.065,609 0.038,610 -0.031,611 -0.002,612 0.029,613 -0.064,614 -0.101,615 -0.142,616 -0.015,617 -0.146,618 0.047,619 -0.088,620 0.115,621 0.013,622 0.057,623 0.067,624 -0.062,625 -0.02,626 -0.069,627 -0.072,628 -0.03,629 -0.07,630 0.042,631 -0.047,632 -0.01,633 -0.017,634 -0.004,635 -0.021,636 -0.099,637 0.029,638 -0.048,639 -0.014,640 -0.1,641 -0.016,642 1.497,643 3.587,644 0.838,645 40.476,646 0.998,647 1.135,648 2.666,649 7.109,650 0.641,651 3.738,652 4.043,653 4.317,654 4.575,655 4.836,656 4.92,657 5.043,658 5.176,659 5.308,660 5.425,661 7.833,662 0.605,663 504.7,664 3.738,665 5.273,666 6.12,667 6.989,668 7.853,669 8.728,670 9.599,671 10.477,672 11.351,673 12.231,674 8.2,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,716 73,718 18,719 2,720 41,722 77,723 28,724 16,725 6,726 6,728 5,729 5,732 2,735 1,738 1,740 16,741 12,760 36,761 9,762 2,763 9,769 6,775 1,776 3,777 1,788 1,794 4,795 1,817 1,818 2,819 5,823 2,827 37,832 1,833 10,834 1,835 2,838 3,850 4.1,851 1,854 2,858 18.167,859 13.45,860 8.222,861 4.401,863 3.391,864 1.408,865 0.967,866 8.538,867 11.692,868 3.932,869 4.472,870 5.006,871 5.549,872 6.089,873 6.293,874 6.636,875 6.997,876 7.354,877 7.71,878 1,879 62,880 13.694,881 5.699,882 7.55,883 26.819,884 21.948,885 2.05,886 75.833,890 400.217,891 143.555,892 60.955,894 64.683,897 143.555,898 464.901,899 60.955,900 17.222,901 29.327,902 109.017,903 67.342,904 53.829,905 4.227,906 388.446,908 400.217,909 204.51,910 64.683,913 376.675,914 23.542,915 64.683,917 70.234,918 100.705,919 33.571,921 400.217,922 125.638,923 143.555,926 400.217,927 50.952,928 101.976,929 18.011,930 98.254,931 400.217,932 125.638,933 143.555,935 0.573,936 0.338,937 0.185,938 0.106,939 26,940 11,941 0.091,942 7,944 1,945 4.685,946 364.94,948 31,949 183.24,954 25.89,955 12.202,956 6.4,958 125.638,959 16.215,960 9.324,964 7.552,966 60.694,967 669.41,968 50,980 72.847,981 82.846,983 0.245,984 0.562,985 0.771,986 0.848,987 0.875,988 0.904,989 5.173,990 1.779,991 6.084,992 5.834,993 4.727,994 5.159,995 2.12,996 6.87,997 4.61,998 6.336,999 1.722,1000 7.623,1001 4.533,1002 4.205,1003 4.844,1004 0.766,1005 7.692,1006 4.042,1007 7.619,1008 1.477,1009 9.262,1010 4.062,1011 6.293,1012 7.253,1013 1.669,1014 10.802,1015 6.071,1016 8.935,1017 1.26,1018 10.96,1019 4.012,1020 6.608,1021 7.75,1022 0.653,1023 12.453,1024 6.339,1025 10.285,1026 1.247,1027 12.698,1028 3.02,1029 8.128,1030 9.637,1031 1.345,1032 15.059,1033 7.808,1034 11.657,1035 1.175,1036 14.462,1037 2.664,1038 8.846,1039 10.521,1040 0.482,1041 17.062,1042 8.478,1043 13.046,1044 1.041,1045 16.245,1046 2.606,1047 10.122,1048 12.171,1049 1.078,1050 19.483,1051 9.708,1052 3.095,1053 1,1054 18.042,1055 2.581,1056 11.039,1057 13.261,1058 0.337,1059 21.648,1060 10.577,1061 3.022,1062 10.37,1063 19.85,1064 2.136,1065 12.211,1066 14.788,1067 0.852,1068 23.998,1069 11.704,1070 2.681,1071 9.701,1072 21.668,1073 3.992,1074 13.225,1075 15.995,1076 0.229,1077 26.239,1078 12.671,1079 2.677,1080 8.628,1081 23.492,1082 3.92,1083 14.354,1084 17.454,1085 0.663,1086 28.563,1087 13.757,1088 2.412,1089 8.032,1090 25.323,1091 3.652,1092 15.415,1093 18.728,1094 0.153,1095 30.842,1096 14.773,1097 2.197,1098 7.212,1099 27.158,1100 2.971,1101 16.529,1102 20.149,1103 0.509,1104 33.159,1105 15.844,1106 2.023,1107 6.384,1108 28.998,1109 2.941,1110 17.615,1111 21.462,1112 0.1,1113 35.457,1114 16.884,1115 19935,1116 30563,1117 28.027,1118 46.819,1119 60.53,1120 60.969,1121 61.987,1122 60.2,1123 60.194,1124 73.539,1125 10.569,1126 168.996,1127 56.571,1128 5.39,1129 5.319,1130 6.398,1131 5.15,1132 5.095,1133 6.992,1134 1.72,1135 17.479,1136 4.955,1137 14.461,1138 1.476,1139 1.487,1140 1.512,1141 1.468,1142 1.468,1143 1.794,1144 0.258,1145 4.122,1146 1.38,1147 4.035,1148 4.079,1149 3.983,1150 3.925,1151 6.457,1152 3.932,1153 3.952,1154 3.988,1155 3.898,1156 3.868,1157 5.022,1158 3.871,1159 3.795,1160 3.848,1161 3.745,1162 3.627,1163 4.751,1164 3.651,1165 3.754,1166 3.813,1167 3.631,1168 3.547,1169 4.694,1170 3.557,1171 3.637,1172 3.681,1173 3.519,1174 3.46,1175 4.603,1176 3.466,1177 3.361,1178 3.426,1179 3.23,1180 3.178,1181 4.554,1182 3.176,1183 3.271,1184 3.356,1185 3.1,1186 3.105,1187 4.129,1188 3.083,1189 3.253,1190 3.342,1191 3.053,1192 3.031,1193 4.015,1194 3.034,1195 0.107,1196 0.081,1197 0.161,1198 0.099,1199 0.075,1200 4.39,1201 0.097,1202 3.319,1203 0.021,1204 6.596,1205 0.253,1206 4.046,1207 0.072,1208 3.095,1209 3.992,1210 0.86,1211 10.37,1212 2.955,1213 1.952,1214 1.923,1215 2.055,1216 2.084,1217 1.269,1218 2.074,1219 1.93,1220 1.898,1221 2.035,1222 2.045,1223 1.207,1224 2.046,1225 1.724,1226 1.674,1227 1.888,1228 1.92,1229 1.199,1230 1.907,1231 1.657,1232 1.596,1233 1.843,1234 1.881,1235 1.076,1236 1.878,1237 1.57,1238 1.513,1239 1.807,1240 1.79,1241 0.969,1242 1.799,1243 1.485,1244 1.426,1245 1.73,1246 1.708,1247 0.844,1248 1.718,1249 1.332,1250 1.272,1251 1.616,1252 1.569,1253 0.825,1254 1.581,1255 1.238,1256 1.142,1257 1.575,1258 1.503,1259 0.734,1260 1.534,1261 4.419,1263 5.727,1265 7.229,1266 2.708,1267 8.819,1268 4.977,1269 10.457,1271 4.036,1276 9.587,1277 7.603,1278 3.458,1279 11.273,1282 6.784,1289 44.175,1290 110.869,1291 253.994,1292 348.431,1293 383.063,1294 395.328,1295 408.347,1296 54.43,1297 8.302,1298 86.22,1299 86.22,1300 31,1301 12.768,1302 4.248,1303 3.322,1304 56.533,1305 174,1306 178,1307 0.155,1308 268.797,1309 467.07,1310 647.625,1311 51321,1313 25.614,1314 0.692,1315 0.586,1316 25.614,1317 21.69,1318 18.102,1319 0.442,1320 0.316,1321 12.717,1322 17.231,1323 12.402,1324 10.219,1325 18.102,1326 12.952,1327 15.859,1328 0.283,1329 0.169,1330 15.859,1331 9.492,1332 13.614,1333 0.184,1334 0.094,1335 13.614,1336 6.924,1337 11.281,1338 0.118,1339 0.05,1340 11.281,1341 4.822,1342 9.486,1343 0.076,1344 0.027,1345 9.486,1346 3.361,1347 0.243,1348 114.36,1349 0.189,1350 33.56,1351 0.423,1352 194,1353 532.179,1354 214.49,1355 504.68,1356 699.78,1357 480,1358 227,1359 513.126,1360 248.298,1361 519.054,1362 761.66,1363 488,1364 7.553}
{0 CHEMBL1762539,1 1.493,2 13.297,3 4.269,4 18.221,5 150.69,6 6.807,7 0.439,8 4.397,9 4.534,10 3.895,11 3.858,12 5.398,13 3.837,14 4.97,15 5.182,16 4.237,17 4.257,18 5.902,19 4.216,20 5.196,21 5.417,22 4.312,23 4.471,24 6.082,25 4.386,26 5.323,27 5.572,28 4.276,29 4.537,30 6.165,31 4.406,32 5.369,33 5.643,34 4.31,35 4.519,36 6.188,37 4.401,38 5.304,39 5.553,40 4.33,41 4.475,42 6.197,43 4.384,44 5.337,45 5.592,46 4.298,47 4.469,48 6.238,49 4.365,50 5.354,51 5.631,52 4.227,53 4.442,54 6.173,55 4.324,56 0.057,57 1.139,58 17.403,59 6.208,60 11.207,61 9.251,62 0.463,63 1.805,64 33.109,65 9.784,66 33.82,67 15.093,68 0.459,69 2.207,70 41.085,71 13.2,72 37.559,73 20.345,74 0.42,75 2.362,76 46.699,77 16.819,78 46.249,79 25.164,80 0.452,81 2.392,82 49.842,83 15.923,84 49.645,85 25.159,86 0.543,87 2.344,88 46.685,89 13.804,90 49.975,91 21.924,92 0.703,93 2.329,94 48.787,95 14.312,96 65.23,97 22.701,98 0.56,99 2.303,100 49.823,101 14.483,102 51.929,103 23.284,104 18,105 57,106 0.232,107 0.533,108 0.729,109 0.823,110 0.837,111 0.842,112 3.642,113 0.948,114 -3.9,115 -3.85,116 -3.66,118 37.8,119 1,123 2,124 9,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 2,171 9,173 2,175 3,178 8,181 2,182 3,186 2,188 4,191 2,192 9,195 3,197 3,199 3,204 7,206 1,208 1,211 3,214 4,215 7,220 3,223 3,227 2,228 5,231 3,233 4,239 2,240 4,245 1,247 5,251 4,255 1,256 1,260 6,264 2701,265 25.264,266 25.264,267 25.264,268 25.264,269 25.264,270 23.166,271 47.037,272 14.907,273 26.071,274 20.198,275 20.198,276 20.198,277 20.198,278 20.198,279 16.879,280 83.526,281 7.068,282 21.492,283 4.716,284 2.778,285 1.509,286 0.906,287 0.814,288 0.787,289 4.349,294 1,295 1072,296 3.24,300 624.853,307 1.857,308 24.329,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 79.5,320 492,321 4.39,322 3.319,323 6.596,324 4.046,325 3.095,326 3.992,327 0.86,328 10.37,329 2.955,330 4.319,331 3.245,332 6.313,333 3.98,334 3.027,335 3.92,336 0.8,337 9.705,338 2.888,339 4.052,340 3.029,341 6.02,342 3.638,343 2.712,344 3.652,345 0.8,346 8.645,347 2.521,348 3.809,349 2.85,350 5.778,351 3.618,352 2.678,353 2.979,354 0.8,355 8.033,356 2.504,357 3.662,358 2.703,359 5.476,360 3.377,361 2.432,362 2.941,363 0.8,364 7.22,365 2.292,366 3.51,367 2.601,368 5.198,369 3.226,370 2.289,371 2.78,372 0.765,373 6.406,374 2.159,375 3.362,376 2.439,377 5.072,378 3.119,379 2.158,380 2.547,381 0.4,382 6.103,383 2.054,384 3.246,385 2.305,386 4.959,387 2.921,388 1.982,389 2.343,391 5.735,392 1.852,393 2.92,394 2.102,395 4.454,396 2.659,397 1.734,398 2.028,400 4.422,401 1.599,402 2.859,403 1.663,404 4.371,405 2.449,406 1.483,407 1.943,409 4.014,410 1.429,411 2.656,412 1.52,413 4.185,414 2.271,415 1.328,416 1.728,417 3.671,418 1.247,419 2.528,420 1.319,421 3.621,422 2.127,423 1.178,424 1.532,425 2.667,426 1.115,427 2.196,428 1.256,429 3.49,430 1.967,431 1.047,432 1.17,433 2.589,434 0.965,435 2.041,436 1.208,437 3.436,438 1.952,439 1,440 1,441 2.275,442 0.946,443 2,444 1.146,445 3.414,446 1.949,447 1,448 1,449 2.136,450 0.935,451 17.467,452 0.472,453 0.848,454 0.023,455 45.75,456 1.236,457 20,458 0.541,459 25.75,460 0.696,461 36.546,462 0.988,463 41.333,464 0.559,465 38.071,466 1.029,467 9.138,468 0.247,469 8.858,470 0.239,471 0.105,473 0.321,478 0.993,479 1.674,480 0.877,481 1.279,482 0.959,483 1.094,484 1.364,485 1.002,486 0.974,487 0.824,488 0.903,489 0.837,490 1.072,491 1.13,492 1.096,493 1.047,494 0.728,495 1.062,496 0.607,497 1.119,498 0.985,499 1.175,500 0.759,501 1.14,502 0.724,503 1.068,504 0.849,505 0.955,506 0.682,507 0.917,508 1.056,509 1.097,510 1.047,511 1.021,512 0.855,513 1.018,514 1.091,515 1.083,516 1.059,517 1.005,518 1.27,519 1.02,520 1.041,521 1.03,522 0.998,523 0.958,524 0.969,525 0.959,526 7.5,527 0.281,528 3.778,529 2.313,530 1.902,531 1.493,532 0.829,533 0.465,534 0.353,535 0.387,536 21327,537 47536,538 2.116,539 50,540 3,541 31,543 1,544 2,549 1.785,550 2,551 3.689,552 0.162,558 110.492,559 1.493,560 3.432,561 4.7,562 5.304,563 5.395,564 5.422,565 3.06,566 4.939,567 5.182,568 3.853,569 2565.81,570 9.14,571 41935,576 459.5,577 1.338,578 5.15,579 0.183,580 0.007,581 0.066,582 0.039,583 0.034,584 0.025,585 0.014,586 0.008,587 0.007,588 0.008,589 0.391,590 0.33,591 0.75,592 0.629,593 203.294,594 -0.028,595 -0.382,596 0.078,597 -0.142,598 -0.07,599 -0.039,600 -0.106,601 0.166,602 0.041,603 0.165,604 0.011,605 0.127,606 -0.113,607 0.006,608 -0.119,609 -0.023,610 -0.025,611 -0.064,612 0.082,613 -0.082,614 -0.04,615 -0.128,616 0.016,617 -0.109,618 0.039,619 -0.072,620 0.117,621 0.038,622 0.052,623 0.083,624 -0.054,625 -0.012,626 -0.054,627 -0.054,628 -0.009,629 -0.052,630 0.007,631 -0.042,632 -0.056,633 -0.043,634 -0.046,635 -0.058,636 -0.064,637 -0.028,638 -0.003,639 -0.012,640 -0.061,641 0.002,642 1.493,643 3.589,644 0.811,645 41.081,646 0.995,647 1.137,648 2.666,649 7.109,650 0.64,651 3.738,652 4.06,653 4.331,654 4.585,655 4.86,656 4.913,657 5.056,658 5.198,659 5.338,660 5.46,661 7.892,662 0.601,663 503.72,664 3.738,665 5.283,666 6.133,667 7.008,668 7.874,669 8.752,670 9.624,671 10.505,672 11.381,673 12.263,674 9.5,677 1,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,716 74,718 18,719 2,720 41,722 78,723 28,724 16,725 6,726 6,728 5,729 5,732 2,740 16,741 12,760 37,761 9,762 2,763 9,769 7,775 1,776 2,777 1,788 1,794 5,816 1,817 1,818 1,819 5,823 3,827 37,832 1,833 9,834 1,835 1,838 4,850 2.7,851 1,854 1,858 18.5,859 13.983,860 8.139,861 4.385,863 3.391,864 1.408,865 0.971,866 8.227,867 11.692,868 3.932,869 4.483,870 5.012,871 5.552,872 6.096,873 6.295,874 6.645,875 7.012,876 7.37,877 7.732,878 0.889,879 60,880 13.687,881 5.693,882 7.523,883 26.882,884 22.063,885 2.023,886 74.833,890 411.989,891 144.443,892 64.079,894 53.683,897 144.443,898 465.672,899 64.079,900 25.618,901 21.819,902 109.017,903 56.342,904 56.954,905 4.227,906 400.217,908 411.989,909 208.522,910 53.683,913 411.989,915 53.683,917 65.85,918 109.101,919 33.571,921 411.989,922 117.762,923 144.443,926 411.989,927 43.444,928 113.496,929 18.011,930 87.254,931 411.989,932 117.762,933 144.443,935 0.58,936 0.34,937 0.182,938 0.106,939 27,940 12,941 0.09,942 7,944 1,945 4.68,946 365.069,948 30,949 184.75,954 25.89,955 11.757,956 6.224,958 117.762,959 16.315,960 9.341,964 7.678,966 60.694,967 674.194,968 50,980 73.621,981 84.135,983 0.24,984 0.553,985 0.757,986 0.854,987 0.869,988 0.873,989 5.185,990 1.982,991 6.111,992 6.103,993 4.745,994 5.17,995 2.055,996 6.905,997 4.629,998 6.357,999 1.734,1000 7.659,1001 5.735,1002 4.29,1003 4.89,1004 0.931,1005 7.74,1006 4.116,1007 7.645,1008 1.483,1009 9.302,1010 4.422,1011 6.326,1012 7.266,1013 1.542,1014 10.833,1015 6.103,1016 8.964,1017 1.328,1018 11.001,1019 4.014,1020 6.673,1021 7.771,1022 0.801,1023 12.476,1024 6.392,1025 10.314,1026 1.178,1027 12.737,1028 3.671,1029 8.169,1030 9.646,1031 1.194,1032 15.078,1033 7.844,1034 11.685,1035 1.047,1036 14.498,1037 2.667,1038 8.895,1039 10.53,1040 0.602,1041 17.074,1042 8.516,1043 13.072,1044 1,1045 16.277,1046 2.589,1047 10.162,1048 12.176,1049 0.92,1050 19.493,1051 9.74,1052 3.095,1053 1,1054 18.07,1055 2.275,1056 11.078,1057 13.265,1058 0.428,1059 21.654,1060 10.605,1061 3.027,1062 10.37,1063 19.874,1064 2.136,1065 12.246,1066 14.791,1067 0.698,1068 24.004,1069 11.73,1070 2.712,1071 9.705,1072 21.688,1073 3.992,1074 13.257,1075 15.997,1076 0.295,1077 26.243,1078 12.694,1079 2.678,1080 8.645,1081 23.509,1082 3.92,1083 14.384,1084 17.456,1085 0.52,1086 28.568,1087 13.778,1088 2.432,1089 8.033,1090 25.337,1091 3.652,1092 15.443,1093 18.729,1094 0.199,1095 30.846,1096 14.792,1097 2.289,1098 7.22,1099 27.171,1100 2.979,1101 16.556,1102 20.15,1103 0.382,1104 33.163,1105 15.861,1106 2.158,1107 6.406,1108 29.009,1109 2.941,1110 17.64,1111 21.463,1112 0.132,1113 35.461,1114 16.9,1115 20031,1116 30069,1117 27.739,1118 47.37,1119 61.192,1120 61.42,1121 62.763,1122 60.869,1123 60.856,1124 74.202,1125 10.449,1126 173.429,1127 57.298,1128 5.39,1129 5.319,1130 6.398,1131 5.15,1132 5.095,1133 6.992,1134 1.72,1135 17.479,1136 4.955,1137 16.867,1138 1.492,1139 1.498,1140 1.531,1141 1.485,1142 1.484,1143 1.81,1144 0.255,1145 4.23,1146 1.398,1147 4.038,1148 4.084,1149 3.985,1150 3.926,1151 6.457,1152 3.933,1153 3.955,1154 3.992,1155 3.9,1156 3.869,1157 5.022,1158 3.872,1159 3.801,1160 3.865,1161 3.747,1162 3.628,1163 4.745,1164 3.653,1165 3.775,1166 3.836,1167 3.661,1168 3.572,1169 4.694,1170 3.584,1171 3.647,1172 3.697,1173 3.533,1174 3.465,1175 4.581,1176 3.474,1177 3.361,1178 3.427,1179 3.231,1180 3.178,1181 4.35,1182 3.176,1183 3.259,1184 3.349,1185 3.102,1186 3.034,1187 4.126,1188 3.039,1189 3.195,1190 3.296,1191 3.027,1192 2.955,1193 3.992,1194 2.957,1195 0.107,1196 0.081,1197 0.161,1198 0.099,1199 0.075,1200 4.39,1201 0.097,1202 3.319,1203 0.021,1204 6.596,1205 0.253,1206 4.046,1207 0.072,1208 3.095,1209 3.992,1210 0.86,1211 10.37,1212 2.955,1213 1.954,1214 1.923,1215 2.059,1216 2.097,1217 1.313,1218 2.087,1219 1.936,1220 1.903,1221 2.049,1222 2.052,1223 1.223,1224 2.052,1225 1.741,1226 1.68,1227 1.947,1228 1.968,1229 1.207,1230 1.966,1231 1.718,1232 1.657,1233 1.852,1234 1.919,1235 1.017,1236 1.903,1237 1.603,1238 1.549,1239 1.793,1240 1.795,1241 0.846,1242 1.799,1243 1.332,1244 1.272,1245 1.616,1246 1.571,1247 0.825,1248 1.583,1249 1.24,1250 1.145,1251 1.577,1252 1.507,1253 0.825,1254 1.537,1255 1.174,1256 1.073,1257 1.535,1258 1.455,1259 0.735,1260 1.485,1261 4.419,1263 5.74,1265 7.259,1267 8.863,1269 10.509,1271 6.224,1276 9.589,1277 7.386,1278 3.472,1279 5.589,1282 9.24,1289 44.481,1290 110.492,1291 253.956,1292 347.809,1293 392.48,1294 399.235,1295 401.235,1296 53.182,1297 8.302,1298 80.23,1299 80.23,1300 30,1301 12.799,1302 4.248,1303 3.322,1304 56.552,1305 175,1306 178,1307 0.154,1308 271.595,1309 469.28,1310 654.452,1311 50773,1313 25.777,1314 0.697,1315 0.595,1316 25.777,1317 22.022,1318 17.996,1319 0.439,1320 0.316,1321 12.722,1322 17.159,1323 12.339,1324 10.212,1325 17.996,1326 12.954,1327 16.127,1328 0.283,1329 0.172,1330 16.127,1331 9.829,1332 13.774,1333 0.184,1334 0.096,1335 13.774,1336 7.205,1337 11.255,1338 0.116,1339 0.05,1340 11.255,1341 4.882,1342 9.585,1343 0.075,1344 0.027,1345 9.585,1346 3.501,1347 0.242,1348 113.42,1349 0.19,1350 33.591,1351 0.42,1352 196,1353 510.089,1354 215.36,1355 491.158,1356 684.46,1357 466,1358 230,1359 508.25,1360 250.806,1361 517.726,1362 757.59,1363 485,1364 7.495}
{0 CHEMBL1762540,1 1.554,2 13.297,3 3.706,4 13.734,5 147.558,6 7.023,7 0.439,8 4.382,9 4.514,10 3.9,11 3.829,12 5.433,13 3.819,14 4.941,15 5.141,16 4.244,17 4.228,18 5.916,19 4.199,20 5.185,21 5.401,22 4.318,23 4.43,24 6.131,25 4.362,26 5.277,27 5.512,28 4.277,29 4.495,30 6.186,31 4.38,32 5.327,33 5.59,34 4.311,35 4.495,36 6.177,37 4.385,38 5.298,39 5.545,40 4.337,41 4.454,42 6.222,43 4.37,44 5.325,45 5.577,46 4.303,47 4.434,48 6.264,49 4.342,50 5.325,51 5.595,52 4.238,53 4.402,54 6.205,55 4.296,56 0.105,57 1.107,58 16.612,59 5.975,60 14.907,61 8.701,62 0.435,63 1.749,64 31.42,65 9.447,66 33.296,67 14.256,68 0.534,69 2.128,70 40.524,71 12.517,72 46.802,73 19.031,74 0.511,75 2.249,76 44.408,77 15.719,78 55.596,79 23.212,80 0.419,81 2.314,82 47.432,83 15.303,84 48.517,85 24.019,86 0.544,87 2.297,88 46.121,89 13.483,90 53.303,91 21.34,92 0.747,93 2.253,94 48.299,95 13.712,96 72.956,97 21.687,98 0.668,99 2.203,100 48.549,101 13.76,102 63.281,103 22.079,104 18,105 57,106 0.243,107 0.557,108 0.744,109 0.828,110 0.842,111 0.847,112 3.642,113 0.93,114 -3.78,115 -3.74,116 -3.56,118 37.5,119 1,123 1,124 9,138 7,139 2,140 4,141 1,143 1,146 1,163 1,167 5,170 2,171 9,173 2,175 3,178 8,181 2,182 3,186 2,188 4,191 2,192 9,195 4,197 3,199 3,204 7,206 1,208 1,211 3,214 4,215 7,220 5,223 3,227 2,228 5,231 3,233 4,239 2,240 4,243 1,244 1,245 2,247 5,251 4,255 1,256 1,260 6,264 2701,265 25.264,266 25.264,267 25.264,268 25.264,269 25.264,270 23.166,271 45.855,272 14.907,273 26.05,274 20.198,275 20.198,276 20.198,277 20.198,278 20.198,279 16.879,280 79.91,281 7.068,282 21.448,283 4.615,284 2.6,285 1.402,286 0.865,287 0.771,288 0.743,289 4.349,294 1,295 1072,296 3.24,300 624.853,307 1.857,308 29.609,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 80.5,320 492,321 4.39,322 4.046,323 6.596,324 4.046,325 3.095,326 3.992,327 1.812,328 10.37,329 2.955,330 4.319,331 3.318,332 6.313,333 3.981,334 3.027,335 3.92,336 0.86,337 9.705,338 2.889,339 4.052,340 3.231,341 6.02,342 3.64,343 2.712,344 3.652,345 0.8,346 8.645,347 2.523,348 3.809,349 2.985,350 5.778,351 3.618,352 2.678,353 2.979,354 0.8,355 8.033,356 2.508,357 3.662,358 2.844,359 5.476,360 3.379,361 2.432,362 2.941,363 0.8,364 7.22,365 2.296,366 3.51,367 2.679,368 5.198,369 3.235,370 2.289,371 2.78,372 0.765,373 6.406,374 2.172,375 3.362,376 2.453,377 5.072,378 3.124,379 2.158,380 2.547,381 0.4,382 6.103,383 2.075,384 3.246,385 2.312,386 4.959,387 2.923,388 1.982,389 2.343,391 5.735,392 1.857,393 2.92,394 2.113,395 4.454,396 2.659,397 1.734,398 2.028,400 4.422,401 1.6,402 2.859,403 1.716,404 4.371,405 2.449,406 1.483,407 1.943,409 4.014,410 1.429,411 2.656,412 1.568,413 4.185,414 2.276,415 1.328,416 1.728,417 3.671,418 1.255,419 2.528,420 1.374,421 3.621,422 2.127,423 1.178,424 1.532,425 2.667,426 1.115,427 2.196,428 1.256,429 3.49,430 1.967,431 1.047,432 1.17,433 2.589,434 0.965,435 2.041,436 1.208,437 3.436,438 1.952,439 1,440 1,441 2.275,442 0.946,443 2,444 1.146,445 3.414,446 1.95,447 1,448 1,449 2.136,450 0.936,451 17.3,452 0.468,453 0.848,454 0.023,455 45.75,456 1.236,457 20,458 0.541,459 25.75,460 0.696,461 36.102,462 0.976,463 41.5,464 0.576,465 38.514,466 1.041,467 9.201,468 0.249,469 8.794,470 0.238,471 0.096,473 0.324,478 0.934,479 1.604,480 0.854,481 1.228,482 0.949,483 1.059,484 1.2,485 1.061,486 0.955,487 0.884,488 0.794,489 0.871,490 1.148,491 1.094,492 1.093,493 0.998,494 0.946,495 1.022,496 0.69,497 1.098,498 1.017,499 1.164,500 0.867,501 1.152,502 0.619,503 1.125,504 0.849,505 1.016,506 0.528,507 0.968,508 0.927,509 1.108,510 1.019,511 1.036,512 0.672,513 1.025,514 1.043,515 1.069,516 1.039,517 0.985,518 1.103,519 1.001,520 0.906,521 1.012,522 0.982,523 0.963,524 0.797,525 0.967,526 7.5,527 0.281,528 3.778,529 2.313,530 1.902,531 1.493,532 0.829,533 0.465,534 0.353,535 0.387,536 21327,537 52144,538 2.116,539 48.6,540 3,541 28,543 1,544 3,549 1.785,550 2,551 3.689,552 0.809,558 111.921,559 1.554,560 3.57,561 4.768,562 5.305,563 5.399,564 5.427,565 3.06,566 4.939,567 5.182,568 3.853,569 2565.81,570 9.14,571 41935,576 444.235,577 1.338,578 5.15,579 0.183,580 0.007,581 0.066,582 0.039,583 0.034,584 0.025,585 0.014,586 0.008,587 0.007,588 0.008,589 0.391,590 0.33,591 0.63,592 0.629,593 203.294,594 0.004,595 -0.311,596 0.067,597 -0.092,598 -0.077,599 -0.021,600 -0.107,601 0.115,602 0.025,603 0.119,604 -0.015,605 0.096,606 -0.156,607 0.027,608 -0.124,609 0.015,610 -0.09,611 -0.039,612 0.051,613 -0.046,614 -0.079,615 -0.111,616 -0.045,617 -0.123,618 0.039,619 -0.111,620 0.098,621 -0.003,622 0.037,623 0.05,624 -0.052,625 -0.029,626 -0.046,627 -0.068,628 0.01,629 -0.054,630 -0.023,631 -0.039,632 -0.045,633 -0.029,634 -0.055,635 -0.04,636 -0.001,637 -0.008,638 0.006,639 -0.018,640 -0.004,641 -0.002,642 1.507,643 3.821,644 0.811,645 41.081,646 1.001,647 1.138,648 2.549,649 6.499,650 0.64,651 3.738,652 4.06,653 4.331,654 4.585,655 4.86,656 4.913,657 5.056,658 5.198,659 5.338,660 5.46,661 7.892,662 0.607,663 505.69,664 3.738,665 5.283,666 6.133,667 7.008,668 7.874,669 8.752,670 9.624,671 10.505,672 11.381,673 12.263,674 9.7,677 1,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,716 72,718 18,719 2,720 41,722 76,723 27,724 16,725 6,726 6,728 5,729 5,732 2,740 16,741 11,760 35,761 10,762 3,763 10,769 7,775 1,776 3,777 1,788 1,794 5,814 1,817 2,818 1,819 5,823 2,827 37,832 2,833 9,834 1,835 1,838 4,850 4.2,851 2,854 1,858 18.5,859 13.183,860 8.139,861 4.225,863 3.391,864 1.408,865 0.956,866 8.197,867 11.692,868 3.932,869 4.483,870 5.012,871 5.552,872 6.096,873 6.295,874 6.645,875 7.012,876 7.37,877 7.732,878 0.889,879 60,880 13.682,881 5.744,882 7.631,883 26.583,884 21.851,885 2.131,886 78.833,890 376.675,891 136.047,892 60.955,894 96.489,897 136.047,898 473.164,899 60.955,900 17.222,901 21.819,902 151.823,903 56.342,904 53.829,905 4.227,906 364.904,908 376.675,909 197.002,910 96.489,913 376.675,915 96.489,917 62.726,918 100.705,919 33.571,921 376.675,922 157.444,923 136.047,926 376.675,927 43.444,928 101.976,929 18.011,930 130.06,931 376.675,932 157.444,933 136.047,935 0.58,936 0.34,937 0.182,938 0.106,939 27,940 12,941 0.092,942 7,944 1,945 4.68,946 365.069,948 30,949 184.75,954 25.853,955 11.731,956 6.208,958 157.444,959 16.003,960 9.275,964 7.321,966 103.5,967 670.166,968 50,980 72.065,981 81.929,983 0.252,984 0.579,985 0.773,986 0.86,987 0.875,988 0.88,989 5.185,990 1.982,991 6.111,992 6.103,993 4.745,994 5.17,995 2.509,996 6.905,997 4.633,998 6.357,999 1.734,1000 7.659,1001 5.735,1002 4.29,1003 4.89,1004 1.653,1005 7.74,1006 4.124,1007 7.645,1008 1.483,1009 9.302,1010 4.422,1011 6.326,1012 7.266,1013 2.945,1014 10.833,1015 6.109,1016 8.964,1017 1.328,1018 11.001,1019 4.014,1020 6.673,1021 7.771,1022 2.763,1023 12.476,1024 6.4,1025 10.314,1026 1.178,1027 12.737,1028 3.671,1029 8.169,1030 9.646,1031 3.838,1032 15.078,1033 7.85,1034 11.685,1035 1.047,1036 14.498,1037 2.667,1038 8.895,1039 10.53,1040 4.001,1041 17.074,1042 8.523,1043 13.072,1044 1,1045 16.277,1046 2.589,1047 10.162,1048 12.176,1049 4.903,1050 19.493,1051 9.746,1052 3.095,1053 1,1054 18.07,1055 2.275,1056 11.078,1057 13.265,1058 5.247,1059 21.654,1060 10.611,1061 3.027,1062 10.37,1063 19.874,1064 2.136,1065 12.246,1066 14.791,1067 6.031,1068 24.004,1069 11.735,1070 2.712,1071 9.705,1072 21.688,1073 3.992,1074 13.257,1075 15.997,1076 6.477,1077 26.243,1078 12.699,1079 2.678,1080 8.645,1081 23.509,1082 3.92,1083 14.384,1084 17.456,1085 7.186,1086 28.568,1087 13.783,1088 2.432,1089 8.033,1090 25.337,1091 3.652,1092 15.443,1093 18.729,1094 7.691,1095 30.846,1096 14.796,1097 2.289,1098 7.22,1099 27.171,1100 2.979,1101 16.556,1102 20.15,1103 8.356,1104 33.163,1105 15.865,1106 2.158,1107 6.406,1108 29.009,1109 2.941,1110 17.64,1111 21.463,1112 8.896,1113 35.461,1114 16.904,1115 20031,1116 31457,1117 27.739,1118 46.063,1119 61.192,1120 63.477,1121 62.763,1122 60.844,1123 60.856,1124 74.202,1125 12.474,1126 173.429,1127 57.413,1128 5.39,1129 6.046,1130 6.398,1131 5.15,1132 5.095,1133 6.992,1134 3.225,1135 17.479,1136 4.955,1137 16.867,1138 1.492,1139 1.548,1140 1.531,1141 1.484,1142 1.484,1143 1.81,1144 0.304,1145 4.23,1146 1.4,1147 4.036,1148 4.081,1149 3.985,1150 3.926,1151 6.472,1152 3.933,1153 3.954,1154 3.99,1155 3.9,1156 3.868,1157 6.457,1158 3.872,1159 3.797,1160 3.853,1161 3.746,1162 3.627,1163 5.022,1164 3.652,1165 3.764,1166 3.829,1167 3.651,1168 3.546,1169 4.743,1170 3.561,1171 3.637,1172 3.686,1173 3.526,1174 3.455,1175 4.693,1176 3.463,1177 3.36,1178 3.426,1179 3.23,1180 3.178,1181 4.579,1182 3.176,1183 3.256,1184 3.345,1185 3.096,1186 3.031,1187 4.205,1188 3.035,1189 3.111,1190 3.206,1191 2.975,1192 2.941,1193 4.121,1194 2.91,1195 0.107,1196 0.099,1197 0.161,1198 0.099,1199 0.075,1200 4.39,1201 0.097,1202 4.046,1203 0.044,1204 6.596,1205 0.253,1206 4.046,1207 0.072,1208 3.095,1209 3.992,1210 1.812,1211 10.37,1212 2.955,1213 1.954,1214 1.923,1215 2.057,1216 2.094,1217 1.295,1218 2.084,1219 1.935,1220 1.902,1221 2.045,1222 2.051,1223 1.215,1224 2.051,1225 1.729,1226 1.676,1227 1.922,1228 1.954,1229 1.207,1230 1.947,1231 1.704,1232 1.638,1233 1.847,1234 1.919,1235 1.008,1236 1.902,1237 1.591,1238 1.537,1239 1.783,1240 1.785,1241 0.845,1242 1.787,1243 1.332,1244 1.272,1245 1.616,1246 1.571,1247 0.825,1248 1.582,1249 1.239,1250 1.143,1251 1.576,1252 1.505,1253 0.825,1254 1.535,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.735,1260 1.429,1261 4.419,1263 5.74,1265 7.259,1267 8.863,1269 10.509,1271 4.01,1276 19.397,1277 5.837,1278 3.422,1279 5.561,1282 8.007,1289 43.669,1290 111.921,1291 257.034,1292 343.299,1293 381.97,1294 388.725,1295 390.725,1296 58.522,1297 8.302,1298 100.46,1299 100.46,1300 30,1301 12.799,1302 4.248,1303 3.322,1304 56.552,1305 175,1306 178,1307 0.154,1308 265.999,1309 460.77,1310 640.797,1311 50773,1313 25.777,1314 0.697,1315 0.58,1316 25.777,1317 21.469,1318 17.996,1319 0.439,1320 0.31,1321 12.47,1322 17.091,1323 12.164,1324 10.021,1325 17.996,1326 12.707,1327 16.127,1328 0.283,1329 0.166,1330 16.127,1331 9.48,1332 13.774,1333 0.184,1334 0.093,1335 13.774,1336 6.958,1337 11.255,1338 0.116,1339 0.049,1340 11.255,1341 4.772,1342 9.585,1343 0.075,1344 0.026,1345 9.585,1346 3.367,1347 0.242,1348 113.997,1349 0.19,1350 33.591,1351 0.42,1352 196,1353 542.238,1354 217.464,1355 519.318,1356 717.02,1357 490,1358 230,1359 533.713,1360 252.633,1361 537.897,1362 783.95,1363 505,1364 7.347}
{0 CHEMBL1762541,1 1.519,2 13.351,3 3.91,4 15.291,5 147.828,6 6.914,7 0.439,8 4.387,9 4.516,10 3.896,11 3.85,12 5.396,13 3.835,14 4.962,15 5.159,16 4.227,17 4.242,18 5.915,19 4.206,20 5.177,21 5.391,22 4.285,23 4.438,24 6.075,25 4.355,26 5.281,27 5.53,28 4.25,29 4.493,30 6.122,31 4.37,32 5.319,33 5.577,34 4.293,35 4.504,36 6.171,37 4.39,38 5.304,39 5.548,40 4.316,41 4.483,42 6.19,43 4.381,44 5.347,45 5.611,46 4.283,47 4.426,48 6.247,49 4.331,50 5.272,51 5.529,52 4.226,53 4.385,54 6.137,55 4.287,56 0.04,57 1.098,58 16.902,59 6.356,60 10.362,61 9.074,62 0.481,63 1.742,64 32.657,65 10.129,66 36.138,67 14.808,68 0.498,69 2.119,70 40.239,71 13.122,72 40.819,73 19.746,74 0.372,75 2.265,76 44.735,77 15.856,78 43.443,79 23.794,80 0.491,81 2.312,82 47.148,83 15.775,84 49.894,85 24.025,86 0.389,87 2.313,88 46.087,89 14.96,90 48.225,91 22.971,92 0.743,93 2.294,94 49.898,95 13.815,96 71.585,97 22.001,98 0.694,99 2.164,100 45.894,101 13.015,102 53.266,103 20.68,104 11,105 56,106 0.236,107 0.547,108 0.746,109 0.813,110 0.849,111 0.849,112 3.642,113 0.944,114 -3.9,115 -3.85,116 -3.66,118 38.4,119 1,123 1,124 10,138 7,139 3,140 3,141 1,143 1,146 1,167 7,170 2,171 8,173 2,175 3,178 8,181 2,182 6,186 3,188 5,191 1,192 8,195 2,197 3,199 3,203 1,204 9,206 2,208 1,211 3,214 2,215 10,220 3,223 3,227 2,228 5,231 2,233 4,235 1,239 3,240 4,243 1,245 1,247 5,251 3,252 1,255 1,256 1,260 8,264 2747,265 25.471,266 25.471,267 25.471,268 25.471,269 25.471,270 23.349,271 45.933,272 15.273,273 26.316,274 20.244,275 20.244,276 20.244,277 20.244,278 20.244,279 16.904,280 78.594,281 7.279,282 21.582,283 4.671,284 2.676,285 1.396,286 0.963,287 0.733,288 0.733,289 4.35,294 1,295 1078,296 3.317,300 632.277,307 1.909,308 27.014,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 80,320 494,321 4.389,322 3.318,323 6.596,324 4.045,325 3.094,326 3.991,327 0.916,328 10.37,329 2.955,330 4.281,331 3.201,332 6.215,333 3.932,334 2.972,335 3.894,336 0.86,337 9.4,338 2.86,339 4.048,340 2.98,341 5.782,342 3.619,343 2.678,344 3.648,345 0.86,346 8.066,347 2.518,348 3.714,349 2.852,350 5.626,351 3.533,352 2.601,353 2.944,354 0.8,355 7.715,356 2.423,357 3.638,358 2.706,359 5.436,360 3.374,361 2.431,362 2.873,363 0.8,364 7.172,365 2.282,366 3.503,367 2.53,368 5.206,369 3.207,370 2.251,371 2.744,372 0.765,373 6.47,374 2.154,375 3.355,376 2.387,377 5.104,378 3.053,379 2.09,380 2.534,381 0.4,382 6.104,383 1.996,384 3.168,385 2.274,386 4.793,387 2.816,388 1.86,389 2.309,390 0.172,391 5.335,392 1.773,393 2.898,394 2.111,395 4.404,396 2.644,397 1.725,398 2.019,400 4.272,401 1.581,402 2.858,403 1.938,404 4.351,405 2.443,406 1.476,407 1.929,409 4.014,410 1.425,411 2.655,412 1.605,413 3.622,414 2.258,415 1.396,416 1.727,417 3.024,418 1.194,419 2.431,420 1.401,421 3.587,422 2.129,423 1.182,424 1.43,425 2.671,426 1.116,427 2.201,428 1.256,429 3.49,430 1.962,431 1.067,432 1.178,433 2.602,434 0.946,435 2.041,436 1.256,437 3.436,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.208,445 3.247,446 1.952,447 1,448 1,449 2.136,450 0.946,451 17.4,452 0.47,453 0.759,454 0.021,455 45,456 1.216,457 19.5,458 0.527,459 25.5,460 0.689,461 36.245,462 0.98,463 41.4,464 0.567,465 37.334,466 1.009,467 9.081,468 0.245,469 9.004,470 0.243,471 0.077,473 0.299,478 0.965,479 1.605,480 0.858,481 1.269,482 0.944,483 1.079,484 1.403,485 0.996,486 1.008,487 0.857,488 1.003,489 0.869,490 1.054,491 1.163,492 1.097,493 1.052,494 0.768,495 1.071,496 0.601,497 1.125,498 0.955,499 1.122,500 0.715,501 1.093,502 0.699,503 1.016,504 0.905,505 0.977,506 0.722,507 0.966,508 0.805,509 1.218,510 0.976,511 1.125,512 0.76,513 1.075,514 1.136,515 1.002,516 1.02,517 0.889,518 1.255,519 0.917,520 1.049,521 1.009,522 1.052,523 0.927,524 0.962,525 0.964,526 7,527 0.247,528 2.889,529 2.5,530 1.711,531 1.201,532 0.788,533 0.481,534 0.276,535 0.274,536 21735,537 50860,538 2.133,539 49.3,540 3,541 30,543 1,544 2,549 1.785,550 2.037,551 3.7,552 0.162,558 110.869,559 1.519,560 3.513,561 4.794,562 5.227,563 5.457,564 5.457,565 3.068,566 4.939,567 5.182,568 3.87,569 2577.09,570 9.14,571 42483.1,576 451.857,577 1.241,578 5.159,579 0.171,580 0.006,581 0.052,582 0.043,583 0.031,584 0.021,585 0.014,586 0.009,587 0.005,588 0.006,589 0.356,590 0.33,591 0.75,592 0.575,593 203.769,594 -0.036,595 -0.33,596 0.075,597 -0.131,598 -0.069,599 -0.031,600 -0.137,601 0.153,602 -0.001,603 0.141,604 -0.044,605 0.093,606 -0.1,607 -0.045,608 -0.128,609 -0.031,610 -0.039,611 -0.078,612 0.036,613 -0.082,614 -0.018,615 -0.089,616 0.024,617 -0.068,618 0.031,619 0.012,620 0.051,621 0.027,622 0.013,623 0.039,624 -0.009,625 -0.159,626 -0.015,627 -0.125,628 0.022,629 -0.079,630 -0.056,631 0.024,632 -0.009,633 0.033,634 -0.06,635 0.023,636 -0.033,637 0.041,638 -0.051,639 0.008,640 -0.068,641 -0.016,642 1.496,643 3.582,644 0.811,645 42.52,646 0.998,647 1.135,648 2.666,649 7.109,650 0.641,651 3.738,652 4.043,653 4.304,654 4.564,655 4.812,656 4.844,657 4.99,658 5.136,659 5.263,660 5.38,661 7.993,662 0.605,663 504.7,664 3.738,665 5.273,666 6.116,667 6.984,668 7.841,669 8.715,670 9.578,671 10.454,672 11.321,673 12.199,674 8.2,677 1,680 1,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 2,716 73,718 18,719 2,720 41,722 77,723 28,724 16,725 6,726 6,728 5,729 5,732 2,740 16,741 12,760 36,761 9,762 2,763 9,769 6,775 1,776 3,777 1,788 1,794 5,816 1,817 1,818 2,819 5,823 2,827 37,832 1,833 10,834 1,835 2,838 3,850 4.1,851 1,854 2,858 18.167,859 13.45,860 8.194,861 4.326,863 3.391,864 1.41,865 0.967,866 8.538,867 11.659,868 3.932,869 4.472,870 4.992,871 5.535,872 6.066,873 6.252,874 6.587,875 6.969,876 7.321,877 7.677,878 0.889,879 58,880 13.691,881 5.695,882 7.55,883 26.819,884 21.943,885 2.05,886 75.833,890 400.217,891 143.555,892 60.955,894 64.683,897 143.555,898 464.901,899 60.955,900 17.222,901 28.898,902 109.017,903 67.342,904 54.258,905 4.227,906 388.446,908 400.217,909 204.51,910 64.683,913 400.217,915 64.683,917 72.929,918 98.009,919 33.571,921 400.217,922 125.638,923 143.555,926 400.217,927 50.952,928 101.976,929 18.011,930 98.254,931 400.217,932 125.638,933 143.555,935 0.573,936 0.335,937 0.183,938 0.104,939 26,940 11,941 0.104,942 8,944 1,945 4.74,946 360.853,948 30,949 184.75,954 25.89,955 12.202,956 6.584,958 125.638,959 16.26,960 9.314,964 7.68,966 60.694,967 669.41,968 50,980 72.847,981 82.846,983 0.245,984 0.568,985 0.774,986 0.844,987 0.882,988 0.882,989 5.173,990 1.86,991 6.08,992 6.104,993 4.727,994 5.159,995 2.183,996 6.855,997 4.612,998 6.336,999 1.725,1000 7.611,1001 5.335,1002 4.205,1003 4.844,1004 0.766,1005 7.642,1006 4.053,1007 7.617,1008 1.476,1009 9.24,1010 4.272,1011 6.286,1012 7.248,1013 1.758,1014 10.745,1015 6.072,1016 8.929,1017 1.396,1018 10.926,1019 4.014,1020 6.581,1021 7.731,1022 0.74,1023 12.353,1024 6.33,1025 10.274,1026 1.182,1027 12.649,1028 3.024,1029 8.105,1030 9.622,1031 1.452,1032 14.958,1033 7.8,1034 11.64,1035 1.067,1036 14.399,1037 2.671,1038 8.796,1039 10.493,1040 0.632,1041 16.933,1042 8.453,1043 13.023,1044 1,1045 16.169,1046 2.602,1047 10.077,1048 12.148,1049 1.2,1050 19.353,1051 9.685,1052 3.094,1053 1,1054 17.953,1055 2.136,1056 10.972,1057 13.229,1058 0.524,1059 21.505,1060 10.54,1061 2.972,1062 10.37,1063 19.75,1064 2.136,1065 12.145,1066 14.759,1067 0.986,1068 23.855,1069 11.668,1070 2.678,1071 9.4,1072 21.557,1073 3.991,1074 13.143,1075 15.959,1076 0.43,1077 26.092,1078 12.626,1079 2.601,1080 8.066,1081 23.373,1082 3.894,1083 14.27,1084 17.42,1085 0.804,1086 28.419,1087 13.711,1088 2.431,1089 7.715,1090 25.197,1091 3.648,1092 15.32,1093 18.689,1094 0.353,1095 30.697,1096 14.721,1097 2.251,1098 7.172,1099 27.026,1100 2.944,1101 16.431,1102 20.11,1103 0.652,1104 33.018,1105 15.79,1106 2.09,1107 6.47,1108 28.862,1109 2.873,1110 17.509,1111 21.419,1112 0.29,1113 35.318,1114 16.826,1115 20343,1116 31254,1117 28.027,1118 46.819,1119 60.456,1120 61.17,1121 61.819,1122 60.222,1123 60.218,1124 73.533,1125 11.147,1126 168.415,1127 56.607,1128 5.389,1129 5.318,1130 6.398,1131 5.149,1132 5.094,1133 6.991,1134 1.776,1135 17.478,1136 4.955,1137 14.485,1138 1.475,1139 1.492,1140 1.508,1141 1.469,1142 1.469,1143 1.793,1144 0.272,1145 4.108,1146 1.381,1147 4.034,1148 4.077,1149 3.981,1150 3.929,1151 6.457,1152 3.935,1153 3.952,1154 3.987,1155 3.896,1156 3.874,1157 5.022,1158 3.875,1159 3.796,1160 3.85,1161 3.744,1162 3.627,1163 4.742,1164 3.652,1165 3.768,1166 3.827,1167 3.65,1168 3.547,1169 4.695,1170 3.563,1171 3.661,1172 3.706,1173 3.546,1174 3.472,1175 4.617,1176 3.482,1177 3.362,1178 3.428,1179 3.232,1180 3.178,1181 4.568,1182 3.177,1183 3.262,1184 3.348,1185 3.107,1186 3.045,1187 4.129,1188 3.05,1189 3.173,1190 3.242,1191 3.026,1192 2.983,1193 4.011,1194 2.98,1195 0.107,1196 0.081,1197 0.161,1198 0.099,1199 0.075,1200 4.389,1201 0.097,1202 3.318,1203 0.022,1204 6.596,1205 0.253,1206 4.045,1207 0.072,1208 3.094,1209 3.991,1210 0.916,1211 10.37,1212 2.955,1213 1.956,1214 1.925,1215 2.06,1216 2.088,1217 1.291,1218 2.08,1219 1.939,1220 1.91,1221 2.049,1222 2.048,1223 1.21,1224 2.049,1225 1.727,1226 1.676,1227 1.925,1228 1.956,1229 1.207,1230 1.949,1231 1.704,1232 1.645,1233 1.855,1234 1.919,1235 1.058,1236 1.903,1237 1.611,1238 1.559,1239 1.803,1240 1.809,1241 0.849,1242 1.812,1243 1.333,1244 1.273,1245 1.616,1246 1.572,1247 0.825,1248 1.583,1249 1.243,1250 1.15,1251 1.578,1252 1.507,1253 0.825,1254 1.537,1255 1.153,1256 1.08,1257 1.513,1258 1.383,1259 0.735,1260 1.429,1261 4.419,1263 5.727,1265 7.233,1267 8.825,1269 10.46,1271 4.037,1276 9.582,1277 7.566,1278 3.455,1279 11.108,1282 6.829,1289 44.175,1290 110.869,1291 256.485,1292 349.941,1293 381.593,1294 398.347,1295 398.347,1296 54.087,1297 8.268,1298 86.22,1299 86.22,1300 30,1301 12.738,1302 4.248,1303 3.322,1304 56.542,1305 177,1306 178,1307 0.151,1308 268.797,1309 467.07,1310 647.625,1311 49703,1313 25.614,1314 0.692,1315 0.586,1316 25.614,1317 21.69,1318 18.085,1319 0.441,1320 0.315,1321 12.66,1322 17.214,1323 12.33,1324 10.159,1325 18.085,1326 12.898,1327 15.953,1328 0.285,1329 0.171,1330 15.953,1331 9.577,1332 13.5,1333 0.185,1334 0.095,1335 13.5,1336 6.922,1337 11.283,1338 0.119,1339 0.051,1340 11.283,1341 4.822,1342 9.368,1343 0.077,1344 0.027,1345 9.368,1346 3.344,1347 0.239,1348 114.296,1349 0.189,1350 33.695,1351 0.411,1352 194,1353 532.179,1354 214.157,1355 505.06,1356 697.18,1357 480,1358 226,1359 506.422,1360 247.187,1361 514.26,1362 753.24,1363 482,1364 7.602}
{0 CHEMBL1762542,1 1.571,2 13.368,3 3.251,4 10.568,5 147.66,6 7.204,7 0.429,8 4.38,9 4.503,10 3.92,11 3.844,12 5.438,13 3.839,14 4.947,15 5.135,16 4.263,17 4.233,18 5.963,19 4.21,20 5.164,21 5.369,22 4.347,23 4.423,24 6.157,25 4.364,26 5.253,27 5.474,28 4.322,29 4.471,30 6.254,31 4.383,32 5.296,33 5.532,34 4.37,35 4.49,36 6.31,37 4.4,38 5.29,39 5.523,40 4.364,41 4.47,42 6.26,43 4.389,44 5.325,45 5.568,46 4.355,47 4.409,48 6.369,49 4.343,50 5.251,51 5.49,52 4.286,53 4.37,54 6.253,55 4.297,56 0.055,57 1.085,58 15.797,59 6.212,60 11.369,61 8.556,62 0.55,63 1.717,64 31.24,65 9.945,66 38.581,67 14.042,68 0.55,69 2.084,70 38.899,71 12.679,72 44.56,73 18.509,74 0.503,75 2.201,76 42.953,77 14.912,78 62.01,79 21.497,80 0.73,81 2.261,82 45.666,83 15.314,84 75.703,85 22.651,86 0.476,87 2.282,88 44.911,89 14.524,90 55.342,91 21.73,92 0.931,93 2.244,94 48.592,95 13.356,96 99.291,97 20.446,98 0.87,99 2.129,100 44.552,101 12.47,102 77.569,103 19.189,104 18,105 58,106 0.245,107 0.566,108 0.741,109 0.793,110 0.827,111 0.849,112 3.668,113 0.922,114 -3.5,115 -3.47,116 -3.32,118 38.9,119 1,123 1,124 9,138 7,139 3,140 3,141 1,143 1,146 1,153 1,167 7,170 3,171 9,173 2,175 3,178 8,181 2,182 8,186 3,188 5,191 1,192 8,195 2,197 3,199 3,203 3,204 10,206 3,208 1,211 3,214 2,215 10,220 3,223 3,227 4,228 5,231 2,233 4,235 1,239 4,240 4,243 1,245 1,247 5,251 4,252 2,255 1,256 1,260 8,264 2936,265 26.024,266 26.024,267 26.024,268 26.024,269 26.024,270 23.834,271 43.843,272 15.463,273 26.85,274 20.689,275 20.689,276 20.689,277 20.689,278 20.689,279 17.161,280 69.729,281 7.319,282 21.975,283 4.598,284 2.534,285 1.405,286 1.077,287 0.854,288 0.715,289 4.373,294 1,295 1105,296 3.606,300 652.393,307 1.875,308 36.374,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 83,320 508,321 4.394,322 3.7,323 6.596,324 4.052,325 3.096,326 3.999,327 1.2,328 10.37,329 2.997,330 4.366,331 3.318,332 6.443,333 4.033,334 3.06,335 3.967,336 0.86,337 9.957,338 2.953,339 4.064,340 3.143,341 6.14,342 3.738,343 2.792,344 3.658,345 0.86,346 9.012,347 2.638,348 3.963,349 2.855,350 5.78,351 3.619,352 2.678,353 3.232,354 0.8,355 8.045,356 2.517,357 3.672,358 2.704,359 5.519,360 3.387,361 2.439,362 2.943,363 0.8,364 7.317,365 2.302,366 3.528,367 2.576,368 5.254,369 3.207,370 2.251,371 2.801,372 0.765,373 6.548,374 2.157,375 3.36,376 2.467,377 5.168,378 3.063,379 2.102,380 2.579,381 0.4,382 6.186,383 2.002,384 3.182,385 2.325,386 4.904,387 2.87,388 1.92,389 2.311,390 0.293,391 5.501,392 1.814,393 2.914,394 2.141,395 4.419,396 2.654,397 1.731,398 2.023,400 4.314,401 1.593,402 2.859,403 1.943,404 4.36,405 2.448,406 1.487,407 1.938,409 4.014,410 1.427,411 2.658,412 1.769,413 3.863,414 2.33,415 1.427,416 1.728,417 3.238,418 1.275,419 2.626,420 1.575,421 3.621,422 2.129,423 1.182,424 1.608,425 2.673,426 1.116,427 2.204,428 1.362,429 3.493,430 1.967,431 1.073,432 1.181,433 2.606,434 0.95,435 2.093,436 1.256,437 3.436,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2.041,444 1.256,445 3.326,446 1.952,447 1,448 1,449 2.136,450 0.946,451 17.733,452 0.467,453 0.832,454 0.022,455 47.25,456 1.243,457 21,458 0.553,459 26.25,460 0.691,461 36.507,462 0.961,463 42.267,464 0.587,465 41.33,466 1.088,467 9.566,468 0.252,469 8.946,470 0.235,471 0.094,473 0.321,478 0.893,479 1.59,480 0.814,481 1.253,482 0.755,483 1.052,484 1.225,485 0.994,486 0.955,487 0.854,488 0.802,489 0.854,490 1.032,491 1.14,492 1.03,493 1.015,494 0.775,495 1.012,496 0.884,497 1.138,498 1.022,499 1.127,500 1.286,501 1.104,502 0.682,503 1.037,504 0.895,505 1.001,506 0.95,507 0.985,508 0.854,509 1.212,510 0.968,511 1.115,512 0.858,513 1.061,514 1.168,515 1.013,516 1.028,517 0.895,518 1.316,519 0.921,520 1.058,521 1.02,522 1.073,523 0.935,524 1.104,525 0.977,526 7,527 0.264,528 3.778,529 2.75,530 1.871,531 1.437,532 0.951,533 0.535,534 0.317,535 0.309,536 22764,537 57568,538 2.113,539 47.2,540 3,541 28,543 1,544 2,549 1.792,550 2,551 3.697,552 0.175,558 113.145,559 1.571,560 3.636,561 4.765,562 5.093,563 5.316,564 5.455,565 3.06,566 4.827,567 5.221,568 3.865,569 2717.32,570 9.221,571 45245.5,576 444.235,577 1.324,578 5.189,579 0.167,580 0.006,581 0.065,582 0.044,583 0.032,584 0.023,585 0.016,586 0.009,587 0.006,588 0.006,589 0.373,590 0.33,591 0.63,592 0.618,593 210.335,594 -0.053,595 -0.329,596 0.067,597 -0.131,598 -0.065,599 -0.031,600 -0.091,601 0.149,602 0.018,603 0.142,604 -0.023,605 0.1,606 -0.098,607 -0.029,608 -0.078,609 -0.004,610 -0.011,611 -0.032,612 -0.05,613 -0.084,614 -0.077,615 -0.101,616 -0.102,617 -0.098,618 0.127,619 -0.005,620 0.06,621 0.007,622 0.05,623 0.018,624 -0.035,625 -0.155,626 -0.014,627 -0.12,628 -0.029,629 -0.071,630 -0.042,631 0.016,632 -0.014,633 0.028,634 -0.04,635 0.014,636 -0.017,637 0.041,638 -0.076,639 -0.003,640 -0.048,641 -0.037,642 1.68,643 6.368,644 0.789,645 42.776,646 1.004,647 1.134,648 2.268,649 5.142,650 0.646,651 3.761,652 4.078,653 4.357,654 4.605,655 4.86,656 4.898,657 5.056,658 5.176,659 5.308,660 5.425,661 7.985,662 0.616,663 518.68,664 3.761,665 5.303,666 6.155,667 7.027,668 7.894,669 8.772,670 9.644,671 10.525,672 11.4,673 12.282,674 8.3,680 1,681 1,682 2,684 2,690 8,691 2,695 8,697 18,705 1,709 1,711 2,716 72,718 19,719 2,720 42,722 76,723 28,724 16,725 6,726 6,727 1,728 5,729 5,732 2,740 17,741 11,744 1,749 1,753 1,760 34,761 10,762 2,763 10,769 6,775 1,776 4,777 1,788 1,794 5,817 1,818 2,819 5,823 2,827 38,832 1,833 9,834 1,835 2,838 3,850 5.6,851 1,853 1,854 2,858 19,859 13.367,860 8.417,861 4.256,863 3.421,864 1.412,865 0.965,866 8.518,867 11.725,868 3.97,869 4.516,870 5.058,871 5.585,872 6.126,873 6.322,874 6.688,875 7.024,876 7.385,877 7.741,878 0.889,879 62,880 14.099,881 5.95,882 7.684,883 27.155,884 22.174,885 2.184,886 83,890 376.675,891 146.154,892 60.955,894 89.828,897 146.154,898 466.503,899 60.955,900 17.222,901 29.917,902 109.017,903 97.192,904 51.134,905 4.227,906 364.904,908 376.675,909 207.108,910 89.828,913 376.675,914 25.145,915 64.683,917 70.823,918 102.714,919 33.571,921 376.675,922 150.783,923 146.154,926 376.675,927 53.551,928 101.976,929 18.011,930 123.399,931 376.675,932 150.783,933 146.154,935 0.577,936 0.343,937 0.185,938 0.105,939 27,940 12,941 0.092,942 7,944 1,945 4.743,946 378.401,948 30,949 191.421,954 26.539,955 12.197,956 6.337,958 150.783,959 15.243,960 9.182,964 6.3,966 60.694,967 673.612,968 52,973 13.368,977 -0.014,980 72.29,981 81.64,983 0.255,984 0.589,985 0.772,986 0.826,987 0.862,988 0.884,989 5.218,990 1.92,991 6.129,992 6.186,993 4.762,994 5.204,995 2.327,996 6.927,997 4.656,998 6.391,999 1.731,1000 7.679,1001 5.501,1002 4.29,1003 4.934,1004 0.766,1005 7.776,1006 4.159,1007 7.682,1008 1.487,1009 9.329,1010 4.314,1011 6.344,1012 7.308,1013 2.126,1014 10.885,1015 6.15,1016 9.005,1017 1.427,1018 11.037,1019 4.014,1020 6.698,1021 7.841,1022 0.931,1023 12.548,1024 6.484,1025 10.362,1026 1.182,1027 12.784,1028 3.238,1029 8.199,1030 9.701,1031 2.112,1032 15.163,1033 7.929,1034 11.74,1035 1.073,1036 14.555,1037 2.673,1038 8.94,1039 10.61,1040 1.142,1041 17.172,1042 8.648,1043 13.135,1044 1,1045 16.346,1046 2.606,1047 10.21,1048 12.242,1049 2.209,1050 19.603,1051 9.871,1052 3.096,1053 1,1054 18.15,1055 2.136,1056 11.14,1057 13.35,1058 1.436,1059 21.772,1060 10.776,1061 3.06,1062 10.37,1063 19.965,1064 2.136,1065 12.311,1066 14.866,1067 2.385,1068 24.131,1069 11.907,1070 2.792,1071 9.957,1072 21.788,1073 3.999,1074 13.333,1075 16.086,1076 1.783,1077 26.374,1078 12.901,1079 2.678,1080 9.012,1081 23.619,1082 3.967,1083 14.464,1084 17.54,1085 2.617,1086 28.706,1087 13.997,1088 2.439,1089 8.045,1090 25.455,1091 3.658,1092 15.532,1093 18.823,1094 2.156,1095 30.986,1096 15.035,1097 2.251,1098 7.317,1099 27.297,1100 3.232,1101 16.648,1102 20.242,1103 2.886,1104 33.308,1105 16.118,1106 2.102,1107 6.548,1108 29.142,1109 2.943,1110 17.738,1111 21.564,1112 2.541,1113 35.607,1114 17.178,1115 21389,1116 34164,1117 28.433,1118 46.512,1119 62.795,1120 64.438,1121 64.28,1122 62.434,1123 62.421,1124 76.817,1125 11.955,1126 176.976,1127 58.989,1128 5.394,1129 5.7,1130 6.398,1131 5.155,1132 5.096,1133 6.999,1134 2.293,1135 17.479,1136 4.997,1137 16.835,1138 1.495,1139 1.534,1140 1.53,1141 1.487,1142 1.486,1143 1.829,1144 0.285,1145 4.214,1146 1.405,1147 4.035,1148 4.075,1149 3.988,1150 3.929,1151 7.428,1152 3.936,1153 3.954,1154 3.986,1155 3.903,1156 3.874,1157 6.457,1158 3.877,1159 3.797,1160 3.849,1161 3.748,1162 3.627,1163 5.02,1164 3.652,1165 3.77,1166 3.825,1167 3.666,1168 3.545,1169 4.721,1170 3.566,1171 3.662,1172 3.706,1173 3.547,1174 3.472,1175 4.694,1176 3.482,1177 3.362,1178 3.427,1179 3.237,1180 3.178,1181 4.609,1182 3.177,1183 3.266,1184 3.348,1185 3.156,1186 3.044,1187 4.563,1188 3.058,1189 3.2,1190 3.231,1191 3.074,1192 2.98,1193 4.126,1194 2.996,1195 0.105,1196 0.088,1197 0.157,1198 0.096,1199 0.074,1200 4.394,1201 0.095,1202 3.7,1203 0.029,1204 6.596,1205 0.247,1206 4.052,1207 0.071,1208 3.096,1209 3.999,1210 1.2,1211 10.37,1212 2.997,1213 1.954,1214 1.925,1215 2.055,1216 2.086,1217 1.251,1218 2.074,1219 1.935,1220 1.908,1221 2.034,1222 2.047,1223 1.207,1224 2.046,1225 1.726,1226 1.676,1227 1.913,1228 1.953,1229 1.192,1230 1.942,1231 1.699,1232 1.643,1233 1.854,1234 1.919,1235 1.035,1236 1.903,1237 1.611,1238 1.559,1239 1.8,1240 1.808,1241 0.846,1242 1.81,1243 1.333,1244 1.273,1245 1.616,1246 1.572,1247 0.825,1248 1.583,1249 1.241,1250 1.149,1251 1.577,1252 1.507,1253 0.825,1254 1.536,1255 1.153,1256 1.07,1257 1.513,1258 1.376,1259 0.735,1260 1.429,1261 4.443,1263 5.759,1265 7.277,1267 8.88,1269 10.526,1271 3.964,1276 9.577,1277 5.064,1278 3.323,1279 10.959,1282 6.034,1289 44.363,1290 113.145,1291 261.789,1292 343.073,1293 366.725,1294 382.725,1295 392.725,1296 66.736,1297 8.305,1298 103.29,1299 103.29,1300 30,1301 12.818,1302 4.322,1303 3.459,1304 58.848,1305 181,1306 188,1307 0.154,1308 269.866,1309 473.22,1310 650.233,1311 51358,1313 26.485,1314 0.697,1315 0.576,1316 26.485,1317 21.891,1318 18.512,1319 0.441,1320 0.307,1321 12.657,1322 17.582,1323 12.35,1324 10.161,1325 18.512,1326 12.906,1327 16.365,1328 0.282,1329 0.163,1330 16.365,1331 9.474,1332 14.184,1333 0.184,1334 0.09,1335 14.184,1336 6.897,1337 11.587,1338 0.117,1339 0.048,1340 11.587,1341 4.723,1342 9.682,1343 0.076,1344 0.025,1345 9.682,1346 3.235,1347 0.242,1348 117.401,1349 0.188,1350 34.306,1351 0.42,1352 200,1353 591.915,1354 222.705,1355 558.38,1356 764.22,1357 528,1358 235,1359 552.762,1360 258.679,1361 558.213,1362 820.28,1363 524,1364 6.338}
{0 CHEMBL1762543,1 1.535,2 13.351,3 3.974,4 15.792,5 145.15,6 7.023,7 0.439,8 4.377,9 4.498,10 3.898,11 3.843,12 5.402,13 3.833,14 4.951,15 5.133,16 4.237,17 4.229,18 5.932,19 4.199,20 5.182,21 5.391,22 4.292,23 4.398,24 6.102,25 4.332,26 5.232,27 5.461,28 4.262,29 4.441,30 6.147,31 4.337,32 5.263,33 5.508,34 4.291,35 4.466,36 6.142,37 4.365,38 5.282,39 5.515,40 4.326,41 4.446,42 6.22,43 4.36,44 5.3,45 5.546,46 4.282,47 4.395,48 6.236,49 4.312,50 5.241,51 5.49,52 4.225,53 4.375,54 6.123,55 4.281,56 0.035,57 1.056,58 16.389,59 6.499,60 11.248,61 8.892,62 0.449,63 1.675,64 31.882,65 10.583,66 38.021,67 14.673,68 0.547,69 2.028,70 40.833,71 13.094,72 46.872,73 18.946,74 0.639,75 2.124,76 42.847,77 14.96,78 53.773,79 21.768,80 0.396,81 2.194,82 44.141,83 15.136,84 46.419,85 22.643,86 0.563,87 2.219,88 45.39,89 14.493,90 57.665,91 21.625,92 0.799,93 2.173,94 47.503,95 13.614,96 75.781,97 20.868,98 0.656,99 2.121,100 44.111,101 13.052,102 53.898,103 20.217,104 11,105 56,106 0.239,107 0.567,108 0.778,109 0.842,110 0.851,111 0.851,112 3.642,113 0.94,114 -3.9,115 -3.85,116 -3.66,118 38.9,119 1,120 2,123 1,124 7,126 1,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 2,171 13,173 2,175 3,178 9,181 1,182 3,186 2,188 4,191 3,192 9,195 3,197 3,199 7,204 5,206 1,208 1,211 3,214 4,215 11,220 5,223 5,227 1,228 4,231 2,233 4,239 3,240 9,243 1,245 1,247 5,251 2,252 2,255 1,256 1,260 6,264 2747,265 25.471,266 25.471,267 25.471,268 25.471,269 25.471,270 23.349,271 45.714,272 15.273,273 26.324,274 20.244,275 20.244,276 20.244,277 20.244,278 20.244,279 16.904,280 77.354,281 7.279,282 21.614,283 4.635,284 2.535,285 1.183,286 0.771,287 0.715,288 0.715,289 4.35,294 1,295 1078,296 3.317,300 632.277,307 1.909,308 30.471,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 80.5,320 494,321 4.389,322 3.318,323 6.596,324 4.045,325 3.094,326 3.991,327 0.86,328 10.37,329 2.955,330 4.281,331 3.223,332 6.215,333 3.922,334 2.972,335 3.894,336 0.86,337 9.4,338 2.825,339 4.048,340 2.997,341 5.782,342 3.619,343 2.678,344 3.648,345 0.86,346 8.066,347 2.518,348 3.714,349 2.849,350 5.626,351 3.525,352 2.601,353 2.944,354 0.8,355 7.715,356 2.397,357 3.638,358 2.697,359 5.436,360 3.38,361 2.431,362 2.873,363 0.8,364 7.172,365 2.297,366 3.503,367 2.519,368 5.206,369 3.21,370 2.251,371 2.744,372 0.765,373 6.47,374 2.162,375 3.355,376 2.394,377 5.104,378 3.049,379 2.09,380 2.534,381 0.4,382 6.104,383 1.987,384 3.168,385 2.286,386 4.793,387 2.801,388 1.86,389 2.309,391 5.335,392 1.745,393 2.898,394 2.114,395 4.404,396 2.642,397 1.725,398 2.019,400 4.272,401 1.575,402 2.858,403 1.913,404 4.351,405 2.442,406 1.476,407 1.929,409 4.014,410 1.424,411 2.655,412 1.604,413 3.622,414 2.259,415 1.396,416 1.727,417 3.024,418 1.191,419 2.431,420 1.401,421 3.587,422 2.129,423 1.182,424 1.43,425 2.671,426 1.116,427 2.201,428 1.256,429 3.49,430 1.969,431 1.067,432 1.178,433 2.602,434 0.963,435 2.041,436 1.208,437 3.436,438 1.961,439 1,440 1,441 2.136,442 0.946,443 2,444 1.2,445 3.247,446 1.952,447 1,448 1,449 2.136,450 0.945,451 17.333,452 0.468,453 0.759,454 0.021,455 45.25,456 1.223,457 20,458 0.541,459 25.25,460 0.682,461 36.315,462 0.981,463 41.467,464 0.576,465 37.263,466 1.007,467 8.913,468 0.241,469 9.172,470 0.248,471 0.077,473 0.306,478 0.945,479 1.533,480 0.84,481 1.259,482 0.945,483 1.064,484 1.33,485 1.042,486 0.984,487 0.946,488 0.999,489 0.915,490 1.269,491 1.117,492 1.081,493 0.992,494 0.902,495 1.001,496 0.723,497 1.066,498 0.995,499 1.076,500 0.81,501 1.081,502 0.687,503 1.117,504 0.887,505 1.03,506 0.724,507 0.989,508 0.92,509 1.144,510 1.004,511 1.075,512 0.828,513 1.049,514 1.131,515 1.062,516 1.024,517 0.915,518 1.25,519 0.936,520 0.915,521 1.026,522 1.04,523 0.962,524 0.922,525 0.992,526 7,527 0.247,528 2.889,529 2.5,530 1.711,531 1.201,532 0.788,533 0.481,534 0.276,535 0.274,536 21735,537 52168,538 2.133,539 48.6,540 3,541 25,543 1,544 2,547 4,549 1.785,550 2.037,551 3.7,552 0.162,558 110.494,559 1.535,560 3.635,561 4.987,562 5.399,563 5.455,564 5.455,565 3.068,566 4.939,567 5.182,568 3.87,569 2577.09,570 9.14,571 42483.1,576 444.235,577 1.241,578 5.159,579 0.171,580 0.006,581 0.052,582 0.043,583 0.031,584 0.021,585 0.014,586 0.009,587 0.005,588 0.006,589 0.356,590 0.33,591 0.75,592 0.575,593 203.769,594 -0.043,595 -0.278,596 0.072,597 -0.119,598 -0.078,599 -0.022,600 -0.108,601 0.087,602 0.008,603 0.071,604 -0.024,605 0.055,606 -0.165,607 -0.04,608 -0.095,609 0.01,610 -0.079,611 -0.026,612 0.1,613 -0.013,614 -0.042,615 -0.056,616 0.024,617 -0.075,618 0.014,619 -0.076,620 0.058,621 -0.015,622 0.006,623 0.023,625 -0.082,626 -0.03,627 -0.092,628 0.017,629 -0.071,630 -0.038,631 -0.035,632 -0.015,633 0.023,634 -0.051,635 0.011,636 -0.019,637 0.046,638 -0.058,639 -0.018,640 -0.063,641 -0.036,642 1.504,643 3.575,644 0.811,645 42.52,646 1.001,647 1.133,648 2.666,649 7.109,650 0.643,651 3.738,652 4.043,653 4.304,654 4.564,655 4.812,656 4.844,657 4.99,658 5.136,659 5.263,660 5.38,661 7.993,662 0.609,663 505.68,664 3.738,665 5.273,666 6.116,667 6.984,668 7.841,669 8.715,670 9.578,671 10.454,672 11.321,673 12.199,674 6.9,680 1,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 2,714 1,716 72,718 18,719 2,720 41,722 76,723 28,724 16,725 6,726 6,728 5,729 5,732 2,735 3,738 3,740 16,741 12,760 35,761 9,762 2,763 9,769 5,775 1,776 4,777 1,788 1,794 5,817 1,818 2,819 5,823 2,827 37,832 1,833 9,834 1,835 3,837 1,838 2,850 5.6,851 1,854 2,855 1,858 18.167,859 13.25,860 8.194,861 4.332,863 3.391,864 1.41,865 0.962,866 8.538,867 11.659,868 3.932,869 4.472,870 4.992,871 5.535,872 6.066,873 6.252,874 6.587,875 6.969,876 7.321,877 7.677,878 0.889,879 58,880 13.702,881 5.733,882 7.586,883 26.696,884 21.87,885 2.086,886 77.167,890 388.446,891 144.365,892 57.83,894 75.683,897 144.365,898 464.129,899 57.83,900 17.222,901 27.65,902 109.017,903 67.342,904 64.192,905 4.227,906 376.675,908 388.446,909 202.195,910 75.683,913 341.362,914 58.084,915 64.683,917 68.557,918 100.067,919 33.571,921 388.446,922 133.513,923 144.365,926 388.446,927 51.762,928 98.851,929 18.011,930 109.254,931 388.446,932 133.513,933 144.365,935 0.573,936 0.335,937 0.183,938 0.104,939 26,940 11,941 0.105,942 8,944 1,945 4.74,946 360.853,948 30,949 184.75,954 25.89,955 12.202,956 6.584,958 133.513,959 15.767,960 9.253,964 6.957,966 60.694,967 666.324,968 50,980 72.072,981 81.557,983 0.249,984 0.589,985 0.808,986 0.875,987 0.884,988 0.884,989 5.173,990 1.86,991 6.08,992 6.104,993 4.727,994 5.159,995 2.18,996 6.855,997 4.606,998 6.336,999 1.725,1000 7.611,1001 5.335,1002 4.205,1003 4.844,1004 0.57,1005 7.642,1006 4.039,1007 7.617,1008 1.476,1009 9.24,1010 4.272,1011 6.286,1012 7.248,1013 1.782,1014 10.745,1015 6.058,1016 8.929,1017 1.396,1018 10.926,1019 4.014,1020 6.581,1021 7.731,1022 0.479,1023 12.353,1024 6.307,1025 10.274,1026 1.182,1027 12.649,1028 3.024,1029 8.105,1030 9.622,1031 1.476,1032 14.958,1033 7.777,1034 11.64,1035 1.067,1036 14.399,1037 2.671,1038 8.796,1039 10.493,1040 0.346,1041 16.933,1042 8.421,1043 13.023,1044 1,1045 16.169,1046 2.602,1047 10.077,1048 12.148,1049 1.215,1050 19.353,1051 9.653,1052 3.094,1053 1,1054 17.953,1055 2.136,1056 10.972,1057 13.229,1058 0.237,1059 21.505,1060 10.5,1061 2.972,1062 10.37,1063 19.75,1064 2.136,1065 12.145,1066 14.759,1067 0.986,1068 23.855,1069 11.626,1070 2.678,1071 9.4,1072 21.557,1073 3.991,1074 13.143,1075 15.959,1076 0.158,1077 26.092,1078 12.577,1079 2.601,1080 8.066,1081 23.373,1082 3.894,1083 14.27,1084 17.42,1085 0.788,1086 28.419,1087 13.66,1088 2.431,1089 7.715,1090 25.197,1091 3.648,1092 15.32,1093 18.689,1094 0.104,1095 30.697,1096 14.664,1097 2.251,1098 7.172,1099 27.026,1100 2.944,1101 16.431,1102 20.11,1103 0.621,1104 33.018,1105 15.73,1106 2.09,1107 6.47,1108 28.862,1109 2.873,1110 17.509,1111 21.419,1112 0.068,1113 35.318,1114 16.763,1115 20343,1116 31664,1117 28.027,1118 46.267,1119 60.456,1120 61.368,1121 61.819,1122 60.258,1123 60.218,1124 73.533,1125 10.689,1126 168.415,1127 56.469,1128 5.389,1129 5.318,1130 6.398,1131 5.149,1132 5.094,1133 6.991,1134 1.72,1135 17.478,1136 4.955,1137 14.485,1138 1.475,1139 1.497,1140 1.508,1141 1.47,1142 1.469,1143 1.793,1144 0.261,1145 4.108,1146 1.377,1147 4.027,1148 4.067,1149 3.977,1150 3.92,1151 6.457,1152 3.926,1153 3.946,1154 3.977,1155 3.892,1156 3.856,1157 5.027,1158 3.862,1159 3.799,1160 3.848,1161 3.743,1162 3.628,1163 4.834,1164 3.651,1165 3.779,1166 3.827,1167 3.66,1168 3.61,1169 4.695,1170 3.613,1171 3.66,1172 3.704,1173 3.547,1174 3.473,1175 4.628,1176 3.484,1177 3.361,1178 3.426,1179 3.23,1180 3.178,1181 4.576,1182 3.176,1183 3.257,1184 3.345,1185 3.098,1186 3.032,1187 4.274,1188 3.036,1189 3.111,1190 3.206,1191 2.975,1192 2.941,1193 4.12,1194 2.91,1195 0.107,1196 0.081,1197 0.161,1198 0.099,1199 0.075,1200 4.389,1201 0.097,1202 3.318,1203 0.021,1204 6.596,1205 0.253,1206 4.045,1207 0.072,1208 3.094,1209 3.991,1210 0.86,1211 10.37,1212 2.955,1213 1.95,1214 1.922,1215 2.055,1216 2.08,1217 1.325,1218 2.068,1219 1.917,1220 1.89,1221 2.028,1222 2.043,1223 1.235,1224 2.043,1225 1.75,1226 1.705,1227 1.965,1228 1.957,1229 1.207,1230 1.96,1231 1.722,1232 1.671,1233 1.855,1234 1.919,1235 1.017,1236 1.903,1237 1.613,1238 1.563,1239 1.796,1240 1.805,1241 0.845,1242 1.806,1243 1.332,1244 1.272,1245 1.616,1246 1.571,1247 0.825,1248 1.582,1249 1.239,1250 1.144,1251 1.576,1252 1.505,1253 0.825,1254 1.535,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.735,1260 1.429,1261 4.419,1263 5.727,1265 7.233,1267 8.825,1269 10.46,1271 4.013,1276 9.575,1277 6.325,1278 3.393,1279 17.42,1281 0.146,1282 4.318,1289 43.868,1290 110.494,1291 261.732,1292 359.073,1293 388.725,1294 392.725,1295 392.725,1296 58.009,1297 8.268,1298 92.21,1299 92.21,1300 30,1301 12.738,1302 4.248,1303 3.322,1304 56.542,1305 177,1306 178,1307 0.151,1308 265.999,1309 464.86,1310 640.797,1311 49703,1313 25.614,1314 0.692,1315 0.582,1316 25.614,1317 21.521,1318 18.085,1319 0.441,1320 0.313,1321 12.616,1322 17.189,1323 12.317,1324 10.134,1325 18.085,1326 12.852,1327 15.953,1328 0.285,1329 0.169,1330 15.953,1331 9.446,1332 13.5,1333 0.185,1334 0.093,1335 13.5,1336 6.797,1337 11.283,1338 0.119,1339 0.049,1340 11.283,1341 4.677,1342 9.368,1343 0.077,1344 0.026,1345 9.368,1346 3.217,1347 0.239,1348 114.5,1349 0.189,1350 33.695,1351 0.411,1352 194,1353 556.27,1354 216.283,1355 521.697,1356 720.22,1357 496,1358 226,1359 526.673,1360 248.399,1361 529.203,1362 776.4,1363 498,1364 7.638}
{0 CHEMBL1762544,1 1.554,2 13.229,3 4.002,4 16.014,5 137.718,6 7.054,7 0.474,8 4.314,9 4.436,10 3.832,11 3.759,12 5.378,13 3.753,14 4.864,15 5.052,16 4.142,17 4.118,18 5.871,19 4.095,20 5.038,21 5.236,22 4.215,23 4.294,24 6.012,25 4.235,26 5.134,27 5.36,28 4.204,29 4.365,30 6.067,31 4.266,32 5.224,33 5.47,34 4.234,35 4.381,36 6.124,37 4.288,38 5.201,39 5.432,40 4.244,41 4.34,42 6.164,43 4.264,44 5.2,45 5.441,46 4.186,47 4.292,48 6.179,49 4.206,50 5.155,51 5.416,52 4.09,53 4.23,54 6.044,55 4.137,56 0.046,57 0.988,58 15.36,59 5.941,60 12.134,61 8.195,62 0.51,63 1.516,64 29.587,65 9.285,66 39.839,67 13.007,68 0.568,69 1.817,70 34.861,71 11.158,72 42.414,73 16.38,74 0.436,75 1.967,76 38.152,77 13.584,78 43.867,79 19.941,80 0.484,81 2.041,82 43.024,83 13.898,84 49.891,85 20.957,86 0.633,87 2.003,88 42.167,89 12.752,90 56.188,91 19.146,92 0.83,93 1.931,94 42.922,95 12.451,96 74.281,97 19.046,98 0.584,99 1.85,100 41.075,101 11.754,102 53.675,103 18.334,104 24,105 51,106 0.246,107 0.571,108 0.786,109 0.86,110 0.869,111 0.869,112 3.588,113 0.924,114 -3.5,115 -3.47,116 -3.32,118 38.2,119 1,123 2,124 7,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 2,171 9,173 2,175 3,178 8,181 2,182 3,186 2,188 4,191 2,192 9,195 3,197 3,199 3,204 7,206 1,208 1,211 3,214 4,215 7,220 3,223 3,227 2,228 5,231 3,233 4,239 2,240 4,245 1,247 5,251 4,255 1,256 1,260 6,264 2349,265 24.032,266 24.032,267 24.032,268 24.032,269 24.032,270 21.91,271 42.163,272 14.59,273 24.949,274 18.709,275 18.709,276 18.709,277 18.709,278 18.709,279 15.359,280 70.859,281 6.886,282 20.085,283 4.534,284 2.477,285 1.116,286 0.651,287 0.592,288 0.592,289 4.285,294 1,295 985,296 3.674,300 484.976,307 1.892,308 28.039,311 1,312 0.5,313 0.83,314 1,315 1,316 1,317 1,318 0.9,319 76.5,320 463,321 4.389,322 3.318,323 6.596,324 4.045,325 3.094,326 3.991,327 0.86,328 10.37,329 2.955,330 4.276,331 3.198,332 6.212,333 3.915,334 2.963,335 3.892,336 0.86,337 9.384,338 2.821,339 4.047,340 2.883,341 5.782,342 3.619,343 2.678,344 3.648,345 0.86,346 8.058,347 2.517,348 3.693,349 2.802,350 5.565,351 3.429,352 2.49,353 2.944,354 0.8,355 7.474,356 2.331,357 3.591,358 2.648,359 5.288,360 3.256,361 2.318,362 2.853,363 0.8,364 6.751,365 2.184,366 3.438,367 2.435,368 5.17,369 3.094,370 2.131,371 2.711,372 0.765,373 6.254,374 2.03,375 3.243,376 2.306,377 4.864,378 2.861,379 1.929,380 2.477,381 0.4,382 5.511,383 1.79,384 2.907,385 2.182,386 4.409,387 2.652,388 1.731,389 2.023,391 4.295,392 1.587,393 2.859,394 2.052,395 4.354,396 2.469,397 1.573,398 1.935,400 4.014,401 1.428,402 2.656,403 1.623,404 3.625,405 2.433,406 1.47,407 1.728,409 3.067,410 1.381,411 2.621,412 1.45,413 3.604,414 2.129,415 1.183,416 1.624,417 2.671,418 1.117,419 2.204,420 1.268,421 3.489,422 1.966,423 1.075,424 1.182,425 2.601,426 0.949,427 2.041,428 1.256,429 3.436,430 1.952,431 1,432 1,433 2.136,434 0.946,435 2,436 1.208,437 3.247,438 1.677,439 0.73,440 0.928,441 1.821,442 0.689,443 1.787,444 1.122,445 2.947,446 1.556,447 0.713,448 0.752,449 1.239,450 0.597,451 16.333,452 0.467,453 0.691,454 0.02,455 43.75,456 1.25,457 20,458 0.571,459 23.75,460 0.679,461 32.083,462 0.917,463 39.467,464 0.58,465 36.547,466 1.044,467 9.019,468 0.258,469 8.049,470 0.23,471 0.112,473 0.294,478 0.96,479 1.589,480 0.844,481 1.296,482 0.959,483 1.084,484 1.412,485 0.964,486 0.981,487 0.837,488 1.061,489 0.837,490 1.088,491 1.161,492 1.066,493 1.005,494 0.827,495 1.02,496 0.599,497 1.162,498 0.966,499 1.174,500 0.752,501 1.137,502 0.83,503 1.102,504 0.901,505 1.002,506 0.772,507 0.963,508 1.047,509 1.093,510 1.038,511 1.031,512 0.896,513 1.023,514 1.012,515 1.07,516 1.024,517 0.974,518 1.241,519 0.991,520 0.989,521 1.017,522 0.979,523 0.93,524 0.972,525 0.933,526 6.5,527 0.239,528 2.889,529 2.313,530 1.72,531 1.222,532 0.688,533 0.431,534 0.312,535 0.294,536 17950,537 45773,538 2.075,539 48.5,540 3,541 27,543 1,544 2,549 1.771,550 1.963,551 3.695,552 0.191,558 105.661,559 1.554,560 3.61,561 4.971,562 5.437,563 5.495,564 5.495,565 3.087,566 4.901,567 5.1,568 3.85,569 2290.97,570 8.974,571 36454.4,576 413.947,577 1.316,578 5.07,579 0.171,580 0.006,581 0.057,582 0.043,583 0.033,584 0.023,585 0.013,586 0.009,587 0.007,588 0.007,589 0.368,590 0.33,591 0.88,592 1.18,593 189.946,594 -0.051,595 -0.323,596 0.066,597 -0.152,598 -0.09,599 -0.042,600 -0.149,601 0.157,602 0.021,603 0.164,604 -0.063,605 0.121,606 -0.08,607 -0.035,608 -0.1,609 0.014,610 -0.047,611 -0.037,612 0.087,613 -0.076,614 -0.038,615 -0.133,616 0.022,617 -0.115,618 -0.017,619 -0.08,620 0.06,621 -0.003,622 0.004,623 0.036,624 -0.044,625 -0.031,626 -0.053,627 -0.062,628 -0.015,629 -0.059,630 0.049,631 -0.049,632 -0.025,633 -0.022,634 -0.027,635 -0.035,636 -0.06,638 0.012,639 0.006,640 -0.074,641 0.024,642 1.508,643 3.539,644 0.686,645 40.232,646 1.003,647 1.134,648 2.267,649 5.139,650 0.64,651 3.664,652 3.951,653 4.205,654 4.454,655 4.7,656 4.745,657 4.868,658 4.977,659 5.081,660 5.165,661 7.837,662 0.608,663 479.64,664 3.664,665 5.187,666 6.023,667 6.887,668 7.742,669 8.613,670 9.477,671 10.352,672 11.219,673 12.097,674 7.4,680 1,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 2,714 1,716 68,718 18,719 2,720 38,722 71,723 26,724 16,725 6,726 6,728 4,729 4,732 2,740 16,741 10,760 33,761 9,762 2,763 9,769 5,775 1,776 4,777 1,788 1,794 4,817 1,818 2,819 4,823 3,827 35,832 1,833 7,834 1,835 3,838 2,850 5.9,851 1,854 2,855 1,858 17.833,859 12.917,860 7.944,861 3.86,863 3.4,864 1.426,865 0.944,866 8.903,867 11.384,868 3.871,869 4.413,870 4.943,871 5.49,872 6.027,873 6.207,874 6.53,875 6.891,876 7.242,877 7.594,878 0.889,879 54,880 12.909,881 5.265,882 7.638,883 24.904,884 19.704,885 2.138,886 74.833,890 364.904,891 150.179,892 57.83,894 75.683,897 150.179,898 440.587,899 57.83,900 28.105,901 22.581,902 109.017,903 67.342,904 64.192,905 4.227,906 353.133,908 364.904,909 208.009,910 75.683,913 364.904,914 11,915 64.683,917 63.488,918 110.95,919 33.571,921 364.904,922 133.513,923 150.179,926 364.904,927 46.693,928 109.734,929 18.011,930 109.254,931 364.904,932 133.513,933 150.179,935 0.565,936 0.329,937 0.179,938 0.103,939 22,940 10,941 0.141,942 10,944 1,945 4.537,946 324.721,948 24,949 175.525,954 25.356,955 12.29,956 6.688,958 133.513,959 15.534,960 9.166,964 6.77,966 60.694,967 648.596,968 47,980 68.189,981 77.142,983 0.255,984 0.593,985 0.817,986 0.893,987 0.903,988 0.903,989 5.097,990 1.731,991 5.984,992 5.511,993 4.635,994 5.1,995 2.18,996 6.758,997 4.51,998 6.265,999 1.573,1000 7.516,1001 4.295,1002 4.111,1003 4.796,1004 0.57,1005 7.561,1006 3.951,1007 7.548,1008 1.47,1009 9.147,1010 4.014,1011 6.188,1012 7.211,1013 1.782,1014 10.665,1015 5.96,1016 8.865,1017 1.183,1018 10.838,1019 3.067,1020 6.494,1021 7.705,1022 0.479,1023 12.292,1024 6.228,1025 10.214,1026 1.075,1027 12.567,1028 2.671,1029 8.011,1030 9.602,1031 1.476,1032 14.9,1033 7.689,1034 11.586,1035 1,1036 14.323,1037 2.601,1038 8.717,1039 10.478,1040 0.346,1041 16.889,1042 8.353,1043 12.974,1044 0.73,1045 16.099,1046 2.136,1047 9.993,1048 12.136,1049 1.215,1050 19.314,1051 9.581,1052 3.094,1053 0.713,1054 17.89,1055 1.821,1056 10.901,1057 13.22,1058 0.237,1059 21.474,1060 10.444,1061 2.963,1062 10.37,1063 19.693,1064 1.239,1065 12.073,1066 14.752,1067 0.986,1068 23.829,1069 11.57,1070 2.678,1071 9.384,1072 21.505,1073 3.991,1074 13.081,1075 15.953,1076 0.158,1077 26.071,1078 12.532,1079 2.49,1080 8.058,1081 23.326,1082 3.892,1083 14.209,1084 17.415,1085 0.788,1086 28.401,1087 13.617,1088 2.318,1089 7.474,1090 25.155,1091 3.648,1092 15.267,1093 18.684,1094 0.104,1095 30.683,1096 14.629,1097 2.131,1098 6.751,1099 26.989,1100 2.944,1101 16.38,1102 20.106,1103 0.621,1104 33.005,1105 15.697,1106 1.929,1107 6.254,1108 28.829,1109 2.853,1110 17.463,1111 21.415,1112 0.068,1113 35.308,1114 16.735,1115 17304,1116 27767,1117 25.542,1118 43.506,1119 55.441,1120 56.284,1121 57.384,1122 55.242,1123 55.271,1124 68.609,1125 10.689,1126 153.092,1127 51.64,1128 5.389,1129 5.318,1130 6.506,1131 5.149,1132 5.094,1133 6.991,1134 1.72,1135 17.478,1136 4.955,1137 16.359,1138 1.459,1139 1.481,1140 1.51,1141 1.454,1142 1.455,1143 1.806,1144 0.281,1145 4.029,1146 1.359,1147 4.021,1148 4.061,1149 3.973,1150 3.917,1151 6.457,1152 3.923,1153 3.942,1154 3.973,1155 3.889,1156 3.852,1157 5.027,1158 3.858,1159 3.791,1160 3.843,1161 3.741,1162 3.625,1163 4.838,1164 3.648,1165 3.682,1166 3.725,1167 3.569,1168 3.478,1169 4.695,1170 3.492,1171 3.543,1172 3.588,1173 3.395,1174 3.298,1175 4.638,1176 3.311,1177 3.361,1178 3.425,1179 3.229,1180 3.178,1181 4.585,1182 3.176,1183 3.256,1184 3.345,1185 3.095,1186 3.031,1187 4.281,1188 3.035,1189 3.143,1190 3.218,1191 2.972,1192 2.941,1193 4.12,1194 2.91,1195 0.116,1196 0.087,1197 0.174,1198 0.106,1199 0.081,1200 4.389,1201 0.105,1202 3.318,1203 0.023,1204 6.596,1205 0.273,1206 4.045,1207 0.078,1208 3.094,1209 3.991,1210 0.86,1211 10.37,1212 2.955,1213 1.95,1214 1.922,1215 2.055,1216 2.077,1217 1.238,1218 2.066,1219 1.913,1220 1.885,1221 2.016,1222 2.039,1223 1.207,1224 2.037,1225 1.723,1226 1.673,1227 1.861,1228 1.92,1229 1.041,1230 1.904,1231 1.626,1232 1.576,1233 1.81,1234 1.845,1235 0.958,1236 1.837,1237 1.472,1238 1.421,1239 1.745,1240 1.74,1241 0.845,1242 1.741,1243 1.332,1244 1.272,1245 1.616,1246 1.571,1247 0.825,1248 1.582,1249 1.239,1250 1.143,1251 1.576,1252 1.505,1253 0.734,1254 1.536,1255 1.153,1256 1.064,1257 1.513,1258 1.415,1259 0.604,1260 1.445,1261 4.344,1263 5.638,1265 7.133,1267 8.719,1269 10.354,1271 5.648,1276 9.539,1277 4.016,1278 3.34,1279 16.552,1282 4.268,1289 41.341,1290 105.661,1291 245.499,1292 338.031,1293 369.683,1294 373.683,1295 373.683,1296 55.683,1297 7.984,1298 92.21,1299 92.21,1300 24,1301 12.637,1302 4.248,1303 3.322,1304 59.316,1305 165,1306 172,1307 0.173,1308 254.208,1309 442.62,1310 612.027,1311 35186,1313 24.623,1314 0.704,1315 0.587,1316 24.623,1317 20.529,1318 17.067,1319 0.449,1320 0.308,1321 11.46,1322 16.143,1323 11.12,1324 9.224,1325 17.067,1326 11.708,1327 14.709,1328 0.288,1329 0.164,1330 14.709,1331 8.358,1332 12.324,1333 0.187,1334 0.089,1335 12.324,1336 5.882,1337 10.115,1338 0.119,1339 0.046,1340 10.115,1341 3.949,1342 8.353,1343 0.077,1344 0.025,1345 8.353,1346 2.68,1347 0.273,1348 108.693,1349 0.198,1350 32.265,1351 0.468,1352 178,1353 540.27,1354 198.954,1355 505.896,1356 691.68,1357 480,1358 206,1359 496.854,1360 227.18,1361 503.51,1362 733.28,1363 470,1364 7.456}
{0 CHEMBL1762545,1 1.549,2 12.438,3 4.133,4 17.079,5 126.674,6 7.141,7 0.514,8 4.21,9 4.333,10 3.741,11 3.675,12 5.288,13 3.668,14 4.748,15 4.937,16 4.068,17 4.043,18 5.769,19 4.019,20 4.928,21 5.124,22 4.145,23 4.223,24 5.907,25 4.166,26 5.043,27 5.265,28 4.125,29 4.29,30 5.995,31 4.191,32 5.129,33 5.38,34 4.138,35 4.296,36 6.03,37 4.197,38 5.099,39 5.336,40 4.113,41 4.232,42 6.071,43 4.148,44 5.08,45 5.334,46 4.01,47 4.143,48 6.057,49 4.047,50 4.962,51 5.235,52 3.847,53 4.022,54 5.872,55 3.92,56 0.037,57 0.906,58 13.493,59 5.266,60 11.542,61 7.24,62 0.409,63 1.407,64 25.746,65 8.333,66 34.089,67 11.652,68 0.355,69 1.694,70 30.356,71 10.06,72 32.268,73 14.678,74 0.399,75 1.836,76 34.428,77 12.375,78 40.791,79 18.035,80 0.389,81 1.901,82 38.861,83 12.763,84 43.11,85 19.249,86 0.577,87 1.832,88 37.998,89 11.448,90 52.908,91 17.122,92 0.677,93 1.699,94 38.359,95 11.238,96 69.701,97 17.011,98 0.519,99 1.54,100 34.108,101 9.535,102 50.819,103 14.927,104 21,105 48,106 0.25,107 0.595,108 0.799,109 0.852,110 0.862,111 0.862,112 3.502,113 0.911,114 -3.82,115 -3.78,116 -3.59,118 39.3,119 1,123 2,124 5,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 2,171 9,173 2,175 3,178 8,181 1,182 3,186 2,188 4,191 2,192 9,195 3,197 3,199 3,204 5,206 1,208 1,211 3,214 4,215 7,220 3,223 3,227 1,228 4,231 2,233 4,239 2,240 4,245 1,247 5,251 2,255 1,256 1,260 6,264 1760,265 21.911,266 21.911,267 21.911,268 21.911,269 21.911,270 19.788,271 39.244,272 12.96,273 22.667,274 17.171,275 17.171,276 17.171,277 17.171,278 17.171,279 13.799,280 68.051,281 6.042,282 18.296,283 4.382,284 2.248,285 0.982,286 0.66,287 0.595,288 0.595,289 4.199,293 1,294 1,295 855,296 3.24,300 433.461,307 1.848,308 23.635,311 1,312 1,313 1,314 1,315 1,316 1,317 1,318 1,319 69.5,320 398,321 4.389,322 3.318,323 6.596,324 4.045,325 3.094,326 3.991,327 0.86,328 10.37,329 2.954,330 4.274,331 3.194,332 6.212,333 3.913,334 2.961,335 3.891,336 0.86,337 9.378,338 2.82,339 4.047,340 2.873,341 5.782,342 3.619,343 2.678,344 3.648,345 0.8,346 8.057,347 2.517,348 3.691,349 2.778,350 5.56,351 3.425,352 2.484,353 2.944,354 0.8,355 7.45,356 2.329,357 3.586,358 2.627,359 5.276,360 3.248,361 2.306,362 2.85,363 0.765,364 6.696,365 2.181,366 3.431,367 2.418,368 5.167,369 3.083,370 2.12,371 2.704,372 0.4,373 6.23,374 2.021,375 3.232,376 2.284,377 4.849,378 2.834,379 1.896,380 2.47,382 5.446,383 1.771,384 2.903,385 2.069,386 4.406,387 2.645,388 1.727,389 2.022,391 4.276,392 1.579,393 2.859,394 1.618,395 4.352,396 2.442,397 1.473,398 1.932,400 4.014,401 1.424,402 2.655,403 1.426,404 3.622,405 2.13,406 1.183,407 1.727,409 2.674,410 1.117,411 2.205,412 1.256,413 3.492,414 1.968,415 1.076,416 1.183,417 2.606,418 0.95,419 2.041,420 1.209,421 3.436,422 1.952,423 1,424 1,425 2.136,426 0.946,427 2,428 1.122,429 3.247,430 1.677,431 0.73,432 0.928,433 1.821,434 0.689,435 1.703,436 0.979,437 2.947,438 1.465,439 0.558,440 0.618,441 0.902,442 0.499,443 1.584,444 0.84,445 2.854,446 1.296,447 0.435,448 0.484,449 0.641,450 0.371,451 15,452 0.469,453 0.691,454 0.022,455 41.75,456 1.305,457 20,458 0.625,459 21.75,460 0.68,461 27.609,462 0.863,463 35.4,464 0.58,465 33.409,466 1.044,467 8.526,468 0.266,469 7.041,470 0.22,471 0.122,473 0.32,478 0.968,479 1.548,480 0.834,481 1.235,482 0.966,483 1.044,484 1.315,485 0.952,486 0.928,487 0.817,488 0.972,489 0.812,490 1.073,491 1.204,492 1.053,493 1.043,494 0.775,495 1.035,496 0.636,497 1.16,498 1.014,499 1.185,500 0.797,501 1.163,502 0.774,503 1.111,504 0.898,505 1.016,506 0.729,507 0.976,508 1.099,509 1.047,510 1.085,511 1.022,512 0.916,513 1.036,514 1.105,515 1.044,516 1.001,517 0.935,518 1.298,519 0.948,520 1.049,521 0.891,522 1.015,523 0.845,524 1.058,525 0.891,526 6.5,527 0.182,528 2.889,529 2.313,530 1.72,531 1.194,532 0.628,533 0.387,534 0.28,535 0.258,536 14235,537 35824,538 2.082,539 47.5,540 3,541 23,543 1,544 2,549 1.746,550 1.959,551 3.614,552 0.208,554 1,558 94.49,559 1.549,560 3.683,561 4.949,562 5.271,563 5.336,564 5.336,565 3.043,566 4.726,567 4.974,568 3.758,569 1863.91,570 8.706,571 27439.7,573 1,576 361.775,577 1.366,578 4.936,579 0.186,580 0.006,581 0.06,582 0.045,583 0.036,584 0.024,585 0.014,586 0.009,587 0.008,588 0.008,589 0.397,590 0.33,591 1,592 0.781,593 168.49,594 -0.055,595 -0.309,596 0.063,597 -0.127,598 -0.102,599 -0.032,600 -0.104,601 0.174,602 0.055,603 0.176,604 -0.023,605 0.139,606 -0.13,607 -0.071,608 -0.106,609 -0.032,610 -0.053,611 -0.06,612 0.088,613 -0.085,614 -0.084,615 -0.16,616 -0.008,617 -0.156,618 0.008,619 -0.102,620 0.062,621 -0.026,622 0.022,623 0.02,624 -0.046,625 -0.003,626 -0.093,627 -0.073,628 -0.026,629 -0.086,630 0.021,631 -0.077,632 0.012,633 0.006,634 -0.02,635 0.006,636 -0.08,637 0.11,638 -0.009,639 0.066,640 -0.106,641 0.052,642 1.501,643 3.498,644 0.75,645 31.875,646 1.002,647 1.133,648 2.594,649 6.728,650 0.648,651 3.584,652 3.892,653 4.159,654 4.407,655 4.654,656 4.673,657 4.779,658 4.852,659 4.949,660 5.017,661 7.329,662 0.616,663 435.58,664 3.584,665 5.118,666 5.964,667 6.834,668 7.696,669 8.571,670 9.438,671 10.315,672 11.184,673 12.062,674 8.2,680 1,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 2,714 1,716 61,718 18,719 2,720 35,722 64,723 24,724 16,725 6,726 6,728 4,729 4,732 2,740 16,741 8,757 1,760 29,761 8,762 2,763 8,769 5,775 1,776 3,777 1,788 1,794 4,817 1,818 1,819 4,823 3,827 32,832 1,833 5,834 1,835 2,838 2,850 4.9,851 1,854 1,855 1,858 16.333,859 11.75,860 7.194,861 3.443,863 3.405,864 1.435,865 0.956,866 7.223,867 11.238,868 3.807,869 4.376,870 4.922,871 5.47,872 6.006,873 6.169,874 6.481,875 6.823,876 7.181,877 7.534,878 1,879 51,880 11.787,881 4.849,882 7.635,883 22.736,884 18.164,885 2.135,886 68.333,889 1,890 317.82,891 140.994,892 57.83,894 64.683,897 140.994,898 382.503,899 57.83,900 28.105,901 13.396,902 109.017,903 56.342,904 64.192,905 4.227,906 306.049,908 317.82,909 198.824,910 64.683,913 317.82,914 11,915 53.683,917 54.303,918 110.95,919 33.571,921 317.82,922 122.514,923 140.994,926 317.82,927 37.508,928 109.734,929 18.011,930 98.254,931 317.82,932 122.514,933 140.994,935 0.573,936 0.342,937 0.185,938 0.107,939 22,940 10,941 0.109,942 7,944 1,945 4.275,946 290.984,948 24,949 156,954 22.491,955 10.277,956 5.39,958 122.514,959 15.521,960 9.107,964 6.864,966 60.694,967 581.327,968 44,980 61.094,981 69.102,983 0.261,984 0.621,985 0.834,986 0.889,987 0.9,988 0.9,989 5.04,990 1.727,991 5.938,992 5.446,993 4.575,994 5.063,995 1.997,996 6.727,997 4.459,998 6.224,999 1.473,1000 7.483,1001 4.276,1002 4.111,1003 4.796,1004 0.57,1005 7.561,1006 3.951,1007 7.517,1008 1.183,1009 9.124,1010 4.014,1011 6.151,1012 7.198,1013 1.578,1014 10.652,1015 5.934,1016 8.843,1017 1.076,1018 10.822,1019 2.674,1020 6.494,1021 7.705,1022 0.479,1023 12.288,1024 6.228,1025 10.198,1026 1,1027 12.556,1028 2.606,1029 7.989,1030 9.597,1031 1.272,1032 14.892,1033 7.676,1034 11.574,1035 0.73,1036 14.315,1037 2.136,1038 8.715,1039 10.477,1040 0.346,1041 16.885,1042 8.352,1043 12.965,1044 0.558,1045 16.093,1046 1.821,1047 9.98,1048 12.134,1049 1.019,1050 19.309,1051 9.574,1052 3.094,1053 0.435,1054 17.885,1055 0.902,1056 10.898,1057 13.218,1058 0.237,1059 21.471,1060 10.442,1061 2.961,1062 10.37,1063 19.688,1064 0.641,1065 12.064,1066 14.75,1067 0.805,1068 23.825,1069 11.566,1070 2.678,1071 9.378,1072 21.502,1073 3.991,1074 13.077,1075 15.952,1076 0.158,1077 26.068,1078 12.53,1079 2.484,1080 8.057,1081 23.323,1082 3.891,1083 14.203,1084 17.413,1085 0.627,1086 28.398,1087 13.614,1088 2.306,1089 7.45,1090 25.152,1091 3.648,1092 15.263,1093 18.682,1094 0.104,1095 30.68,1096 14.626,1097 2.12,1098 6.696,1099 26.986,1100 2.944,1101 16.375,1102 20.104,1103 0.482,1104 33.003,1105 15.695,1106 1.896,1107 6.23,1108 28.826,1109 2.85,1110 17.459,1111 21.413,1112 0.068,1113 35.305,1114 16.733,1115 13604,1116 21716,1117 23.463,1118 39.529,1119 51.554,1120 52.429,1121 53.45,1122 51.374,1123 51.44,1124 64.783,1125 8.969,1126 145.388,1127 48.338,1128 5.389,1129 5.318,1130 6.398,1131 5.149,1132 5.094,1133 6.991,1134 1.72,1135 17.478,1136 4.954,1137 15.148,1138 1.473,1139 1.498,1140 1.527,1141 1.468,1142 1.47,1143 1.851,1144 0.256,1145 4.154,1146 1.381,1147 4.019,1148 4.059,1149 3.971,1150 3.916,1151 6.457,1152 3.922,1153 3.941,1154 3.973,1155 3.887,1156 3.851,1157 5.027,1158 3.857,1159 3.791,1160 3.843,1161 3.74,1162 3.625,1163 4.842,1164 3.648,1165 3.675,1166 3.719,1167 3.563,1168 3.477,1169 4.694,1170 3.489,1171 3.363,1172 3.428,1173 3.233,1174 3.178,1175 4.614,1176 3.177,1177 3.278,1178 3.353,1179 3.123,1180 3.038,1181 4.375,1182 3.046,1183 3.233,1184 3.311,1185 3.056,1186 2.974,1187 4.123,1188 2.983,1189 3.111,1190 3.206,1191 2.926,1192 2.941,1193 3.979,1194 2.91,1195 0.125,1196 0.095,1197 0.188,1198 0.116,1199 0.088,1200 4.389,1201 0.114,1202 3.318,1203 0.025,1204 6.596,1205 0.296,1206 4.045,1207 0.084,1208 3.094,1209 3.991,1210 0.86,1211 10.37,1212 2.954,1213 1.95,1214 1.922,1215 2.055,1216 2.076,1217 1.238,1218 2.065,1219 1.912,1220 1.884,1221 2.016,1222 2.038,1223 1.207,1224 2.037,1225 1.723,1226 1.673,1227 1.859,1228 1.92,1229 1.023,1230 1.904,1231 1.622,1232 1.572,1233 1.803,1234 1.829,1235 0.845,1236 1.824,1237 1.332,1238 1.273,1239 1.616,1240 1.575,1241 0.825,1242 1.584,1243 1.243,1244 1.153,1245 1.581,1246 1.522,1247 0.735,1248 1.545,1249 1.194,1250 1.116,1251 1.561,1252 1.49,1253 0.605,1254 1.517,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.573,1260 1.429,1261 4.263,1263 5.572,1265 7.084,1267 8.683,1269 10.326,1271 5.658,1276 9.498,1277 3.118,1278 3.315,1279 10.983,1282 4.269,1289 37.573,1290 94.49,1291 224.658,1292 301.859,1293 321.51,1294 325.51,1295 325.51,1296 46.711,1297 7.833,1298 82.98,1299 82.98,1300 24,1301 12.601,1302 4.248,1303 3.322,1304 51.832,1305 142,1306 134,1307 0.177,1308 231.027,1309 399.23,1310 555.465,1311 29563,1313 22.501,1314 0.703,1315 0.585,1316 22.501,1317 18.707,1318 15.567,1319 0.445,1320 0.304,1321 10.422,1322 14.788,1323 10.09,1324 8.392,1325 15.567,1326 10.631,1327 13.622,1328 0.284,1329 0.161,1330 13.622,1331 7.721,1332 11.686,1333 0.185,1334 0.088,1335 11.686,1336 5.561,1337 9.529,1338 0.118,1339 0.046,1340 9.529,1341 3.741,1342 7.969,1343 0.077,1344 0.025,1345 7.969,1346 2.568,1347 0.279,1348 98.693,1349 0.206,1350 29.922,1351 0.479,1352 166,1353 484.534,1354 184.076,1355 460.182,1356 635,1357 436,1358 194,1359 465.218,1360 212.412,1361 473.233,1362 689.12,1363 442,1364 7.495}
{0 CHEMBL1762546,1 1.683,2 12.529,3 3.675,4 13.506,5 133.966,6 7.677,7 0.486,8 4.244,9 4.354,10 3.95,11 3.769,12 5.305,13 3.733,14 4.798,15 4.97,16 4.228,17 4.14,18 5.997,19 4.1,20 5.01,21 5.195,22 4.277,23 4.309,24 6.114,25 4.244,26 5.103,27 5.314,28 4.278,29 4.359,30 6.129,31 4.261,32 5.173,33 5.412,34 4.328,35 4.381,36 6.193,37 4.273,38 5.164,39 5.385,40 4.328,41 4.356,42 6.2,43 4.256,44 5.196,45 5.428,46 4.284,47 4.278,48 6.364,49 4.183,50 5.081,51 5.328,52 4.088,53 4.124,54 6.212,55 4.038,56 0.113,57 0.967,58 15.741,59 6.136,60 20.646,61 7.457,62 0.526,63 1.522,64 29.1,65 9.862,66 65.023,67 12.406,68 0.527,69 1.829,70 34.452,71 11.698,72 59.752,73 15.401,74 0.481,75 1.97,76 37.523,77 13.285,78 56.533,79 18.423,80 0.648,81 2.058,82 43.352,83 14.434,84 59.917,85 20.186,86 0.617,87 2.053,88 45.492,89 13.787,90 70.535,91 18.466,92 0.993,93 1.944,94 48.686,95 13.933,96 134.216,97 18.517,98 0.929,99 1.712,100 41.177,101 11.177,102 109.504,103 15.726,104 41,105 53,106 0.269,107 0.601,108 0.797,109 0.847,110 0.857,111 0.857,112 3.561,113 1.042,114 -3.75,115 -3.71,116 -3.53,118 38.1,119 1,123 2,124 5,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 3,171 7,173 2,175 3,178 8,181 1,182 7,186 2,188 4,191 1,192 8,195 2,197 3,199 3,203 2,204 7,206 3,208 1,211 3,214 2,215 7,220 3,223 3,227 4,228 4,231 2,233 4,239 3,240 3,245 1,247 5,251 4,252 2,255 1,256 1,260 6,264 2032,265 22.513,266 22.513,267 22.513,268 22.513,269 22.513,270 20.089,271 38.083,272 13.104,273 23.335,274 18.218,275 18.218,276 18.218,277 18.218,278 18.218,279 14.361,280 64.316,281 6.193,282 19.58,283 4.294,284 2.208,285 0.983,286 0.671,287 0.607,288 0.607,289 4.251,294 1,295 909,296 3.937,300 465.313,307 1.82,308 39.643,311 1,312 0.67,313 1,314 0.8,315 0.5,316 1,317 1,318 0.85,319 74.5,320 426,321 4.814,322 5.181,323 7.125,324 4.213,325 3.338,326 4.676,327 2.95,328 11.744,329 2.955,330 4.388,331 3.318,332 6.596,333 4.044,334 3.093,335 3.989,336 0.86,337 10.37,338 2.927,339 4.163,340 3.156,341 6.168,342 3.787,343 2.855,344 3.737,345 0.8,346 9.182,347 2.615,348 4.035,349 2.859,350 5.78,351 3.619,352 2.678,353 3.609,354 0.8,355 8.045,356 2.517,357 3.674,358 2.726,359 5.496,360 3.378,361 2.429,362 2.943,363 0.765,364 7.279,365 2.294,366 3.529,367 2.581,368 5.201,369 3.178,370 2.209,371 2.809,372 0.4,373 6.421,374 2.141,375 3.344,376 2.412,377 5.042,378 2.972,379 2.026,380 2.587,382 5.918,383 1.904,384 3.011,385 2.285,386 4.554,387 2.668,388 1.738,389 2.162,391 4.621,392 1.613,393 2.862,394 2.073,395 4.385,396 2.461,397 1.503,398 2.001,400 4.021,401 1.436,402 2.83,403 1.619,404 4.315,405 2.372,406 1.412,407 1.887,409 3.998,410 1.344,411 2.654,412 1.424,413 3.622,414 2.127,415 1.179,416 1.726,417 2.668,418 1.115,419 2.199,420 1.256,421 3.491,422 1.952,423 1.048,424 1.174,425 2.591,426 0.946,427 2.041,428 1.209,429 3.436,430 1.949,431 1,432 1,433 2.136,434 0.935,435 2,436 1.122,437 3.247,438 1.677,439 0.73,440 0.928,441 1.821,442 0.689,443 1.703,444 0.841,445 2.947,446 1.465,447 0.558,448 0.618,449 0.902,450 0.499,451 16.167,452 0.475,453 1.017,454 0.03,455 45.25,456 1.331,457 22.5,458 0.662,459 22.75,460 0.669,461 30.465,462 0.896,463 37.833,464 0.601,465 38.417,466 1.13,467 8.836,468 0.26,469 7.405,470 0.218,471 0.155,472 0.052,473 0.297,478 0.754,479 1.506,480 0.848,481 1.267,482 0.769,483 1.023,484 1.016,485 1,486 0.988,487 0.945,488 0.667,489 0.845,490 1.141,491 1.155,492 1.048,493 0.999,494 0.988,495 1.03,496 0.777,497 1.163,498 0.89,499 1.075,500 0.852,501 1.13,502 0.58,503 1.074,504 0.848,505 0.968,506 0.539,507 0.963,508 1.022,509 1.135,510 1.147,511 1.138,512 0.952,513 1.064,514 1.154,515 1.039,516 1.084,517 1.003,518 1.364,519 0.961,520 1.238,521 0.873,522 0.958,523 0.791,524 1.283,525 0.874,526 8.5,527 0.231,528 3.778,529 2.563,530 2.058,531 1.597,532 0.954,533 0.55,534 0.403,535 0.349,536 16153,537 45568,538 2.035,539 46,540 3,541 23,543 1,544 2,549 1.763,550 1.88,551 3.594,552 0.235,558 106.038,559 1.683,560 3.769,561 4.994,562 5.306,563 5.37,564 5.37,565 2.996,566 4.558,567 5.062,568 3.766,569 2112.76,570 8.89,571 32306.3,576 376.569,577 1.611,578 4.999,579 0.23,580 0.007,581 0.071,582 0.047,583 0.04,584 0.029,585 0.018,586 0.011,587 0.01,588 0.01,589 0.472,590 0.33,591 0.75,592 0.832,593 181.808,594 0.007,595 -0.252,596 0.175,597 -0.08,598 -0.155,599 -0.003,600 0.018,601 0.139,602 0.017,603 0.094,604 0.173,605 0.117,606 -0.179,607 -0.054,608 -0.143,609 -0.025,610 -0.082,611 -0.07,612 -0.022,613 -0.118,614 -0.044,615 -0.124,616 -0.075,617 -0.139,618 0.141,619 -0.05,620 0.089,621 0.003,622 0.096,623 0.034,624 -0.102,625 -0.069,626 -0.085,627 -0.108,628 -0.08,629 -0.089,630 0.019,631 -0.054,632 -0.014,633 -0.021,634 -0.029,635 -0.008,636 -0.057,637 0.096,638 -0.009,639 0.079,640 -0.075,641 0.05,642 4.332,643 5.33,644 0.706,645 34.574,646 1.008,647 1.131,648 2.52,649 6.352,650 0.661,651 3.638,652 3.989,653 4.22,654 4.454,655 4.727,656 4.762,657 4.905,658 4.956,659 5.069,660 5.142,661 7.439,662 0.627,663 483.65,664 3.638,665 5.198,666 6.043,667 6.929,668 7.793,669 8.679,670 9.552,671 10.438,672 11.315,673 12.201,674 7.9,680 1,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 2,716 63,718 20,719 2,720 37,722 66,723 24,724 16,725 6,726 6,728 4,729 4,732 2,740 16,741 8,744 2,747 1,749 2,760 29,761 9,762 2,763 10,764 1,769 5,775 1,776 4,777 1,788 1,794 4,817 1,818 1,819 4,821 1,823 3,827 34,830 1,832 1,833 5,834 1,835 1,838 2,850 6.3,851 1,853 2,854 1,858 18.083,859 12.083,860 7.361,861 3.499,863 3.492,864 1.44,865 0.966,866 7.385,867 11.428,868 3.892,869 4.516,870 5.006,871 5.543,872 6.111,873 6.301,874 6.683,875 6.945,876 7.323,877 7.674,878 1,879 55,880 12.774,881 5.595,882 7.846,883 24.002,884 19.709,885 2.346,886 79.75,890 317.82,891 139.654,892 57.83,894 97.996,896 6.046,897 133.608,898 415.816,899 57.83,900 24.412,901 13.396,902 115.063,903 100.655,904 49.499,905 4.227,906 306.049,908 317.82,909 191.439,910 97.996,911 6.046,913 317.82,914 44.313,915 53.683,917 54.303,918 103.565,919 39.617,921 317.82,922 155.827,923 139.654,925 6.046,926 317.82,927 33.815,928 106.042,929 18.011,930 131.567,931 317.82,932 155.827,933 139.654,935 0.59,936 0.337,937 0.174,938 0.103,939 25,940 12,941 0.106,942 7,944 1,945 4.334,946 320.558,948 24,949 166.974,953 1,954 24.424,955 10.28,956 5.876,958 155.827,959 14.394,960 8.962,964 5.397,966 60.694,967 613.301,968 48,971 -3.415,973 24.661,980 63.498,981 71.232,983 0.282,984 0.631,985 0.836,986 0.888,987 0.898,988 0.898,989 5.15,990 1.738,991 6.066,992 5.918,993 4.673,994 5.204,995 3.148,996 6.905,997 4.536,998 6.385,999 1.503,1000 7.652,1001 4.621,1002 4.443,1003 5.263,1004 0.57,1005 8.007,1006 4.185,1007 7.729,1008 1.412,1009 9.345,1010 4.021,1011 6.34,1012 7.478,1013 5.045,1014 11.026,1015 6.048,1016 9.111,1017 1.179,1018 11.103,1019 3.998,1020 6.889,1021 8.321,1022 0.479,1023 12.917,1024 6.453,1025 10.528,1026 1.048,1027 12.902,1028 2.668,1029 8.315,1030 10.09,1031 7.186,1032 15.522,1033 7.839,1034 11.968,1035 1,1036 14.731,1037 2.591,1038 9.203,1039 11.281,1040 0.346,1041 17.729,1042 8.583,1043 13.427,1044 0.73,1045 16.581,1046 2.136,1047 10.457,1048 12.888,1049 9.348,1050 20.208,1051 9.777,1052 3.338,1053 0.558,1054 18.449,1055 1.821,1056 11.498,1057 14.245,1058 0.237,1059 22.546,1060 10.685,1061 3.093,1062 11.744,1063 20.329,1064 0.902,1065 12.69,1066 15.792,1067 11.511,1068 24.989,1069 11.799,1070 2.855,1071 10.37,1072 22.221,1073 4.676,1074 13.803,1075 17.232,1076 0.158,1077 27.384,1078 12.786,1079 2.678,1080 9.182,1081 24.122,1082 3.989,1083 14.976,1084 18.759,1085 13.675,1086 29.821,1087 13.868,1088 2.429,1089 8.045,1090 26.03,1091 3.737,1092 16.122,1093 20.242,1094 0.104,1095 32.243,1096 14.895,1097 2.209,1098 7.279,1099 27.945,1100 3.609,1101 17.294,1102 21.765,1103 15.838,1104 34.682,1105 15.966,1106 2.026,1107 6.421,1108 29.866,1109 2.943,1110 18.457,1111 23.272,1112 0.068,1113 37.118,1114 17.014,1115 15550,1116 26304,1117 24.156,1118 41.631,1119 55.574,1120 58.215,1121 56.86,1122 55.678,1123 55.589,1124 71.692,1125 13.149,1126 163.431,1127 51.859,1128 5.814,1129 7.181,1130 6.927,1131 5.316,1132 5.338,1133 7.676,1134 5.9,1135 18.858,1136 4.955,1137 19.139,1138 1.502,1139 1.573,1140 1.537,1141 1.505,1142 1.502,1143 1.938,1144 0.355,1145 4.417,1146 1.402,1147 4.102,1148 4.1,1149 4.735,1150 4.098,1151 7.716,1152 4.009,1153 3.979,1154 4.004,1155 3.95,1156 3.902,1157 6.999,1158 3.899,1159 3.814,1160 3.849,1161 3.83,1162 3.684,1163 6.457,1164 3.669,1165 3.778,1166 3.811,1167 3.729,1168 3.609,1169 5.019,1170 3.601,1171 3.578,1172 3.599,1173 3.518,1174 3.433,1175 4.712,1176 3.422,1177 3.358,1178 3.422,1179 3.227,1180 3.177,1181 4.692,1182 3.175,1183 3.252,1184 3.342,1185 3.088,1186 3.028,1187 4.56,1188 3.03,1189 3.111,1190 3.206,1191 2.932,1192 2.941,1193 4.126,1194 2.91,1195 0.13,1196 0.14,1197 0.193,1198 0.114,1199 0.09,1200 4.814,1201 0.126,1202 5.181,1203 0.08,1204 7.125,1205 0.317,1206 4.213,1207 0.08,1208 3.338,1209 4.676,1210 2.95,1211 11.744,1212 2.955,1213 1.989,1214 1.996,1215 2.055,1216 2.088,1217 1.277,1218 2.102,1219 1.946,1220 1.92,1221 2.016,1222 2.047,1223 1.207,1224 2.052,1225 1.728,1226 1.687,1227 1.859,1228 1.92,1229 1.141,1230 1.916,1231 1.685,1232 1.653,1233 1.804,1234 1.876,1235 0.861,1236 1.893,1237 1.501,1238 1.484,1239 1.616,1240 1.658,1241 0.825,1242 1.696,1243 1.331,1244 1.272,1245 1.587,1246 1.566,1247 0.808,1248 1.58,1249 1.236,1250 1.141,1251 1.568,1252 1.501,1253 0.734,1254 1.533,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.603,1260 1.429,1261 4.317,1263 5.659,1265 7.192,1267 8.806,1269 10.461,1271 5.095,1276 9.502,1277 2.533,1278 3.169,1279 5.425,1282 4.027,1289 39.475,1290 106.038,1291 237.452,1292 314.652,1293 334.304,1294 338.304,1295 338.304,1296 70.294,1297 7.936,1298 107.89,1299 116.27,1300 24,1301 12.734,1302 4.392,1303 3.585,1304 56.778,1305 154,1306 150,1307 0.179,1308 246.154,1309 426.53,1310 592.375,1311 32775,1313 24.294,1314 0.715,1315 0.598,1316 24.544,1317 20.34,1318 16.241,1319 0.439,1320 0.347,1321 10.936,1322 14.732,1323 10.408,1324 8.634,1325 17.135,1326 12.856,1327 15.41,1328 0.291,1329 0.194,1330 16.797,1331 10.304,1332 12.235,1333 0.183,1334 0.102,1335 12.966,1336 6.846,1337 9.771,1338 0.115,1339 0.053,1340 10.284,1341 4.513,1342 8.374,1343 0.075,1344 0.029,1345 8.972,1346 3.291,1347 0.282,1348 111.561,1349 0.203,1350 31.298,1351 0.491,1352 180,1353 551.13,1354 232.157,1355 546.994,1356 739.16,1357 508,1358 210,1359 512.397,1360 267.586,1361 552.479,1362 798.92,1363 514,1364 7.959}
{0 CHEMBL1762547,1 1.519,2 12.73,3 4.348,4 18.903,5 148.462,6 6.914,7 0.439,8 4.387,9 4.516,10 3.896,11 3.85,12 5.396,13 3.835,14 4.961,15 5.157,16 4.231,17 4.238,18 5.917,19 4.201,20 5.185,21 5.41,22 4.306,23 4.432,24 6.075,25 4.358,26 5.246,27 5.473,28 4.309,29 4.518,30 6.128,31 4.407,32 5.358,33 5.609,34 4.371,35 4.561,36 6.218,37 4.455,38 5.38,39 5.623,40 4.379,41 4.543,42 6.27,43 4.444,44 5.415,45 5.681,46 4.318,47 4.495,48 6.31,49 4.385,50 5.373,51 5.648,52 4.215,53 4.428,54 6.211,55 4.313,56 0.04,57 1.098,58 16.902,59 6.356,60 10.217,61 9.074,62 0.455,63 1.743,64 32.553,65 10.152,66 36.25,67 14.864,68 0.56,69 2.126,70 40.998,71 12.687,72 41.495,73 19.4,74 0.36,75 2.277,76 42.506,77 15.811,78 41.175,79 23.19,80 0.408,81 2.448,82 48.59,83 16.208,84 48.796,85 24.937,86 0.542,87 2.502,88 50.071,89 15.513,90 52.44,91 23.951,92 0.824,93 2.438,94 53.301,95 15.167,96 74.817,97 24.214,98 0.651,99 2.265,100 51.383,101 15.026,102 62.591,103 23.399,104 14,105 56,106 0.236,107 0.534,108 0.714,109 0.767,110 0.777,111 0.777,112 3.642,113 0.953,114 -3.9,115 -3.85,116 -3.66,118 38.4,119 2,124 10,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 2,171 10,173 2,175 3,178 8,181 2,182 3,186 2,188 4,191 2,192 10,195 3,197 3,199 6,204 7,206 1,208 1,211 6,214 4,215 8,220 4,223 4,227 2,228 5,231 3,233 5,239 2,240 4,245 1,247 7,251 4,255 1,256 1,260 6,264 2594,265 25.687,266 25.687,267 25.687,268 25.687,269 25.687,270 23.589,271 46.966,272 15.356,273 26.57,274 20.179,275 20.179,276 20.179,277 20.179,278 20.179,279 16.874,280 81.62,281 7.186,282 21.555,283 4.671,284 2.76,285 1.605,286 1.264,287 1.199,288 1.199,289 4.351,294 1,295 1027,296 3.317,300 624.234,307 1.835,308 27.715,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 80,320 471,321 4.403,322 3.35,323 6.669,324 4.069,325 3.12,326 3.998,327 0.86,328 10.729,329 2.971,330 4.318,331 3.242,332 6.311,333 3.978,334 3.024,335 3.92,336 0.86,337 9.701,338 2.886,339 4.053,340 3.013,341 6.016,342 3.622,343 2.684,344 3.653,345 0.8,346 8.629,347 2.527,348 3.795,349 2.849,350 5.791,351 3.608,352 2.678,353 2.972,354 0.8,355 8.051,356 2.478,357 3.67,358 2.697,359 5.49,360 3.373,361 2.428,362 2.952,363 0.8,364 7.28,365 2.287,366 3.5,367 2.47,368 5.197,369 3.168,370 2.2,371 2.777,372 0.765,373 6.392,374 2.13,375 3.321,376 2.35,377 5.027,378 2.985,379 2.038,380 2.548,381 0.4,382 5.889,383 1.917,384 2.971,385 2.25,386 4.509,387 2.698,388 1.765,389 2.063,391 4.566,392 1.643,393 2.872,394 2.098,395 4.405,396 2.604,397 1.697,398 1.982,400 4.102,401 1.535,402 2.838,403 1.67,404 4.283,405 2.461,406 1.499,407 1.879,409 4.065,410 1.439,411 2.656,412 1.496,413 3.779,414 2.146,415 1.196,416 1.729,417 2.75,418 1.134,419 2.273,420 1.288,421 3.511,422 2.021,423 1.135,424 1.228,425 2.682,426 0.996,427 2.238,428 1.256,429 3.472,430 1.952,431 1,432 1.222,433 2.509,434 0.949,435 2.166,436 1.256,437 3.472,438 1.952,439 1,440 1.132,441 2.277,442 0.946,443 2,444 1.228,445 3.247,446 1.952,447 1,448 1,449 2.136,450 0.946,451 17.4,452 0.47,453 0.704,454 0.019,455 45.5,456 1.23,457 20,458 0.541,459 25.5,460 0.689,461 36.913,462 0.998,463 41.4,464 0.567,465 37.435,466 1.012,467 9.001,468 0.243,469 9.139,470 0.247,471 0.077,473 0.299,478 0.965,479 1.605,480 0.858,481 1.269,482 0.948,483 1.079,484 1.367,485 1.08,486 0.994,487 0.911,488 0.993,489 0.9,490 1.116,491 1.042,492 1.042,493 0.902,494 0.775,495 0.941,496 0.568,497 1.159,498 0.984,499 1.19,500 0.735,501 1.155,502 0.682,503 1.138,504 0.904,505 1.036,506 0.701,507 0.998,508 0.94,509 1.166,510 1.064,511 1.103,512 0.826,513 1.09,514 0.965,515 1.033,516 1.026,517 0.953,518 1.126,519 0.978,520 1.109,521 0.936,522 0.993,523 0.898,524 1.211,525 0.914,526 6.5,527 0.243,528 3.333,529 2.25,530 1.791,531 1.437,532 0.871,533 0.363,534 0.267,535 0.317,536 21027,537 49108,538 2.133,539 49.3,540 3,541 27,543 1,544 2,546 3,549 1.785,550 2.037,551 3.64,552 0.162,558 110.869,559 1.519,560 3.43,561 4.585,562 4.926,563 4.991,564 4.991,565 3.022,566 4.453,567 5.184,568 3.813,569 2539.52,570 9.145,571 41298.2,576 451.857,577 1.241,578 5.159,579 0.159,580 0.006,581 0.06,582 0.038,583 0.03,584 0.023,585 0.014,586 0.006,587 0.005,588 0.007,589 0.348,590 0.33,591 0.75,592 0.662,593 202.75,594 -0.036,595 -0.33,596 0.075,597 -0.131,598 -0.072,599 -0.031,600 -0.112,601 0.066,602 0.011,603 0.092,604 -0.033,605 0.066,606 -0.117,607 0.072,608 -0.06,609 0.092,610 -0.042,611 0.036,612 0.064,613 -0.069,614 -0.056,615 -0.129,616 0.011,617 -0.119,618 0.013,619 -0.089,620 0.046,621 -0.024,622 0.016,623 0.012,624 -0.046,625 -0.089,626 -0.088,627 -0.127,628 -0.036,629 -0.116,630 0.031,631 -0.012,632 -0.026,633 -0.02,634 0.004,635 -0.027,636 -0.087,637 0.04,638 0.011,639 0.038,640 -0.105,641 0.042,642 1.494,643 3.644,644 0.811,645 39.997,646 0.998,647 1.135,648 2.666,649 7.109,650 0.641,651 3.738,652 4.043,653 4.331,654 4.605,655 4.868,656 4.913,657 5.069,658 5.198,659 5.313,660 5.416,661 7.75,662 0.605,663 504.7,664 3.738,665 5.273,666 6.125,667 6.999,668 7.867,669 8.747,670 9.621,671 10.504,672 11.381,673 12.266,674 8.2,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,716 73,718 18,719 2,720 41,722 77,723 28,724 16,725 6,726 6,728 5,729 5,732 3,740 16,741 12,760 36,761 9,762 2,763 9,769 6,775 1,776 3,777 1,788 1,794 5,817 1,818 2,819 5,823 2,827 37,832 1,833 10,834 1,835 2,838 3,850 4.1,851 1,854 2,858 18.167,859 13.45,860 8.306,861 4.551,863 3.37,864 1.408,865 0.967,866 8.538,867 11.638,868 3.932,869 4.472,870 5.012,871 5.568,872 6.111,873 6.313,874 6.666,875 7.034,876 7.366,877 7.718,878 1,879 60,880 13.696,881 5.699,882 7.55,883 26.819,884 21.936,885 2.05,886 75.833,890 400.217,891 143.555,892 60.955,894 64.683,897 143.555,898 464.901,899 60.955,900 17.65,901 28.898,902 109.017,903 67.342,904 53.829,905 4.227,906 388.446,908 400.217,909 204.51,910 64.683,913 364.904,914 35.313,915 64.683,917 78.63,918 92.308,919 33.571,921 400.217,922 125.638,923 143.555,926 400.217,927 50.523,928 102.405,929 18.011,930 98.254,931 400.217,932 125.638,933 143.555,935 0.57,936 0.341,937 0.193,938 0.11,939 26,940 11,941 0.104,942 8,944 1,945 4.667,946 366.55,948 30,949 165.14,954 25.89,955 12.202,956 6.224,958 125.638,959 16.302,960 9.4,964 7.652,966 60.694,967 669.41,968 50,980 72.847,981 82.846,983 0.245,984 0.554,985 0.741,986 0.796,987 0.806,988 0.806,989 5.173,990 1.765,991 6.089,992 5.889,993 4.727,994 5.159,995 2.12,996 6.884,997 4.608,998 6.336,999 1.697,1000 7.632,1001 4.566,1002 4.205,1003 4.844,1004 0.766,1005 7.735,1006 4.042,1007 7.621,1008 1.499,1009 9.275,1010 4.102,1011 6.301,1012 7.256,1013 1.669,1014 10.846,1015 6.075,1016 8.939,1017 1.196,1018 10.978,1019 4.065,1020 6.621,1021 7.754,1022 0.653,1023 12.536,1024 6.351,1025 10.291,1026 1.135,1027 12.721,1028 2.75,1029 8.148,1030 9.642,1031 1.345,1032 15.145,1033 7.821,1034 11.665,1035 1,1036 14.49,1037 2.682,1038 8.87,1039 10.527,1040 0.482,1041 17.191,1042 8.497,1043 13.056,1044 1,1045 16.28,1046 2.509,1047 10.152,1048 12.177,1049 1.078,1050 19.623,1051 9.729,1052 3.12,1053 1,1054 18.083,1055 2.277,1056 11.073,1057 13.269,1058 0.337,1059 21.83,1060 10.603,1061 3.024,1062 10.729,1063 19.899,1064 2.136,1065 12.251,1066 14.796,1067 0.852,1068 24.2,1069 11.733,1070 2.684,1071 9.701,1072 21.723,1073 3.998,1074 13.27,1075 16.004,1076 0.229,1077 26.482,1078 12.704,1079 2.678,1080 8.629,1081 23.556,1082 3.92,1083 14.404,1084 17.463,1085 0.663,1086 28.833,1087 13.793,1088 2.428,1089 8.051,1090 25.395,1091 3.653,1092 15.472,1093 18.738,1094 0.153,1095 31.151,1096 14.813,1097 2.2,1098 7.28,1099 27.239,1100 2.972,1101 16.591,1102 20.16,1103 0.509,1104 33.499,1105 15.887,1106 2.038,1107 6.392,1108 29.088,1109 2.952,1110 17.683,1111 21.474,1112 0.1,1113 35.836,1114 16.932,1115 19735,1116 30299,1117 28.027,1118 46.819,1119 60.339,1120 61.31,1121 62.135,1122 60.305,1123 60.299,1124 73.636,1125 10.569,1126 169.998,1127 56.612,1128 5.403,1129 5.35,1130 6.471,1131 5.172,1132 5.12,1133 6.998,1134 1.72,1135 17.842,1136 4.971,1137 14.536,1138 1.472,1139 1.495,1140 1.515,1141 1.471,1142 1.471,1143 1.796,1144 0.258,1145 4.146,1146 1.381,1147 4.037,1148 4.081,1149 3.986,1150 3.927,1151 6.457,1152 3.934,1153 3.955,1154 3.991,1155 3.901,1156 3.868,1157 5.021,1158 3.872,1159 3.796,1160 3.848,1161 3.746,1162 3.631,1163 4.757,1164 3.655,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.693,1170 3.538,1171 3.623,1172 3.669,1173 3.507,1174 3.439,1175 4.613,1176 3.447,1177 3.462,1178 3.544,1179 3.304,1180 3.274,1181 4.549,1182 3.266,1183 3.324,1184 3.386,1185 3.154,1186 3.155,1187 4.152,1188 3.144,1189 3.111,1190 3.206,1191 2.979,1192 2.941,1193 3.997,1194 2.91,1195 0.107,1196 0.082,1197 0.163,1198 0.099,1199 0.076,1200 4.403,1201 0.098,1202 3.35,1203 0.021,1204 6.669,1205 0.262,1206 4.069,1207 0.072,1208 3.12,1209 3.998,1210 0.86,1211 10.729,1212 2.971,1213 1.955,1214 1.925,1215 2.059,1216 2.092,1217 1.27,1218 2.081,1219 1.934,1220 1.901,1221 2.041,1222 2.053,1223 1.222,1224 2.052,1225 1.73,1226 1.68,1227 1.905,1228 1.933,1229 1.19,1230 1.927,1231 1.683,1232 1.624,1233 1.862,1234 1.918,1235 1.004,1236 1.903,1237 1.577,1238 1.527,1239 1.8,1240 1.777,1241 0.987,1242 1.785,1243 1.46,1244 1.379,1245 1.728,1246 1.681,1247 0.825,1248 1.707,1249 1.317,1250 1.256,1251 1.615,1252 1.545,1253 0.825,1254 1.568,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.755,1260 1.429,1261 4.419,1263 5.727,1265 7.242,1267 8.846,1269 10.495,1271 4.171,1276 9.644,1277 7.168,1278 3.466,1279 11.153,1282 6.877,1289 44.175,1290 110.869,1291 250.385,1292 334.722,1293 359.593,1294 364.347,1295 364.347,1296 54.16,1297 8.267,1298 86.22,1299 86.22,1300 30,1301 12.8,1302 4.248,1303 3.322,1304 56.521,1305 174,1306 169,1307 0.156,1308 268.797,1309 467.07,1310 647.625,1311 48449,1313 25.614,1314 0.692,1315 0.586,1316 25.614,1317 21.69,1318 18.14,1319 0.442,1320 0.318,1321 12.797,1322 17.27,1323 12.495,1324 10.284,1325 18.14,1326 13.028,1327 15.718,1328 0.281,1329 0.166,1330 15.718,1331 9.324,1332 13.572,1333 0.181,1334 0.092,1335 13.572,1336 6.892,1337 11.515,1338 0.116,1339 0.049,1340 11.515,1341 4.864,1342 9.728,1343 0.075,1344 0.026,1345 9.728,1346 3.416,1347 0.245,1348 114.503,1349 0.189,1350 33.492,1351 0.429,1352 194,1353 532.179,1354 214.823,1355 504.072,1356 701.16,1357 480,1358 228,1359 516.478,1360 249.52,1361 520.279,1362 766.94,1363 491,1364 7.854}
{0 CHEMBL1762548,1 1.504,2 12.737,3 4.725,4 22.328,5 152.88,6 6.825,7 0.429,8 4.422,9 4.553,10 3.92,11 3.887,12 5.424,13 3.867,14 5,15 5.198,16 4.264,17 4.278,18 5.946,19 4.238,20 5.234,21 5.46,22 4.341,23 4.481,24 6.12,25 4.404,26 5.317,27 5.552,28 4.366,29 4.579,30 6.182,31 4.466,32 5.414,33 5.659,34 4.442,35 4.639,36 6.286,37 4.533,38 5.468,39 5.708,40 4.447,41 4.642,42 6.354,43 4.533,44 5.524,45 5.8,46 4.365,47 4.578,48 6.402,49 4.456,50 5.45,51 5.732,52 4.253,53 4.485,54 6.286,55 4.363,56 0.049,57 1.136,58 17.807,59 6.683,60 11.201,61 9.601,62 0.456,63 1.81,64 34.074,65 10.687,66 37.482,67 15.772,68 0.589,69 2.235,70 43.293,71 13.31,72 44.1,73 20.516,74 0.387,75 2.417,76 46.002,77 17.071,78 44.419,79 25.174,80 0.434,81 2.62,82 51.291,83 17.248,84 53.482,85 26.504,86 0.538,87 2.738,88 54.567,89 17.473,90 57.551,91 26.887,92 0.897,93 2.673,94 59.678,95 16.838,96 82.918,97 27.177,98 0.735,99 2.393,100 55.797,101 16.273,102 72.149,103 25.343,104 21,105 58,106 0.232,107 0.534,108 0.72,109 0.755,110 0.765,111 0.765,112 3.668,113 0.958,114 -4.09,115 -4.04,116 -3.82,118 38.2,119 3,124 9,126 1,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 2,171 11,173 2,175 3,178 9,181 2,182 3,186 2,188 4,191 2,192 11,195 3,197 3,199 9,204 7,206 1,208 1,211 9,214 4,215 9,220 5,223 5,227 2,228 5,231 3,233 6,239 2,240 4,245 1,247 9,251 4,255 1,256 1,260 6,264 2736,265 26.024,266 26.024,267 26.024,268 26.024,269 26.024,270 23.926,271 48.547,272 15.531,273 26.882,274 20.732,275 20.732,276 20.732,277 20.732,278 20.732,279 17.434,280 85.887,281 7.349,282 22.108,283 4.744,284 2.793,285 1.588,286 1.356,287 1.293,288 1.293,289 4.374,294 1,295 1052,296 3.606,300 645.17,307 1.792,308 28.575,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 82,320 484,321 4.436,322 3.425,323 6.839,324 4.131,325 3.186,326 4.009,327 0.86,328 11.294,329 3.019,330 4.319,331 3.242,332 6.311,333 3.978,334 3.025,335 3.921,336 0.86,337 9.702,338 2.886,339 4.057,340 3.013,341 6.016,342 3.634,343 2.684,344 3.655,345 0.8,346 8.629,347 2.556,348 3.795,349 2.855,350 5.83,351 3.608,352 2.682,353 2.987,354 0.8,355 8.089,356 2.478,357 3.714,358 2.729,359 5.537,360 3.425,361 2.481,362 2.972,363 0.8,364 7.412,365 2.327,366 3.502,367 2.471,368 5.2,369 3.171,370 2.211,371 2.777,372 0.765,373 6.414,374 2.13,375 3.37,376 2.382,377 5.105,378 3.072,379 2.102,380 2.588,381 0.4,382 6.038,383 2.023,384 3.036,385 2.25,386 4.725,387 2.781,388 1.84,389 2.149,391 4.879,392 1.726,393 2.92,394 2.162,395 4.454,396 2.604,397 1.697,398 1.994,400 4.429,401 1.555,402 2.838,403 1.83,404 4.283,405 2.599,406 1.659,407 1.879,409 4.065,410 1.535,411 2.736,412 1.533,413 4.205,414 2.365,415 1.38,416 1.806,417 3.607,418 1.357,419 2.643,420 1.473,421 3.519,422 2.117,423 1.184,424 1.706,425 2.712,426 1.103,427 2.238,428 1.288,429 3.503,430 2.021,431 1.133,432 1.225,433 2.605,434 0.995,435 2.166,436 1.256,437 3.472,438 1.952,439 1,440 1.132,441 2.509,442 0.946,443 2,444 1.256,445 3.25,446 1.952,447 1,448 1,449 2.136,450 0.946,451 17.9,452 0.471,453 0.832,454 0.022,455 46,456 1.211,457 20,458 0.526,459 26,460 0.684,461 40.108,462 1.055,463 42.7,464 0.562,465 38.393,466 1.01,467 8.975,468 0.236,469 9.538,470 0.251,471 0.102,473 0.318,478 0.963,479 1.602,480 0.872,481 1.276,482 0.968,483 1.091,484 1.345,485 1.104,486 0.975,487 0.922,488 0.968,489 0.901,490 1.147,491 1.043,492 1.071,493 0.911,494 0.795,495 0.957,496 0.54,497 1.125,498 0.93,499 1.137,500 0.689,501 1.097,502 0.71,503 1.138,504 0.937,505 1.044,506 0.743,507 1.015,508 0.887,509 1.237,510 1.085,511 1.179,512 0.81,513 1.154,514 0.956,515 1.009,516 1.027,517 0.945,518 1.084,519 0.972,520 1.176,521 0.887,522 0.976,523 0.847,524 1.401,525 0.871,526 7,527 0.322,528 3.333,529 2.625,530 2.031,531 1.604,532 0.992,533 0.425,534 0.267,535 0.336,536 22140,537 50805,538 2.113,539 50,540 3,541 26,543 1,544 2,546 6,549 1.792,550 2,551 3.631,552 0.149,558 114.275,559 1.504,560 3.455,561 4.66,562 4.892,563 4.955,564 4.955,565 3.009,566 4.386,567 5.223,568 3.81,569 2678.69,570 9.226,571 44174.4,576 474.842,577 1.324,578 5.189,579 0.167,580 0.007,581 0.057,582 0.042,583 0.032,584 0.024,585 0.015,586 0.007,587 0.005,588 0.007,589 0.364,590 0.33,591 0.75,592 0.704,593 209.454,594 -0.03,595 -0.321,596 0.075,597 -0.126,598 -0.084,599 -0.029,600 -0.09,601 0.044,602 0.036,603 0.089,604 -0.008,605 0.075,606 -0.13,607 0.084,608 -0.082,609 0.083,610 -0.06,611 0.02,612 0.082,613 -0.047,614 0.003,615 -0.076,616 0.046,617 -0.058,618 -0.007,619 -0.064,620 0.014,621 -0.023,622 -0.009,623 -0.002,624 -0.032,625 -0.153,626 -0.114,627 -0.183,628 -0.04,629 -0.165,630 0.028,631 0.002,632 -0.025,633 -0.021,634 0.018,635 -0.025,636 -0.094,637 0.07,638 0.034,639 0.082,640 -0.122,641 0.08,642 1.499,643 3.71,644 0.789,645 40.632,646 0.996,647 1.135,648 2.862,649 8.19,650 0.639,651 3.761,652 4.078,653 4.357,654 4.644,655 4.905,656 4.956,657 5.106,658 5.242,659 5.338,660 5.442,661 7.77,662 0.601,663 518.73,664 3.761,665 5.303,666 6.155,667 7.034,668 7.904,669 8.79,670 9.667,671 10.555,672 11.435,673 12.325,674 7.9,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,716 76,718 18,719 2,720 42,722 80,723 29,724 16,725 6,726 6,728 5,729 5,732 4,738 1,740 16,741 13,760 38,761 9,762 2,763 9,769 6,775 1,776 3,777 1,788 1,794 5,817 1,818 2,819 5,823 3,827 38,832 1,833 9,834 1,835 2,837 1,838 3,850 3.9,851 1,854 2,858 19,859 14.283,860 8.417,861 4.685,863 3.348,864 1.403,865 0.959,866 8.769,867 11.652,868 3.951,869 4.494,870 5.026,871 5.591,872 6.134,873 6.346,874 6.697,875 7.075,876 7.383,877 7.735,878 1,879 62,880 14.074,881 5.863,882 7.544,883 27.575,884 22.618,885 2.044,886 77.667,890 423.76,891 150.274,892 60.955,894 64.683,897 150.274,898 488.443,899 60.955,900 26.476,901 26.792,902 109.017,903 67.342,904 53.829,905 4.227,906 411.989,908 423.76,909 211.229,910 64.683,913 353.133,914 70.627,915 64.683,917 85.35,918 92.308,919 33.571,921 423.76,922 125.638,923 150.274,926 423.76,927 48.418,928 111.23,929 18.011,930 98.254,931 423.76,932 125.638,933 150.274,935 0.575,936 0.338,937 0.192,938 0.111,939 27,940 12,941 0.1,942 8,944 1,945 4.689,946 382.847,948 30,949 173.421,954 26.851,955 12.411,956 6.471,958 125.638,959 16.348,960 9.475,964 7.635,966 60.694,967 699.672,968 51,980 75.73,981 86.261,983 0.241,984 0.553,985 0.746,986 0.783,987 0.793,988 0.793,989 5.201,990 1.84,991 6.129,992 6.038,993 4.762,994 5.182,995 2.12,996 6.934,997 4.645,998 6.369,999 1.697,1000 7.679,1001 4.879,1002 4.29,1003 4.89,1004 0.766,1005 7.816,1006 4.133,1007 7.656,1008 1.659,1009 9.33,1010 4.429,1011 6.344,1012 7.273,1013 1.669,1014 10.935,1015 6.12,1016 8.975,1017 1.38,1018 11.043,1019 4.065,1020 6.698,1021 7.779,1022 0.653,1023 12.671,1024 6.429,1025 10.328,1026 1.184,1027 12.795,1028 3.607,1029 8.206,1030 9.656,1031 1.345,1032 15.301,1033 7.878,1034 11.703,1035 1.133,1036 14.576,1037 2.712,1038 8.955,1039 10.546,1040 0.482,1041 17.407,1042 8.577,1043 13.096,1044 1,1045 16.378,1046 2.605,1047 10.233,1048 12.191,1049 1.078,1050 19.871,1051 9.802,1052 3.186,1053 1,1054 18.196,1055 2.509,1056 11.177,1057 13.287,1058 0.337,1059 22.142,1060 10.694,1061 3.025,1062 11.294,1063 20.028,1064 2.136,1065 12.358,1066 14.812,1067 0.852,1068 24.555,1069 11.825,1070 2.684,1071 9.702,1072 21.87,1073 4.009,1074 13.398,1075 16.023,1076 0.229,1077 26.901,1078 12.813,1079 2.682,1080 8.629,1081 23.722,1082 3.921,1083 14.543,1084 17.482,1085 0.663,1086 29.303,1087 13.908,1088 2.481,1089 8.089,1090 25.581,1091 3.655,1092 15.63,1093 18.76,1094 0.153,1095 31.682,1096 14.942,1097 2.211,1098 7.412,1099 27.447,1100 2.987,1101 16.763,1102 20.182,1103 0.509,1104 34.086,1105 16.025,1106 2.102,1107 6.414,1108 29.319,1109 2.972,1110 17.874,1111 21.499,1112 0.1,1113 36.483,1114 17.084,1115 20847,1116 31726,1117 28.433,1118 48.58,1119 62.559,1120 63.365,1121 64.123,1122 62.342,1123 62.369,1124 75.707,1125 10.569,1126 176.944,1127 58.654,1128 5.436,1129 5.425,1130 6.641,1131 5.235,1132 5.186,1133 7.009,1134 1.72,1135 18.424,1136 5.019,1137 16.85,1138 1.489,1139 1.509,1140 1.527,1141 1.484,1142 1.485,1143 1.803,1144 0.252,1145 4.213,1146 1.397,1147 4.041,1148 4.085,1149 3.99,1150 3.931,1151 6.457,1152 3.938,1153 3.958,1154 3.994,1155 3.904,1156 3.869,1157 5.021,1158 3.873,1159 3.798,1160 3.849,1161 3.747,1162 3.639,1163 4.757,1164 3.66,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.694,1170 3.538,1171 3.632,1172 3.684,1173 3.511,1174 3.447,1175 4.613,1176 3.454,1177 3.555,1178 3.621,1179 3.405,1180 3.393,1181 4.549,1182 3.386,1183 3.33,1184 3.389,1185 3.172,1186 3.162,1187 4.23,1188 3.154,1189 3.111,1190 3.206,1191 2.99,1192 2.941,1193 3.998,1194 2.91,1195 0.106,1196 0.082,1197 0.163,1198 0.098,1199 0.076,1200 4.436,1201 0.095,1202 3.425,1203 0.02,1204 6.839,1205 0.269,1206 4.131,1207 0.072,1208 3.186,1209 4.009,1210 0.86,1211 11.294,1212 3.019,1213 1.959,1214 1.928,1215 2.064,1216 2.093,1217 1.271,1218 2.083,1219 1.934,1220 1.902,1221 2.042,1222 2.057,1223 1.238,1224 2.056,1225 1.739,1226 1.689,1227 1.905,1228 1.933,1229 1.19,1230 1.927,1231 1.683,1232 1.624,1233 1.902,1234 1.92,1235 1.077,1236 1.909,1237 1.592,1238 1.535,1239 1.817,1240 1.798,1241 0.992,1242 1.815,1243 1.548,1244 1.484,1245 1.748,1246 1.737,1247 0.825,1248 1.749,1249 1.319,1250 1.26,1251 1.615,1252 1.547,1253 0.825,1254 1.568,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.768,1260 1.429,1261 4.443,1263 5.759,1265 7.277,1267 8.885,1269 10.539,1271 6.359,1276 9.71,1277 6.41,1278 3.481,1279 11.17,1281 0.156,1282 6.922,1289 45.702,1290 114.275,1291 262.585,1292 354.171,1293 371.823,1294 376.578,1295 376.578,1296 58.417,1297 8.304,1298 86.22,1299 86.22,1300 30,1301 12.856,1302 4.248,1303 3.322,1304 58.819,1305 180,1306 170,1307 0.158,1308 278.389,1309 484.37,1310 671.03,1311 50170,1313 26.485,1314 0.697,1315 0.594,1316 26.485,1317 22.56,1318 18.512,1319 0.441,1320 0.319,1321 13.189,1322 17.646,1323 12.814,1324 10.584,1325 18.512,1326 13.418,1327 16.468,1328 0.284,1329 0.173,1330 16.468,1331 10.043,1332 13.753,1333 0.179,1334 0.091,1335 13.753,1336 7.031,1337 11.818,1338 0.115,1339 0.049,1340 11.818,1341 5.027,1342 9.994,1343 0.075,1344 0.027,1345 9.994,1346 3.554,1347 0.248,1348 116.702,1349 0.188,1350 34.129,1351 0.435,1352 200,1353 538.179,1354 221.156,1355 511,1356 711.24,1357 486,1358 235,1359 525.83,1360 256.687,1361 530.615,1362 781.46,1363 500,1364 7.886}
{0 CHEMBL1762549,1 1.542,2 12.821,3 3.868,4 14.962,5 154.758,6 6.945,7 0.419,8 4.442,9 4.568,10 3.952,11 3.885,12 5.459,13 3.876,14 5.019,15 5.211,16 4.271,17 4.267,18 5.977,19 4.238,20 5.223,21 5.441,22 4.347,23 4.467,24 6.12,25 4.394,26 5.307,27 5.539,28 4.363,29 4.556,30 6.176,31 4.447,32 5.414,33 5.664,34 4.462,35 4.601,36 6.285,37 4.508,38 5.435,39 5.664,40 4.509,41 4.608,42 6.358,43 4.532,44 5.509,45 5.757,46 4.468,47 4.604,48 6.442,49 4.51,50 5.507,51 5.772,52 4.345,53 4.562,54 6.375,55 4.444,56 0.034,57 1.141,58 17.849,59 6.696,60 11.331,61 9.493,62 0.558,63 1.791,64 34.853,65 10.536,66 41.448,67 15.303,68 0.644,69 2.189,70 42.551,71 13.201,72 44.227,73 20.104,74 0.379,75 2.373,76 45.4,77 16.592,78 43.049,79 24.476,80 0.507,81 2.542,82 51.724,83 16.693,84 54.006,85 25.816,86 0.579,87 2.627,88 52.842,89 16.196,90 55.576,91 24.725,92 1.028,93 2.657,94 58.511,95 16.551,96 85.924,97 26.013,98 0.843,99 2.555,100 58.71,101 17.271,102 79.767,103 26.792,104 16,105 58,106 0.238,107 0.525,108 0.705,109 0.762,110 0.786,111 0.786,112 3.693,113 0.943,114 -3.36,115 -3.34,116 -3.2,118 37.7,119 1,123 1,124 11,138 7,139 2,140 4,141 1,143 1,146 1,167 5,170 2,171 9,173 2,175 3,178 8,181 3,182 3,186 2,188 4,191 2,192 9,195 3,197 3,199 3,203 1,204 10,206 1,208 1,211 3,214 4,215 10,220 3,223 3,227 3,228 6,231 4,233 4,239 2,240 4,243 1,245 1,247 5,251 4,252 2,255 1,256 1,260 6,264 3004,265 27.101,266 27.101,267 27.101,268 27.101,269 27.101,270 25.003,271 48.433,272 16.493,273 28.146,274 21.217,275 21.217,276 21.217,277 21.217,278 21.217,279 17.912,280 82.971,281 7.792,282 22.788,283 4.725,284 2.86,285 1.688,286 1.318,287 1.162,288 1.162,289 4.401,294 1,295 1083,296 3.606,300 668.148,307 1.811,308 31.339,311 0.75,312 0.5,313 0.67,314 0.9,315 1,316 0.83,317 1,318 0.81,319 85,320 500,321 4.404,322 3.355,323 6.673,324 4.072,325 3.123,326 3.998,327 0.86,328 10.76,329 2.973,330 4.318,331 3.242,332 6.311,333 3.978,334 3.024,335 3.92,336 0.86,337 9.701,338 2.886,339 4.053,340 3.013,341 6.016,342 3.623,343 2.684,344 3.653,345 0.86,346 8.629,347 2.528,348 3.795,349 2.85,350 5.792,351 3.608,352 2.679,353 2.972,354 0.8,355 8.054,356 2.478,357 3.673,358 2.702,359 5.492,360 3.377,361 2.432,362 2.954,363 0.8,364 7.292,365 2.29,366 3.5,367 2.47,368 5.197,369 3.168,370 2.201,371 2.777,372 0.8,373 6.394,374 2.13,375 3.326,376 2.361,377 5.029,378 2.994,379 2.046,380 2.551,381 0.765,382 5.905,383 1.925,384 2.976,385 2.25,386 4.517,387 2.71,388 1.778,389 2.071,390 0.4,391 4.584,392 1.653,393 2.88,394 2.189,395 4.412,396 2.604,397 1.697,398 1.984,400 4.171,401 1.535,402 2.838,403 2.055,404 4.283,405 2.51,406 1.586,407 1.879,409 4.065,410 1.468,411 2.662,412 1.655,413 3.877,414 2.35,415 1.413,416 1.733,417 3.138,418 1.311,419 2.584,420 1.495,421 3.513,422 2.125,423 1.189,424 1.594,425 2.711,426 1.109,427 2.238,428 1.288,429 3.491,430 2.021,431 1.134,432 1.225,433 2.601,434 0.995,435 2.166,436 1.256,437 3.472,438 1.952,439 1,440 1.132,441 2.509,442 0.946,443 2.027,444 1.256,445 3.271,446 1.952,447 1,448 1,449 2.136,450 0.946,451 18.233,452 0.468,453 0.704,454 0.018,455 47,456 1.205,457 20,458 0.513,459 27,460 0.692,461 39.551,462 1.014,463 44.167,464 0.574,465 40.559,466 1.04,467 9.55,468 0.245,469 9.589,470 0.246,471 0.073,473 0.285,478 0.958,479 1.64,480 0.852,481 1.314,482 0.928,483 1.099,484 1.467,485 1.044,486 1.031,487 0.87,488 1.087,489 0.88,490 1.043,491 1.073,492 1.062,493 0.94,494 0.79,495 0.984,496 0.54,497 1.17,498 0.941,499 1.182,500 0.704,501 1.135,502 0.678,503 1.103,504 0.849,505 0.989,506 0.656,507 0.941,508 1,509 1.197,510 1.043,511 1.114,512 0.841,513 1.078,514 1.029,515 1.053,516 1.072,517 0.986,518 1.167,519 1.018,520 1.008,521 1.013,522 1.031,523 0.983,524 1.106,525 0.998,526 6.5,527 0.252,528 3.333,529 2.25,530 1.791,531 1.493,532 0.953,533 0.481,534 0.333,535 0.317,536 23741,537 57378,538 2.126,539 49.4,540 3,541 32,543 1,544 2,549 1.799,550 2.035,551 3.643,552 0.162,558 118.73,559 1.542,560 3.407,561 4.579,562 4.949,563 5.104,564 5.104,565 2.992,566 4.67,567 5.26,568 3.829,569 2837.44,570 9.306,571 48091.6,576 482.543,577 1.211,578 5.237,579 0.151,580 0.006,581 0.057,582 0.036,583 0.029,584 0.022,585 0.014,586 0.007,587 0.006,588 0.006,589 0.334,590 0.33,591 0.63,592 0.911,593 216.91,594 -0.041,595 -0.351,596 0.077,597 -0.156,598 -0.055,599 -0.041,600 -0.175,601 0.096,602 -0.018,603 0.133,604 -0.085,605 0.082,606 -0.096,607 0.058,608 -0.089,609 0.069,610 -0.058,611 0.002,612 0.068,613 -0.079,614 -0.019,615 -0.117,616 0.016,617 -0.093,618 0.04,619 -0.046,620 0.102,621 0.02,622 0.063,623 0.067,624 -0.064,625 -0.095,626 -0.067,627 -0.123,628 -0.02,629 -0.098,630 0.015,631 -0.006,632 -0.072,633 -0.039,634 -0.027,635 -0.064,636 -0.043,637 -0.026,638 -0.038,639 -0.03,640 -0.058,641 -0.03,642 1.521,643 3.723,644 0.769,645 43.719,646 1.001,647 1.136,648 2.131,649 4.541,650 0.637,651 3.784,652 4.078,653 4.357,654 4.635,655 4.913,656 4.977,657 5.136,658 5.263,659 5.38,660 5.472,661 7.938,662 0.603,663 534.73,664 3.784,665 5.313,666 6.159,667 7.029,668 7.895,669 8.774,670 9.649,671 10.532,672 11.41,673 12.294,674 7.8,680 2,682 2,684 2,690 8,691 2,695 8,697 18,709 1,711 3,716 77,718 18,719 2,720 43,722 81,723 29,724 16,725 6,726 6,728 5,729 5,732 2,740 16,741 13,760 38,761 10,762 2,763 10,769 6,775 1,776 4,777 1,788 1,794 5,817 1,818 3,819 5,823 2,827 39,832 1,833 11,834 1,835 3,838 3,850 5.2,851 1,854 3,858 19.167,859 14.117,860 8.806,861 4.551,863 3.326,864 1.399,865 0.958,866 9.633,867 11.665,868 3.97,869 4.494,870 5.026,871 5.579,872 6.128,873 6.343,874 6.701,875 7.071,876 7.41,877 7.75,878 1,879 62,880 14.435,881 5.97,882 7.573,883 28.17,884 22.839,885 2.073,886 80.833,890 423.76,891 150.205,892 60.955,894 75.683,897 150.205,898 499.443,899 60.955,900 19.708,901 33.49,902 109.017,903 78.342,904 53.829,905 4.227,906 411.989,908 423.76,909 211.16,910 75.683,913 423.76,915 75.683,917 74.397,918 103.191,919 33.571,921 423.76,922 136.638,923 150.205,926 423.76,927 55.116,928 104.462,929 18.011,930 109.254,931 423.76,932 136.638,933 150.205,935 0.564,936 0.332,937 0.187,938 0.112,939 26,940 11,941 0.123,942 10,944 1,945 4.801,946 392.805,948 30,949 182.131,954 27.775,955 13.526,956 7.056,958 136.638,959 16.188,960 9.441,964 7.411,966 60.694,967 710.602,968 52,980 77.058,981 87.471,983 0.246,984 0.544,985 0.731,986 0.79,987 0.815,988 0.815,989 5.207,990 1.778,991 6.116,992 5.905,993 4.762,994 5.182,995 2.283,996 6.903,997 4.636,998 6.361,999 1.697,1000 7.651,1001 4.584,1002 4.205,1003 4.844,1004 0.766,1005 7.735,1006 4.042,1007 7.64,1008 1.586,1009 9.288,1010 4.171,1011 6.323,1012 7.265,1013 1.856,1014 10.856,1015 6.091,1016 8.953,1017 1.413,1018 10.987,1019 4.065,1020 6.621,1021 7.754,1022 0.653,1023 12.541,1024 6.351,1025 10.301,1026 1.189,1027 12.727,1028 3.138,1029 8.161,1030 9.645,1031 1.536,1032 15.155,1033 7.831,1034 11.672,1035 1.134,1036 14.496,1037 2.711,1038 8.872,1039 10.527,1040 0.482,1041 17.201,1042 8.498,1043 13.062,1044 1,1045 16.284,1046 2.601,1047 10.161,1048 12.178,1049 1.264,1050 19.637,1051 9.735,1052 3.123,1053 1,1054 18.087,1055 2.509,1056 11.078,1057 13.269,1058 0.337,1059 21.846,1060 10.606,1061 3.024,1062 10.76,1063 19.903,1064 2.136,1065 12.259,1066 14.797,1067 1.025,1068 24.219,1069 11.738,1070 2.684,1071 9.701,1072 21.727,1073 3.998,1074 13.276,1075 16.005,1076 0.229,1077 26.503,1078 12.709,1079 2.679,1080 8.629,1081 23.56,1082 3.92,1083 14.413,1084 17.464,1085 0.819,1086 28.858,1087 13.798,1088 2.432,1089 8.054,1090 25.399,1091 3.653,1092 15.48,1093 18.739,1094 0.153,1095 31.178,1096 14.819,1097 2.201,1098 7.292,1099 27.244,1100 2.972,1101 16.6,1102 20.16,1103 0.645,1104 33.53,1105 15.893,1106 2.046,1107 6.394,1108 29.093,1109 2.954,1110 17.693,1111 21.475,1112 0.1,1113 35.87,1114 16.939,1115 22413,1116 34973,1117 29.413,1118 49.035,1119 62.948,1120 64.156,1121 64.773,1122 62.852,1123 62.89,1124 76.23,1125 12.289,1126 175.191,1127 58.763,1128 5.404,1129 5.355,1130 6.532,1131 5.175,1132 5.123,1133 6.998,1134 1.72,1135 17.873,1136 4.973,1137 15.19,1138 1.464,1139 1.492,1140 1.506,1141 1.462,1142 1.463,1143 1.773,1144 0.286,1145 4.074,1146 1.367,1147 4.038,1148 4.082,1149 3.987,1150 3.928,1151 6.457,1152 3.935,1153 3.955,1154 3.991,1155 3.902,1156 3.868,1157 5.022,1158 3.872,1159 3.796,1160 3.848,1161 3.746,1162 3.632,1163 4.757,1164 3.655,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.702,1170 3.538,1171 3.627,1172 3.672,1173 3.509,1174 3.44,1175 4.614,1176 3.448,1177 3.533,1178 3.586,1179 3.393,1180 3.303,1181 4.613,1182 3.314,1183 3.335,1184 3.392,1185 3.184,1186 3.161,1187 4.548,1188 3.154,1189 3.168,1190 3.254,1191 3.028,1192 2.941,1193 4.054,1194 2.931,1195 0.102,1196 0.078,1197 0.155,1198 0.095,1199 0.073,1200 4.404,1201 0.093,1202 3.355,1203 0.02,1204 6.673,1205 0.25,1206 4.072,1207 0.069,1208 3.123,1209 3.998,1210 0.86,1211 10.76,1212 2.973,1213 1.955,1214 1.925,1215 2.057,1216 2.092,1217 1.27,1218 2.081,1219 1.934,1220 1.901,1221 2.041,1222 2.053,1223 1.227,1224 2.052,1225 1.73,1226 1.681,1227 1.905,1228 1.933,1229 1.19,1230 1.927,1231 1.683,1232 1.624,1233 1.852,1234 1.919,1235 1.03,1236 1.903,1237 1.577,1238 1.527,1239 1.791,1240 1.785,1241 0.991,1242 1.788,1243 1.476,1244 1.417,1245 1.72,1246 1.731,1247 0.825,1248 1.73,1249 1.319,1250 1.26,1251 1.615,1252 1.55,1253 0.825,1254 1.57,1255 1.153,1256 1.064,1257 1.514,1258 1.427,1259 0.763,1260 1.457,1261 4.466,1263 5.765,1265 7.27,1267 8.867,1269 10.512,1271 3.747,1276 9.723,1277 7.458,1278 3.467,1279 16.572,1282 6.826,1289 46.416,1290 118.73,1291 262.311,1292 352.578,1293 381.059,1294 393.033,1295 393.033,1296 60.251,1297 8.339,1298 95.45,1299 95.45,1300 30,1301 12.829,1302 4.248,1303 3.322,1304 61.133,1305 188,1306 172,1307 0.156,1308 282.386,1309 493.16,1310 680.781,1311 52317,1313 27.029,1314 0.693,1315 0.585,1316 27.029,1317 22.805,1318 19.14,1319 0.445,1320 0.314,1321 13.24,1322 18.111,1323 12.93,1324 10.63,1325 19.14,1326 13.518,1327 16.452,1328 0.284,1329 0.168,1330 16.452,1331 9.724,1332 13.991,1333 0.182,1334 0.092,1335 13.991,1336 7.095,1337 11.769,1338 0.115,1339 0.049,1340 11.769,1341 4.95,1342 10.123,1343 0.075,1344 0.026,1345 10.123,1346 3.528,1347 0.245,1348 121.71,1349 0.184,1350 34.888,1351 0.43,1352 202,1353 583.915,1354 225.037,1355 546.134,1356 750.34,1357 520,1358 236,1359 539.205,1360 259.735,1361 544.917,1362 799.7,1363 511,1364 7.921}
{0 CHEMBL1762550,1 1.571,2 12.722,3 3.927,4 15.418,5 142.184,6 7.126,7 0.45,8 4.342,9 4.471,10 3.878,11 3.787,12 5.379,13 3.784,14 4.912,15 5.108,16 4.217,17 4.172,18 5.902,19 4.15,20 5.117,21 5.334,22 4.283,23 4.355,24 6.053,25 4.295,26 5.19,27 5.426,28 4.257,29 4.407,30 6.114,31 4.311,32 5.248,33 5.501,34 4.299,35 4.42,36 6.158,37 4.331,38 5.225,39 5.462,40 4.305,41 4.403,42 6.163,43 4.325,44 5.284,45 5.536,46 4.27,47 4.39,48 6.208,49 4.298,50 5.282,51 5.551,52 4.18,53 4.349,54 6.136,55 4.246,56 0.046,57 1.063,58 15.531,59 5.699,60 10.59,61 8.183,62 0.533,63 1.663,64 30.584,65 9.174,66 37.557,67 13.374,68 0.546,69 2.006,70 37.636,71 11.217,72 40.45,73 17.329,74 0.482,75 2.13,76 40.378,77 13.338,78 47.053,79 20.223,80 0.571,81 2.177,82 43.771,83 13.168,84 53.507,85 20.948,86 0.567,87 2.176,88 42.307,89 12.7,90 49.196,91 19.627,92 0.769,93 2.151,94 46.215,95 13.172,96 67.597,97 20.9,98 0.642,99 2.084,100 46.651,101 13.306,102 57.01,103 20.926,104 11,105 55,106 0.247,107 0.553,108 0.731,109 0.761,110 0.766,111 0.766,112 3.616,113 0.924,114 -4.39,115 -4.32,116 -4.08,118 37.7,119 1,123 1,124 9,138 6,139 2,140 2,141 1,143 3,146 1,167 5,170 4,171 9,173 2,175 3,178 6,181 2,182 3,186 2,188 4,191 2,192 9,195 4,197 2,199 3,203 2,204 5,206 1,208 1,211 3,214 6,215 5,220 3,223 3,227 2,228 5,231 3,233 4,239 3,240 4,245 1,247 4,251 4,255 1,256 1,260 6,264 2444,265 24.817,266 24.817,267 24.817,268 24.817,269 24.817,270 22.719,271 45.385,272 14.82,273 25.719,274 19.732,275 19.732,276 19.732,277 19.732,278 19.732,279 16.412,280 79.852,281 7.031,282 21.181,283 4.537,284 2.59,285 1.464,286 1.268,287 1.239,288 1.239,289 4.324,294 1,295 1002,296 3.162,300 603.298,307 1.88,308 28.834,311 1,312 0.67,313 1,314 1,315 1,316 1,317 1,318 0.95,319 78.5,320 458,321 4.39,322 3.319,323 6.596,324 4.046,325 3.095,326 3.992,327 0.86,328 10.37,329 2.955,330 4.318,331 3.241,332 6.311,333 3.957,334 3.023,335 3.92,336 0.86,337 9.701,338 2.825,339 4.052,340 3.013,341 6.016,342 3.618,343 2.684,344 3.652,345 0.8,346 8.629,347 2.516,348 3.795,349 2.847,350 5.778,351 3.602,352 2.677,353 2.972,354 0.8,355 8.032,356 2.462,357 3.658,358 2.686,359 5.474,360 3.359,361 2.413,362 2.941,363 0.8,364 7.212,365 2.274,366 3.499,367 2.47,368 5.196,369 3.167,370 2.198,371 2.777,372 0.765,373 6.385,374 2.13,375 3.309,376 2.341,377 5.009,378 2.964,379 2.024,380 2.536,381 0.4,382 5.835,383 1.893,384 2.965,385 2.25,386 4.489,387 2.669,388 1.755,389 2.051,391 4.543,392 1.6,393 2.862,394 2.082,395 4.377,396 2.598,397 1.697,398 1.978,400 4.065,401 1.523,402 2.838,403 1.645,404 4.283,405 2.44,406 1.474,407 1.879,409 4.012,410 1.42,411 2.655,412 1.494,413 3.622,414 2.131,415 1.19,416 1.727,417 2.721,418 1.118,419 2.238,420 1.288,421 3.51,422 2.004,423 1.134,424 1.225,425 2.646,426 0.98,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2.041,436 1.256,437 3.436,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.208,445 3.247,446 1.9,447 1,448 1,449 2.136,450 0.892,451 16.8,452 0.467,453 0.742,454 0.021,455 45.5,456 1.264,457 20,458 0.556,459 25.5,460 0.708,461 33.895,462 0.942,463 40.2,464 0.583,465 37.354,466 1.038,467 9.103,468 0.253,469 8.499,470 0.236,471 0.079,473 0.31,478 0.968,479 1.676,480 0.825,481 1.295,482 0.937,483 1.073,484 1.336,485 1.001,486 0.967,487 0.859,488 0.983,489 0.856,490 1.103,491 1.179,492 1.047,493 0.986,494 0.808,495 0.996,496 0.694,497 1.11,498 1.01,499 1.125,500 0.868,501 1.114,502 0.723,503 1.091,504 0.901,505 0.964,506 0.755,507 0.948,508 0.91,509 1.09,510 1.053,511 1.076,512 0.797,513 1.072,514 0.93,515 1.093,516 1.003,517 0.997,518 1.114,519 1.003,520 1.008,521 0.965,522 1.001,523 0.953,524 0.975,525 0.961,526 6.5,527 0.231,528 3.333,529 2.25,530 1.711,531 1.382,532 0.75,533 0.363,534 0.267,535 0.307,536 19918,537 48825,538 2.137,539 47.8,540 3,541 27,543 1,544 2,549 1.778,550 2.038,551 3.64,552 0.204,558 108.405,559 1.571,560 3.519,561 4.644,562 4.84,563 4.869,564 4.869,565 3.03,566 4.139,567 5.144,568 3.815,569 2403.19,570 9.06,571 38470.7,576 421.488,577 1.256,578 5.118,579 0.162,580 0.006,581 0.061,582 0.039,583 0.031,584 0.024,585 0.013,586 0.007,587 0.005,588 0.007,589 0.355,590 0.17,591 0.63,592 0.586,593 196.021,594 -0.055,595 -0.394,596 0.076,597 -0.163,598 -0.077,599 -0.044,600 -0.098,601 0.142,602 0.023,603 0.131,604 -0.027,605 0.094,606 -0.122,607 -0.062,608 -0.083,609 0.013,610 -0.051,611 -0.023,612 0.025,613 -0.02,614 -0.072,615 -0.109,616 -0.043,617 -0.111,618 0.04,619 -0.044,620 0.058,621 0.021,622 0.022,623 0.043,624 -0.034,625 0.008,626 -0.089,627 -0.102,628 -0.01,629 -0.103,630 0.04,631 -0.077,632 -0.015,633 -0.037,634 0.001,635 -0.036,636 -0.068,637 0.019,638 -0.008,639 -0.007,640 -0.079,641 0.005,642 1.503,643 3.567,644 0.833,645 39,646 1.003,647 1.138,648 3.16,649 9.986,650 0.642,651 3.714,652 4.025,653 4.304,654 4.564,655 4.828,656 4.868,657 5.03,658 5.153,659 5.288,660 5.389,661 7.721,662 0.611,663 491.66,664 3.714,665 5.252,666 6.103,667 6.974,668 7.84,669 8.718,670 9.59,671 10.47,672 11.345,673 12.227,674 10.1,680 2,682 2,684 3,690 7,691 3,695 8,697 18,709 1,711 3,716 69,718 18,719 1,720 40,722 73,723 26,724 15,725 3,726 3,728 5,729 5,732 2,740 15,741 11,760 33,761 10,762 2,763 10,769 7,775 1,776 3,777 1,787 1,788 1,794 5,817 1,818 2,819 5,823 2,827 36,832 1,833 9,834 1,835 2,838 3,850 4.3,851 1,854 2,858 17.667,859 12.817,860 7.972,861 4.085,863 3.394,864 1.412,865 0.968,866 7.945,867 11.624,868 3.912,869 4.46,870 4.999,871 5.545,872 6.087,873 6.28,874 6.634,875 6.991,876 7.348,877 7.699,878 1,879 58,880 13.309,881 5.558,882 7.593,883 25.872,884 21.08,885 2.093,886 75.333,890 364.904,891 130.686,892 77.74,894 64.683,897 130.686,898 429.587,899 77.74,900 17.222,901 26.792,902 99.541,903 84.127,904 48.316,905 8.883,906 353.133,908 364.904,909 208.427,910 64.683,913 364.904,915 64.683,917 67.699,918 90.371,919 50.357,921 364.904,922 142.423,923 130.686,926 364.904,927 47.56,928 92.499,929 18.011,930 115.04,931 364.904,932 142.423,933 130.686,935 0.575,936 0.34,937 0.186,938 0.107,939 26,940 11,941 0.096,942 7,944 1,945 4.626,946 351.687,948 30,949 159.362,954 24.87,955 11.5,956 5.963,958 142.423,959 13.64,960 14.219,964 6.902,966 60.694,967 638.014,968 49,980 69.181,981 78.514,983 0.257,984 0.576,985 0.76,986 0.792,987 0.797,988 0.797,989 5.156,990 1.755,991 6.071,992 5.835,993 4.71,994 5.147,995 2.12,996 6.862,997 4.578,998 6.324,999 1.697,1000 7.613,1001 4.543,1002 4.205,1003 4.844,1004 0.766,1005 7.692,1006 4.023,1007 7.61,1008 1.474,1009 9.255,1010 4.065,1011 6.282,1012 7.249,1013 1.669,1014 10.8,1015 6.032,1016 8.929,1017 1.19,1018 10.956,1019 4.012,1020 6.608,1021 7.75,1022 0.653,1023 12.453,1024 6.305,1025 10.28,1026 1.134,1027 12.695,1028 2.721,1029 8.126,1030 9.636,1031 1.345,1032 15.059,1033 7.761,1034 11.654,1035 1,1036 14.46,1037 2.646,1038 8.846,1039 10.521,1040 0.482,1041 17.062,1042 8.427,1043 13.044,1044 1,1045 16.244,1046 2.509,1047 10.124,1048 12.171,1049 1.078,1050 19.483,1051 9.647,1052 3.095,1053 1,1054 18.042,1055 2.136,1056 11.04,1057 13.261,1058 0.337,1059 21.648,1060 10.509,1061 3.023,1062 10.37,1063 19.85,1064 2.136,1065 12.213,1066 14.789,1067 0.852,1068 23.998,1069 11.628,1070 2.684,1071 9.701,1072 21.668,1073 3.992,1074 13.226,1075 15.995,1076 0.229,1077 26.239,1078 12.588,1079 2.677,1080 8.629,1081 23.492,1082 3.92,1083 14.357,1084 17.454,1085 0.663,1086 28.564,1087 13.666,1088 2.413,1089 8.032,1090 25.323,1091 3.652,1092 15.418,1093 18.728,1094 0.153,1095 30.842,1096 14.675,1097 2.198,1098 7.212,1099 27.158,1100 2.972,1101 16.532,1102 20.149,1103 0.509,1104 33.159,1105 15.738,1106 2.024,1107 6.385,1108 28.999,1109 2.941,1110 17.617,1111 21.463,1112 0.1,1113 35.457,1114 16.772,1115 18631,1116 29316,1117 27.334,1118 44.302,1119 59.465,1120 60.164,1121 60.727,1122 59.3,1123 59.303,1124 72.656,1125 10.569,1126 167.312,1127 55.335,1128 5.39,1129 5.319,1130 6.398,1131 5.149,1132 5.095,1133 6.992,1134 1.72,1135 17.479,1136 4.955,1137 14.186,1138 1.487,1139 1.504,1140 1.518,1141 1.482,1142 1.483,1143 1.816,1144 0.264,1145 4.183,1146 1.383,1147 4.024,1148 4.071,1149 3.976,1150 3.913,1151 6.457,1152 3.918,1153 3.942,1154 3.982,1155 3.891,1156 3.815,1157 5.03,1158 3.832,1159 3.793,1160 3.846,1161 3.743,1162 3.622,1163 4.853,1164 3.646,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.694,1170 3.538,1171 3.613,1172 3.659,1173 3.502,1174 3.43,1175 4.613,1176 3.439,1177 3.359,1178 3.424,1179 3.227,1180 3.177,1181 4.572,1182 3.175,1183 3.252,1184 3.343,1185 3.089,1186 3.025,1187 4.14,1188 3.028,1189 3.111,1190 3.206,1191 2.923,1192 2.941,1193 4.044,1194 2.91,1195 0.11,1196 0.083,1197 0.165,1198 0.101,1199 0.077,1200 4.39,1201 0.1,1202 3.319,1203 0.022,1204 6.596,1205 0.259,1206 4.046,1207 0.074,1208 3.095,1209 3.992,1210 0.86,1211 10.37,1212 2.955,1213 1.949,1214 1.921,1215 2.054,1216 2.085,1217 1.232,1218 2.068,1219 1.888,1220 1.844,1221 1.998,1222 2.047,1223 1.207,1224 2.042,1225 1.723,1226 1.672,1227 1.905,1228 1.933,1229 1.19,1230 1.927,1231 1.683,1232 1.624,1233 1.842,1234 1.917,1235 0.925,1236 1.9,1237 1.563,1238 1.515,1239 1.749,1240 1.763,1241 0.835,1242 1.761,1243 1.331,1244 1.272,1245 1.616,1246 1.569,1247 0.825,1248 1.581,1249 1.236,1250 1.139,1251 1.573,1252 1.503,1253 0.825,1254 1.533,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.734,1260 1.429,1261 4.394,1263 5.707,1265 7.223,1267 8.825,1269 10.471,1271 4.014,1276 9.567,1277 6.007,1278 3.402,1279 11.076,1282 6.507,1289 42.143,1290 108.405,1291 242.778,1292 320.469,1293 333.978,1294 335.978,1295 335.978,1296 52.026,1297 8.23,1298 99.11,1299 99.11,1300 30,1301 12.763,1302 4.248,1303 3.322,1304 54.274,1305 168,1306 168,1307 0.155,1308 256.407,1309 443.47,1310 617.392,1311 46730,1313 24.907,1314 0.692,1315 0.579,1316 24.907,1317 20.852,1318 17.602,1319 0.44,1320 0.308,1321 12.072,1322 16.676,1323 11.785,1324 9.695,1325 17.602,1326 12.322,1327 15.505,1328 0.282,1329 0.163,1330 15.505,1331 8.972,1332 13.364,1333 0.183,1334 0.089,1335 13.364,1336 6.527,1337 11.104,1338 0.117,1339 0.047,1340 11.104,1341 4.446,1342 9.361,1343 0.075,1344 0.025,1345 9.361,1346 3.062,1347 0.244,1348 111.768,1349 0.191,1350 32.841,1351 0.423,1352 190,1353 547.824,1354 212.655,1355 517.646,1356 717.38,1357 492,1358 223,1359 527.943,1360 246.685,1361 531.877,1362 782.58,1363 500,1364 7.854}
{0 CHEMBL1762551,1 1.604,2 12.722,3 3.82,4 14.589,5 140.952,6 7.245,7 0.45,8 4.334,9 4.464,10 3.883,11 3.761,12 5.385,13 3.767,14 4.903,15 5.102,16 4.226,17 4.143,18 5.919,19 4.129,20 5.098,21 5.314,22 4.288,23 4.317,24 6.051,25 4.268,26 5.167,27 5.406,28 4.265,29 4.359,30 6.129,31 4.277,32 5.209,33 5.46,34 4.305,35 4.367,36 6.157,37 4.293,38 5.186,39 5.422,40 4.309,41 4.349,42 6.158,43 4.288,44 5.247,45 5.497,46 4.274,47 4.342,48 6.208,49 4.266,50 5.246,51 5.513,52 4.181,53 4.312,54 6.124,55 4.22,56 0.069,57 1.064,58 15.061,59 5.362,60 10.647,61 7.821,62 0.635,63 1.641,64 30.16,65 8.84,66 40.781,67 12.861,68 0.584,69 1.959,70 36.64,71 10.417,72 40.083,73 16.455,74 0.622,75 2.069,76 39.483,77 12.189,78 52.105,79 18.781,80 0.663,81 2.092,82 41.98,83 11.744,84 55.07,85 19.284,86 0.647,87 2.094,88 40.433,89 11.158,90 49.956,91 17.793,92 0.885,93 2.062,94 44.507,95 11.744,96 71.593,97 19.188,98 0.69,99 2,100 44.896,101 12.165,102 58.148,103 19.568,104 11,105 55,106 0.253,107 0.557,108 0.738,109 0.785,110 0.818,111 0.841,112 3.616,113 0.914,114 -4.68,115 -4.6,116 -4.32,118 36.8,119 1,123 1,124 9,138 5,139 2,140 1,141 1,143 3,146 2,167 5,170 6,171 8,173 3,175 2,178 5,181 2,182 3,186 2,188 4,191 5,192 6,195 4,197 2,199 3,203 3,204 4,206 1,208 1,211 3,214 7,215 5,220 3,223 2,227 3,228 4,231 3,233 4,239 3,240 6,245 1,247 2,251 4,252 3,255 1,256 1,260 3,264 2444,265 24.817,266 24.817,267 24.817,268 24.817,269 24.817,270 22.719,271 45.385,272 14.82,273 25.78,274 19.732,275 19.732,276 19.732,277 19.732,278 19.732,279 16.412,280 79.852,281 7.031,282 21.292,283 4.483,284 2.558,285 1.41,286 1.11,287 0.905,288 0.757,289 4.324,294 1,295 1002,296 3.162,300 603.298,307 1.88,308 31.166,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 79,320 458,321 4.39,322 3.319,323 6.596,324 4.045,325 3.095,326 3.992,327 0.86,328 10.37,329 2.954,330 4.318,331 3.241,332 6.311,333 3.942,334 3.023,335 3.92,336 0.86,337 9.701,338 2.778,339 4.052,340 3.013,341 6.016,342 3.617,343 2.684,344 3.652,345 0.8,346 8.629,347 2.515,348 3.795,349 2.847,350 5.778,351 3.596,352 2.677,353 2.972,354 0.8,355 8.032,356 2.445,357 3.658,358 2.686,359 5.474,360 3.352,361 2.413,362 2.941,363 0.8,364 7.212,365 2.258,366 3.499,367 2.47,368 5.196,369 3.161,370 2.198,371 2.777,372 0.765,373 6.385,374 2.117,375 3.309,376 2.341,377 5.009,378 2.959,379 2.024,380 2.536,381 0.4,382 5.835,383 1.883,384 2.965,385 2.25,386 4.489,387 2.663,388 1.755,389 2.051,391 4.543,392 1.591,393 2.862,394 2.082,395 4.377,396 2.587,397 1.697,398 1.978,400 4.065,401 1.505,402 2.838,403 1.645,404 4.283,405 2.438,406 1.474,407 1.879,409 4.012,410 1.416,411 2.655,412 1.494,413 3.622,414 2.131,415 1.19,416 1.727,417 2.721,418 1.118,419 2.238,420 1.288,421 3.51,422 2.002,423 1.134,424 1.225,425 2.646,426 0.978,427 2.166,428 1.256,429 3.472,430 1.952,431 1,432 1.132,433 2.509,434 0.946,435 2.041,436 1.256,437 3.436,438 1.952,439 1,440 1,441 2.136,442 0.946,443 2,444 1.208,445 3.247,446 1.884,447 1,448 1,449 2.136,450 0.879,451 16.7,452 0.464,453 0.742,454 0.021,455 46,456 1.278,457 20,458 0.556,459 26,460 0.722,461 33.492,462 0.93,463 40.3,464 0.593,465 37.758,466 1.049,467 9.178,468 0.255,469 8.424,470 0.234,471 0.08,473 0.311,478 0.971,479 1.747,480 0.808,481 1.332,482 0.93,483 1.081,484 1.27,485 0.922,486 0.947,487 0.84,488 0.954,489 0.844,490 1.093,491 1.244,492 1.019,493 1.007,494 0.813,495 0.994,496 0.728,497 1.039,498 1.012,499 1.083,500 0.912,501 1.087,502 0.738,503 1.141,504 0.895,505 0.968,506 0.785,507 0.944,508 0.946,509 1.088,510 1.061,511 1.054,512 0.851,513 1.054,514 0.969,515 1.091,516 1.02,517 0.974,518 1.165,519 0.992,520 1.01,521 0.987,522 1.011,523 0.967,524 0.986,525 0.972,526 6.5,527 0.231,528 3.333,529 2.25,530 1.711,531 1.382,532 0.75,533 0.363,534 0.267,535 0.307,536 19918,537 50067,538 2.137,539 47.1,540 3,541 26,543 1,544 2,549 1.778,550 2.038,551 3.64,552 0.231,558 109.096,559 1.604,560 3.53,561 4.678,562 4.977,563 5.183,564 5.33,565 3.03,566 4.139,567 5.144,568 3.815,569 2403.19,570 9.06,571 38470.7,576 413.947,577 1.256,578 5.118,579 0.162,580 0.006,581 0.061,582 0.039,583 0.031,584 0.024,585 0.013,586 0.007,587 0.005,588 0.007,589 0.355,590 0.17,591 0.63,592 0.586,593 196.021,594 -0.068,595 -0.451,596 0.077,597 -0.192,598 -0.078,599 -0.056,600 -0.048,601 0.218,602 0.037,603 0.145,604 0.002,605 0.099,606 -0.122,607 -0.132,608 -0.061,609 -0.005,610 -0.047,611 -0.021,612 0.04,613 0.06,614 -0.069,615 -0.086,616 -0.044,617 -0.1,618 0.055,619 -0.088,620 0.065,621 0.011,622 0.024,623 0.039,624 -0.053,625 0.026,626 -0.098,627 -0.098,628 -0.032,629 -0.102,630 0.031,631 -0.068,632 -0.03,633 -0.025,634 -0.015,635 -0.036,636 -0.085,637 0.001,638 -0.021,639 -0.02,640 -0.089,641 -0.005,642 1.512,643 3.56,644 0.833,645 39,646 1.006,647 1.141,648 3.45,649 11.903,650 0.64,651 3.714,652 4.025,653 4.304,654 4.564,655 4.828,656 4.868,657 5.03,658 5.153,659 5.288,660 5.389,661 7.721,662 0.612,663 492.65,664 3.714,665 5.252,666 6.103,667 6.974,668 7.84,669 8.718,670 9.59,671 10.47,672 11.345,673 12.227,674 11.8,680 2,682 2,684 4,690 6,691 4,695 8,697 18,709 1,711 3,716 68,718 18,719 1,720 40,722 72,723 25,724 14,725 3,726 3,728 5,729 5,732 2,740 14,741 11,760 32,761 11,762 2,763 11,769 8,775 1,776 3,777 1,788 2,794 5,817 1,818 2,819 5,823 2,827 36,832 1,833 9,834 1,835 2,838 3,850 4.4,851 1,854 2,858 17.667,859 12.683,860 7.972,861 4.018,863 3.394,864 1.412,865 0.965,866 7.895,867 11.624,868 3.912,869 4.46,870 4.999,871 5.545,872 6.087,873 6.28,874 6.634,875 6.991,876 7.348,877 7.699,878 1,879 58,880 13.304,881 5.56,882 7.62,883 25.743,884 20.879,885 2.12,886 76.333,890 353.133,891 120.352,892 94.526,894 64.683,897 120.352,898 417.816,899 94.526,900 17.222,901 26.792,902 90.065,903 100.913,904 45.559,905 10.782,906 341.362,908 353.133,909 214.878,910 64.683,913 353.133,915 64.683,917 69.598,918 78.138,919 67.142,921 353.133,922 159.209,923 120.352,926 353.133,927 46.702,928 83.023,929 18.011,930 131.825,931 353.133,932 159.209,933 120.352,935 0.575,936 0.34,937 0.186,938 0.107,939 26,940 11,941 0.097,942 7,944 1,945 4.626,946 351.687,948 30,949 176.117,954 24.808,955 11.458,956 5.937,958 159.209,959 11.405,960 18.813,964 6.211,966 60.694,967 632.694,968 49,980 68.4,981 77.597,983 0.264,984 0.58,985 0.768,986 0.818,987 0.851,988 0.876,989 5.156,990 1.755,991 6.071,992 5.835,993 4.71,994 5.147,995 2.12,996 6.862,997 4.567,998 6.324,999 1.697,1000 7.613,1001 4.543,1002 4.205,1003 4.844,1004 0.766,1005 7.692,1006 4.005,1007 7.61,1008 1.474,1009 9.255,1010 4.065,1011 6.282,1012 7.249,1013 1.669,1014 10.8,1015 6.007,1016 8.929,1017 1.19,1018 10.956,1019 4.012,1020 6.608,1021 7.75,1022 0.653,1023 12.453,1024 6.275,1025 10.28,1026 1.134,1027 12.695,1028 2.721,1029 8.126,1030 9.636,1031 1.345,1032 15.059,1033 7.724,1034 11.654,1035 1,1036 14.46,1037 2.646,1038 8.846,1039 10.521,1040 0.482,1041 17.062,1042 8.385,1043 13.044,1044 1,1045 16.244,1046 2.509,1047 10.124,1048 12.171,1049 1.078,1050 19.483,1051 9.599,1052 3.095,1053 1,1054 18.042,1055 2.136,1056 11.04,1057 13.261,1058 0.337,1059 21.648,1060 10.457,1061 3.023,1062 10.37,1063 19.85,1064 2.136,1065 12.213,1066 14.789,1067 0.852,1068 23.998,1069 11.57,1070 2.684,1071 9.701,1072 21.668,1073 3.992,1074 13.226,1075 15.995,1076 0.229,1077 26.239,1078 12.526,1079 2.677,1080 8.629,1081 23.492,1082 3.92,1083 14.357,1084 17.454,1085 0.663,1086 28.564,1087 13.599,1088 2.413,1089 8.032,1090 25.323,1091 3.652,1092 15.418,1093 18.728,1094 0.153,1095 30.842,1096 14.605,1097 2.198,1098 7.212,1099 27.158,1100 2.972,1101 16.532,1102 20.149,1103 0.509,1104 33.159,1105 15.664,1106 2.024,1107 6.385,1108 28.999,1109 2.941,1110 17.617,1111 21.463,1112 0.1,1113 35.457,1114 16.696,1115 18631,1116 29704,1117 27.334,1118 43.546,1119 59.465,1120 60.164,1121 60.727,1122 59.314,1123 59.303,1124 72.656,1125 10.569,1126 167.312,1127 55.03,1128 5.39,1129 5.319,1130 6.398,1131 5.149,1132 5.095,1133 6.992,1134 1.72,1135 17.479,1136 4.954,1137 14.186,1138 1.487,1139 1.504,1140 1.518,1141 1.483,1142 1.483,1143 1.816,1144 0.264,1145 4.183,1146 1.376,1147 4.015,1148 4.065,1149 3.97,1150 3.909,1151 6.457,1152 3.913,1153 3.931,1154 3.977,1155 3.884,1156 3.757,1157 5.059,1158 3.786,1159 3.793,1160 3.846,1161 3.743,1162 3.619,1163 4.917,1164 3.644,1165 3.745,1166 3.803,1167 3.626,1168 3.519,1169 4.695,1170 3.535,1171 3.595,1172 3.646,1173 3.492,1174 3.394,1175 4.614,1176 3.409,1177 3.359,1178 3.423,1179 3.227,1180 3.177,1181 4.588,1182 3.175,1183 3.252,1184 3.343,1185 3.089,1186 3.025,1187 4.144,1188 3.027,1189 3.111,1190 3.206,1191 2.922,1192 2.941,1193 4.065,1194 2.91,1195 0.11,1196 0.083,1197 0.165,1198 0.101,1199 0.077,1200 4.39,1201 0.1,1202 3.319,1203 0.022,1204 6.596,1205 0.259,1206 4.045,1207 0.074,1208 3.095,1209 3.992,1210 0.86,1211 10.37,1212 2.954,1213 1.949,1214 1.92,1215 2.054,1216 2.079,1217 1.216,1218 2.061,1219 1.842,1220 1.789,1221 1.967,1222 2.045,1223 1.207,1224 2.032,1225 1.723,1226 1.671,1227 1.904,1228 1.933,1229 1.188,1230 1.926,1231 1.68,1232 1.621,1233 1.836,1234 1.917,1235 0.86,1236 1.899,1237 1.527,1238 1.476,1239 1.688,1240 1.749,1241 0.825,1242 1.735,1243 1.331,1244 1.272,1245 1.616,1246 1.569,1247 0.825,1248 1.58,1249 1.235,1250 1.139,1251 1.571,1252 1.503,1253 0.763,1254 1.533,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.731,1260 1.429,1261 4.394,1263 5.707,1265 7.223,1267 8.825,1269 10.471,1271 3.988,1276 9.56,1277 5.698,1278 3.291,1279 11.033,1282 6.336,1289 41.637,1290 109.096,1291 240.034,1292 318.073,1293 338.438,1294 352.438,1295 362.438,1296 52.065,1297 8.23,1298 112,1299 112,1300 30,1301 12.763,1302 4.248,1303 3.322,1304 54.274,1305 168,1306 168,1307 0.155,1308 253.609,1309 437.17,1310 610.565,1311 46730,1313 24.907,1314 0.692,1315 0.576,1316 24.907,1317 20.722,1318 17.602,1319 0.44,1320 0.305,1321 11.927,1322 16.619,1323 11.657,1324 9.586,1325 17.602,1326 12.192,1327 15.505,1328 0.282,1329 0.16,1330 15.505,1331 8.812,1332 13.364,1333 0.183,1334 0.087,1335 13.364,1336 6.372,1337 11.104,1338 0.117,1339 0.045,1340 11.104,1341 4.294,1342 9.361,1343 0.075,1344 0.024,1345 9.361,1346 2.93,1347 0.244,1348 112.176,1349 0.191,1350 32.841,1351 0.423,1352 190,1353 567.469,1354 214.875,1355 534.89,1356 740.78,1357 508,1358 223,1359 546.76,1360 248.85,1361 549.165,1362 809.54,1363 516,1364 6.975}
{0 CHEMBL1789941,1 1.454,2 8.217,3 2.741,4 7.514,5 87.719,6 7.473,7 0.577,8 3.83,9 3.964,10 3.419,11 3.379,12 4.917,13 3.361,14 4.393,15 4.579,16 3.766,17 3.812,18 5.342,19 3.761,20 4.662,21 4.912,22 3.726,23 3.893,24 5.519,25 3.793,26 4.671,27 4.931,28 3.794,29 3.896,30 5.617,31 3.814,32 4.649,33 4.893,34 3.712,35 3.876,36 5.675,37 3.777,38 4.555,39 4.837,40 3.475,41 3.656,42 5.585,43 3.543,44 4.166,45 4.425,46 3.14,47 3.392,48 5.114,49 3.28,50 4.06,51 4.274,52 3.265,53 3.408,54 5.073,55 3.326,56 0.041,57 0.682,58 8.241,59 3.401,60 9.986,61 4.712,62 0.131,63 1.111,64 15.972,65 6.023,66 16.474,67 8.592,68 0.168,69 1.289,70 23.327,71 7.929,72 29.134,73 11.904,74 0.319,75 1.31,76 24.085,77 7.725,78 35.496,79 11.607,80 0.191,81 1.284,82 22.816,83 7.672,84 37.649,85 11.491,86 0.341,87 1.111,88 22.197,89 6.431,90 46.383,91 9.929,92 0.152,93 0.763,94 14.408,95 4.675,96 28.391,97 7.021,98 0.105,99 0.743,100 11.964,101 4.393,102 18.547,103 6.355,104 4,105 36,106 0.253,107 0.65,108 0.797,109 0.84,110 0.84,111 0.84,112 3.189,113 0.93,114 -3.52,115 -3.5,116 -3.34,118 41.5,120 5,121 1,126 1,138 1,139 2,141 1,142 1,144 1,147 2,153 1,156 1,161 1,167 6,170 1,171 8,173 1,175 2,178 7,182 6,188 3,191 3,192 8,195 1,197 1,199 4,203 1,204 6,211 2,214 2,215 5,218 2,223 4,228 2,235 4,239 1,240 5,245 2,247 4,252 3,257 2,260 2,264 634,265 16.215,266 16.215,267 16.215,268 16.215,269 16.215,270 14.344,271 6.822,272 9.756,273 16.506,274 12.839,275 12.839,276 12.839,277 12.839,278 12.839,279 10.007,280 4.471,281 4.518,282 13.317,283 3.904,284 1.625,285 0.78,286 0.537,287 0.537,288 0.537,289 3.888,292 1,293 1,294 1,295 419,296 2.828,299 170.596,300 59.764,303 89.897,307 1.338,308 15.978,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 49,320 189,321 4.587,322 4.046,323 6.708,324 4.141,325 3.169,326 4.516,327 2.308,328 10.904,329 3.079,330 4.226,331 3.197,332 6.498,333 3.961,334 2.991,335 3.803,337 10.176,338 2.904,339 3.822,340 3.047,341 5.787,342 3.498,343 2.526,344 3.076,346 7.9,347 2.452,348 3.452,349 2.526,350 5.228,351 3.085,352 2.119,353 2.582,355 6.277,356 2.044,357 3.369,358 2.156,359 4.594,360 2.625,361 1.661,362 2.322,364 4.488,365 1.598,366 3.048,367 1.721,368 4.13,369 2.479,370 1.548,371 2.077,373 3.65,374 1.438,375 2.878,376 1.548,377 3.907,378 2.216,379 1.255,380 1.857,382 3.132,383 1.202,384 2.5,385 1.345,386 3.404,387 2.076,388 1.09,389 1.5,391 2.231,392 1.073,393 2.395,394 1.107,395 3.312,396 1.947,397 1,398 1.287,400 2.201,401 0.945,402 2.169,403 1,404 3.28,405 1.666,406 0.73,407 1.035,409 1.733,410 0.681,411 1.922,412 0.737,413 3.122,414 1.618,415 0.618,416 0.652,417 1.372,418 0.618,419 1.735,420 0.618,421 3,422 1.389,423 0.447,424 0.618,425 1.129,426 0.42,427 1.618,428 0.443,429 2.786,430 1.273,431 0.315,432 0.42,433 0.628,434 0.301,435 0.902,436 0.204,437 2.429,438 0.402,439 -0.539,440 -0.751,441 -1.225,442 -0.505,443 0.693,444 -0.551,445 2.188,446 0.209,447 -0.743,448 -1.039,449 -1.489,450 -0.705,451 10.9,452 0.474,453 0.393,454 0.017,455 30.5,456 1.326,457 15,458 0.652,459 15.5,460 0.674,461 18.157,462 0.789,463 23.9,464 0.583,465 18.79,466 0.817,467 5.394,468 0.235,469 5.971,470 0.26,471 0.037,473 0.312,478 0.766,479 1.309,480 0.758,481 1.077,482 0.43,483 0.944,484 0.858,485 1.159,486 0.92,487 1.086,488 0.486,489 1.025,490 0.927,491 1.137,492 0.95,493 1.069,494 0.691,495 1.023,496 0.927,497 0.81,498 0.856,499 0.799,500 0.718,501 0.814,502 0.971,503 1.162,504 1.026,505 1.129,506 0.966,507 1.093,508 1.158,509 0.826,510 1.069,511 0.89,512 1.744,513 0.954,514 1.165,515 0.874,516 1.085,517 0.927,518 1.718,519 0.983,520 0.894,521 1.064,522 1.019,523 1.098,524 0.791,525 1.08,526 3,527 0.037,528 2.667,529 1.215,530 0.733,531 0.647,532 0.376,533 0.172,534 0.136,535 0.096,536 5727,537 13930,538 2.196,539 43.9,540 8,541 2,542 2,543 2,544 1,545 2,546 1,549 1.66,550 2.123,551 3.049,552 -0.284,553 1,554 1,556 1,558 59.604,559 1.454,560 3.732,561 4.577,562 4.821,563 4.821,564 4.821,565 2.392,566 3.762,567 4.498,568 3.233,569 817.862,570 7.757,571 9238.71,572 1,573 1,575 1,576 219.66,577 1.121,578 4.483,579 0.115,580 0.004,581 0.074,582 0.037,583 0.02,584 0.02,585 0.016,586 0.01,587 0.006,588 0.005,589 0.308,590 0.33,591 1,592 0.787,593 106.314,594 0.081,595 -0.125,596 0.074,597 -0.046,598 0.165,599 0.003,600 0.035,601 -0.064,602 -0.03,603 -0.078,604 0.037,605 -0.066,606 -0.043,607 -0.179,608 0.016,609 -0.073,610 0.018,611 -0.029,612 0.102,613 0.166,614 0.135,615 0.167,616 0.055,617 0.157,618 -0.037,619 -0.184,620 -0.064,621 -0.146,622 0.006,623 -0.115,624 0.014,625 0.129,626 -0.044,627 0.033,628 -0.207,629 -0.006,630 -0.215,631 0.088,632 -0.107,633 0.053,634 -0.279,636 -0.033,637 -0.032,638 -0.1,639 -0.089,640 0.035,641 -0.101,642 1.167,643 3.18,644 0.826,645 17.149,646 0.998,647 1.134,648 2.291,649 5.25,650 0.673,651 3.296,652 3.611,653 3.951,654 4.263,655 4.357,656 4.489,657 4.625,658 4.71,659 4.71,660 4.787,661 5.368,662 0.641,663 306.41,664 3.296,665 4.828,666 5.7,667 6.589,668 7.478,669 8.373,670 9.267,671 10.164,672 11.061,673 11.959,674 14.6,682 2,683 1,684 3,689 2,690 5,691 3,692 1,695 2,696 1,697 15,716 41,718 16,720 26,722 44,723 17,724 9,728 4,729 5,735 4,736 1,738 6,739 1,740 9,741 7,742 1,756 1,757 1,760 18,761 4,762 1,763 6,769 6,775 0.75,785 1,788 1,789 1,793 3,794 1,797 1,803 1,819 3,827 23,833 5,837 2,842 1,846 1,848 1,858 10.833,859 7.333,860 5.139,861 2.704,863 3.068,864 1.427,865 1.004,866 3.749,867 10.256,868 3.597,869 4.167,870 4.804,871 5.449,872 5.872,873 6.293,874 6.75,875 7.161,876 7.331,877 7.705,878 1,879 33,880 8.479,881 3.648,882 7.623,883 16.561,884 14.166,885 2.123,886 48.833,889 1,890 200.109,891 84.742,892 99.856,897 84.742,898 200.109,899 99.856,901 12.673,902 27.571,903 92.093,904 75.803,905 23.542,906 153.024,908 200.109,909 184.598,913 188.338,914 11.771,917 84.432,918 49.931,919 50.234,921 200.109,922 99.856,923 84.742,926 200.109,927 22.903,928 47.014,929 33.387,930 81.293,931 200.109,932 99.856,933 84.742,935 0.568,936 0.35,937 0.21,938 0.101,939 19,940 7,941 0.091,942 4,943 1,944 1.105,945 3.584,946 191.674,947 0.105,948 19,949 100.042,954 14.267,955 6.043,956 2.59,957 1.817,958 81.293,959 9.272,960 13.183,961 3.103,964 1.85,965 1.967,966 16.786,967 384.706,968 35.5,980 40.912,981 46.481,983 0.271,984 0.697,985 0.854,986 0.9,987 0.9,988 0.9,989 4.834,990 1.09,991 5.666,992 3.132,993 4.29,994 4.852,995 2.456,996 6.503,997 4.221,998 6.03,999 1,1000 7.231,1001 2.231,1002 3.761,1003 4.543,1005 7.455,1006 3.677,1007 7.332,1008 0.73,1009 8.903,1010 2.201,1011 5.889,1012 7.063,1013 4.057,1014 10.603,1015 5.76,1016 8.675,1017 0.618,1018 10.642,1019 1.733,1020 6.312,1021 7.752,1023 12.43,1024 6.168,1025 10.056,1026 0.447,1027 12.425,1028 1.372,1029 7.808,1030 9.634,1031 5.715,1032 15.058,1033 7.624,1034 11.462,1035 0.315,1036 14.236,1037 1.129,1038 8.636,1039 10.767,1041 17.205,1042 8.432,1043 12.888,1044 -0.539,1045 16.067,1046 0.628,1047 9.902,1048 12.41,1049 7.386,1050 19.668,1051 9.663,1052 3.169,1053 -0.743,1054 17.911,1055 -1.225,1056 10.903,1057 13.744,1059 21.942,1060 10.64,1061 2.991,1062 10.904,1063 19.764,1064 -1.489,1065 12.082,1066 15.294,1067 9.058,1068 24.345,1069 11.787,1070 2.526,1071 10.176,1072 21.625,1073 4.516,1074 13.157,1075 16.718,1077 26.673,1078 12.836,1079 2.119,1080 7.9,1081 23.491,1082 3.803,1083 14.306,1084 18.234,1085 10.731,1086 29.055,1087 13.954,1088 1.661,1089 6.277,1090 25.362,1091 3.076,1092 15.414,1093 19.698,1095 31.406,1096 15.034,1097 1.548,1098 4.488,1099 27.237,1100 2.582,1101 16.552,1102 21.202,1103 12.404,1104 33.782,1105 16.143,1106 1.255,1107 3.65,1108 29.114,1109 2.322,1110 17.675,1111 22.686,1113 36.144,1114 17.238,1115 5381,1116 8528,1117 18.087,1118 27.603,1119 39.944,1120 41.503,1121 39.513,1122 38.945,1123 38.937,1124 51.489,1125 4.616,1126 111.644,1127 37.51,1128 5.535,1129 6.046,1130 6.468,1131 5.219,1132 5.169,1133 7.516,1134 4.616,1135 18.123,1136 5.04,1137 6.146,1138 1.536,1139 1.596,1140 1.52,1141 1.498,1142 1.498,1143 1.98,1144 0.178,1145 4.294,1146 1.443,1147 4.127,1148 4.174,1149 4.094,1150 3.992,1151 6.818,1152 4.012,1153 3.958,1154 4.016,1155 3.884,1156 3.825,1157 5.142,1158 3.825,1159 3.765,1160 3.828,1161 3.661,1162 3.603,1163 4.892,1164 3.616,1165 3.473,1166 3.534,1167 3.382,1168 3.327,1169 4.472,1170 3.33,1171 3.275,1172 3.356,1173 3.202,1174 3.035,1175 4.253,1176 3.067,1177 2.972,1178 3.048,1179 2.871,1180 2.787,1181 3.92,1182 2.795,1183 2.869,1184 2.979,1185 2.675,1186 2.671,1187 3.676,1188 2.635,1189 2.775,1190 2.857,1191 2.583,1192 2.544,1193 3.345,1194 2.571,1195 0.176,1196 0.156,1197 0.258,1198 0.159,1199 0.122,1200 4.587,1201 0.174,1202 4.046,1203 0.089,1204 6.708,1205 0.419,1206 4.141,1207 0.118,1208 3.169,1209 4.516,1210 2.308,1211 10.904,1212 3.079,1213 1.858,1214 1.826,1215 1.968,1216 2.003,1217 1.375,1218 1.982,1219 1.778,1220 1.726,1221 1.888,1222 1.952,1223 1.211,1224 1.943,1225 1.577,1226 1.507,1227 1.86,1228 1.751,1229 1.022,1230 1.793,1231 1.473,1232 1.402,1233 1.64,1234 1.708,1235 0.853,1236 1.697,1237 1.367,1238 1.305,1239 1.608,1240 1.568,1241 0.604,1242 1.585,1243 1.315,1244 1.271,1245 1.459,1246 1.456,1247 0.55,1248 1.453,1249 1.145,1250 1.058,1251 1.287,1252 1.442,1253 0.259,1254 1.414,1255 0.868,1256 0.789,1257 1.089,1258 1.123,1259 0.094,1260 1.12,1261 3.97,1263 5.283,1264 3.434,1265 6.788,1266 5.638,1267 8.389,1268 7.609,1269 10.043,1277 5.413,1281 0.722,1287 9.18,1288 2.326,1289 26.289,1290 59.604,1291 153.03,1292 187.66,1293 197.66,1294 197.66,1295 197.66,1296 30.916,1297 7.188,1298 83.18,1299 83.18,1300 21,1301 12.483,1302 4.087,1303 3.392,1304 31.766,1305 76,1306 62,1307 0.213,1308 161.613,1309 265.4,1310 386.096,1311 11900,1313 15.648,1314 0.68,1315 0.557,1316 15.648,1317 12.813,1318 11.365,1319 0.437,1320 0.31,1321 7.965,1322 10.956,1323 7.841,1324 6.475,1325 11.365,1326 8.061,1327 9.78,1328 0.272,1329 0.171,1330 9.78,1331 6.145,1332 8.732,1333 0.171,1334 0.094,1335 8.732,1336 4.813,1337 7.808,1338 0.112,1339 0.052,1340 7.808,1341 3.656,1342 5.501,1343 0.071,1344 0.026,1345 5.501,1346 1.983,1347 0.326,1348 70.932,1349 0.235,1350 22.279,1351 0.606,1352 124,1353 324.558,1354 134.102,1355 323.385,1356 451.16,1357 304,1358 149,1359 343.124,1360 160.435,1361 347.666,1362 506.56,1363 328,1364 5}
{0 CHEMBL180022,1 1.64,2 15.75,3 5.095,4 25.957,5 155.746,6 8.074,7 0.535,8 4.323,9 4.436,10 3.953,11 3.866,12 5.504,13 3.856,14 4.823,15 4.99,16 4.287,17 4.211,18 5.95,19 4.188,20 5.034,21 5.207,22 4.416,23 4.356,24 6.189,25 4.313,26 5.116,27 5.33,28 4.384,29 4.375,30 6.215,31 4.307,32 5.087,33 5.277,34 4.401,35 4.408,36 6.257,37 4.343,38 5.11,39 5.304,40 4.487,41 4.433,42 6.295,43 4.382,44 5.143,45 5.327,46 4.498,47 4.435,48 6.404,49 4.376,50 5.1,51 5.3,52 4.403,53 4.344,54 6.311,55 4.271,56 0.063,57 0.996,58 12.243,59 5.847,60 13.293,61 7.294,62 0.342,63 1.527,64 24.666,65 9.35,66 31.741,67 11.878,68 0.569,69 1.813,70 33.334,71 11.829,72 56.824,73 14.934,74 0.594,75 1.909,76 38.801,77 13.573,78 68.673,79 17.944,80 0.671,81 1.869,82 38.318,83 13.487,84 71.405,85 17.429,86 0.482,87 1.956,88 36.057,89 13.018,90 59.248,91 17.037,92 0.673,93 1.965,94 39.088,95 13.007,96 100.549,97 16.255,98 0.668,99 1.79,100 42.208,101 13.335,102 93.345,103 17.149,104 54,105 58,106 0.254,107 0.623,108 0.82,109 0.883,110 0.883,111 0.883,112 3.717,113 0.905,114 -2.49,115 -2.52,116 -2.46,118 43.5,119 1,123 2,124 3,132 2,138 8,139 2,140 6,141 2,142 2,153 2,167 5,171 11,173 1,175 6,178 5,181 1,182 9,184 1,186 5,188 4,191 2,192 4,195 2,197 2,199 8,203 2,204 6,206 3,207 1,208 2,211 9,215 11,218 1,223 12,227 1,228 8,231 2,233 3,235 8,239 2,240 8,243 1,245 4,247 7,251 3,252 5,257 2,260 2,264 3800,265 27.101,266 27.101,267 27.101,268 27.101,269 27.101,270 23.885,271 36.005,272 16.333,273 27.862,274 21.167,275 21.167,276 21.167,277 21.167,278 21.167,279 16.155,280 48.297,281 7.659,282 22.361,283 4.469,284 2.092,285 0.815,286 0.41,287 0.41,288 0.41,289 4.412,290 1,294 1,295 1326,296 4.583,300 520.413,304 202.84,307 2.538,308 40.681,311 0.75,312 0.5,313 0.67,314 0.7,315 0.5,316 0.67,317 0.5,318 0.61,319 86.333,320 630,321 4.64,322 4.073,323 6.741,324 4.181,325 3.204,326 4.576,327 2.035,328 11.049,329 3.129,330 4.25,331 3.496,332 6.168,333 3.816,334 2.883,335 3.896,336 1.151,337 9.17,338 2.703,339 4.14,340 3.298,341 6.069,342 3.727,343 2.778,344 3.663,345 1.058,346 8.761,347 2.599,348 3.892,349 3.22,350 5.639,351 3.468,352 2.509,353 3.442,354 0.916,355 7.373,356 2.404,357 3.79,358 2.953,359 5.344,360 3.363,361 2.374,362 3.134,363 0.86,364 6.969,365 2.345,366 3.629,367 2.787,368 5.227,369 3.179,370 2.239,371 2.897,372 0.4,373 6.516,374 2.107,375 3.553,376 2.644,377 5.063,378 3.114,379 2.168,380 2.842,381 0.172,382 6.092,383 2.037,384 3.309,385 2.445,386 4.806,387 3.064,388 2.106,389 2.605,391 5.27,392 1.986,393 3.217,394 2.227,395 4.641,396 2.779,397 1.815,398 2.238,400 5.093,401 1.744,402 3.004,403 2.123,404 4.281,405 2.503,406 1.564,407 2.107,409 3.896,410 1.473,411 2.939,412 2.053,413 4.184,414 2.36,415 1.439,416 1.962,417 3.72,418 1.314,419 2.83,420 1.723,421 3.636,422 2.339,423 1.414,424 1.766,425 3.122,426 1.232,427 2.712,428 1.594,429 3.567,430 2.003,431 1.024,432 1.5,433 2.197,434 0.997,435 2.525,436 1.509,437 3.247,438 1.959,439 1,440 1.357,441 2.136,442 0.956,443 2.5,444 1.244,445 3.208,446 1.916,447 0.972,448 1.258,449 1.951,450 0.909,451 19.114,452 0.478,453 0.886,454 0.022,455 56,456 1.4,457 30,458 0.75,459 26,460 0.65,461 34.223,462 0.856,463 42.086,464 0.61,465 49.468,466 1.237,467 11.336,468 0.283,469 8.035,470 0.201,471 0.154,473 0.309,478 0.812,479 1.347,480 0.661,481 1.053,482 0.589,483 0.927,484 1.113,485 1.073,486 0.756,487 0.854,488 0.61,489 0.818,490 1.153,491 1.14,492 0.956,493 1.028,494 0.886,495 0.994,496 0.955,497 0.926,498 0.848,499 0.911,500 0.862,501 0.891,502 0.94,503 0.913,504 1.058,505 0.981,506 1.136,507 0.952,508 0.996,509 1.081,510 0.816,511 0.923,512 1.059,513 0.889,514 1.393,515 1.024,516 1.151,517 0.945,518 1.792,519 0.987,520 1.184,521 1.015,522 1.235,523 1.086,524 1.258,525 1.026,526 8,527 0.355,528 4,529 2.125,530 2.533,531 1.528,532 1.093,533 0.887,534 0.639,535 0.338,536 26029,537 75280,538 2.036,539 42,541 22,543 2,544 2,546 3,549 1.803,550 1.905,551 3.876,552 0.149,558 113.135,559 1.64,560 4.016,561 5.293,562 5.699,563 5.699,564 5.699,565 3.383,566 5.072,567 5.283,568 4.088,569 3188.76,570 9.348,571 56274.5,576 421.488,577 1.406,578 5.251,579 0.186,580 0.008,581 0.069,582 0.034,583 0.042,584 0.024,585 0.016,586 0.014,587 0.011,588 0.007,589 0.412,590 0.33,591 0.75,592 1.572,593 227.222,594 -0.049,595 -0.194,596 0.03,597 -0.081,598 -0.03,599 -0.017,600 -0.093,601 0.013,602 0.062,603 0.098,604 0.032,605 0.103,606 -0.029,607 -0.095,608 -0.031,609 -0.061,610 -0.027,611 -0.061,612 0.037,613 0.065,614 0.1,615 0.071,616 0.032,617 0.091,618 0.086,619 0.09,620 -0.032,621 0.024,622 -0.013,623 0.024,624 -0.027,625 -0.049,626 0.1,627 0.051,628 0.007,629 0.071,630 -0.166,631 0.017,632 -0.08,633 0.026,634 -0.18,635 -0.058,636 -0.001,637 -0.04,638 -0.028,639 -0.072,640 0.026,641 -0.049,642 1.964,643 5.613,644 0.55,645 59.85,646 1.008,647 1.124,648 1.264,649 1.598,650 0.687,651 3.784,652 4.078,653 4.317,654 4.575,655 4.852,656 4.977,657 5.13,658 5.313,659 5.447,660 5.485,661 8.962,662 0.658,663 557.1,664 3.784,665 5.313,666 6.146,667 7.013,668 7.871,669 8.749,670 9.621,671 10.505,672 11.386,673 12.276,674 8.7,677 1,681 1,682 1,683 1,684 2,689 2,690 10,691 2,695 8,697 23,699 1,709 1,714 2,715 1,716 69,718 26,719 2,720 43,722 72,723 30,724 20,725 7,726 5,727 3,728 4,729 5,730 1,732 1,739 1,740 23,741 6,744 2,749 1,751 2,753 1,760 29,761 9,762 2,763 10,764 1,769 6,775 0.75,776 3,787 2,794 4,798 1,807 1,811 2,816 1,819 3,823 3,824 1,827 40,833 3,834 2,835 2,838 1,842 1,846 1,848 1,849 1,850 4.3,853 1,855 2,858 21,859 13.443,860 9.056,861 4,863 4.651,864 1.551,865 0.969,866 10.068,867 13.085,868 4.086,869 4.659,870 5.242,871 5.83,872 6.444,873 6.803,874 7.251,875 7.731,876 8.173,877 8.415,878 0.909,879 62,880 14.727,881 6.097,882 7.811,883 27.684,884 21.684,885 2.311,886 92.444,890 317.82,891 203.989,892 103.776,893 39.149,894 47.145,897 203.989,898 404.113,899 103.776,900 25.618,901 29.301,902 94.762,903 103.565,904 125.206,906 294.278,907 39.149,908 317.82,909 307.766,910 47.145,911 39.149,913 282.506,914 82.458,917 113.317,918 141.925,919 91.672,921 317.82,922 150.921,923 243.138,926 317.82,927 48.912,928 141.6,929 52.623,930 150.924,931 317.82,932 150.921,933 243.138,935 0.567,936 0.321,937 0.174,938 0.101,939 24,940 12,941 0.153,942 11,943 1,944 1.091,945 4.906,946 386.957,947 0.091,948 22,949 208.877,954 29.007,955 13.884,956 7.791,957 1.217,958 150.921,959 17.568,960 8.696,964 4.116,966 36.022,967 711.879,968 58.5,973 12.613,975 3.245,977 -0.297,980 69.52,981 77.544,983 0.268,984 0.657,985 0.867,986 0.933,987 0.933,988 0.933,989 5.312,990 2.106,991 6.116,992 6.092,993 4.762,994 5.347,995 2.861,996 6.897,997 4.66,998 6.52,999 1.815,1000 7.654,1001 5.27,1002 4.29,1003 5.121,1004 0.325,1005 7.743,1006 4.141,1007 7.82,1008 1.564,1009 9.291,1010 5.093,1011 6.323,1012 7.555,1013 3.77,1014 10.836,1015 6.14,1016 9.155,1017 1.439,1018 10.989,1019 3.896,1020 6.661,1021 8.168,1022 0.393,1023 12.525,1024 6.432,1025 10.52,1026 1.414,1027 12.725,1028 3.72,1029 8.154,1030 10.068,1031 5.023,1032 15.143,1033 7.899,1034 11.909,1035 1.024,1036 14.489,1037 3.122,1038 8.885,1039 11.102,1040 0.384,1041 17.206,1042 8.59,1043 13.317,1044 1,1045 16.274,1046 2.197,1047 10.155,1048 12.772,1049 6.395,1050 19.662,1051 9.836,1052 3.204,1053 0.972,1054 18.076,1055 2.136,1056 11.087,1057 14.032,1058 0.351,1059 21.898,1060 10.735,1061 2.883,1062 11.049,1063 19.891,1064 1.951,1065 12.265,1066 15.601,1067 7.802,1068 24.3,1069 11.891,1070 2.778,1071 9.17,1072 21.717,1073 4.576,1074 13.299,1075 16.981,1076 0.312,1077 26.618,1078 12.899,1079 2.509,1080 8.761,1081 23.552,1082 3.896,1083 14.443,1084 18.508,1085 9.219,1086 29.006,1087 14.022,1088 2.374,1089 7.373,1090 25.396,1091 3.663,1092 15.529,1093 19.951,1094 0.273,1095 31.362,1096 15.087,1097 2.239,1098 6.969,1099 27.247,1100 3.442,1101 16.664,1102 21.464,1103 10.639,1104 33.749,1105 16.203,1106 2.168,1107 6.516,1108 29.103,1109 3.134,1110 17.778,1111 22.94,1112 0.236,1113 36.124,1114 17.297,1115 25305,1116 43287,1117 28.433,1118 47.392,1119 64.58,1120 67.325,1121 65.003,1122 62.683,1123 62.595,1124 83.308,1125 13.185,1126 174.359,1127 59.164,1128 5.473,1129 6.073,1130 6.543,1131 5.248,1132 5.204,1133 7.576,1134 4.069,1135 18.277,1136 5.129,1137 21.907,1138 1.502,1139 1.566,1140 1.512,1141 1.458,1142 1.456,1143 1.937,1144 0.307,1145 4.055,1146 1.376,1147 4.107,1148 4.132,1149 4.095,1150 4.025,1151 7.43,1152 4.036,1153 3.92,1154 3.945,1155 3.986,1156 3.835,1157 6.82,1158 3.837,1159 3.839,1160 3.874,1161 3.799,1162 3.747,1163 5.035,1164 3.749,1165 3.752,1166 3.809,1167 3.675,1168 3.594,1169 4.96,1170 3.604,1171 3.61,1172 3.655,1173 3.546,1174 3.461,1175 4.872,1176 3.475,1177 3.479,1178 3.546,1179 3.349,1180 3.25,1181 4.609,1182 3.25,1183 3.388,1184 3.448,1185 3.326,1186 3.205,1187 4.422,1188 3.209,1189 3.247,1190 3.291,1191 3.244,1192 3.05,1193 4.416,1194 3.062,1195 0.108,1196 0.095,1197 0.157,1198 0.097,1199 0.075,1200 4.64,1201 0.106,1202 4.073,1203 0.047,1204 6.741,1205 0.257,1206 4.181,1207 0.073,1208 3.204,1209 4.576,1210 2.035,1211 11.049,1212 3.129,1213 2.044,1214 2.024,1215 2.09,1216 2.14,1217 1.241,1218 2.127,1219 1.875,1220 1.855,1221 1.973,1222 1.996,1223 1.067,1224 1.992,1225 1.818,1226 1.783,1227 1.919,1228 1.928,1229 1.046,1230 1.93,1231 1.702,1232 1.652,1233 1.902,1234 1.901,1235 1.001,1236 1.907,1237 1.553,1238 1.516,1239 1.799,1240 1.76,1241 0.936,1242 1.765,1243 1.438,1244 1.363,1245 1.673,1246 1.69,1247 0.709,1248 1.689,1249 1.371,1250 1.305,1251 1.558,1252 1.544,1253 0.638,1254 1.556,1255 1.193,1256 1.147,1257 1.448,1258 1.431,1259 0.601,1260 1.433,1261 4.466,1263 5.765,1265 7.258,1267 8.848,1269 10.495,1271 5.7,1272 6.517,1277 1.309,1278 6.183,1279 11.605,1282 1.948,1287 9.839,1288 2.187,1289 45.422,1290 113.135,1291 277.11,1292 365.224,1293 393.224,1294 393.224,1295 393.224,1296 86.834,1297 8.434,1298 112.4,1299 112.4,1300 24,1301 12.807,1302 4.755,1303 4.044,1304 73.126,1305 206,1306 248,1307 0.166,1308 286.144,1309 502.5,1310 689.95,1311 62043,1312 1.4,1313 28.485,1314 0.712,1315 0.58,1316 28.985,1317 23.197,1318 19.372,1319 0.451,1320 0.302,1321 12.423,1322 18.312,1323 12.009,1324 10.045,1325 19.66,1326 12.966,1327 17.013,1328 0.293,1329 0.162,1330 17.384,1331 9.398,1332 13.615,1333 0.184,1334 0.081,1335 13.969,1336 5.986,1337 11.259,1338 0.117,1339 0.042,1340 11.592,1341 4.067,1342 9.3,1343 0.073,1344 0.021,1345 9.503,1346 2.713,1347 0.264,1348 124.66,1349 0.188,1350 36.24,1351 0.444,1352 202,1353 636.656,1354 236.478,1355 646.965,1356 867.74,1357 604,1358 233,1359 606.662,1360 264.931,1361 627.993,1362 909.28,1363 587,1364 5}
{0 CHEMBL1834657,1 1.729,2 16.316,3 5.343,4 28.544,5 150.96,6 8.124,7 0.439,8 4.336,9 4.459,10 3.971,11 3.804,12 5.442,13 3.8,14 4.879,15 5.072,16 4.342,17 4.18,18 5.938,19 4.158,20 5.081,21 5.27,22 4.563,23 4.381,24 6.169,25 4.338,26 5.209,27 5.41,28 4.553,29 4.472,30 6.303,31 4.366,32 5.284,33 5.532,34 4.47,35 4.393,36 6.35,37 4.293,38 5.126,39 5.363,40 4.354,41 4.275,42 6.234,43 4.19,44 5.007,45 5.219,46 4.257,47 4.22,48 6.099,49 4.128,50 4.962,51 5.174,52 4.186,53 4.148,54 6.065,55 4.078,56 0.103,57 1.031,58 13.148,59 5.647,60 9.627,61 7.538,62 0.636,63 1.567,64 28.915,65 9.087,66 36.473,67 12.417,68 0.737,69 1.85,70 38.147,71 11.546,72 44.725,73 15.787,74 0.883,75 1.955,76 50.077,77 15.381,78 73.06,79 20.563,80 1.071,81 1.948,82 58.945,83 15.877,84 98.424,85 22.305,86 1.064,87 1.739,88 42.02,89 12.197,90 84.59,91 17.271,92 0.71,93 1.526,94 47.449,95 11.795,96 64.041,97 16.015,98 0.76,99 1.498,100 35.715,101 10.455,102 67.558,103 14.042,104 59,105 57,106 0.272,107 0.579,108 0.733,109 0.803,110 0.813,111 0.813,112 3.667,113 0.945,114 -4.31,115 -4.25,116 -4.01,118 37.7,119 1,123 3,124 5,138 6,140 7,143 2,144 1,154 1,167 2,170 3,171 8,173 3,175 3,178 2,181 1,182 4,186 4,188 4,191 3,192 3,195 5,197 2,199 3,204 11,206 1,211 2,214 5,215 8,218 2,219 1,227 1,228 7,235 4,239 2,240 5,243 1,245 2,247 3,251 2,252 4,257 4,264 3000,265 25.695,266 25.695,267 25.695,268 25.695,269 25.695,270 23.31,271 41.542,272 14.812,273 26.816,274 19.95,275 19.95,276 19.95,277 19.95,278 19.95,279 16.22,280 63.434,281 6.723,282 21.646,283 4.38,284 2.429,285 1.446,286 1,287 0.942,288 0.942,289 4.358,290 2,294 1,295 1314,296 4.062,300 573.886,307 2.684,308 37.793,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 83.167,320 620,321 4.545,322 3.737,323 6.738,324 4.107,325 3.191,326 4.265,327 1.701,328 10.859,329 2.887,330 4.238,331 3.512,332 6.34,333 3.886,334 2.951,335 3.791,336 0.86,337 9.466,338 2.758,339 4.137,340 3.148,341 6.15,342 3.831,343 2.888,344 3.661,345 0.86,346 9.082,347 2.714,348 3.842,349 2.975,350 5.822,351 3.543,352 2.602,353 3.114,354 0.8,355 7.676,356 2.442,357 3.7,358 2.89,359 5.594,360 3.344,361 2.41,362 3.059,363 0.8,364 7.649,365 2.252,366 3.639,367 2.729,368 5.394,369 3.26,370 2.39,371 2.905,372 0.563,373 6.825,374 2.104,375 3.44,376 2.591,377 5.299,378 3.181,379 2.236,380 2.673,381 0.4,382 6.727,383 2.021,384 3.373,385 2.484,386 5.138,387 3.005,388 2.073,389 2.466,390 0.075,391 6.17,392 1.918,393 3.14,394 2.15,395 4.799,396 2.691,397 1.743,398 2.322,400 5.066,401 1.633,402 2.7,403 1.986,404 4.327,405 2.407,406 1.454,407 1.764,409 4.056,410 1.381,411 2.636,412 1.637,413 3.759,414 2.127,415 1.206,416 1.665,417 2.699,418 1.106,419 2.5,420 1.433,421 3.692,422 2,423 1,424 1.5,425 2.275,426 1,427 2.103,428 1.351,429 3.467,430 1.967,431 1,432 1.07,433 2.275,434 0.965,435 2,436 1.146,437 3.414,438 1.745,439 1,440 1,441 2.131,442 0.683,443 1.97,444 1.038,445 3.414,446 1.655,447 0.756,448 0.863,449 1.925,450 0.659,451 18.229,452 0.48,453 0.921,454 0.024,455 49,456 1.289,457 22.5,458 0.592,459 26.5,460 0.697,461 36.528,462 0.961,463 42.371,464 0.614,465 41.834,466 1.101,467 9.887,468 0.26,469 8.45,470 0.222,471 0.206,473 0.34,478 0.837,479 1.699,480 0.619,481 1.156,482 0.62,483 1.006,484 1.063,485 0.966,486 0.686,487 0.689,488 0.654,489 0.724,490 0.946,491 1.139,492 0.813,493 0.96,494 0.795,495 0.925,496 0.783,497 1.101,498 1.011,499 1.151,500 1.061,501 1.164,502 0.734,503 1.041,504 0.905,505 1.092,506 0.87,507 0.968,508 0.905,509 0.897,510 0.773,511 0.751,512 0.887,513 0.849,514 1.186,515 1.09,516 1.519,517 1.237,518 1.269,519 1.11,520 1.34,521 1.001,522 0.966,523 0.877,524 1.557,525 0.947,526 8,527 0.276,528 4.889,529 2.938,530 2.262,531 1.528,532 0.992,533 0.63,534 0.395,535 0.277,536 24501,537 69799,538 2.022,539 44.9,541 25,543 1,544 2,546 3,549 1.783,550 1.869,551 3.936,552 0.227,558 119.29,559 1.729,560 3.679,561 4.663,562 5.108,563 5.166,564 5.166,565 3.422,566 4.596,567 5.218,568 4.149,569 2916.68,570 9.167,571 50851.9,576 421.488,577 1.49,578 5.165,579 0.195,580 0.008,581 0.086,582 0.046,583 0.039,584 0.028,585 0.019,586 0.013,587 0.009,588 0.007,589 0.45,590 0.17,591 0.75,592 0.877,593 214.934,594 -0.064,595 -0.414,596 0.031,597 -0.164,598 -0.034,599 -0.059,600 -0.037,601 0.186,602 0.092,603 0.23,604 0.07,605 0.189,606 0.016,607 -0.009,608 0.081,609 0.009,610 0.081,611 0.021,612 0.131,613 -0.06,614 -0.004,615 -0.124,616 0.042,617 -0.165,618 0.2,619 -0.117,620 0.126,621 -0.089,622 0.216,623 0.047,624 0.131,625 0.111,626 0.095,627 0.174,628 0.187,629 0.098,630 -0.141,631 -0.086,632 -0.219,633 -0.187,634 -0.088,635 -0.112,636 -0.176,637 0.023,638 -0.072,639 0.07,640 -0.164,641 -0.007,642 2.179,643 6.041,644 0.632,645 50.942,646 1.012,647 1.136,648 3.08,649 9.484,650 0.667,651 3.738,652 4.06,653 4.344,654 4.543,655 4.771,656 4.812,657 4.86,658 4.89,659 4.97,660 5.088,661 9.307,662 0.635,663 560.54,664 3.738,665 5.283,666 6.138,667 7.009,668 7.877,669 8.752,670 9.624,671 10.5,672 11.373,673 12.251,674 10.1,677 1,680 1,681 2,682 1,684 2,690 7,691 2,695 9,697 18,709 1,711 1,714 2,715 2,716 69,718 19,719 2,720 41,722 72,723 26,724 16,725 7,726 5,728 4,729 4,730 2,731 1,732 1,740 17,741 9,744 1,749 1,753 1,760 31,761 10,762 2,763 12,764 2,769 7,775 1,776 3,788 1,794 4,816 1,819 4,823 4,824 2,827 38,833 5,834 2,835 2,838 3,849 2,850 4.3,853 1,855 2,858 20.333,859 13.619,860 8.611,861 4.002,863 3.383,864 1.411,865 0.962,866 9.784,867 11.607,868 3.951,869 4.516,870 5.051,871 5.552,872 6.066,873 6.211,874 6.43,875 6.711,876 6.984,877 7.325,878 0.909,879 64,880 14.016,881 5.817,882 7.747,883 26.581,884 21.034,885 2.247,886 85.389,890 341.362,891 149.682,892 78.966,893 78.297,894 47.145,897 149.682,898 466.804,899 78.966,900 38.988,901 31.664,902 56.857,903 70.487,904 80.636,905 8.932,906 329.591,907 78.297,908 341.362,909 228.648,910 47.145,911 78.297,913 306.049,914 82.458,917 70.242,918 124.834,919 111.868,921 341.362,922 126.11,923 227.98,926 341.362,927 45.218,928 113.837,929 36.022,930 159.013,931 341.362,932 126.11,933 227.98,935 0.58,936 0.358,937 0.184,938 0.1,939 25,940 13,941 0.111,942 8,944 1,945 4.757,946 358.627,948 24,949 181.421,954 28.513,955 13.04,956 6.754,958 126.11,959 12.832,960 8.524,964 4.08,966 36.022,967 695.452,968 51,973 13.041,977 -0.513,980 69.829,981 78.402,983 0.283,984 0.602,985 0.763,986 0.836,987 0.846,988 0.846,989 5.201,990 2.073,991 6.129,992 6.727,993 4.745,994 5.204,995 2.454,996 6.942,997 4.585,998 6.395,999 1.743,1000 7.7,1001 6.17,1002 4.369,1003 5.027,1004 1.494,1005 7.854,1006 4.099,1007 7.7,1008 1.454,1009 9.368,1010 5.066,1011 6.354,1012 7.343,1013 2.739,1014 10.93,1015 6.049,1016 9.038,1017 1.206,1018 11.09,1019 4.056,1020 6.781,1021 7.951,1022 2.523,1023 12.619,1024 6.346,1025 10.406,1026 1,1027 12.847,1028 2.699,1029 8.231,1030 9.772,1031 3.458,1032 15.229,1033 7.769,1034 11.793,1035 1,1036 14.627,1037 2.275,1038 9.018,1039 10.748,1040 3.619,1041 17.257,1042 8.427,1043 13.197,1044 1,1045 16.423,1046 2.275,1047 10.261,1048 12.365,1049 4.377,1050 19.706,1051 9.63,1052 3.191,1053 0.756,1054 18.233,1055 2.131,1056 11.221,1057 13.538,1058 4.719,1059 21.898,1060 10.469,1061 2.951,1062 10.859,1063 20.054,1064 1.925,1065 12.383,1066 15.058,1067 5.377,1068 24.288,1069 11.575,1070 2.888,1071 9.466,1072 21.883,1073 4.265,1074 13.427,1075 16.343,1076 5.808,1077 26.563,1078 12.507,1079 2.602,1080 9.082,1081 23.72,1082 3.791,1083 14.56,1084 17.815,1085 6.41,1086 28.933,1087 13.569,1088 2.41,1089 7.676,1090 25.563,1091 3.661,1092 15.646,1093 19.164,1094 6.887,1095 31.252,1096 14.55,1097 2.39,1098 7.649,1099 27.413,1100 3.114,1101 16.772,1102 20.614,1103 7.458,1104 33.617,1105 15.593,1106 2.236,1107 6.825,1108 29.267,1109 3.059,1110 17.88,1111 22,1112 7.96,1113 35.96,1114 16.599,1115 23569,1116 40289,1117 26.759,1118 46.017,1119 60.772,1120 63.042,1121 64.294,1122 60.698,1123 60.498,1124 75.188,1125 12.12,1126 174.522,1127 55.409,1128 5.545,1129 5.737,1130 6.289,1131 5.191,1132 5.191,1133 7.265,1134 2.972,1135 18.369,1136 4.887,1137 22.696,1138 1.482,1139 1.538,1140 1.568,1141 1.48,1142 1.476,1143 1.834,1144 0.296,1145 4.257,1146 1.351,1147 4.007,1148 4.052,1149 4.126,1150 3.892,1151 7.43,1152 3.9,1153 3.933,1154 3.952,1155 3.928,1156 3.848,1157 5.075,1158 3.852,1159 3.844,1160 3.898,1161 3.799,1162 3.66,1163 5.007,1164 3.688,1165 3.74,1166 3.798,1167 3.636,1168 3.575,1169 4.743,1170 3.58,1171 3.483,1172 3.542,1173 3.603,1174 3.212,1175 4.708,1176 3.249,1177 3.381,1178 3.469,1179 3.425,1180 3.18,1181 4.539,1182 3.173,1183 3.307,1184 3.355,1185 3.233,1186 3.03,1187 4.441,1188 3.047,1189 3.209,1190 3.286,1191 3.193,1192 2.952,1193 4.354,1194 2.957,1195 0.111,1196 0.091,1197 0.164,1198 0.1,1199 0.078,1200 4.545,1201 0.104,1202 3.737,1203 0.041,1204 6.738,1205 0.265,1206 4.107,1207 0.07,1208 3.191,1209 4.265,1210 1.701,1211 10.859,1212 2.887,1213 1.929,1214 1.892,1215 2.053,1216 2.077,1217 1.322,1218 2.073,1219 1.866,1220 1.861,1221 1.94,1222 2.009,1223 1.075,1224 1.985,1225 1.769,1226 1.712,1227 1.887,1228 1.957,1229 1.06,1230 1.946,1231 1.702,1232 1.642,1233 1.827,1234 1.878,1235 0.92,1236 1.876,1237 1.403,1238 1.318,1239 1.727,1240 1.665,1241 0.864,1242 1.672,1243 1.353,1244 1.285,1245 1.597,1246 1.616,1247 0.825,1248 1.623,1249 1.224,1250 1.164,1251 1.586,1252 1.554,1253 0.616,1254 1.562,1255 1.161,1256 1.08,1257 1.526,1258 1.457,1259 0.583,1260 1.485,1261 4.419,1263 5.74,1265 7.263,1267 8.873,1269 10.526,1271 6.696,1272 12.776,1277 5.272,1278 5.985,1279 10.528,1282 6.167,1289 43.798,1290 119.29,1291 253.855,1292 321.74,1293 352.469,1294 356.469,1295 356.469,1296 77.639,1297 8.224,1298 95.09,1299 95.09,1300 24,1301 12.789,1302 4.322,1303 3.459,1304 68.001,1305 213,1306 246,1307 0.152,1308 277.538,1309 483.61,1310 668.953,1311 51801,1312 2.9,1313 27.233,1314 0.717,1315 0.613,1316 28.233,1317 23.306,1318 18.337,1319 0.447,1320 0.315,1321 11.959,1322 16.85,1323 11.528,1324 9.593,1325 18.915,1326 12.909,1327 16.025,1328 0.281,1329 0.165,1330 16.691,1331 9.384,1332 14.294,1333 0.188,1334 0.094,1335 15.194,1336 7.181,1337 11.07,1338 0.119,1339 0.051,1340 11.929,1341 4.71,1342 8.846,1343 0.076,1344 0.026,1345 9.392,1346 2.995,1347 0.248,1348 122.717,1349 0.193,1350 35.081,1351 0.395,1352 196,1353 624.505,1354 249.803,1355 652.218,1356 870.33,1357 610,1358 231,1359 592.988,1360 283.953,1361 619.213,1362 905.84,1363 577,1364 5}
{0 CHEMBL1908391,1 1.54,2 16.667,3 4.475,4 20.029,5 146.666,6 7.556,7 0.575,8 4.28,9 4.407,10 3.903,11 3.864,12 5.339,13 3.817,14 4.812,15 4.999,16 4.255,17 4.246,18 5.814,19 4.182,20 5.037,21 5.241,22 4.236,23 4.383,24 6.005,25 4.278,26 5.175,27 5.434,28 4.202,29 4.381,30 6.092,31 4.232,32 5.086,33 5.353,34 4.21,35 4.309,36 5.994,37 4.17,38 4.875,39 5.072,40 4.12,41 4.257,42 5.876,43 4.129,44 4.947,45 5.191,46 3.976,47 4.197,48 5.882,49 4.063,50 4.807,51 5.025,52 3.998,53 4.113,54 5.832,55 4.011,56 0.043,57 1.016,58 13.973,59 5.934,60 9.96,61 7.836,62 0.303,63 1.668,64 27.936,65 9.47,66 24.758,67 13.038,68 0.251,69 1.964,70 33.846,71 12.832,72 34.462,73 17.464,74 0.369,75 2.105,76 42.94,77 15.603,78 55.382,79 21.355,80 0.403,81 1.937,82 44.21,83 14.615,84 51.009,85 19.32,86 0.315,87 1.685,88 33.664,89 12.227,90 36.653,91 15.636,92 0.338,93 1.669,94 35.001,95 12.794,96 42.861,97 17.207,98 0.283,99 1.47,100 28.205,101 10.532,102 40.085,103 14.224,104 10,105 55,106 0.242,107 0.57,108 0.746,109 0.823,110 0.855,111 0.855,112 3.615,113 0.972,114 -4.35,115 -4.29,116 -4.05,118 42.4,119 1,123 1,124 5,138 9,139 4,140 2,141 2,142 1,147 1,153 1,157 1,167 11,171 6,173 2,175 6,178 11,181 1,182 6,186 5,188 7,191 1,192 9,196 1,197 5,199 5,204 7,208 3,211 8,215 4,218 3,220 3,223 10,227 1,228 3,231 1,233 2,235 11,239 1,240 5,245 3,247 11,252 6,257 2,260 8,264 2730,265 24.549,266 24.549,267 24.549,268 24.549,269 24.549,270 21.675,271 30.255,272 14.579,273 25.183,274 19.776,275 19.776,276 19.776,277 19.776,278 19.776,279 15.497,280 48.345,281 7.021,282 20.793,283 4.505,284 2.417,285 1.296,286 0.803,287 0.599,288 0.599,289 4.323,294 1,295 1323,296 3.317,299 108.605,300 541.861,307 2.722,308 22.582,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 76,320 600,321 4.332,322 3.573,323 6.199,324 3.932,325 2.973,326 3.988,327 1.058,328 9.294,329 2.887,330 4.249,331 3.081,332 6.114,333 3.861,334 2.885,335 3.88,336 0.916,337 8.965,338 2.802,339 4.164,340 3.044,341 6.032,342 3.785,343 2.797,344 3.759,345 0.8,346 8.625,347 2.757,348 3.818,349 2.885,350 5.588,351 3.604,352 2.657,353 3.253,354 0.4,355 7.698,356 2.52,357 3.73,358 2.687,359 5.31,360 3.337,361 2.386,362 3.117,363 0.172,364 6.852,365 2.266,366 3.544,367 2.445,368 5.205,369 3.227,370 2.311,371 2.782,373 6.481,374 2.111,375 3.434,376 2.334,377 5.127,378 3.08,379 2.123,380 2.55,382 6.247,383 2.002,384 3.128,385 2.269,386 4.806,387 2.861,388 1.928,389 2.366,391 5.438,392 1.785,393 3.033,394 1.869,395 4.376,396 2.667,397 1.719,398 2.052,400 4.299,401 1.624,402 2.831,403 1.795,404 4.126,405 2.377,406 1.414,407 1.965,409 3.631,410 1.352,411 2.744,412 1.509,413 4.045,414 2.282,415 1.265,416 1.75,417 3.363,418 1.276,419 2.527,420 1.146,421 3.485,422 2.01,423 1.058,424 1.54,425 2.587,426 1,427 2.5,428 1.085,429 3.414,430 2,431 1,432 1.5,433 2.275,434 0.999,435 2.5,436 1,437 3.414,438 1.967,439 1,440 1.5,441 2.275,442 0.965,443 2.169,444 1,445 3.265,446 1.954,447 1,448 1.007,449 2.136,450 0.951,451 17.567,452 0.488,453 0.814,454 0.023,455 48.25,456 1.34,457 24.5,458 0.681,459 23.75,460 0.66,461 30.923,462 0.859,463 37.633,464 0.57,465 37.039,466 1.029,467 9.517,468 0.264,469 8.013,470 0.223,471 0.076,473 0.302,478 0.847,479 1.335,480 0.773,481 0.989,482 0.621,483 0.935,484 1.017,485 1.057,486 0.905,487 0.904,488 0.59,489 0.866,490 1.054,491 1.176,492 1.004,493 1.09,494 0.864,495 1.136,496 0.966,497 0.962,498 0.868,499 0.927,500 0.981,501 0.975,502 1.191,503 0.818,504 0.961,505 0.818,506 1.229,507 0.738,508 0.919,509 1.09,510 1.331,511 1.281,512 1.023,513 1.152,514 0.965,515 0.934,516 0.988,517 0.989,518 1.209,519 0.973,520 1.103,521 1.006,522 0.833,523 0.954,524 1.479,525 0.981,526 7.5,527 0.197,528 3.556,529 1.847,530 1.779,531 0.934,532 0.696,533 0.635,534 0.349,535 0.263,536 23949,537 56104,538 2.137,539 45.5,540 3,541 22,542 1,543 2,544 2,549 1.769,550 2.038,551 3.996,552 0.148,558 101.608,559 1.54,560 3.627,561 4.748,562 5.241,563 5.446,564 5.446,565 3.51,566 4.649,567 5.137,568 4.174,569 2629.52,570 9.002,571 45020.9,576 398.93,577 1.256,578 5.118,579 0.188,580 0.006,581 0.065,582 0.035,583 0.038,584 0.019,585 0.015,586 0.015,587 0.009,588 0.007,589 0.396,590 0.17,591 0.75,592 0.442,593 201.777,594 -0.023,595 -0.183,596 0.073,597 -0.017,598 -0.025,599 0.008,600 0.017,601 0.069,602 0.045,603 0.057,604 0.085,605 0.067,606 -0.093,607 -0.138,608 -0.136,609 -0.159,610 0.003,611 -0.182,612 0.029,613 -0.016,614 0.082,615 0.03,616 0.076,617 0.014,618 -0.053,619 0.147,620 0.193,621 0.243,622 0.016,623 0.266,624 0.04,625 -0.031,626 -0.178,627 -0.164,628 -0.035,629 -0.156,630 0.046,631 0.015,632 -0.012,633 0.003,634 -0.014,635 0.026,636 0.039,637 -0.039,638 0.045,639 -0.014,640 -0.003,641 -0.007,642 1.788,643 5.903,644 0.806,645 51.028,646 0.994,647 1.123,648 3.124,649 9.76,650 0.686,651 3.714,652 4.025,653 4.263,654 4.489,655 4.71,656 4.718,657 4.844,658 4.977,659 5.043,660 5.142,661 9.392,662 0.642,663 498.71,664 3.714,665 5.252,666 6.089,667 6.95,668 7.799,669 8.661,670 9.516,671 10.378,672 11.235,673 12.098,674 9.1,677 2,681 1,682 1,684 2,690 12,691 2,694 1,695 8,697 23,704 1,709 1,716 66,718 24,719 2,720 40,722 70,723 28,724 20,725 5,726 7,727 1,728 5,729 5,732 1,740 21,741 7,744 1,749 1,753 1,760 30,761 7,762 2,763 8,764 1,769 6,775 1,776 1,787 1,793 1,794 4,816 2,819 5,821 1,823 2,827 36,833 5,834 2,838 2,844 1,850 1.5,853 1,858 17.667,859 12.383,860 7.833,861 3.857,863 4.188,864 1.501,865 1.011,866 7.711,867 12.546,868 3.98,869 4.551,870 5.082,871 5.617,872 6.097,873 6.281,874 6.643,875 7.001,876 7.329,877 7.661,878 1,879 53,880 13.307,881 5.595,882 7.565,883 25.904,884 21.283,885 2.065,886 74.333,890 329.591,891 196.276,892 75.841,894 25.145,896 31.278,897 164.998,898 354.736,899 75.841,900 17.222,901 28.539,902 92.935,903 86.963,904 63.868,905 11.771,906 325.555,908 329.591,909 240.839,910 25.145,911 31.278,913 329.591,914 25.145,917 82.976,918 124.292,919 33.571,920 31.278,921 329.591,922 100.986,923 196.276,926 329.591,927 68.024,928 134.5,929 36.022,930 58.716,931 329.591,932 100.986,933 196.276,935 0.581,936 0.331,937 0.172,938 0.097,939 26,940 11,941 0.1,942 7,944 1,945 4.888,946 331.774,948 29,949 178.117,950 1,954 24.572,955 11.297,956 6.371,958 100.986,959 23.234,960 8.849,963 1.535,964 7.236,966 36.022,967 626.853,968 52.5,973 12.903,977 -0.121,980 65.618,981 74.102,983 0.255,984 0.6,985 0.786,986 0.867,987 0.901,988 0.901,989 5.208,990 1.928,991 6.057,992 6.247,993 4.71,994 5.239,995 1.796,996 6.812,997 4.62,998 6.393,999 1.719,1000 7.58,1001 5.438,1002 4.205,1003 4.89,1004 0.57,1005 7.554,1006 4.092,1007 7.676,1008 1.414,1009 9.195,1010 4.299,1011 6.26,1012 7.355,1013 1.605,1014 10.608,1015 6.097,1016 8.99,1017 1.265,1018 10.863,1019 3.631,1020 6.553,1021 7.817,1022 0.581,1023 12.146,1024 6.372,1025 10.333,1026 1.058,1027 12.565,1028 3.363,1029 8.054,1030 9.736,1031 1.567,1032 14.684,1033 7.834,1034 11.696,1035 1,1036 14.29,1037 2.587,1038 8.721,1039 10.592,1040 0.515,1041 16.567,1042 8.486,1043 13.075,1044 1,1045 16.03,1046 2.275,1047 9.983,1048 12.258,1049 1.582,1050 18.907,1051 9.714,1052 2.973,1053 1,1054 17.783,1055 2.275,1056 10.841,1057 13.328,1058 0.441,1059 20.953,1060 10.556,1061 2.885,1062 9.294,1063 19.546,1064 2.136,1065 11.991,1066 14.86,1067 1.624,1068 23.211,1069 11.676,1070 2.797,1071 8.965,1072 21.316,1073 3.988,1074 12.947,1075 16.052,1076 0.373,1077 25.337,1078 12.614,1079 2.657,1080 8.625,1081 23.091,1082 3.88,1083 14.047,1084 17.51,1085 1.682,1086 27.561,1087 13.686,1088 2.386,1089 7.698,1090 24.873,1091 3.759,1092 15.054,1093 18.772,1094 0.314,1095 29.726,1096 14.672,1097 2.311,1098 6.852,1099 26.658,1100 3.253,1101 16.131,1102 20.189,1103 1.752,1104 31.937,1105 15.723,1106 2.123,1107 6.481,1108 28.447,1109 3.117,1110 17.165,1111 21.494,1112 0.264,1113 34.122,1114 16.734,1115 22116,1116 34149,1117 27.334,1118 45.273,1119 60.044,1120 60.427,1121 60.336,1122 59.378,1123 59.424,1124 77.22,1125 6.694,1126 166.135,1127 56.659,1128 5.332,1129 5.573,1130 6.001,1131 5.046,1132 4.973,1133 6.988,1134 2.117,1135 15.614,1136 4.887,1137 14.416,1138 1.501,1139 1.511,1140 1.508,1141 1.484,1142 1.486,1143 1.93,1144 0.167,1145 4.153,1146 1.416,1147 4.027,1148 4.062,1149 4.233,1150 3.955,1151 7.429,1152 3.943,1153 3.942,1154 3.977,1155 3.933,1156 3.88,1157 4.977,1158 3.865,1159 3.89,1160 3.928,1161 3.835,1162 3.821,1163 4.798,1164 3.816,1165 3.794,1166 3.855,1167 3.742,1168 3.604,1169 4.711,1170 3.614,1171 3.634,1172 3.667,1173 3.683,1174 3.589,1175 4.654,1176 3.535,1177 3.41,1178 3.465,1179 3.336,1180 3.213,1181 4.378,1182 3.233,1183 3.241,1184 3.334,1185 3.081,1186 3.036,1187 4.033,1188 3.029,1189 3.111,1190 3.206,1191 2.911,1192 2.941,1193 3.913,1194 2.91,1195 0.108,1196 0.089,1197 0.155,1198 0.098,1199 0.074,1200 4.332,1201 0.1,1202 3.573,1203 0.026,1204 6.199,1205 0.232,1206 3.932,1207 0.072,1208 2.973,1209 3.988,1210 1.058,1211 9.294,1212 2.887,1213 1.953,1214 1.927,1215 2.065,1216 2.068,1217 1.323,1218 2.07,1219 1.903,1220 1.874,1221 2.02,1222 2.021,1223 1.16,1224 2.023,1225 1.847,1226 1.814,1227 1.951,1228 1.963,1229 1.125,1230 1.962,1231 1.752,1232 1.681,1233 1.947,1234 1.937,1235 0.997,1236 1.947,1237 1.352,1238 1.319,1239 1.591,1240 1.595,1241 0.825,1242 1.589,1243 1.3,1244 1.283,1245 1.547,1246 1.491,1247 0.735,1248 1.504,1249 1.254,1250 1.198,1251 1.513,1252 1.466,1253 0.619,1254 1.461,1255 1.22,1256 1.134,1257 1.398,1258 1.376,1259 0.559,1260 1.429,1261 4.394,1263 5.707,1264 2.398,1265 7.201,1266 4.595,1267 8.771,1268 6.581,1269 10.379,1271 4.194,1277 5.273,1278 6.421,1282 4.81,1289 42.352,1290 101.608,1291 239.381,1292 313.381,1293 345.91,1294 359.42,1295 359.42,1296 53.723,1297 8.358,1298 73.39,1299 101.63,1300 29,1301 12.647,1302 4.644,1303 3.755,1304 54.839,1305 202,1306 216,1307 0.127,1308 263.153,1309 449.18,1310 633.854,1311 63861,1313 24.907,1314 0.692,1315 0.594,1316 25.261,1317 21.386,1318 17.53,1319 0.438,1320 0.324,1321 12.011,1322 16.537,1323 11.568,1324 9.629,1325 17.984,1326 12.961,1327 15.845,1328 0.288,1329 0.182,1330 16.422,1331 10.023,1332 13.209,1333 0.189,1334 0.102,1335 13.848,1336 7.174,1337 10.592,1338 0.12,1339 0.056,1340 11.326,1341 4.889,1342 8.735,1343 0.079,1344 0.032,1345 9.366,1346 3.524,1347 0.209,1348 113.333,1349 0.191,1350 33.937,1351 0.326,1352 190,1353 491.842,1354 227.044,1355 508.434,1356 702.74,1357 478,1358 220,1359 505.346,1360 253.356,1361 534.756,1362 775.35,1363 500,1364 5}
{0 CHEMBL1908392,1 1.468,2 14.139,3 4.725,4 22.326,5 143.007,6 7.189,7 0.55,8 4.296,9 4.422,10 3.839,11 3.839,12 5.374,13 3.814,14 4.829,15 5.017,16 4.193,17 4.236,18 5.841,19 4.191,20 5.082,21 5.287,22 4.266,23 4.404,24 6.091,25 4.326,26 5.194,27 5.429,28 4.24,29 4.417,30 6.189,31 4.315,32 5.191,33 5.436,34 4.277,35 4.386,36 6.24,37 4.315,38 5.107,39 5.294,40 4.281,41 4.439,42 6.214,43 4.362,44 5.207,45 5.442,46 4.18,47 4.463,48 6.186,49 4.337,50 5.154,51 5.421,52 3.926,53 4.318,54 6.018,55 4.158,56 0.05,57 0.996,58 14.24,59 5.91,60 11.343,61 8.044,62 0.309,63 1.633,64 26.445,65 9.271,66 23.903,67 13.296,68 0.387,69 1.987,70 35.058,71 12.805,72 38.967,73 17.929,74 0.358,75 2.094,76 40.579,77 15.014,78 57.73,79 21.288,80 0.497,81 2.048,82 41.823,83 13.987,84 72.416,85 19.646,86 0.429,87 1.978,88 35.939,89 13.536,90 64.075,91 18.251,92 0.348,93 2.119,94 40.822,95 15.806,96 62.944,97 22.335,98 0.384,99 1.941,100 40.207,101 14.942,102 58.33,103 21.447,104 17,105 56,106 0.23,107 0.542,108 0.68,109 0.797,110 0.838,111 0.838,112 3.616,113 0.916,114 -4.14,115 -4.09,116 -3.87,118 43.3,123 2,124 5,138 13,139 3,140 2,148 1,149 1,152 1,153 1,167 13,170 1,171 6,174 1,175 4,178 14,181 3,182 7,186 3,188 12,192 5,195 2,197 5,199 10,203 1,204 7,208 6,211 17,214 2,215 3,220 8,223 20,227 1,228 2,233 6,235 19,239 1,240 5,247 12,252 7,255 2,260 3,264 2470,265 24.499,266 24.499,267 24.499,268 24.499,269 24.499,270 21.627,271 26.138,272 14.482,273 24.952,274 19.744,275 19.744,276 19.744,277 19.744,278 19.744,279 15.418,280 36.272,281 6.91,282 20.467,283 4.598,284 2.6,285 1.72,286 0.972,287 0.709,288 0.709,289 4.321,294 1,295 1121,296 3.937,299 90.437,300 513.421,303 169.554,307 2.179,308 27.518,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 76.5,320 509,321 4.707,322 3.757,323 6.985,324 4.271,325 3.294,326 4.626,327 1.989,328 11.89,329 3.219,330 4.238,331 3.412,332 6.342,333 3.919,334 2.962,335 3.835,336 0.835,337 9.444,338 2.832,339 4.139,340 2.936,341 6.132,342 3.722,343 2.746,344 3.642,345 0.8,346 8.965,347 2.683,348 3.821,349 2.898,350 5.49,351 3.546,352 2.61,353 3.167,354 0.6,355 7.348,356 2.458,357 3.605,358 2.71,359 5.401,360 3.371,361 2.4,362 3.006,363 0.543,364 6.867,365 2.306,366 3.553,367 2.444,368 5.322,369 3.11,370 2.14,371 2.712,373 6.439,374 2.079,375 3.347,376 2.365,377 5.01,378 3.045,379 2.109,380 2.537,382 5.9,383 1.977,384 3.205,385 2.27,386 4.795,387 2.777,388 1.822,389 2.432,391 5.119,392 1.724,393 3.016,394 1.915,395 4.77,396 2.698,397 1.732,398 2.213,400 4.998,401 1.659,402 2.96,403 1.566,404 4.279,405 2.5,406 1.51,407 1.984,409 3.765,410 1.492,411 2.83,412 1.396,413 3.612,414 2.339,415 1.354,416 1.982,417 2.934,418 1.329,419 2.564,420 1.327,421 3.548,422 2.019,423 1.04,424 1.524,425 2.583,426 1.015,427 2.5,428 1.146,429 3.526,430 2,431 1,432 1.5,433 2.275,434 1,435 2.5,436 1.117,437 3.414,438 2,439 1,440 1.5,441 2.275,442 1,443 2.064,444 1,445 3.414,446 1.967,447 1,448 1,449 2.136,450 0.965,451 17.167,452 0.477,453 0.853,454 0.024,455 48.25,456 1.34,457 24.5,458 0.681,459 23.75,460 0.66,461 30.662,462 0.852,463 38.033,464 0.568,465 40.849,466 1.135,467 9.805,468 0.272,469 7.686,470 0.213,471 0.097,473 0.332,478 0.878,479 1.391,480 0.825,481 1.08,482 0.734,483 0.966,484 0.94,485 1.047,486 0.906,487 0.863,488 0.574,489 0.858,490 1.059,491 1.034,492 1.051,493 1.027,494 0.964,495 1.03,496 0.91,497 1.088,498 0.935,499 1.062,500 0.993,501 1.013,502 1.435,503 0.779,504 0.875,505 0.728,506 1.506,507 0.729,508 1.401,509 1.029,510 1.141,511 1.047,512 1.583,513 1.068,514 0.829,515 1.04,516 1.031,517 1.092,518 0.783,519 1.09,520 0.866,521 0.931,522 1.045,523 1.013,524 0.914,525 1.048,526 6.5,527 0.231,528 4,529 2.729,530 2.178,531 1.427,532 0.791,533 0.415,534 0.41,535 0.335,536 20863,537 47913,538 2.12,539 46.3,541 29,544 2,549 1.774,550 2,551 3.681,552 0.121,558 98.357,559 1.468,560 3.466,561 4.346,562 5.094,563 5.357,564 5.357,565 3.155,566 4.649,567 5.14,568 3.925,569 2473.04,570 9.034,571 39940,576 406.428,577 1.352,578 5.109,579 0.162,580 0.007,581 0.071,582 0.047,583 0.04,584 0.024,585 0.013,586 0.008,587 0.011,588 0.01,589 0.394,590 0.33,591 0.75,592 0.496,593 197.391,594 -0.04,595 -0.214,596 0.056,597 -0.047,598 -0.066,599 0.003,600 0.009,601 0.109,602 0.035,603 0.104,604 0.043,605 0.082,606 -0.033,607 0.041,608 -0.092,609 -0.046,610 -0.017,611 -0.07,612 0.058,613 -0.104,614 0.044,615 -0.069,616 0.063,617 -0.024,618 -0.106,619 0.207,620 0.151,621 0.232,622 -0.03,623 0.229,624 -0.143,625 0.014,626 -0.174,627 -0.045,628 -0.145,629 -0.105,630 -0.012,631 -0.063,632 -0.073,633 -0.079,634 0.012,635 -0.083,636 -0.053,637 0.006,638 -0.062,639 -0.016,640 -0.096,641 -0.038,642 1.593,643 5.87,644 0.75,645 40.701,646 0.995,647 1.124,648 2.914,649 8.489,650 0.669,651 3.714,652 4.043,653 4.331,654 4.605,655 4.852,656 4.89,657 5.043,658 5.17,659 5.236,660 5.303,661 8.169,662 0.633,663 481.65,664 3.714,665 5.263,666 6.12,667 7.002,668 7.879,669 8.768,670 9.653,671 10.546,672 11.437,673 12.333,674 7.5,677 2,681 1,682 1,683 1,689 2,690 13,692 1,695 5,697 22,700 1,713 1,716 67,718 24,719 3,720 40,722 71,723 29,724 20,725 5,726 13,727 1,728 5,729 6,740 22,741 7,744 2,749 1,752 1,753 2,760 31,761 6,762 2,763 7,769 5,775 0.8,776 2,789 1,793 1,794 4,797 1,808 1,816 2,819 4,823 2,827 36,832 1,833 5,838 3,850 3,852 1,853 1,858 18,859 12.5,860 7.861,861 3.921,863 3.698,864 1.46,865 0.995,866 7.19,867 11.742,868 3.989,869 4.588,870 5.194,871 5.81,872 6.368,873 6.687,874 7.187,875 7.655,876 7.991,877 8.398,878 1,879 58,880 13.343,881 5.685,882 7.639,883 25.778,884 21.313,885 2.139,886 77,890 341.362,891 174.576,892 42.944,894 67.828,897 174.576,898 409.19,899 42.944,900 16.793,901 13.653,902 123.191,903 75.29,904 54.277,905 2.144,906 341.362,908 341.362,909 217.52,910 67.828,913 341.362,914 67.828,917 53.473,918 164.047,921 341.362,922 110.772,923 174.576,926 341.362,927 34.592,928 149.357,929 16.786,930 84.614,931 341.362,932 110.772,933 174.576,935 0.582,936 0.343,937 0.187,938 0.107,939 27,940 12,941 0.085,942 6,943 1,944 1.074,945 4.645,946 350.416,947 0.074,948 27,949 174.117,954 24.262,955 10.668,956 5.39,957 1.757,958 93.987,959 25.284,961 3.059,964 3.22,966 59.469,967 626.71,968 53,973 12.87,976 4.949,977 0.752,980 66.65,981 75.308,983 0.242,984 0.571,985 0.716,986 0.84,987 0.883,988 0.883,989 5.228,990 1.822,991 6.103,992 5.9,993 4.727,994 5.276,995 2.386,996 6.919,997 4.658,998 6.43,999 1.732,1000 7.663,1001 5.119,1002 4.29,1003 5.017,1004 1.803,1005 7.832,1006 4.167,1007 7.733,1008 1.51,1009 9.326,1010 4.998,1011 6.323,1012 7.469,1013 3.144,1014 10.965,1015 6.185,1016 9.072,1017 1.354,1018 11.051,1019 3.765,1020 6.723,1021 8.087,1022 3.237,1023 12.764,1024 6.54,1025 10.447,1026 1.04,1027 12.817,1028 2.934,1029 8.215,1030 9.999,1031 4.307,1032 15.426,1033 8.017,1034 11.848,1035 1,1036 14.613,1037 2.583,1038 9.009,1039 11.061,1040 4.691,1041 17.605,1042 8.776,1043 13.271,1044 1,1045 16.432,1046 2.275,1047 10.286,1048 12.742,1049 5.594,1050 20.119,1051 10.036,1052 3.294,1053 1,1054 18.269,1055 2.275,1056 11.273,1057 14.035,1058 6.118,1059 22.463,1060 10.995,1061 2.962,1062 11.89,1063 20.121,1064 2.136,1065 12.467,1066 15.615,1067 6.925,1068 24.935,1069 12.171,1070 2.746,1071 9.444,1072 21.985,1073 4.626,1074 13.547,1075 17.026,1076 7.524,1077 27.349,1078 13.226,1079 2.61,1080 8.965,1081 23.86,1082 3.835,1083 14.714,1084 18.566,1085 8.277,1086 29.812,1087 14.374,1088 2.4,1089 7.348,1090 25.744,1091 3.642,1092 15.838,1093 20.036,1094 8.915,1095 32.257,1096 15.477,1097 2.14,1098 6.867,1099 27.635,1100 3.167,1101 17.001,1102 21.562,1103 9.639,1104 34.721,1105 16.619,1106 2.109,1107 6.439,1108 29.533,1109 3.006,1110 18.149,1111 23.06,1112 10.3,1113 37.181,1114 17.747,1115 19451,1116 29678,1117 27.046,1118 44.836,1119 60.927,1120 61.273,1121 61.936,1122 60.111,1123 59.98,1124 78.56,1125 9.532,1126 172.334,1127 57.922,1128 5.707,1129 5.757,1130 6.787,1131 5.338,1132 5.294,1133 7.626,1134 3.465,1135 19.314,1136 5.219,1137 16.344,1138 1.523,1139 1.532,1140 1.548,1141 1.503,1142 1.5,1143 1.964,1144 0.238,1145 4.308,1146 1.448,1147 4.148,1148 4.176,1149 4.116,1150 4.064,1151 7.427,1152 4.073,1153 3.951,1154 3.992,1155 3.895,1156 3.862,1157 6.473,1158 3.864,1159 3.866,1160 3.916,1161 3.795,1162 3.796,1163 4.953,1164 3.791,1165 3.83,1166 3.881,1167 3.724,1168 3.639,1169 4.806,1170 3.651,1171 3.545,1172 3.6,1173 3.462,1174 3.347,1175 4.708,1176 3.363,1177 3.434,1178 3.477,1179 3.352,1180 3.286,1181 4.398,1182 3.3,1183 3.248,1184 3.348,1185 3.122,1186 3.014,1187 4.323,1188 3.029,1189 3.128,1190 3.206,1191 2.998,1192 2.941,1193 4.131,1194 2.934,1195 0.118,1196 0.094,1197 0.175,1198 0.107,1199 0.082,1200 4.707,1201 0.116,1202 3.757,1203 0.05,1204 6.985,1205 0.297,1206 4.271,1207 0.08,1208 3.294,1209 4.626,1210 1.989,1211 11.89,1212 3.219,1213 1.975,1214 1.953,1215 2.062,1216 2.061,1217 1.307,1218 2.061,1219 1.901,1220 1.872,1221 2.011,1222 2.028,1223 1.181,1224 2.029,1225 1.864,1226 1.835,1227 1.997,1228 1.991,1229 1.097,1230 1.995,1231 1.783,1232 1.71,1233 1.973,1234 1.949,1235 1.06,1236 1.96,1237 1.515,1238 1.478,1239 1.689,1240 1.733,1241 0.831,1242 1.716,1243 1.444,1244 1.39,1245 1.584,1246 1.679,1247 0.825,1248 1.657,1249 1.214,1250 1.115,1251 1.561,1252 1.502,1253 0.678,1254 1.527,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.643,1260 1.429,1261 4.394,1263 5.72,1264 2.398,1265 7.241,1266 4.844,1267 8.845,1268 7.034,1269 10.493,1271 3.925,1276 10.784,1277 4.209,1282 6.191,1289 42.385,1290 98.357,1291 232.217,1292 291.203,1293 341.309,1294 358.918,1295 358.918,1296 61.566,1297 8.044,1298 75.17,1299 75.17,1300 29,1301 12.859,1302 4.644,1303 3.807,1304 54.555,1305 177,1306 206,1307 0.148,1308 258.817,1309 445.76,1310 623.272,1311 36506,1313 25.07,1314 0.696,1315 0.575,1316 25.07,1317 20.685,1318 17.491,1319 0.437,1320 0.305,1321 12.052,1322 16.916,1323 11.711,1324 9.728,1325 17.491,1326 12.211,1327 15.775,1328 0.282,1329 0.166,1330 15.775,1331 9.269,1332 13.522,1333 0.18,1334 0.09,1335 13.522,1336 6.777,1337 11.163,1338 0.113,1339 0.046,1340 11.163,1341 4.555,1342 9.392,1343 0.074,1344 0.026,1345 9.392,1346 3.272,1347 0.236,1348 108.85,1349 0.192,1350 33.139,1351 0.396,1352 192,1353 496.799,1354 206.781,1355 490.006,1356 679.96,1357 460,1358 227,1359 507.779,1360 243.115,1361 520.327,1362 761.28,1363 489,1364 5.959}
{0 CHEMBL1908393,1 1.667,2 20.217,3 3.792,4 14.379,5 168.034,6 7.741,7 0.333,8 4.52,9 4.625,10 4.112,11 4.011,12 5.635,13 4.019,14 5.08,15 5.239,16 4.456,17 4.378,18 6.203,19 4.372,20 5.337,21 5.525,22 4.583,23 4.5,24 6.516,25 4.488,26 5.359,27 5.562,28 4.48,29 4.493,30 6.572,31 4.447,32 5.34,33 5.554,34 4.478,35 4.514,36 6.429,37 4.459,38 5.335,39 5.522,40 4.52,41 4.524,42 6.537,43 4.482,44 5.379,45 5.593,46 4.468,47 4.472,48 6.584,49 4.422,50 5.262,51 5.485,52 4.382,53 4.361,54 6.46,55 4.315,56 0.166,57 1.298,58 15.93,59 7.845,60 19.124,61 9.393,62 0.692,63 2.065,64 32.94,65 12.666,66 64.573,67 15.58,68 1.234,69 2.512,70 46.336,71 15.613,72 111.312,73 19.578,74 1.411,75 2.441,76 48.588,77 16.33,78 155.365,79 20.867,80 1.157,81 2.373,82 48.211,83 17.455,84 115.804,85 22.674,86 1.093,87 2.488,88 45.714,89 17.118,90 133.185,91 21.413,92 1.484,93 2.589,94 50.732,95 16.613,96 165.059,97 21.527,98 1.227,99 2.366,100 45.289,101 15.112,102 150.791,103 19.548,104 27,105 72,106 0.251,107 0.603,108 0.802,109 0.876,110 0.879,111 0.879,112 3.853,113 0.904,114 -3.05,115 -3.05,116 -2.93,118 41.5,120 4,122 1,123 1,124 6,126 1,132 3,135 1,138 6,139 1,140 6,141 1,142 1,153 2,167 7,171 12,173 2,175 6,178 5,181 2,182 11,186 7,188 5,191 4,192 6,195 2,196 1,199 8,203 2,204 6,206 1,211 17,214 1,215 8,220 4,223 10,227 3,228 8,233 5,235 2,239 1,240 7,245 1,247 5,251 1,252 5,255 2,257 1,260 8,264 5294,265 31.349,266 31.349,267 31.349,268 31.349,269 31.349,270 28.666,271 42.521,272 18.361,273 32.28,274 25.074,275 25.074,276 25.074,277 25.074,278 25.074,279 20.775,280 55.757,281 8.624,282 26.493,283 4.69,284 2.354,285 1.034,286 0.546,287 0.521,288 0.521,289 4.557,294 1,295 2039,296 4.743,297 97.418,300 820.877,304 247.167,307 3.28,308 71.18,311 0.75,312 0.33,313 0.67,314 0.9,315 1,316 0.67,317 0.5,318 0.69,319 103,320 930,321 4.765,322 4.332,323 7.978,324 4.682,325 3.677,326 4.513,327 2.166,328 15.051,329 3.692,330 4.577,331 3.406,332 6.59,333 4.103,334 3.14,335 3.952,336 1.722,337 10.546,338 3.025,339 4.245,340 3.365,341 6.116,342 3.817,343 2.874,344 3.864,345 1.013,346 8.963,347 2.705,348 3.982,349 3.227,350 6.003,351 3.591,352 2.634,353 3.488,354 0.86,355 8.521,356 2.529,357 3.963,358 3.11,359 5.567,360 3.565,361 2.618,362 3.267,363 0.86,364 7.375,365 2.452,366 3.605,367 2.927,368 5.387,369 3.435,370 2.519,371 2.926,372 0.86,373 6.965,374 2.305,375 3.521,376 2.883,377 5.34,378 3.248,379 2.299,380 2.757,381 0.86,382 6.956,383 2.17,384 3.409,385 2.606,386 5.181,387 3.073,388 2.134,389 2.522,390 0.8,391 6.095,392 1.989,393 3.3,394 2.406,395 5.063,396 2.932,397 1.989,398 2.393,399 0.215,400 5.845,401 1.867,402 3.101,403 2.35,404 4.848,405 2.685,406 1.751,407 2.241,408 0.109,409 4.758,410 1.664,411 3.025,412 2.313,413 4.569,414 2.645,415 1.642,416 2.144,417 4.565,418 1.587,419 2.834,420 2.232,421 4.535,422 2.48,423 1.553,424 1.966,425 3.9,426 1.453,427 2.786,428 2.156,429 4.146,430 2.451,431 1.431,432 1.805,433 3.633,434 1.435,435 2.746,436 1.808,437 3.928,438 2.366,439 1.417,440 1.734,441 3.371,442 1.33,443 2.581,444 1.501,445 3.7,446 2.285,447 1.386,448 1.587,449 3.127,450 1.232,451 21.171,452 0.46,453 1.089,454 0.024,455 54.75,456 1.19,457 24,458 0.522,459 30.75,460 0.668,461 46.072,462 1.002,463 51.429,464 0.627,465 51.461,466 1.119,467 10.944,468 0.238,469 11.396,470 0.248,471 0.082,472 0.024,473 0.302,474 1,477 1,478 0.714,479 1.192,480 0.719,481 1.181,482 0.549,483 0.995,484 0.996,485 1.092,486 0.902,487 1.042,488 0.696,489 0.963,490 1.116,491 1.072,492 0.971,493 1,494 1.01,495 0.948,496 1.028,497 0.842,498 1.059,499 0.958,500 1.04,501 1.004,502 0.853,503 0.804,504 0.834,505 0.894,506 0.885,507 0.874,508 0.983,509 1.11,510 0.982,511 1.127,512 0.916,513 1.077,514 1.027,515 1.04,516 1.021,517 0.983,518 0.994,519 0.998,520 0.994,521 1.073,522 0.953,523 1.007,524 1.061,525 0.97,526 10,527 0.396,528 5,529 3.201,530 2.874,531 1.626,532 1.044,533 0.959,534 0.6,535 0.345,536 46200,537 129162,538 2.112,539 43.9,540 4,541 25,543 1,544 2,546 2,547 2,549 1.829,550 1.993,551 4.232,552 0.127,558 136.718,559 1.667,560 4.003,561 5.323,562 5.812,563 5.836,564 5.836,565 3.754,566 4.942,567 5.488,568 4.441,569 4596.73,570 9.714,571 94747.1,576 521.319,577 1.434,578 5.459,579 0.196,580 0.007,581 0.072,582 0.043,583 0.044,584 0.024,585 0.015,586 0.015,587 0.01,588 0.006,589 0.432,590 0.33,591 0.5,592 0.588,593 277.171,594 -0.044,595 -0.128,596 0.054,597 -0.078,598 -0.027,599 -0.001,600 -0.088,601 -0.08,602 -0.007,603 -0.023,604 -0.006,605 0.001,606 -0.057,607 -0.054,608 -0.001,609 -0.021,610 -0.033,611 0.005,612 -0.019,613 0.095,614 -0.083,615 0.01,616 0.009,617 -0.042,618 0.027,619 0.071,620 0.13,621 0.115,622 -0.009,623 0.142,624 -0.024,625 -0.144,626 -0.035,627 -0.104,628 0.03,629 -0.082,630 0.01,631 -0.055,632 -0.022,633 -0.012,634 0.029,635 -0.026,636 0.037,637 0.001,638 0.052,639 -0.023,640 0.03,641 0.013,642 2.507,643 7.243,644 0.674,645 81.323,646 1.017,647 1.134,648 1.816,649 3.297,650 0.653,651 3.951,652 4.29,653 4.554,654 4.771,655 4.984,656 5.05,657 5.159,658 5.318,659 5.451,660 5.472,661 11.185,662 0.635,663 634.74,664 3.951,665 5.509,666 6.372,667 7.256,668 8.137,669 9.029,670 9.92,671 10.817,672 11.714,673 12.617,674 4.9,677 1,681 2,684 1,689 2,690 7,691 1,695 6,697 17,714 3,715 1,716 82,718 21,719 2,720 51,722 87,723 34,724 15,725 7,726 5,727 4,728 6,729 7,733 1,734 1,735 4,738 5,740 21,741 13,743 1,744 4,749 2,751 3,753 3,758 2,760 36,761 12,762 2,763 12,769 4,775 0.833,776 6,787 1,791 1,794 5,798 1,807 2,811 4,816 1,818 1,819 5,823 1,825 2,827 46,833 10,834 2,835 4,837 1,838 1,839 1,849 2,850 7.3,853 2,854 1,855 3,858 23.083,859 14.852,860 10.111,861 4.986,863 3.889,864 1.434,865 0.978,866 10.07,867 12.846,868 4.167,869 4.727,870 5.264,871 5.791,872 6.328,873 6.629,874 7.005,875 7.429,876 7.833,877 8.028,878 0.929,879 75,880 17.28,881 7.691,882 7.933,883 32.375,884 27.057,885 2.433,886 111.917,890 400.217,891 187.363,892 55.931,894 94.289,895 29.92,897 187.363,898 494.507,899 85.852,900 10.883,901 68.433,902 85.286,903 102.012,904 82.74,905 29.92,906 388.446,908 400.217,909 243.294,910 124.21,913 383.053,914 130.374,915 11,917 82.749,918 112.574,919 47.971,921 430.138,922 150.221,923 187.363,926 402.397,927 79.967,928 108.341,929 36.022,930 140.995,931 400.217,932 180.141,933 187.363,935 0.583,936 0.341,937 0.178,938 0.094,939 34,940 15,941 0.138,942 12,943 1,944 1.065,945 5.607,946 473.184,947 0.065,948 31,949 245.329,954 32.235,955 14.37,956 7.822,957 1.186,958 180.141,959 10.76,960 4.438,964 0.821,966 36.022,967 767.721,968 63.5,973 25.921,975 4.417,977 -0.552,980 83.418,981 92.987,983 0.262,984 0.63,985 0.837,986 0.914,987 0.918,988 0.918,989 5.435,990 2.134,991 6.372,992 6.956,993 4.977,994 5.416,995 3.133,996 7.223,997 4.881,998 6.64,999 1.989,1000 7.964,1001 6.095,1002 4.691,1003 5.301,1004 2.221,1005 8.48,1006 4.586,1007 7.965,1008 1.751,1009 9.674,1010 5.845,1011 6.655,1012 7.585,1013 3.91,1014 11.566,1015 6.505,1016 9.326,1017 1.642,1018 11.464,1019 4.758,1020 7.223,1021 8.289,1022 3.846,1023 13.783,1024 7.094,1025 10.725,1026 1.553,1027 13.313,1028 4.565,1029 8.695,1030 10.089,1031 5.098,1032 16.534,1033 8.54,1034 12.15,1035 1.431,1036 15.208,1037 3.9,1038 9.656,1039 11.176,1040 5.417,1041 19.092,1042 9.534,1043 13.597,1044 1.417,1045 17.141,1046 3.633,1047 10.965,1048 12.784,1049 6.463,1050 21.793,1051 10.84,1052 3.677,1053 1.386,1054 19.104,1055 3.371,1056 12.105,1057 14.063,1058 6.969,1059 24.456,1060 12.008,1061 3.14,1062 15.051,1063 21.091,1064 3.127,1065 13.373,1066 15.591,1067 7.905,1068 27.156,1069 13.286,1070 2.874,1071 10.546,1072 23.098,1073 4.513,1074 14.591,1075 16.967,1076 8.515,1077 29.85,1078 14.527,1079 2.634,1080 8.963,1081 25.12,1082 3.952,1083 15.857,1084 18.463,1085 9.386,1086 32.555,1087 15.807,1088 2.618,1089 8.521,1090 27.154,1091 3.864,1092 17.112,1093 19.892,1094 10.059,1095 35.26,1096 17.08,1097 2.519,1098 7.375,1099 29.197,1100 3.488,1101 18.385,1102 21.378,1103 10.891,1104 37.968,1105 18.367,1106 2.299,1107 6.965,1108 31.248,1109 3.267,1110 19.659,1111 22.835,1112 11.602,1113 40.677,1114 19.655,1115 42766,1116 71800,1117 34.383,1118 53.569,1119 76.341,1120 79.08,1121 78.836,1122 75.474,1123 75.53,1124 93.03,1125 18.932,1126 220.144,1127 71.614,1128 5.765,1129 6.332,1130 7.78,1131 5.786,1132 5.677,1133 7.513,1134 3.858,1135 22.84,1136 5.692,1137 21.761,1138 1.497,1139 1.551,1140 1.546,1141 1.48,1142 1.481,1143 1.824,1144 0.371,1145 4.317,1146 1.404,1147 4.096,1148 4.115,1149 4.064,1150 4.003,1151 8.201,1152 4.015,1153 4.005,1154 4.033,1155 3.951,1156 3.895,1157 8.191,1158 3.903,1159 3.882,1160 3.913,1161 3.835,1162 3.789,1163 7.443,1164 3.794,1165 3.836,1166 3.882,1167 3.758,1168 3.744,1169 7.413,1170 3.741,1171 3.818,1172 3.868,1173 3.696,1174 3.61,1175 5.071,1176 3.621,1177 3.572,1178 3.609,1179 3.487,1180 3.392,1181 4.773,1182 3.408,1183 3.444,1184 3.489,1185 3.3,1186 3.278,1187 4.662,1188 3.273,1189 3.246,1190 3.3,1191 3.193,1192 2.971,1193 4.624,1194 3.009,1195 0.093,1196 0.085,1197 0.156,1198 0.092,1199 0.072,1200 4.765,1201 0.088,1202 4.332,1203 0.042,1204 7.978,1205 0.295,1206 4.682,1207 0.072,1208 3.677,1209 4.513,1210 2.166,1211 15.051,1212 3.692,1213 2.021,1214 2.007,1215 2.076,1216 2.124,1217 1.292,1218 2.109,1219 1.868,1220 1.844,1221 1.998,1222 2,1223 1.207,1224 1.997,1225 1.852,1226 1.817,1227 1.976,1228 1.992,1229 1.203,1230 1.991,1231 1.755,1232 1.692,1233 1.946,1234 1.973,1235 1.07,1236 1.966,1237 1.524,1238 1.49,1239 1.779,1240 1.749,1241 1.047,1242 1.756,1243 1.492,1244 1.469,1245 1.621,1246 1.702,1247 0.836,1248 1.664,1249 1.41,1250 1.368,1251 1.577,1252 1.622,1253 0.825,1254 1.619,1255 1.158,1256 1.087,1257 1.513,1258 1.432,1259 0.825,1260 1.448,1261 4.635,1262 1.946,1263 5.969,1264 3.932,1265 7.506,1266 5.938,1267 9.137,1268 7.917,1269 10.818,1271 1.547,1273 28.582,1277 6.493,1278 5.345,1279 22.96,1281 -1.089,1282 2.344,1283 -1.257,1289 52.097,1290 136.718,1291 328.286,1292 436.525,1293 476.564,1294 478.564,1295 478.564,1296 123.444,1297 8.957,1298 111.25,1299 111.25,1300 33,1301 13.139,1302 4.459,1303 3.755,1304 71.162,1305 309,1306 328,1307 0.109,1308 310.972,1309 567.1,1310 750.532,1311 132058,1312 2.4,1313 32.097,1314 0.698,1315 0.555,1316 30.357,1317 25.522,1318 22.341,1319 0.438,1320 0.301,1321 15.063,1322 21.133,1323 14.836,1324 12.11,1325 21.536,1326 15.369,1327 20.088,1328 0.279,1329 0.16,1330 18.936,1331 11.493,1332 17.005,1333 0.181,1334 0.086,1335 16.135,1336 8.051,1337 13.747,1338 0.117,1339 0.045,1340 13.212,1341 5.31,1342 10.793,1343 0.074,1344 0.024,1345 10.293,1346 3.49,1347 0.179,1348 142.653,1349 0.171,1350 41.253,1351 0.279,1352 246,1353 886.591,1354 279.508,1355 775.37,1356 1032.91,1357 728,1358 292,1359 729.6,1360 326.08,1361 717.558,1362 1060.64,1363 676,1364 7.921}
{0 CHEMBL1908394,1 1.781,2 14,3 5.126,4 26.275,5 142.371,6 8.237,7 0.5,8 4.305,9 4.42,10 3.979,11 3.839,12 5.432,13 3.824,14 4.882,15 5.053,16 4.445,17 4.25,18 6.339,19 4.225,20 5.081,21 5.26,22 4.476,23 4.406,24 6.175,25 4.345,26 5.233,27 5.449,28 4.486,29 4.459,30 6.363,31 4.371,32 5.253,33 5.486,34 4.449,35 4.41,36 6.462,37 4.328,38 5.122,39 5.328,40 4.368,41 4.368,42 6.288,43 4.284,44 5.089,45 5.295,46 4.428,47 4.346,48 6.281,49 4.281,50 5.093,51 5.291,52 4.487,53 4.302,54 6.332,55 4.253,56 0.146,57 1.213,58 12.176,59 6.276,60 25.48,61 7.263,62 1.048,63 2.299,64 27.961,65 10.371,66 153.195,67 12.329,68 0.631,69 2.227,70 36.147,71 13.907,72 55.298,73 16.555,74 0.855,75 2.571,76 45.904,77 17.185,78 97.719,79 20.983,80 1.474,81 2.549,82 49.52,83 16.836,84 147.462,85 19.783,86 0.948,87 2.313,88 42.715,89 15.232,90 117.928,91 17.04,92 0.727,93 2.187,94 40.393,95 13.693,96 80.509,97 16.586,98 0.783,99 2.434,100 41.697,101 13.851,102 82.239,103 15.347,104 54,105 62,106 0.281,107 0.61,108 0.759,109 0.821,110 0.856,111 0.861,112 3.668,113 0.932,114 -4.6,115 -4.52,116 -4.25,118 40.9,119 1,123 1,124 5,126 1,130 1,138 8,139 3,140 1,142 1,148 2,149 1,153 1,155 1,158 1,159 1,160 1,167 9,170 1,171 8,172 1,173 1,178 10,181 1,182 10,186 1,188 6,190 1,191 2,192 8,194 1,195 1,197 1,199 6,201 1,203 2,204 2,205 1,206 1,211 9,214 2,215 7,220 2,223 6,225 2,227 1,228 10,230 1,231 1,233 3,235 3,237 3,239 1,240 9,245 4,247 3,249 4,251 2,252 5,257 2,260 6,262 2,264 2898,265 25.004,266 25.004,267 25.004,268 25.004,269 25.004,270 22.511,271 33.041,272 14.351,273 25.903,274 20.743,275 20.743,276 20.743,277 20.743,278 20.743,279 16.823,280 41.717,281 6.836,282 22.329,283 4.263,284 2.175,285 1.228,286 0.834,287 0.61,288 0.58,289 4.366,294 1,295 1148,296 4.416,299 194.633,300 371.666,303 164.75,307 2.316,308 56.813,311 0.75,312 0.83,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.78,319 85,320 532,321 4.641,322 4.473,323 7.279,324 4.289,325 3.398,326 4.57,327 3.825,328 12.394,329 3.083,330 4.564,331 3.584,332 6.752,333 4.148,334 3.222,335 4.074,336 1.151,337 11.077,338 3.001,339 4.366,340 3.267,341 6.444,342 3.923,343 2.981,344 4.014,345 0.98,346 9.953,347 2.789,348 3.838,349 3.225,350 6.05,351 3.607,352 2.677,353 3.216,354 0.916,355 8.522,356 2.496,357 3.782,358 3.022,359 5.72,360 3.539,361 2.63,362 2.938,363 0.8,364 7.828,365 2.321,366 3.633,367 2.775,368 5.539,369 3.337,370 2.388,371 2.921,372 0.172,373 7.312,374 2.254,375 3.462,376 2.627,377 5.128,378 3.146,379 2.198,380 2.547,382 6.312,383 2.077,384 3.294,385 2.37,386 4.984,387 2.9,388 1.96,389 2.495,391 5.529,392 1.819,393 3.084,394 2.151,395 4.799,396 2.821,397 1.894,398 2.288,400 5.413,401 1.746,402 3.007,403 1.983,404 4.636,405 2.657,406 1.68,407 2.051,409 4.546,410 1.63,411 2.875,412 1.499,413 4.485,414 2.366,415 1.424,416 2.006,417 4.055,418 1.331,419 2.607,420 1.349,421 3.975,422 2.134,423 1.18,424 1.65,425 3.021,426 1.106,427 2.583,428 1.314,429 3.794,430 2.061,431 1.131,432 1.617,433 2.833,434 1.043,435 2.384,436 1.146,437 3.585,438 1.967,439 1,440 1.313,441 2.461,442 0.965,443 2.256,444 1.109,445 3.529,446 1.941,447 0.985,448 1.128,449 2.275,450 0.933,451 17.857,452 0.47,453 1.248,454 0.033,455 45.5,456 1.197,457 20,458 0.526,459 25.5,460 0.671,461 38.98,462 1.026,463 42.143,464 0.639,465 41.255,466 1.086,467 9.07,468 0.239,469 9.027,470 0.238,471 0.145,472 0.028,473 0.347,476 3,478 0.645,479 1.117,480 0.69,481 1.031,482 0.599,483 0.946,484 0.627,485 0.744,486 0.742,487 0.8,488 0.348,489 0.791,490 0.77,491 0.936,492 0.928,493 1.116,494 0.563,495 1.062,496 0.724,497 1.043,498 0.924,499 1.13,500 0.677,501 1.052,502 0.993,503 0.888,504 0.968,505 0.85,506 0.963,507 0.877,508 1.134,509 0.996,510 1.215,511 1.072,512 1.136,513 1.034,514 0.789,515 0.914,516 1.018,517 1.049,518 0.751,519 0.934,520 1.024,521 1.203,522 1.046,523 1.221,524 1.051,525 1.067,526 9.5,527 0.344,528 4.889,529 3.326,530 2.541,531 1.379,532 1.061,533 0.966,534 0.688,535 0.423,536 22818,537 68915,538 2.059,539 42.4,541 22,543 1,544 2,546 3,549 1.789,550 1.892,551 3.737,552 0.201,558 117.578,559 1.781,560 3.87,561 4.817,562 5.211,563 5.434,564 5.465,565 3.249,566 4.86,567 5.218,568 3.944,569 2772.43,570 9.202,571 45852.4,576 398.93,577 1.636,578 5.156,579 0.226,580 0.008,581 0.079,582 0.054,583 0.041,584 0.023,585 0.019,586 0.016,587 0.012,588 0.009,589 0.487,590 0.17,591 0.75,592 0.811,593 210.842,594 -0.048,595 -0.132,596 0.053,597 -0.025,598 -0.086,599 0.006,600 0.257,601 0.285,602 0.153,603 0.179,604 0.405,605 0.141,606 -0.05,607 -0.086,608 0.001,609 -0.093,610 0.006,611 -0.074,612 0.067,613 -0.15,614 0.072,615 -0.091,616 0.054,617 -0.023,618 0.062,619 0.101,620 0.062,621 0.152,622 0.009,623 0.119,624 -0.147,625 0.034,626 -0.139,627 0.008,628 -0.137,629 -0.038,630 -0.043,631 -0.083,632 0.029,633 -0.008,634 0.005,635 0.055,636 -0.082,637 -0.212,638 0.026,639 -0.173,640 -0.084,641 -0.104,642 5.78,643 5.548,644 0.684,645 45.186,646 1.019,647 1.14,648 3.366,649 11.329,650 0.671,651 3.761,652 4.143,653 4.407,654 4.7,655 4.92,656 5.017,657 5.198,658 5.38,659 5.529,660 5.642,661 8.21,662 0.647,663 543.67,664 3.761,665 5.342,666 6.205,667 7.111,668 7.993,669 8.9,670 9.792,671 10.7,672 11.597,673 12.506,674 7.6,677 2,681 1,682 1,684 1,689 2,690 9,691 1,694 1,695 6,696 1,697 21,703 1,714 1,716 66,718 22,719 2,720 42,722 70,723 27,724 17,725 5,726 7,727 1,728 5,729 6,732 2,737 1,738 1,740 18,741 9,744 1,749 1,753 1,758 3,760 28,761 9,762 2,763 11,764 1,766 1,769 5,775 0.8,776 2,793 2,794 3,797 1,816 2,819 4,821 1,823 2,825 3,827 38,828 1,833 5,835 1,837 1,838 2,839 1,845 1,849 3,850 3,853 1,855 1,858 20.083,859 12.395,860 8.028,861 3.861,863 4.1,864 1.47,865 1.007,866 7.607,867 12.823,868 3.998,869 4.625,870 5.222,871 5.841,872 6.335,873 6.727,874 7.193,875 7.658,876 8.009,877 8.375,878 1,879 62,880 14.647,881 6.863,882 8.037,883 26.503,884 22.211,885 2.537,886 96.417,890 306.049,891 177.297,892 57.83,894 36.145,895 44.88,896 31.278,897 146.019,898 342.193,899 102.711,900 17.222,901 43.426,902 75.81,903 67.025,904 81.902,905 3.503,906 325.555,907 7.76,908 306.049,909 203.85,910 81.025,911 31.278,913 270.735,914 116.338,917 79.85,918 107.214,919 16.786,920 31.278,921 350.929,922 93.975,923 177.297,926 313.808,927 67.887,928 109.798,930 130.708,931 306.049,932 138.856,933 177.297,935 0.599,936 0.341,937 0.184,938 0.102,939 31,940 15,941 0.1,942 7,943 1,944 1.077,945 4.667,946 384.094,947 0.077,948 26,949 190.666,950 1,954 26.826,955 10.776,956 5.817,957 1.645,958 136.956,959 14.639,960 4.491,963 1.114,964 1.236,965 1.848,966 32.897,967 622.201,968 53.5,973 12.25,977 -0.715,980 67.265,981 75.247,983 0.295,984 0.64,985 0.797,986 0.862,987 0.899,988 0.904,989 5.279,990 1.96,991 6.24,992 6.312,993 4.828,994 5.313,995 3.328,996 7.111,997 4.686,998 6.512,999 1.894,1000 7.843,1001 5.529,1002 4.635,1003 5.247,1004 3.919,1005 8.244,1006 4.355,1007 7.844,1008 1.68,1009 9.552,1010 5.413,1011 6.518,1012 7.539,1013 5.45,1014 11.307,1015 6.224,1016 9.211,1017 1.424,1018 11.324,1019 4.546,1020 7.107,1021 8.299,1022 6.691,1023 13.253,1024 6.67,1025 10.612,1026 1.18,1027 13.138,1028 4.055,1029 8.525,1030 10.107,1031 8.06,1032 15.9,1033 8.06,1034 12.036,1035 1.131,1036 14.981,1037 3.021,1038 9.449,1039 11.249,1040 9.389,1041 18.164,1042 8.855,1043 13.48,1044 1,1045 16.847,1046 2.833,1047 10.706,1048 12.865,1049 10.734,1050 20.689,1051 10.061,1052 3.398,1053 0.985,1054 18.729,1055 2.461,1056 11.777,1057 14.19,1058 12.074,1059 23.082,1060 11.019,1061 3.222,1062 12.394,1063 20.626,1064 2.275,1065 12.98,1066 15.727,1067 13.417,1068 25.575,1069 12.154,1070 2.981,1071 11.077,1072 22.534,1073 4.57,1074 14.117,1075 17.139,1076 14.758,1077 28.023,1078 13.188,1079 2.677,1080 9.953,1081 24.452,1082 4.074,1083 15.306,1084 18.645,1085 16.1,1086 30.511,1087 14.298,1088 2.63,1089 8.522,1090 26.377,1091 4.014,1092 16.473,1093 20.099,1094 17.441,1095 32.984,1096 15.368,1097 2.388,1098 7.828,1099 28.309,1100 3.216,1101 17.662,1102 21.596,1103 18.783,1104 35.475,1105 16.471,1106 2.198,1107 7.312,1108 30.247,1109 2.938,1110 18.845,1111 23.072,1112 20.124,1113 37.962,1114 17.559,1115 21602,1116 37959,1117 27.452,1118 44.296,1119 65.578,1120 64.755,1121 66.344,1122 64.856,1123 64.588,1124 81.685,1125 15.689,1126 194.998,1127 59.984,1128 5.641,1129 6.473,1130 6.957,1131 5.456,1132 5.398,1133 7.57,1134 5.335,1135 20.104,1136 5.083,1137 22.432,1138 1.561,1139 1.542,1140 1.58,1141 1.544,1142 1.538,1143 1.945,1144 0.374,1145 4.643,1146 1.428,1147 4.148,1148 4.182,1149 4.307,1150 4.061,1151 8.513,1152 4.054,1153 3.967,1154 3.99,1155 3.997,1156 3.892,1157 7.999,1158 3.893,1159 3.859,1160 3.918,1161 3.916,1162 3.834,1163 7.999,1164 3.786,1165 3.804,1166 3.824,1167 3.711,1168 3.617,1169 7.437,1170 3.629,1171 3.461,1172 3.525,1173 3.376,1174 3.279,1175 5.053,1176 3.295,1177 3.401,1178 3.46,1179 3.347,1180 3.228,1181 4.898,1182 3.217,1183 3.314,1184 3.362,1185 3.257,1186 3.01,1187 4.774,1188 3.065,1189 3.26,1190 3.334,1191 3.21,1192 3,1193 4.62,1194 3.028,1195 0.111,1196 0.107,1197 0.173,1198 0.102,1199 0.081,1200 4.641,1201 0.109,1202 4.473,1203 0.091,1204 7.279,1205 0.295,1206 4.289,1207 0.073,1208 3.398,1209 4.57,1210 3.825,1211 12.394,1212 3.083,1213 1.953,1214 1.925,1215 2.056,1216 2.069,1217 1.326,1218 2.07,1219 1.932,1220 1.911,1221 2.036,1222 2.028,1223 1.203,1224 2.028,1225 1.756,1226 1.683,1227 1.95,1228 1.961,1229 1.167,1230 1.963,1231 1.57,1232 1.554,1233 1.722,1234 1.755,1235 0.831,1236 1.733,1237 1.523,1238 1.507,1239 1.615,1240 1.7,1241 0.825,1242 1.686,1243 1.37,1244 1.309,1245 1.574,1246 1.599,1247 0.788,1248 1.606,1249 1.281,1250 1.202,1251 1.513,1252 1.54,1253 0.687,1254 1.555,1255 1.153,1256 1.064,1257 1.503,1258 1.44,1259 0.639,1260 1.429,1261 4.443,1263 5.808,1264 3.045,1265 7.349,1266 5.416,1267 8.971,1268 7.535,1269 10.636,1271 3.64,1273 40.644,1275 5.623,1277 4.865,1279 5.918,1281 -0.969,1282 4.717,1283 -4.53,1289 42.722,1290 117.578,1291 255.404,1292 317.91,1293 343.91,1294 358.665,1295 360.665,1296 88.952,1297 8.723,1298 76.62,1299 104.86,1300 28,1301 13.024,1302 4.524,1303 3.644,1304 59.042,1305 186,1306 217,1307 0.153,1308 260.212,1309 453.16,1310 626.678,1311 87950,1312 4.5,1313 27.026,1314 0.711,1315 0.575,1316 24.88,1317 21.85,1318 18.096,1319 0.431,1320 0.311,1321 12.07,1322 16.772,1323 11.729,1324 9.633,1325 17.293,1326 13.052,1327 17.739,1328 0.286,1329 0.17,1330 16.36,1331 10.535,1332 13.964,1333 0.172,1334 0.098,1335 14.135,1336 7.898,1337 11.905,1338 0.109,1339 0.052,1340 12.072,1341 5.622,1342 9.733,1343 0.072,1344 0.029,1345 9.676,1346 3.94,1347 0.241,1348 118.894,1349 0.191,1350 34.394,1351 0.415,1352 208,1353 772.557,1354 266.999,1355 683.72,1356 908,1357 636,1358 247,1359 633.799,1360 300.972,1361 638.183,1362 962.17,1363 598,1364 5}
{0 CHEMBL1908395,1 1.503,2 13.5,3 3.328,4 11.073,5 132.718,6 6.979,7 0.297,8 4.265,9 4.401,10 3.774,11 3.783,12 5.32,13 3.752,14 4.844,15 5.048,16 4.12,17 4.201,18 5.813,19 4.138,20 5.129,21 5.356,22 4.19,23 4.389,24 6.129,25 4.279,26 5.226,27 5.479,28 4.177,29 4.391,30 6.2,31 4.275,32 5.188,33 5.43,34 4.146,35 4.364,36 6.187,37 4.261,38 5.159,39 5.396,40 4.153,41 4.392,42 6.14,43 4.276,44 5.238,45 5.501,46 4.101,47 4.409,48 6.093,49 4.27,50 5.236,51 5.509,52 4.051,53 4.347,54 6.12,55 4.207,56 0.035,57 1.005,58 14.504,59 5.794,60 10.727,61 8.282,62 0.316,63 1.619,64 27.893,65 9.817,66 25.899,67 14.536,68 0.511,69 1.97,70 38.107,71 14.189,72 61.819,73 20.389,74 0.358,75 2.026,76 42.966,77 15.222,78 66.898,79 22.212,80 0.49,81 1.968,82 41.722,83 13.786,84 85.309,85 20.083,86 0.372,87 2.01,88 39.397,89 14.14,90 71.509,91 20.777,92 0.343,93 2.071,94 43.402,95 15.464,96 58.696,97 22.954,98 0.434,99 1.991,100 44.144,101 15.101,102 72.165,103 22.404,104 32,105 51,106 0.238,107 0.596,108 0.789,109 0.834,110 0.843,111 0.843,112 3.561,113 0.971,114 -3.56,115 -3.54,116 -3.37,118 39.4,120 6,121 1,123 2,124 3,132 1,133 1,138 3,139 2,140 1,142 1,147 1,153 3,156 1,167 14,170 1,171 2,173 2,175 2,178 18,181 4,182 1,184 2,185 1,186 3,188 17,192 5,195 1,197 3,199 13,204 10,208 5,211 11,214 1,215 10,218 1,220 6,223 10,228 10,233 3,235 6,240 14,243 1,245 3,247 2,252 11,257 3,264 2378,265 22.955,266 22.955,267 22.955,268 22.955,269 22.955,270 21.126,271 30.676,272 13.561,273 23.298,274 18.202,275 18.202,276 18.202,277 18.202,278 18.202,279 15.135,280 33.548,281 6.375,282 18.738,283 4.541,284 2.28,285 1.065,286 0.78,287 0.72,288 0.72,289 4.253,294 1,295 976,296 4,299 110.516,300 361.297,307 2.176,308 33.048,311 1,312 0.83,313 1,314 1,315 0.5,316 1,317 1,318 0.9,319 73,320 459,321 4.442,322 4.059,323 6.555,324 4.093,325 3.103,326 4.07,327 2.035,328 10.408,329 3.073,330 4.263,331 3.737,332 6.14,333 3.856,334 2.888,335 3.881,336 1.989,337 9.02,338 2.797,339 4.009,340 3.581,341 6.076,342 3.799,343 2.834,344 3.231,345 1.058,346 8.807,347 2.732,348 3.869,349 3.199,350 5.988,351 3.628,352 2.64,353 3.101,354 0.835,355 8.479,356 2.596,357 3.782,358 2.947,359 5.315,360 3.309,361 2.331,362 3.008,363 0.543,364 6.723,365 2.271,366 3.504,367 2.54,368 5.144,369 3.113,370 2.146,371 2.706,373 6.088,374 2.095,375 3.154,376 2.514,377 4.754,378 3.013,379 2.076,380 2.16,382 5.341,383 1.924,384 3.094,385 2.393,386 4.438,387 2.579,388 1.592,389 1.903,391 4.362,392 1.565,393 2.821,394 2.238,395 4.157,396 2.544,397 1.55,398 1.825,400 3.658,401 1.539,402 2.751,403 1.685,404 3.894,405 2.188,406 1.212,407 1.733,409 3.038,410 1.17,411 2.479,412 1.656,413 3.801,414 2.068,415 1.075,416 1.29,417 2.816,418 1.057,419 2.365,420 1.462,421 3.479,422 2,423 1,424 1.264,425 2.474,426 1,427 2.343,428 1.293,429 3.414,430 2,431 1,432 1.033,433 2.275,434 1,435 2.161,436 1.077,437 3.273,438 1.984,439 1,440 1.007,441 2.136,442 0.983,443 2.052,444 1.056,445 3.247,446 1.608,447 0.682,448 1,449 1.665,450 0.629,451 16.067,452 0.473,453 0.818,454 0.024,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 34.026,462 1.001,463 37.333,464 0.566,465 32.335,466 0.951,467 7.5,468 0.221,469 8.94,470 0.263,471 0.129,473 0.33,478 0.737,479 1.47,480 0.845,481 1.185,482 0.485,483 1.048,484 0.754,485 1.065,486 0.905,487 0.973,488 0.45,489 0.95,490 0.685,491 0.972,492 0.988,493 1.099,494 0.697,495 1.093,496 0.918,497 1.033,498 0.895,499 1.046,500 0.942,501 0.987,502 1.375,503 0.945,504 1.05,505 0.93,506 1.293,507 0.952,508 0.818,509 1.08,510 1.022,511 1.118,512 0.611,513 1.101,514 0.777,515 1.02,516 0.96,517 1.062,518 0.67,519 1.04,520 0.936,521 0.966,522 0.94,523 0.992,524 0.909,525 0.977,526 7,527 0.205,528 4,529 1.972,530 1.722,531 1.354,532 0.843,533 0.446,534 0.441,535 0.346,536 16678,537 41855,538 2.059,539 48.5,540 9,541 16,542 1,544 2,546 4,549 1.762,550 1.925,551 3.695,552 0.177,558 99.209,559 1.503,560 3.765,561 4.98,562 5.264,563 5.325,564 5.325,565 3.257,566 4.558,567 5.051,568 3.878,569 2175.75,570 8.878,571 33647.9,576 398.93,577 1.419,578 5.016,579 0.189,580 0.006,581 0.078,582 0.038,583 0.034,584 0.027,585 0.017,586 0.009,587 0.01,588 0.009,589 0.417,590 0.33,591 0.88,592 1.096,593 182.986,594 -0.027,595 -0.21,596 0.052,597 -0.06,598 0.031,599 -0.004,600 0.073,601 0.081,602 0.04,603 0.062,604 0.077,605 0.051,606 0.173,607 0.065,608 -0.036,609 -0.058,610 0.078,611 -0.077,612 0.017,613 -0.082,614 0.079,615 -0.026,616 0.018,617 0.026,618 -0.184,619 0.035,620 -0.052,621 0.067,622 -0.113,623 0.031,625 -0.056,626 -0.07,627 -0.088,628 0.093,629 -0.088,630 -0.022,631 -0.059,632 -0.003,633 -0.042,634 -0.001,635 -0.021,636 -0.02,637 -0.043,638 0.041,639 0.005,640 -0.023,641 0.026,642 2.028,643 5.767,644 0.676,645 42.291,646 0.996,647 1.133,648 2.332,649 5.438,650 0.649,651 3.638,652 3.951,653 4.205,654 4.443,655 4.654,656 4.754,657 4.898,658 5.037,659 5.187,660 5.298,661 7.819,662 0.612,663 460.64,664 3.638,665 5.176,666 6.019,667 6.889,668 7.75,669 8.625,670 9.494,671 10.373,672 11.247,673 12.127,674 9.1,677 1,681 2,682 1,683 1,684 1,690 4,691 1,692 1,695 5,697 11,699 1,704 1,716 66,718 15,719 1,720 37,722 69,723 26,724 9,725 3,726 3,727 3,728 4,729 4,735 6,736 1,738 6,739 1,740 13,741 12,742 1,744 3,749 2,751 1,753 3,760 32,761 7,762 2,763 8,766 1,769 6,775 1,776 2,793 1,794 3,808 1,811 1,812 1,816 1,819 4,823 2,827 34,833 9,834 1,837 1,838 2,842 1,846 1,848 1,850 3,853 2,858 17.667,859 12.383,860 7.556,861 4.199,863 2.276,864 1.292,865 0.969,866 7.824,867 10.072,868 3.882,869 4.379,870 4.899,871 5.389,872 5.796,873 6.096,874 6.336,875 6.63,876 6.949,877 7.285,878 1,879 52,880 12.638,881 5.36,882 7.755,883 24.414,884 20.272,885 2.255,886 76.667,890 353.133,891 128.679,892 88.89,894 50.29,897 128.679,898 403.423,899 88.89,900 16.793,901 42.659,902 46.952,903 95.414,904 66.039,905 11.771,906 341.362,908 353.133,909 217.568,910 50.29,913 306.049,914 97.374,917 98.713,918 92.593,919 26.262,921 353.133,922 139.18,923 128.679,926 353.133,927 48.332,928 69.994,929 51.398,930 98.135,931 353.133,932 139.18,933 128.679,935 0.578,936 0.333,937 0.177,938 0.095,939 23,940 11,941 0.087,942 6,944 1,945 4.449,946 313.904,948 23,949 166.974,954 24.198,955 10.994,956 5.961,958 122.394,959 7.721,960 4.019,961 2.768,964 3.383,966 34.796,967 620.991,968 47.5,973 25.175,975 2.279,977 1.089,980 65.752,981 74.806,983 0.249,984 0.623,985 0.824,986 0.871,987 0.881,988 0.881,989 5.14,990 1.592,991 5.999,992 5.341,993 4.635,994 5.066,995 2.981,996 6.79,997 4.582,998 6.325,999 1.55,1000 7.548,1001 4.362,1002 4.205,1003 4.808,1004 1.738,1005 7.653,1006 4.133,1007 7.617,1008 1.212,1009 9.195,1010 3.658,1011 6.213,1012 7.137,1013 4.082,1014 10.726,1015 6.111,1016 8.94,1017 1.075,1018 10.899,1019 3.038,1020 6.594,1021 7.728,1022 3.224,1023 12.405,1024 6.476,1025 10.295,1026 1,1027 12.64,1028 2.816,1029 8.063,1030 9.516,1031 5.387,1032 14.982,1033 7.921,1034 11.672,1035 1,1036 14.406,1037 2.474,1038 8.813,1039 10.495,1040 4.689,1041 16.998,1042 8.657,1043 13.065,1044 1,1045 16.189,1046 2.275,1047 10.061,1048 12.061,1049 6.756,1050 19.398,1051 9.885,1052 3.103,1053 0.682,1054 17.986,1055 2.136,1056 10.989,1057 13.234,1058 6.118,1059 21.568,1060 10.799,1061 2.888,1062 10.408,1063 19.792,1064 1.665,1065 12.144,1066 14.703,1067 8.147,1068 23.904,1069 11.937,1070 2.834,1071 9.02,1072 21.606,1073 4.07,1074 13.157,1075 15.975,1076 7.524,1077 26.147,1078 12.939,1079 2.64,1080 8.807,1081 23.426,1082 3.881,1083 14.275,1084 17.4,1085 9.547,1086 28.463,1087 14.042,1088 2.331,1089 8.479,1090 25.251,1091 3.231,1092 15.332,1093 18.725,1094 8.915,1095 30.743,1096 15.087,1097 2.146,1098 6.723,1099 27.08,1100 3.101,1101 16.436,1102 20.13,1103 10.952,1104 33.056,1105 16.18,1106 2.076,1107 6.088,1108 28.914,1109 3.008,1110 17.515,1111 21.484,1112 10.3,1113 35.356,1114 17.249,1115 16131,1116 25792,1117 24.561,1118 42.841,1119 57.336,1120 59.698,1121 56.936,1122 54.994,1123 55.039,1124 67.878,1125 12.918,1126 155.887,1127 53.585,1128 5.442,1129 6.059,1130 6.357,1131 5.143,1132 5.103,1133 7.07,1134 4.069,1135 17.274,1136 5.073,1137 18.175,1138 1.55,1139 1.613,1140 1.539,1141 1.486,1142 1.488,1143 1.835,1144 0.349,1145 4.213,1146 1.448,1147 4.056,1148 4.093,1149 4,1150 3.982,1151 7.431,1152 3.979,1153 3.92,1154 3.974,1155 3.882,1156 3.729,1157 7.426,1158 3.762,1159 3.85,1160 3.904,1161 3.749,1162 3.726,1163 6.821,1164 3.721,1165 3.733,1166 3.788,1167 3.626,1168 3.589,1169 4.892,1170 3.593,1171 3.601,1172 3.68,1173 3.465,1174 3.397,1175 4.746,1176 3.405,1177 3.332,1178 3.377,1179 3.283,1180 3.103,1181 4.357,1182 3.141,1183 3.222,1184 3.268,1185 3.114,1186 3.009,1187 4.308,1188 3.023,1189 3.111,1190 3.206,1191 2.952,1192 2.945,1193 4.207,1194 2.935,1195 0.12,1196 0.11,1197 0.177,1198 0.111,1199 0.084,1200 4.442,1201 0.11,1202 4.059,1203 0.055,1204 6.555,1205 0.281,1206 4.093,1207 0.083,1208 3.103,1209 4.07,1210 2.035,1211 10.408,1212 3.073,1213 2.011,1214 1.984,1215 2.135,1216 2.103,1217 1.457,1218 2.114,1219 1.845,1220 1.794,1221 2.045,1222 2.002,1223 1.393,1224 2.016,1225 1.709,1226 1.657,1227 1.885,1228 1.892,1229 1.073,1230 1.895,1231 1.574,1232 1.502,1233 1.825,1234 1.827,1235 0.982,1236 1.826,1237 1.513,1238 1.462,1239 1.632,1240 1.741,1241 0.825,1242 1.72,1243 1.458,1244 1.417,1245 1.513,1246 1.654,1247 0.73,1248 1.617,1249 1.197,1250 1.134,1251 1.504,1252 1.45,1253 0.648,1254 1.448,1255 1.153,1256 1.064,1257 1.447,1258 1.376,1259 0.603,1260 1.429,1261 4.317,1263 5.631,1264 2.398,1265 7.132,1266 4.595,1267 8.714,1268 6.581,1269 10.341,1271 3.835,1277 8.225,1278 2.991,1281 0.388,1282 3.879,1287 8.981,1288 1.934,1289 40.406,1290 99.209,1291 248.469,1292 328.665,1293 347.42,1294 351.42,1295 351.42,1296 72.414,1297 7.796,1298 105.12,1299 105.12,1300 23,1301 12.664,1302 4,1303 3.524,1304 56.78,1305 153,1306 174,1307 0.174,1308 250.082,1309 444.3,1310 601.96,1311 25148,1313 24.079,1314 0.708,1315 0.586,1316 24.079,1317 19.933,1318 16.44,1319 0.444,1320 0.324,1321 11.816,1322 15.858,1323 11.495,1324 9.558,1325 16.44,1326 11.97,1327 14.737,1328 0.289,1329 0.184,1330 14.737,1331 9.373,1332 12.113,1333 0.184,1334 0.1,1335 12.113,1336 6.607,1337 9.955,1338 0.119,1339 0.057,1340 9.955,1341 4.783,1342 7.72,1343 0.074,1344 0.033,1345 7.72,1346 3.444,1347 0.275,1348 102.775,1349 0.202,1350 31.59,1351 0.474,1352 176,1353 482.717,1354 190.836,1355 472.942,1356 637.26,1357 440,1358 205,1359 458.949,1360 220.948,1361 469.617,1362 680.35,1363 439,1364 5.569}
{0 CHEMBL1908396,1 1.725,2 13.882,3 3.467,4 12.019,5 127.926,6 8.286,7 0.595,8 4.179,9 4.273,10 3.865,11 3.695,12 5.365,13 3.691,14 4.676,15 4.82,16 4.21,17 4.029,18 5.836,19 4.019,20 4.81,21 4.952,22 4.267,23 4.128,24 5.969,25 4.117,26 4.908,27 5.054,28 4.256,29 4.189,30 6.087,31 4.155,32 5.014,33 5.2,34 4.236,35 4.199,36 6.198,37 4.144,38 4.963,39 5.171,40 4.112,41 4.147,42 6.037,43 4.08,44 4.901,45 5.101,46 4.059,47 4.096,48 5.988,49 4.024,50 4.825,51 5.018,52 4.052,53 4.041,54 5.849,55 3.962,56 0.12,57 0.839,58 10.643,59 5.373,60 9.758,61 5.983,62 0.542,63 1.287,64 23.313,65 8.563,66 38.93,67 9.636,68 0.646,69 1.464,70 26.135,71 9.446,72 43.65,73 10.616,74 0.671,75 1.578,76 29.749,77 11.1,78 45.753,79 12.502,80 1.021,81 1.662,82 33.575,83 11.797,84 80.173,85 14.557,86 0.681,87 1.573,88 32.873,89 11.964,90 57.179,91 15.044,92 0.762,93 1.482,94 30.187,95 10.886,96 69.801,97 13.307,98 0.632,99 1.381,100 29.803,101 10.812,102 44.617,103 12.91,104 35,105 51,106 0.279,107 0.614,108 0.773,109 0.835,110 0.848,111 0.877,112 3.56,113 0.911,114 -1.72,115 -1.79,116 -1.81,118 41.4,119 1,123 3,126 1,138 6,139 1,140 6,141 2,142 1,147 1,154 1,156 1,167 2,171 11,173 2,174 1,175 2,178 3,181 1,182 8,184 2,186 3,188 4,191 3,192 5,197 2,199 5,203 4,204 4,206 3,208 3,211 4,214 1,215 5,223 4,227 1,228 6,231 1,233 2,235 4,239 2,240 7,245 1,247 2,251 1,252 4,255 1,257 3,264 2118,265 23.281,266 23.281,267 23.281,268 23.281,269 23.281,270 20.546,271 29.158,272 13.636,273 24.349,274 18.084,275 18.084,276 18.084,277 18.084,278 18.084,279 13.753,280 39.065,281 6.209,282 19.529,283 4.133,284 2.056,285 1.074,286 0.69,287 0.608,288 0.431,289 4.254,294 1,295 1012,296 4.062,299 111.91,300 315.11,304 169.572,307 2.256,308 34.222,311 1,312 0.67,313 1,314 0.6,316 1,317 1,318 0.75,319 75,320 472,321 4.575,322 3.585,323 6.585,324 4.099,325 3.135,326 4.513,327 1.659,328 10.529,329 3.023,330 4.283,331 3.329,332 6.197,333 3.886,334 2.933,335 3.921,336 0.86,337 9.273,338 2.789,339 4.08,340 3.15,341 6.044,342 3.726,343 2.81,344 3.575,345 0.86,346 8.662,347 2.571,348 3.991,349 3.027,350 6.037,351 3.582,352 2.652,353 3.493,354 0.86,355 8.625,356 2.457,357 3.678,358 2.961,359 5.4,360 3.277,361 2.335,362 2.994,363 0.86,364 7.015,365 2.184,366 3.509,367 2.549,368 5.092,369 3.085,370 2.15,371 2.798,372 0.564,373 6.11,374 1.993,375 3.327,376 2.228,377 4.97,378 2.859,379 1.908,380 2.63,381 0.133,382 5.701,383 1.809,384 2.999,385 1.967,386 4.488,387 2.581,388 1.663,389 2.22,391 4.379,392 1.511,393 2.956,394 1.932,395 4.354,396 2.532,397 1.588,398 2.073,400 4.164,401 1.495,402 2.854,403 1.827,404 4.074,405 2.425,406 1.464,407 1.959,409 3.582,410 1.392,411 2.692,412 1.471,413 3.886,414 2.256,415 1.347,416 1.751,417 3.079,418 1.214,419 2.123,420 1.014,421 3.263,422 1.684,423 0.772,424 1.005,425 1.833,426 0.692,427 2.118,428 1,429 3.2,430 1.569,431 0.67,432 0.927,433 1.446,434 0.595,435 1.909,436 0.959,437 3,438 1.444,439 0.618,440 0.804,441 1.372,442 0.486,443 1.771,444 0.94,445 2.977,446 1.415,447 0.542,448 0.639,449 1.01,450 0.481,451 16.1,452 0.474,453 0.742,454 0.022,455 46.75,456 1.375,457 24,458 0.706,459 22.75,460 0.669,461 28.055,462 0.825,463 36.7,464 0.633,465 38.204,466 1.124,467 9.515,468 0.28,469 7.001,470 0.206,471 0.145,473 0.342,478 0.889,479 1.317,480 0.716,481 1.061,482 0.703,483 0.93,484 1.188,485 0.982,486 0.848,487 0.845,488 0.783,489 0.747,490 1.216,491 1.052,492 0.999,493 0.989,494 1.11,495 0.924,496 1.146,497 1.216,498 1.165,499 1.213,500 1.102,501 1.135,502 0.994,503 0.925,504 0.891,505 0.934,506 1.316,507 1.037,508 0.962,509 0.997,510 0.833,511 0.92,512 1.075,513 0.962,514 1.112,515 0.892,516 0.919,517 0.848,518 1.257,519 0.978,520 1.043,521 1.013,522 0.97,523 1.013,524 0.692,525 1.022,526 7,527 0.227,528 3.778,529 2.153,530 2.441,531 1.052,532 0.879,533 0.572,534 0.365,535 0.298,536 17564,537 54100,538 2.059,539 41.4,541 16,542 1,543 2,544 2,546 3,549 1.758,550 1.925,551 3.74,552 0.235,554 1,558 100.075,559 1.725,560 3.802,561 4.784,562 5.168,563 5.25,564 5.427,565 3.282,566 4.676,567 5.058,568 3.941,569 2211.08,570 8.859,571 34684.5,576 339.763,577 1.419,578 5.016,579 0.189,580 0.008,581 0.074,582 0.04,583 0.046,584 0.021,585 0.019,586 0.014,587 0.009,588 0.008,589 0.429,590 0.33,591 0.88,592 0.865,593 184.239,594 -0.076,595 -0.185,596 0.065,597 -0.071,598 -0.078,599 -0.016,600 -0.08,601 0.08,602 0.102,603 0.15,604 0.039,605 0.176,606 -0.094,607 0.023,608 -0.087,609 -0.028,610 -0.113,611 -0.021,612 -0.065,613 -0.17,614 -0.221,615 -0.221,616 -0.061,617 -0.207,618 0.097,619 0.043,620 -0.037,621 -0.041,622 0.021,623 -0.091,624 -0.025,625 -0.062,626 0.037,627 -0.005,628 -0.001,629 0.031,630 -0.085,631 0.065,632 -0.046,633 0.058,634 -0.113,635 -0.012,636 -0.049,637 -0.057,638 0.005,639 -0.02,640 -0.018,641 -0.028,642 2.032,643 5.46,644 0.618,645 39.27,646 1.016,647 1.123,648 0.49,649 0.24,650 0.682,651 3.638,652 3.951,653 4.234,654 4.489,655 4.682,656 4.762,657 4.868,658 4.977,659 5.088,660 5.136,661 8.16,662 0.657,663 480.59,664 3.638,665 5.176,666 6.028,667 6.905,668 7.773,669 8.653,670 9.527,671 10.408,672 11.285,673 12.168,674 6.9,681 2,684 2,689 2,690 9,691 2,694 1,695 7,697 22,714 4,716 58,718 23,719 2,720 37,722 61,723 24,724 18,725 7,726 5,728 4,729 5,731 1,732 1,738 1,740 19,741 5,744 1,749 1,753 1,760 24,761 9,762 2,763 10,764 1,769 4,775 0.75,776 5,787 1,793 1,794 3,798 1,819 3,821 1,823 4,827 34,834 2,835 4,837 1,844 1,850 8.6,853 1,855 4,858 17.667,859 11.733,860 7.722,861 3.101,863 3.986,864 1.499,865 0.965,866 7.824,867 11.975,868 3.912,869 4.525,870 5.122,871 5.715,872 6.236,873 6.548,874 6.921,875 7.324,876 7.728,877 7.939,878 1,879 54,880 12.504,881 5.192,882 7.789,883 23.479,884 18.432,885 2.289,886 77.833,890 258.964,891 194.25,892 69.593,894 69.144,896 31.278,897 162.972,898 328.109,899 69.593,900 41.474,901 36.022,902 64.507,903 83.188,904 95.785,905 16.047,906 254.929,908 258.964,909 232.565,910 69.144,911 31.278,913 223.651,914 104.458,917 66.015,918 132.978,919 33.571,920 31.278,921 258.964,922 138.737,923 194.25,926 258.964,927 70.174,928 124.076,929 36.022,930 102.716,931 258.964,932 138.737,933 194.25,935 0.572,936 0.35,937 0.194,938 0.1,939 23,940 11,941 0.131,942 8,943 1,944 1.095,945 4.459,946 312.161,947 0.095,948 21,949 172.974,950 1,954 24.198,955 10.994,956 5.6,957 1.461,958 138.737,959 15.766,960 8.611,963 1.481,964 4.05,966 36.022,967 591.951,968 49,973 12.46,977 -0.365,980 58.956,981 65.112,983 0.295,984 0.649,985 0.817,986 0.882,987 0.896,988 0.926,989 5.139,990 1.663,991 6.009,992 5.701,993 4.635,994 5.212,995 2.506,996 6.817,997 4.497,998 6.348,999 1.588,1000 7.567,1001 4.379,1002 4.205,1003 5.037,1004 1.195,1005 7.703,1006 4.04,1007 7.658,1008 1.464,1009 9.222,1010 4.164,1011 6.229,1012 7.442,1013 2.765,1014 10.786,1015 5.982,1016 9.005,1017 1.347,1018 10.933,1019 3.582,1020 6.621,1021 8.102,1022 2.324,1023 12.471,1024 6.332,1025 10.383,1026 0.772,1027 12.68,1028 3.079,1029 8.089,1030 9.965,1031 3.378,1032 15.06,1033 7.749,1034 11.781,1035 0.67,1036 14.451,1037 1.833,1038 8.858,1039 11.027,1040 3.415,1041 17.084,1042 8.469,1043 13.196,1044 0.618,1045 16.238,1046 1.446,1047 10.105,1048 12.668,1049 4.209,1050 19.497,1051 9.678,1052 3.135,1053 0.542,1054 18.038,1055 1.372,1056 11.052,1057 13.937,1058 4.478,1059 21.676,1060 10.578,1061 2.933,1062 10.529,1063 19.847,1064 1.01,1065 12.21,1066 15.484,1067 5.142,1068 24.025,1069 11.703,1070 2.81,1071 9.273,1072 21.664,1073 4.513,1074 13.241,1075 16.86,1076 5.522,1077 26.278,1078 12.691,1079 2.652,1080 8.662,1081 23.488,1082 3.921,1083 14.365,1084 18.369,1085 6.117,1086 28.607,1087 13.783,1088 2.335,1089 8.625,1090 25.316,1091 3.575,1092 15.436,1093 19.801,1094 6.554,1095 30.898,1096 14.816,1097 2.15,1098 7.015,1099 27.149,1100 3.493,1101 16.549,1102 21.297,1103 7.11,1104 33.224,1105 15.898,1106 1.908,1107 6.11,1108 28.986,1109 2.994,1110 17.642,1111 22.76,1112 7.577,1113 35.536,1114 16.955,1115 16807,1116 29673,1117 24.561,1118 39.557,1119 54.563,1120 56.017,1121 56.598,1122 54.04,1123 54.31,1124 71.879,1125 11.591,1126 155.338,1127 50.362,1128 5.483,1129 5.585,1130 6.182,1131 5.196,1132 5.135,1133 7.513,1134 2.921,1135 17.464,1136 5.023,1137 17.822,1138 1.475,1139 1.514,1140 1.53,1141 1.461,1142 1.468,1143 1.943,1144 0.313,1145 4.198,1146 1.361,1147 4.084,1148 4.1,1149 4.213,1150 3.997,1151 7.431,1152 4.008,1153 3.92,1154 3.947,1155 4.053,1156 3.847,1157 5.084,1158 3.828,1159 3.844,1160 3.869,1161 3.867,1162 3.804,1163 4.887,1164 3.755,1165 3.544,1166 3.57,1167 3.5,1168 3.372,1169 4.847,1170 3.392,1171 3.492,1172 3.537,1173 3.447,1174 3.286,1175 4.722,1176 3.293,1177 3.26,1178 3.32,1179 3.12,1180 3.003,1181 4.51,1182 3.025,1183 3.246,1184 3.312,1185 3.065,1186 2.961,1187 4.473,1188 2.975,1189 3.225,1190 3.294,1191 3.058,1192 2.958,1193 4.234,1194 2.969,1195 0.124,1196 0.097,1197 0.178,1198 0.111,1199 0.085,1200 4.575,1201 0.122,1202 3.585,1203 0.045,1204 6.585,1205 0.285,1206 4.099,1207 0.082,1208 3.135,1209 4.513,1210 1.659,1211 10.529,1212 3.023,1213 2.02,1214 2.006,1215 2.075,1216 2.123,1217 1.207,1218 2.108,1219 1.866,1220 1.848,1221 1.953,1222 1.994,1223 1.066,1224 1.979,1225 1.636,1226 1.59,1227 1.822,1228 1.834,1229 1.035,1230 1.836,1231 1.462,1232 1.439,1233 1.646,1234 1.678,1235 0.658,1236 1.664,1237 1.356,1238 1.325,1239 1.576,1240 1.525,1241 0.575,1242 1.54,1243 1.198,1244 1.144,1245 1.569,1246 1.521,1247 0.573,1248 1.531,1249 1.192,1250 1.12,1251 1.482,1252 1.504,1253 0.556,1254 1.517,1255 1.176,1256 1.117,1257 1.456,1258 1.459,1259 0.518,1260 1.449,1261 4.317,1263 5.631,1264 2.398,1265 7.141,1266 4.443,1267 8.745,1268 6.293,1269 10.4,1271 6.548,1278 5.667,1279 22.373,1281 -0.218,1289 38.115,1290 100.075,1291 220.499,1292 277.459,1293 299.724,1294 304.479,1295 314.743,1296 60.341,1297 7.989,1298 103.83,1299 132.07,1300 23,1301 12.703,1302 4.585,1303 3.7,1304 57.09,1305 168,1306 156,1307 0.165,1308 237.501,1309 408.14,1310 571.262,1311 35855,1313 24.079,1314 0.708,1315 0.586,1316 24.432,1317 19.934,1318 16.516,1319 0.446,1320 0.304,1321 10.199,1322 15.129,1323 9.788,1324 8.188,1325 16.97,1326 11.235,1327 14.365,1328 0.282,1329 0.159,1330 14.948,1331 8.114,1332 12.349,1333 0.182,1334 0.088,1335 13.065,1336 5.984,1337 10.392,1338 0.118,1339 0.046,1340 11.002,1341 4.013,1342 7.966,1343 0.074,1344 0.022,1345 8.266,1346 2.392,1347 0.264,1348 110.101,1349 0.202,1350 31.799,1351 0.437,1352 176,1353 605.494,1354 221.611,1355 585.618,1356 798.79,1357 552,1358 207,1359 570.1,1360 248.567,1361 587.54,1362 855.08,1363 548,1364 5}
{0 CHEMBL1908397,1 1.472,2 11.68,3 2.724,4 7.42,5 100.285,6 7.388,7 0.571,8 3.911,9 4.039,10 3.483,11 3.483,12 4.988,13 3.457,14 4.433,15 4.608,16 3.812,17 3.874,18 5.459,19 3.825,20 4.685,21 4.91,22 3.823,23 3.981,24 5.672,25 3.893,26 4.685,27 4.917,28 3.663,29 3.874,30 5.729,31 3.773,32 4.528,33 4.765,34 3.498,35 3.747,36 5.542,37 3.635,38 4.405,39 4.635,40 3.443,41 3.711,42 5.33,43 3.589,44 4.418,45 4.68,46 3.334,47 3.628,48 5.309,49 3.496,50 4.195,51 4.446,52 3.138,53 3.439,54 5.085,55 3.309,56 0.056,57 0.685,58 9.145,59 3.907,60 6.95,61 5.242,62 0.163,63 1.109,64 16.808,65 6.318,66 14.143,67 8.8,68 0.19,69 1.317,70 23.453,71 8.784,72 25.75,73 12.338,74 0.264,75 1.236,76 24.534,77 8.639,78 46.309,79 11.83,80 0.283,81 1.045,82 21.099,83 7.671,84 42.677,85 10.556,86 0.095,87 0.972,88 17.651,89 7.21,90 22.002,91 10.165,92 0.154,93 0.962,94 18.868,95 6.932,96 25.382,97 10.013,98 0.117,99 0.767,100 14.848,101 5.646,102 18.257,103 8.044,104 2,105 38,106 0.251,107 0.576,108 0.695,109 0.809,110 0.831,111 0.831,112 3.266,113 0.913,114 -3.62,115 -3.59,116 -3.42,118 44.4,124 4,132 2,138 8,139 3,142 1,148 1,153 1,163 1,167 12,170 1,171 4,175 2,178 14,182 7,184 1,186 3,188 11,192 6,197 3,199 7,204 3,206 1,208 3,211 7,215 4,220 4,223 7,228 4,233 3,235 8,240 1,245 1,247 7,252 2,255 2,257 1,260 4,264 873,265 17.413,266 17.413,267 17.413,268 17.413,269 17.413,270 15.36,271 10.372,272 10.451,273 17.65,274 13.826,275 13.826,276 13.826,277 13.826,278 13.826,279 10.67,280 13.198,281 4.96,282 14.164,283 4.019,284 2.116,285 1.422,286 0.756,287 0.622,288 0.622,289 3.97,292 1,293 1,294 1,295 649,296 2.828,299 58.768,300 241.746,303 109.851,307 1.904,308 16.341,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 53,320 292,321 4.533,322 3.693,323 6.526,324 4.045,325 3.063,326 4.486,327 1.2,328 10.265,329 3.005,330 4.264,331 3.063,332 6.391,333 3.957,334 2.973,335 3.811,336 0.4,337 9.667,338 2.926,339 3.864,340 2.578,341 5.42,342 3.499,343 2.514,344 3.237,345 0.293,346 7.116,347 2.476,348 3.467,349 2.419,350 5.171,351 3.108,352 2.139,353 2.815,355 6.188,356 2.064,357 3.281,358 2.034,359 5.073,360 2.949,361 1.972,362 2.43,364 5.877,365 1.923,366 3.046,367 1.838,368 4.186,369 2.528,370 1.546,371 2.318,373 3.765,374 1.516,375 2.775,376 1.667,377 3.899,378 2.45,379 1.497,380 1.81,382 3.319,383 1.423,384 2.66,385 1.546,386 3.593,387 2.197,388 1.205,389 1.671,391 2.815,392 1.194,393 2.5,394 1.203,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.405,403 1.146,404 3.377,405 1.967,406 1,407 1.25,409 2.136,410 0.965,411 2.112,412 1,413 3.247,414 1.868,415 0.878,416 1,417 2.07,418 0.863,419 2,420 0.809,421 3.232,422 1.716,423 0.709,424 0.944,425 1.681,426 0.709,427 1.958,428 0.435,429 2.97,430 1.38,431 0.386,432 0.595,433 0.917,434 0.383,435 1.027,436 -0.101,437 2.373,438 0.626,439 -0.379,440 -0.488,441 -0.904,442 -0.378,443 0.7,444 -0.405,445 2.104,446 0.247,447 -0.745,448 -0.814,449 -1.61,450 -0.734,451 11.933,452 0.477,453 0.448,454 0.018,455 33,456 1.32,457 17,458 0.68,459 16,460 0.64,461 17.41,462 0.696,463 25.867,464 0.575,465 22.991,466 0.92,467 6.78,468 0.271,469 5.53,470 0.221,471 0.028,473 0.285,478 0.734,479 1.155,480 0.787,481 0.975,482 0.562,483 0.897,484 0.922,485 1.128,486 0.961,487 0.983,488 0.639,489 0.965,490 0.925,491 0.999,492 0.955,493 1.013,494 0.777,495 0.986,496 1.561,497 1.006,498 1.127,499 1.021,500 1.881,501 1.032,502 1.349,503 0.855,504 1.065,505 0.91,506 1.781,507 0.961,508 0.638,509 1.112,510 0.969,511 1.138,512 0.634,513 1.105,514 0.81,515 0.936,516 0.956,517 0.954,518 0.671,519 0.966,520 0.821,521 0.942,522 0.989,523 1.002,524 0.821,525 1.013,526 3.5,527 0.115,528 2.889,529 1.479,530 0.796,531 0.486,532 0.372,533 0.205,534 0.108,535 0.128,536 8527,537 20263,538 2.179,539 44.4,541 18,544 2,549 1.672,550 2.113,551 3.504,552 0.233,553 1,554 1,558 66.256,559 1.472,560 3.376,561 4.07,562 4.736,563 4.87,564 4.87,565 2.919,566 4.214,567 4.618,568 3.671,569 1101.36,570 7.942,571 13891,573 1,575 1,576 247.133,577 1.078,578 4.606,579 0.125,580 0.007,581 0.076,582 0.04,583 0.027,584 0.019,585 0.015,586 0.009,587 0.006,588 0.008,589 0.332,590 0.5,591 1,592 0.372,593 123.075,594 0.04,595 0.001,596 0.056,597 0.017,598 -0.012,599 0.033,600 -0.022,601 -0.012,602 -0.06,603 -0.021,604 -0.008,605 -0.038,606 -0.011,607 0.005,608 0.001,609 -0.033,610 0.068,611 -0.013,612 -0.198,613 -0.056,614 -0.117,615 -0.049,616 -0.166,617 -0.07,618 -0.095,619 0.077,620 -0.061,621 0.081,622 -0.173,623 0.021,624 0.01,625 -0.164,626 -0.033,627 -0.117,628 0.013,629 -0.089,630 -0.04,631 0.006,632 0.027,633 0.036,634 0.015,635 0.04,636 -0.05,637 -0.003,638 -0.019,640 -0.061,641 -0.003,642 1.559,643 5.469,644 0.84,645 23.357,646 0.996,647 1.123,648 2.39,649 5.71,650 0.679,651 3.367,652 3.664,653 3.951,654 4.174,655 4.344,656 4.317,657 4.419,658 4.489,659 4.489,660 4.595,661 6.868,662 0.645,663 332.44,664 3.367,665 4.89,666 5.74,667 6.6,668 7.461,669 8.326,670 9.191,671 10.057,672 10.924,673 11.792,674 8.9,676 1,681 1,682 1,684 1,689 2,690 8,691 1,692 1,695 3,697 16,705 1,716 45,718 18,719 2,720 28,722 48,723 20,724 13,725 4,726 8,727 3,728 4,729 5,740 16,741 4,744 2,749 1,751 2,753 1,756 1,757 1,760 20,761 4,762 2,763 5,769 4,775 0.75,776 1,785 1,793 1,794 3,797 1,811 2,815 1,819 3,827 25,833 4,834 1,838 1,850 2.2,853 1,858 11.833,859 7.9,860 5.528,861 2.725,863 3.813,864 1.518,865 1.03,866 4.53,867 11.177,868 3.664,869 4.245,870 4.878,871 5.45,872 5.943,873 6.239,874 6.66,875 7.041,876 7.276,877 7.737,878 0.875,879 37,880 9.239,881 3.93,882 7.62,883 17.912,884 14.845,885 2.12,886 53,889 1,890 211.88,891 121.735,892 54.461,894 25.145,897 121.735,898 237.025,899 54.461,901 11.547,902 112.773,903 46.513,904 27.751,905 2.757,906 211.88,908 211.88,909 176.196,910 25.145,913 211.88,914 25.145,917 48.365,918 92.215,919 35.616,921 211.88,922 79.606,923 121.735,926 211.88,927 26.972,928 97.887,929 34.674,930 41.808,931 211.88,932 79.606,933 121.735,935 0.574,936 0.342,937 0.184,938 0.095,939 19,940 7,941 0.063,942 3,943 1,944 1.095,945 3.92,946 202.21,947 0.095,948 21,949 105.342,954 15.915,955 7.116,956 3.444,957 2.059,958 62.943,959 15.767,960 4.288,961 3.053,964 2.776,966 34.674,967 413.221,968 38,973 12.469,975 4.043,977 0.108,980 44.803,981 50.524,983 0.268,984 0.615,985 0.741,986 0.862,987 0.887,988 0.887,989 4.875,990 1.205,991 5.694,992 3.319,993 4.344,994 4.931,995 1.435,996 6.472,997 4.302,998 6.061,999 1,1000 7.229,1001 2.815,1002 3.761,1003 4.605,1004 0.325,1005 7.318,1006 3.705,1007 7.352,1008 1,1009 8.869,1010 2.275,1011 5.9,1012 7.139,1013 1.523,1014 10.419,1015 5.82,1016 8.684,1017 0.878,1018 10.574,1019 2.136,1020 6.217,1021 7.757,1022 0.653,1023 12.144,1024 6.126,1025 10.054,1026 0.709,1027 12.322,1028 2.07,1029 7.755,1030 9.684,1031 1.741,1032 14.73,1033 7.641,1034 11.452,1035 0.386,1036 14.099,1037 1.681,1038 8.489,1039 10.749,1040 1.001,1041 16.798,1042 8.363,1043 12.87,1044 -0.379,1045 15.896,1046 0.917,1047 9.775,1048 12.423,1049 1.993,1050 19.211,1051 9.629,1052 3.063,1053 -0.745,1054 17.709,1055 -0.904,1056 10.707,1057 13.707,1058 1.37,1059 21.419,1060 10.546,1061 2.973,1062 10.265,1063 19.533,1064 -1.61,1065 11.886,1066 15.272,1067 2.264,1068 23.769,1069 11.706,1070 2.514,1071 9.667,1072 21.366,1073 4.486,1074 12.91,1075 16.664,1076 1.754,1077 26.035,1078 12.714,1079 2.139,1080 7.116,1081 23.205,1082 3.811,1083 14.044,1084 18.183,1085 2.551,1086 28.361,1087 13.83,1088 1.972,1089 6.188,1090 25.05,1091 3.237,1092 15.112,1093 19.627,1094 2.143,1095 30.653,1096 14.88,1097 1.546,1098 5.877,1099 26.899,1100 2.815,1101 16.228,1102 21.129,1103 2.851,1104 32.971,1105 15.978,1106 1.497,1107 3.765,1108 28.751,1109 2.43,1110 17.316,1111 22.598,1112 2.535,1113 35.274,1114 17.048,1115 7883,1116 12265,1117 19.474,1118 30.569,1119 42.444,1120 42.775,1121 42.43,1122 41.793,1123 41.765,1124 55.734,1125 3.786,1126 116.181,1127 40.892,1128 5.533,1129 5.693,1130 6.328,1131 5.112,1132 5.063,1133 7.486,1134 2.293,1135 17.009,1136 5.005,1137 6.241,1138 1.516,1139 1.528,1140 1.515,1141 1.493,1142 1.492,1143 1.991,1144 0.135,1145 4.149,1146 1.46,1147 4.111,1148 4.149,1149 4.074,1150 4.016,1151 7.428,1152 4.024,1153 3.95,1154 3.984,1155 3.896,1156 3.874,1157 5.093,1158 3.874,1159 3.771,1160 3.838,1161 3.659,1162 3.58,1163 4.728,1164 3.591,1165 3.477,1166 3.528,1167 3.387,1168 3.366,1169 4.413,1170 3.364,1171 3.271,1172 3.323,1173 3.197,1174 3.072,1175 4.377,1176 3.094,1177 3.111,1178 3.206,1179 2.952,1180 2.941,1181 4.124,1182 2.91,1183 3.054,1184 3.126,1185 2.866,1186 2.832,1187 3.703,1188 2.852,1189 2.866,1190 2.931,1191 2.733,1192 2.735,1193 3.674,1194 2.725,1195 0.162,1196 0.132,1197 0.233,1198 0.144,1199 0.109,1200 4.533,1201 0.16,1202 3.693,1203 0.043,1204 6.526,1205 0.367,1206 4.045,1207 0.107,1208 3.063,1209 4.486,1210 1.2,1211 10.265,1212 3.005,1213 1.964,1214 1.942,1215 2.059,1216 2.053,1217 1.255,1218 2.054,1219 1.904,1220 1.881,1221 2.007,1222 1.994,1223 1.163,1224 2.001,1225 1.731,1226 1.66,1227 1.941,1228 1.932,1229 1.091,1230 1.942,1231 1.521,1232 1.47,1233 1.657,1234 1.742,1235 0.825,1236 1.712,1237 1.168,1238 1.118,1239 1.513,1240 1.432,1241 0.704,1242 1.429,1243 1.153,1244 1.064,1245 1.318,1246 1.376,1247 0.395,1248 1.402,1249 0.993,1250 0.934,1251 1.212,1252 1.262,1253 0.291,1254 1.255,1255 0.886,1256 0.821,1257 1.181,1258 1.062,1259 0.218,1260 1.107,1261 4.043,1263 5.342,1264 2.398,1265 6.845,1266 4.727,1267 8.431,1268 6.823,1269 10.057,1277 3.274,1278 3.262,1282 1.901,1289 29.015,1290 66.256,1291 151.914,1292 183.133,1293 213.133,1294 219.133,1295 219.133,1296 33.477,1297 7.364,1298 61.02,1299 61.02,1300 23,1301 12.337,1302 4.248,1303 3.459,1304 36.262,1305 105,1306 88,1307 0.168,1308 177.871,1309 301.45,1310 425.764,1311 17016,1313 17.062,1314 0.682,1315 0.556,1316 17.062,1317 13.905,1318 12.31,1319 0.44,1320 0.304,1321 8.427,1322 11.939,1323 8.276,1324 6.842,1325 12.31,1326 8.524,1327 10.661,1328 0.281,1329 0.162,1330 10.661,1331 6.152,1332 9.456,1333 0.185,1334 0.088,1335 9.456,1336 4.495,1337 7.713,1338 0.121,1339 0.048,1340 7.713,1341 3.073,1342 6.066,1343 0.08,1344 0.027,1345 6.066,1346 2.055,1347 0.271,1348 76.418,1349 0.227,1350 24.812,1351 0.439,1352 132,1353 343.691,1354 141.458,1355 339.888,1356 473.47,1357 320,1358 155,1359 355.031,1360 165.624,1361 361.553,1362 527.98,1363 342,1364 5.538}
{0 CHEMBL191003,1 2.109,2 11.074,3 2.35,4 5.521,5 95.039,6 10.113,7 0.586,8 3.831,9 3.929,10 3.765,11 3.35,12 5.175,13 3.377,14 4.294,15 4.403,16 4.067,17 3.692,18 5.973,19 3.726,20 4.516,21 4.664,22 4.096,23 3.74,24 6.069,25 3.787,26 4.554,27 4.712,28 4.082,29 3.625,30 6.416,31 3.691,32 4.417,33 4.611,34 3.837,35 3.475,36 5.937,37 3.54,38 4.269,39 4.458,40 3.821,41 3.419,42 5.905,43 3.466,44 4.198,45 4.384,46 3.609,47 3.348,48 5.662,49 3.355,50 4.157,51 4.363,52 3.564,53 3.28,54 5.69,55 3.266,56 0.28,57 0.806,58 5.893,59 3.296,60 51.983,61 2.568,62 0.606,63 1.202,64 9.485,65 5.675,66 100.388,67 5.195,68 0.899,69 1.4,70 14.956,71 6.625,72 134.378,73 5.539,74 1.301,75 1.388,76 16.792,77 6.27,78 212.248,79 5.613,80 0.974,81 1.096,82 15.43,83 4.543,84 144.126,85 4.411,86 0.731,87 1.1,88 12.195,89 4.218,90 95.054,91 4.437,92 0.721,93 0.9,94 10.559,95 3.884,96 97.31,97 3.563,98 0.71,99 0.783,100 13.325,101 4.612,102 102.648,103 5.149,104 51,105 43,106 0.369,107 0.67,108 0.765,109 0.826,110 0.826,111 0.826,112 3.34,113 0.913,114 -4.08,115 -4.02,116 -3.81,118 38.5,138 7,139 1,140 4,146 1,153 1,157 1,158 2,159 2,160 2,161 1,167 4,170 4,171 2,172 4,173 6,175 2,178 5,181 1,182 5,183 1,184 2,186 4,188 3,190 2,191 1,192 13,194 1,195 1,196 1,197 3,198 1,201 3,204 10,206 1,208 1,215 5,218 2,219 1,220 4,222 1,225 4,228 3,233 5,235 2,237 3,239 4,240 2,242 2,243 2,245 1,247 2,251 2,254 1,255 1,260 4,264 1064,265 17.264,266 17.264,267 17.264,268 17.264,269 17.264,270 14.707,271 22.758,272 9.764,273 17.762,274 14.26,275 14.26,276 14.26,277 14.26,278 14.26,279 10.359,280 34.444,281 4.596,282 15.122,283 3.177,284 1.459,285 0.914,286 0.564,287 0.564,288 0.564,289 4.01,293 1,294 1,295 626,296 3.742,299 80.447,300 194.893,307 1.786,308 59.349,311 1,312 0.83,313 1,314 0.4,316 0.83,317 0.5,318 0.65,319 63,320 299,321 4.801,322 4.661,323 7.111,324 4.229,325 3.314,326 4.66,327 0.98,328 11.657,329 3.096,330 4.565,331 3.763,332 6.848,333 4.176,334 3.212,335 4.238,336 0.4,337 11.222,338 3,339 4.236,340 3.119,341 6.215,342 3.78,343 2.849,344 3.902,346 9.139,347 2.643,348 3.893,349 2.854,350 5.523,351 3.469,352 2.508,353 3.43,355 7.426,356 2.41,357 3.462,358 2.592,359 5.069,360 3.004,361 2.045,362 2.762,364 5.962,365 1.95,366 3.232,367 2.528,368 4.841,369 2.787,370 1.879,371 2.481,373 5.104,374 1.678,375 3.146,376 1.973,377 4.713,378 2.687,379 1.723,380 2.355,382 4.781,383 1.654,384 2.962,385 1.607,386 4.534,387 2.477,388 1.512,389 2.127,391 4.416,392 1.451,393 2.706,394 1.356,395 4.028,396 2.232,397 1.258,398 1.776,400 3.163,401 1.219,402 2.5,403 1.238,404 3.51,405 2,406 1,407 1.5,409 2.275,410 1,411 2.269,412 1,413 3.414,414 1.726,415 0.737,416 1.066,417 1.888,418 0.715,419 1.314,420 0.848,421 3,422 0.959,423 0.029,424 0.035,425 0.078,426 0.027,427 1.171,428 0.474,429 2.634,430 0.74,431 -0.197,432 -0.249,433 -0.482,434 -0.175,435 1,436 0.159,437 2.567,438 0.557,439 -0.347,440 -0.445,441 -0.757,442 -0.303,443 1,444 -0.098,445 2.352,446 0.306,447 -0.62,448 -0.756,449 -1.495,450 -0.569,451 12.305,452 0.456,453 1.008,454 0.037,455 39.25,456 1.454,457 21.5,458 0.796,459 17.75,460 0.657,461 17.715,462 0.656,463 29.695,464 0.761,465 32.922,466 1.219,467 7.94,468 0.294,469 4.724,470 0.175,471 0.193,472 0.068,473 0.358,477 2,478 0.646,479 1.041,480 0.758,481 1.125,482 0.716,483 0.77,484 0.55,485 0.967,486 0.806,487 1.087,488 0.56,489 0.952,490 1.151,491 1.192,492 1.03,493 1.073,494 1.067,495 1.004,496 0.97,497 1.045,498 0.992,499 1.045,500 0.945,501 1.083,502 1.17,503 0.934,504 0.86,505 0.672,506 1.132,507 0.816,508 0.766,509 0.941,510 0.83,511 0.838,512 0.672,513 0.904,514 1.116,515 0.933,516 1.133,517 0.961,518 1.064,519 1.184,520 0.797,521 0.728,522 0.836,523 0.784,524 0.845,525 0.929,526 7.5,527 0.132,528 3.778,529 3.007,530 1.526,531 1.091,532 0.719,533 0.371,534 0.314,535 0.29,536 8604,537 38044,538 1.963,539 30.8,541 7,544 5,549 1.698,550 1.77,551 3.394,552 2.694,553 1,554 1,558 82.243,559 2.109,560 3.826,561 4.371,562 4.721,563 4.721,564 4.721,565 2.908,566 3.912,567 4.727,568 3.624,569 1272.16,570 8.189,571 16517.3,573 1,575 1,576 206.131,577 1.74,578 4.637,579 0.259,580 0.007,581 0.088,582 0.07,583 0.038,584 0.033,585 0.022,586 0.015,587 0.014,588 0.013,589 0.558,590 0.17,591 1,592 0.857,593 134.659,594 -0.067,595 -0.029,596 0.128,597 -0.004,598 -0.17,599 0.103,600 0.175,601 0.01,602 -0.017,603 -0.092,604 0.151,605 -0.076,606 -0.226,607 -0.193,608 -0.149,609 -0.116,610 -0.153,611 -0.082,612 0.123,613 -0.021,614 -0.098,615 -0.148,616 0.153,617 -0.18,618 -0.225,619 -0.076,620 -0.033,621 0.101,622 -0.212,623 0.111,624 0.086,625 0.032,626 0.019,627 -0.001,628 0.097,629 0.007,630 -0.223,631 0.053,632 -0.273,633 -0.09,634 -0.22,635 -0.258,636 0.068,637 0.079,638 0.157,639 0.131,640 0.001,641 0.144,642 4.761,643 5.768,644 0.63,645 24.735,646 1.057,647 1.151,648 2.847,649 8.105,650 0.691,651 3.401,652 3.784,653 4.007,654 4.234,655 4.344,656 4.419,657 4.466,658 4.533,659 4.575,660 4.727,661 6.705,662 0.701,663 394.4,664 3.401,665 4.977,666 5.826,667 6.725,668 7.589,669 8.488,670 9.358,671 10.256,672 11.129,673 12.027,674 15.4,678 2,682 2,684 2,690 7,691 2,695 7,696 1,697 17,708 1,709 1,715 2,716 39,718 20,719 2,720 29,722 41,723 15,724 14,725 5,726 7,727 1,728 3,729 3,740 15,744 3,747 1,749 3,753 1,757 1,758 2,760 12,761 10,762 5,763 12,764 1,769 6,775 1,776 3,793 1,794 2,819 3,821 1,825 2,827 27,828 2,831 1,834 1,847 1,849 2,850 7.7,853 3,858 15.25,859 6.802,860 5.722,861 1.896,863 3.242,864 1.451,865 1.017,866 4.934,867 10.433,868 3.726,869 4.41,870 4.926,871 5.471,872 5.867,873 6.108,874 6.397,875 6.7,876 7.025,877 7.468,878 1,879 43,880 10.298,881 4.93,882 8.602,883 17.526,884 14.26,885 3.102,886 83.75,890 82.398,891 106.379,892 117.424,894 69.458,895 29.92,896 5.807,897 100.572,898 151.856,899 147.345,902 136.33,903 107.611,904 47.422,905 31.819,906 82.398,908 82.398,909 217.996,910 99.378,911 5.807,913 112.318,914 69.458,917 23.586,918 160.962,919 39.256,921 112.318,922 186.882,923 106.379,925 5.807,926 82.398,927 34.238,928 68.11,929 18.011,930 197.015,931 82.398,932 216.803,933 106.379,935 0.605,936 0.346,937 0.175,938 0.083,939 21,940 11,941 0.098,942 4,944 1,945 3.742,946 227.134,948 17,949 116.382,953 1,954 18.92,955 7.042,956 3.955,958 215.026,959 8.232,960 7.571,964 -3.225,965 0.544,966 82.199,967 405.579,968 40.5,971 -3.844,973 34.78,977 -1.131,980 41.229,981 44.878,983 0.399,984 0.724,985 0.827,986 0.893,987 0.893,988 0.893,989 4.985,990 1.512,991 5.883,992 4.781,993 4.466,994 5.097,995 1.176,996 6.758,997 4.351,998 6.266,999 1.258,1000 7.501,1001 4.416,1002 4.369,1003 5.263,1005 7.96,1006 4.154,1007 7.637,1008 1,1009 9.226,1010 3.163,1011 6.18,1012 7.447,1013 1.063,1014 10.982,1015 5.935,1016 9.046,1017 0.737,1018 11.013,1019 2.275,1020 6.836,1021 8.377,1023 12.954,1024 6.486,1025 10.487,1026 0.029,1027 12.841,1028 1.888,1029 8.219,1030 10.121,1031 1.022,1032 15.575,1033 7.835,1034 11.95,1035 -0.197,1036 14.697,1037 0.078,1038 9.182,1039 11.373,1041 17.833,1042 8.699,1043 13.43,1044 -0.347,1045 16.572,1046 -0.482,1047 10.422,1048 12.963,1049 0.993,1050 20.329,1051 9.894,1052 3.314,1053 -0.62,1054 18.463,1055 -0.757,1056 11.509,1057 14.354,1059 22.694,1060 10.893,1061 3.212,1062 11.657,1063 20.365,1064 -1.495,1065 12.702,1066 15.889,1067 0.967,1068 25.15,1069 12.031,1070 2.849,1071 11.222,1072 22.276,1073 4.66,1074 13.84,1075 17.344,1077 27.558,1078 13.09,1079 2.508,1080 9.139,1081 24.194,1082 4.238,1083 15.019,1084 18.861,1085 0.942,1086 30.002,1087 14.207,1088 2.045,1089 7.426,1090 26.117,1091 3.902,1092 16.179,1093 20.347,1095 32.428,1096 15.294,1097 1.879,1098 5.962,1099 28.045,1100 3.43,1101 17.356,1102 21.861,1103 0.917,1104 34.868,1105 16.406,1106 1.723,1107 5.104,1108 29.976,1109 2.762,1110 18.527,1111 23.363,1113 37.303,1114 17.506,1115 8515,1116 18059,1117 18.205,1118 26.966,1119 44.817,1120 47.088,1121 46.439,1122 44.294,1123 44.134,1124 60.668,1125 2.76,1126 134.225,1127 41.689,1128 5.592,1129 6.661,1130 6.657,1131 5.296,1132 5.314,1133 7.66,1134 1.96,1135 19.075,1136 5.096,1137 17.754,1138 1.545,1139 1.624,1140 1.601,1141 1.527,1142 1.522,1143 2.092,1144 0.095,1145 4.628,1146 1.438,1147 4.076,1148 4.088,1149 4.728,1150 4.051,1151 8.211,1152 3.969,1153 3.986,1154 3.998,1155 3.996,1156 3.861,1157 8.191,1158 3.874,1159 3.815,1160 3.861,1161 3.811,1162 3.608,1163 7.726,1164 3.623,1165 3.617,1166 3.618,1167 3.669,1168 3.479,1169 7.428,1170 3.448,1171 3.145,1172 3.17,1173 3.103,1174 2.944,1175 6.999,1176 2.973,1177 2.956,1178 3.076,1179 2.913,1180 2.735,1181 5.23,1182 2.753,1183 2.937,1184 2.985,1185 2.831,1186 2.73,1187 4.835,1188 2.715,1189 2.854,1190 2.925,1191 2.687,1192 2.658,1193 4.741,1194 2.681,1195 0.166,1196 0.161,1197 0.245,1198 0.146,1199 0.114,1200 4.801,1201 0.161,1202 4.661,1203 0.034,1204 7.111,1205 0.402,1206 4.229,1207 0.107,1208 3.314,1209 4.66,1210 0.98,1211 11.657,1212 3.096,1213 1.954,1214 1.96,1215 1.983,1216 2.031,1217 1.15,1218 2.063,1219 1.888,1220 1.87,1221 1.959,1222 2.01,1223 1.047,1224 1.989,1225 1.486,1226 1.504,1227 1.514,1228 1.737,1229 0.549,1230 1.716,1231 1.423,1232 1.361,1233 1.374,1234 1.698,1235 0.432,1236 1.681,1237 1.21,1238 1.151,1239 1.232,1240 1.497,1241 0.218,1242 1.464,1243 0.916,1244 0.859,1245 1.181,1246 1.212,1247 0.169,1248 1.188,1249 0.886,1250 0.821,1251 1.118,1252 1.074,1253 0.072,1254 1.107,1255 0.832,1256 0.787,1257 1.035,1258 1.062,1259 0.039,1260 1.047,1261 4.078,1263 5.442,1264 2.398,1265 6.984,1266 4.727,1267 8.603,1268 6.804,1269 10.261,1273 27.536,1275 10.606,1278 2.681,1289 27.334,1290 82.243,1291 149.218,1292 170.479,1293 184.131,1294 184.131,1295 184.131,1296 82.645,1297 7.191,1298 145.99,1299 154.37,1300 17,1301 12.555,1302 4.392,1303 3.644,1304 47.186,1305 110,1306 95,1307 0.214,1308 172.411,1309 297.54,1310 412.442,1311 12325,1312 5.1,1313 19.767,1314 0.732,1315 0.528,1316 18.277,1317 14.243,1318 12.664,1319 0.437,1320 0.304,1321 7.236,1322 11.164,1323 7.038,1324 5.806,1325 12.737,1326 8.824,1327 12.62,1328 0.293,1329 0.16,1330 12.942,1331 6.863,1332 9.695,1333 0.18,1334 0.081,1335 9.605,1336 4.369,1337 8.104,1338 0.119,1339 0.04,1340 7.601,1341 2.707,1342 5.499,1343 0.072,1344 0.021,1345 5.571,1346 1.628,1347 0.338,1348 90.536,1349 0.234,1350 26.005,1351 0.578,1352 144,1353 652.182,1354 202.686,1355 596.361,1356 775.71,1357 542,1358 169,1359 532.417,1360 233.021,1361 556.741,1362 810.21,1363 519,1364 5}
{0 CHEMBL1929238,1 1.747,2 13.083,3 4.215,4 17.768,5 145.678,6 8.038,7 0.289,8 4.306,9 4.432,10 3.955,11 3.84,12 5.368,13 3.787,14 4.878,15 5.079,16 4.388,17 4.26,18 5.91,19 4.181,20 5.157,21 5.342,22 4.612,23 4.5,24 6.242,25 4.383,26 5.366,27 5.607,28 4.497,29 4.495,30 6.402,31 4.349,32 5.216,33 5.454,34 4.408,35 4.347,36 6.321,37 4.252,38 5.117,39 5.31,40 4.47,41 4.368,42 6.411,43 4.278,44 5.258,45 5.476,46 4.478,47 4.446,48 6.359,49 4.327,50 5.245,51 5.465,52 4.45,53 4.444,54 6.325,55 4.315,56 0.059,57 1.013,58 14.18,59 6.381,60 9.28,61 8.399,62 0.519,63 1.615,64 31.551,65 10.671,66 36.135,67 14.564,68 0.545,69 2.022,70 48.31,71 15.67,72 57.618,73 19.791,74 0.93,75 2.186,76 70.352,77 19.818,78 109.104,79 25.137,80 0.875,81 1.915,82 51.753,83 14.837,84 102.195,85 19.716,86 0.895,87 1.922,88 44.427,89 13.781,90 125.689,91 17.56,92 0.875,93 2.059,94 57.972,95 16.549,96 116.708,97 20.308,98 0.856,99 1.988,100 52.55,101 16.046,102 108.245,103 20.557,104 107,105 55,106 0.277,107 0.56,108 0.732,109 0.802,110 0.823,111 0.823,112 3.616,113 1.051,114 -4.11,115 -4.05,116 -3.84,118 36.2,119 3,120 1,122 1,123 2,124 5,138 4,139 1,140 3,148 1,149 1,153 2,154 1,167 6,170 2,171 5,173 2,174 1,175 3,178 9,181 2,182 2,186 3,188 11,191 1,192 6,195 2,197 6,199 6,203 2,204 7,208 6,211 1,214 4,215 11,218 2,220 4,223 3,228 5,231 1,233 3,235 6,239 1,240 6,243 1,245 1,247 10,251 1,252 9,255 1,260 7,264 2752,265 22.902,266 22.902,267 22.902,268 22.902,269 22.902,270 21.138,271 34.116,272 13.125,273 23.659,274 18.675,275 18.675,276 18.675,277 18.675,278 18.675,279 15.816,280 44.007,281 6.217,282 20.017,283 4.361,284 2.572,285 1.489,286 1.048,287 0.91,288 0.91,289 4.287,290 2,294 1,295 971,296 4.848,299 114.604,300 134.951,301 142.79,307 1.991,308 45.523,311 0.75,312 0.83,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.88,319 78.167,320 471,321 4.583,322 3.767,323 7.14,324 4.336,325 3.37,326 4.174,327 1.94,328 11.845,329 3.263,330 4.328,331 3.696,332 6.599,333 4.004,334 3.031,335 3.985,336 1.656,337 10.374,338 2.945,339 4.198,340 3.577,341 6.347,342 3.868,343 2.961,344 3.386,345 1.2,346 9.465,347 2.677,348 3.958,349 3.522,350 6.031,351 3.748,352 2.79,353 3.117,354 0.8,355 8.593,356 2.645,357 3.728,358 3.357,359 5.749,360 3.416,361 2.488,362 2.926,363 0.555,364 7.765,365 2.284,366 3.51,367 2.647,368 5.218,369 3.164,370 2.229,371 2.698,372 0.293,373 6.378,374 2.06,375 3.21,376 2.605,377 4.831,378 3.094,379 2.173,380 2.374,381 0.247,382 5.205,383 1.997,384 3.177,385 2.394,386 4.663,387 2.733,388 1.809,389 2.213,391 5.15,392 1.597,393 2.866,394 2.317,395 4.58,396 2.564,397 1.583,398 2.028,400 4.455,401 1.54,402 2.781,403 2.169,404 4.37,405 2.426,406 1.496,407 1.8,409 3.967,410 1.362,411 2.707,412 1.825,413 4.218,414 2.359,415 1.414,416 1.694,417 3.852,418 1.283,419 2.658,420 1.492,421 3.866,422 2.243,423 1.301,424 1.682,425 3.179,426 1.203,427 2.204,428 1.191,429 3.61,430 1.745,431 0.784,432 0.968,433 1.91,434 0.747,435 1.825,436 1.174,437 3.14,438 1.635,439 0.656,440 0.768,441 1.599,442 0.624,443 1.54,444 1.168,445 3.038,446 1.126,447 0.361,448 0.403,449 0.847,450 0.225,451 17.762,452 0.493,453 1.31,454 0.036,455 39,456 1.083,457 15.5,458 0.431,459 23.5,460 0.653,461 44.047,462 1.224,463 41.038,464 0.595,465 33.657,466 0.935,467 7.355,468 0.204,469 9.507,470 0.264,471 0.277,472 0.028,473 0.321,478 0.684,479 1.553,480 0.652,481 1.038,482 0.544,483 1.014,484 0.672,485 0.93,486 0.644,487 0.704,488 0.48,489 0.739,490 0.938,491 1.215,492 0.916,493 1.113,494 0.898,495 1.122,496 0.977,497 1.124,498 1.029,499 1.199,500 1.175,501 0.994,502 1.117,503 0.981,504 0.762,505 0.827,506 1.253,507 0.827,508 0.926,509 1.119,510 0.914,511 1.098,512 0.865,513 1.04,514 1.435,515 0.995,516 0.927,517 0.942,518 1.628,519 0.923,520 1.25,521 0.977,522 0.808,523 0.876,524 1.446,525 1.002,526 10,527 0.33,528 5.333,529 2.938,530 2.608,531 1.678,532 1.098,533 0.76,534 0.631,535 0.667,536 17684,537 53119,538 1.925,539 47.8,540 9,541 20,544 2,545 2,549 1.779,550 1.735,551 3.628,552 0.231,558 120.562,559 1.747,560 3.536,561 4.619,562 5.061,563 5.198,564 5.198,565 3.093,566 4.927,567 5.137,568 3.851,569 2425.87,570 9.06,571 38885.2,576 421.488,577 1.716,578 5.05,579 0.263,580 0.007,581 0.097,582 0.05,583 0.048,584 0.031,585 0.02,586 0.014,587 0.013,588 0.013,589 0.556,590 0.33,591 0.88,592 1.176,593 196.258,594 -0.041,595 -0.262,596 0.032,597 -0.046,598 -0.039,599 -0.022,600 0.118,601 0.248,602 0.152,603 0.25,604 0.107,605 0.22,606 -0.031,607 -0.079,608 0.011,609 -0.078,610 -0.04,611 -0.136,612 0.04,613 -0.142,614 0.005,615 -0.104,616 -0.036,617 0.008,618 0.006,619 0.005,620 0.079,621 0.08,622 -0.012,623 0.113,624 0.158,625 0.029,626 -0.048,627 -0.093,628 0.271,629 -0.101,630 -0.225,631 0.053,632 -0.026,633 0.082,634 -0.182,635 0.025,636 -0.145,637 0.049,638 -0.002,639 0.059,640 -0.159,641 -0.055,642 2.198,643 6.616,644 0.5,645 43.327,646 1.007,647 1.133,648 2.877,649 8.275,650 0.669,651 3.664,652 4.025,653 4.22,654 4.407,655 4.615,656 4.779,657 4.771,658 4.844,659 4.942,660 5.088,661 7.815,662 0.623,663 554.6,664 3.664,665 5.231,666 6.066,667 6.95,668 7.809,669 8.695,670 9.565,671 10.453,672 11.329,673 12.219,674 7.2,677 1,681 4,690 4,694 1,695 6,697 11,705 1,715 2,716 69,718 14,719 1,720 38,722 71,723 25,724 10,725 3,726 3,727 1,728 3,729 3,730 2,731 1,732 3,733 1,735 1,738 1,740 13,741 12,744 3,749 3,753 3,760 33,761 8,762 2,763 11,764 3,769 5,775 1,776 3,793 1,794 1,795 1,808 1,816 1,819 3,821 1,823 5,824 2,827 36,833 6,834 2,838 3,839 1,845 1,849 2,850 4.3,853 3,858 20.75,859 13.886,860 7.75,861 4.023,863 2.069,864 1.269,865 0.935,866 9.94,867 9.773,868 3.861,869 4.404,870 4.849,871 5.305,872 5.674,873 5.919,874 5.941,875 6.089,876 6.314,877 6.642,878 0.889,879 59,880 13.44,881 5.697,882 7.87,883 25.374,884 20.542,885 2.37,886 85.306,890 364.904,891 154.431,892 45.394,893 78.297,894 75.435,896 31.278,897 123.153,898 518.636,899 45.394,900 43.268,901 55.333,902 37.905,903 84.844,904 16.997,905 5.634,906 396.182,907 78.297,908 364.904,909 168.547,910 75.435,911 109.575,913 364.904,914 75.435,917 85.863,918 82.685,919 78.297,920 31.278,921 364.904,922 120.829,923 232.728,926 364.904,927 73.257,928 90.546,929 36.022,930 153.732,931 364.904,932 120.829,933 232.728,935 0.598,936 0.33,937 0.157,938 0.089,939 24,940 14,941 0.099,942 7,944 1,945 4.371,946 336.313,948 18,949 179.362,950 1,954 29.017,955 12.332,956 7.733,958 120.829,959 6.799,963 1.361,964 2.741,966 36.022,967 718.461,968 46.5,973 39.032,977 -0.694,980 69.469,981 78.156,983 0.286,984 0.579,985 0.756,986 0.828,987 0.851,988 0.851,989 5.146,990 1.809,991 6.111,992 5.205,993 4.71,994 5.091,995 2.793,996 6.956,997 4.58,998 6.365,999 1.583,1000 7.712,1001 5.15,1002 4.575,1003 5.075,1004 2.125,1005 8.085,1006 4.396,1007 7.689,1008 1.496,1009 9.418,1010 4.455,1011 6.389,1012 7.193,1013 3.515,1014 11.095,1015 6.161,1016 9.043,1017 1.414,1018 11.186,1019 3.967,1020 7.004,1021 7.939,1022 3.506,1023 13.002,1024 6.738,1025 10.428,1026 1.301,1027 12.992,1028 3.852,1029 8.379,1030 9.624,1031 4.52,1032 15.608,1033 8.074,1034 11.833,1035 0.784,1036 14.826,1037 3.179,1038 9.306,1039 10.709,1040 4.826,1041 17.819,1042 8.97,1043 13.255,1044 0.656,1045 16.68,1046 1.91,1047 10.535,1048 12.234,1049 5.658,1050 20.302,1051 10.165,1052 3.37,1053 0.361,1054 18.549,1055 1.599,1056 11.598,1057 13.481,1058 6.127,1059 22.642,1060 11.199,1061 3.031,1062 11.845,1063 20.432,1064 0.847,1065 12.78,1066 14.94,1067 6.869,1068 25.09,1069 12.353,1070 2.961,1071 10.374,1072 22.324,1073 4.174,1074 13.903,1075 16.266,1076 7.424,1077 27.488,1078 13.449,1079 2.79,1080 9.465,1081 24.224,1082 3.985,1083 15.075,1084 17.698,1085 8.121,1086 29.93,1087 14.594,1088 2.488,1089 8.593,1090 26.132,1091 3.386,1092 16.228,1093 19.064,1094 8.722,1095 32.356,1096 15.721,1097 2.229,1098 7.765,1099 28.045,1100 3.117,1101 17.402,1102 20.485,1103 9.397,1104 34.802,1105 16.869,1106 2.173,1107 6.378,1108 29.964,1109 2.926,1110 18.572,1111 21.873,1112 10.024,1113 37.244,1114 18.012,1115 17665,1116 30974,1117 23.581,1118 46.176,1119 58.151,1120 61.332,1121 59.962,1122 57.263,1123 57.101,1124 68.675,1125 13.384,1126 169.647,1127 53.113,1128 5.541,1129 5.767,1130 6.677,1131 5.478,1132 5.37,1133 7.174,1134 3.348,1135 19.122,1136 5.263,1137 25.793,1138 1.53,1139 1.614,1140 1.578,1141 1.507,1142 1.503,1143 1.807,1144 0.352,1145 4.464,1146 1.398,1147 4.013,1148 4.036,1149 4.275,1150 3.997,1151 7.434,1152 3.943,1153 3.902,1154 3.922,1155 4.117,1156 3.856,1157 7.427,1158 3.844,1159 3.839,1160 3.89,1161 3.776,1162 3.654,1163 7.425,1164 3.667,1165 3.649,1166 3.729,1167 3.522,1168 3.475,1169 5.042,1170 3.469,1171 3.576,1172 3.636,1173 3.494,1174 3.392,1175 4.636,1176 3.39,1177 3.401,1178 3.444,1179 3.423,1180 3.121,1181 4.493,1182 3.166,1183 3.292,1184 3.376,1185 3.346,1186 3.102,1187 4.353,1188 3.096,1189 3.266,1190 3.322,1191 3.297,1192 3.04,1193 4.301,1194 3.048,1195 0.121,1196 0.099,1197 0.188,1198 0.114,1199 0.089,1200 4.583,1201 0.11,1202 3.767,1203 0.051,1204 7.14,1205 0.312,1206 4.336,1207 0.086,1208 3.37,1209 4.174,1210 1.94,1211 11.845,1212 3.263,1213 1.875,1214 1.858,1215 1.984,1216 1.967,1217 1.227,1218 1.967,1219 1.791,1220 1.754,1221 1.934,1222 1.95,1223 1.205,1224 1.949,1225 1.706,1226 1.647,1227 1.926,1228 1.919,1229 1.152,1230 1.941,1231 1.684,1232 1.637,1233 1.86,1234 1.876,1235 1.056,1236 1.881,1237 1.514,1238 1.457,1239 1.766,1240 1.767,1241 0.984,1242 1.77,1243 1.467,1244 1.401,1245 1.589,1246 1.682,1247 0.748,1248 1.662,1249 1.244,1250 1.204,1251 1.51,1252 1.473,1253 0.697,1254 1.462,1255 1.132,1256 1.036,1257 1.417,1258 1.374,1259 0.469,1260 1.42,1261 4.344,1263 5.694,1264 2.398,1265 7.203,1266 4.844,1267 8.785,1268 7.034,1269 10.409,1271 10.084,1272 12.251,1277 2.901,1278 5.518,1282 5.53,1283 -0.218,1289 42.995,1290 120.562,1291 243.987,1292 318.72,1293 349.184,1294 358.694,1295 358.694,1296 116.769,1297 7.704,1298 84.99,1299 113.23,1300 18,1301 12.751,1302 3.907,1303 3.248,1304 73.444,1305 162,1306 186,1307 0.212,1308 278.737,1309 491.36,1310 671.877,1311 24100,1312 2.9,1313 26.621,1314 0.739,1315 0.656,1316 27.974,1317 23.611,1318 16.862,1319 0.444,1320 0.35,1321 11.705,1322 15.233,1323 11.065,1324 9.242,1325 17.848,1326 13.319,1327 16.545,1328 0.301,1329 0.215,1330 17.875,1331 11.848,1332 12.499,1333 0.187,1334 0.121,1335 14.428,1336 8.116,1337 9.356,1338 0.116,1339 0.063,1340 10.766,1341 5.117,1342 7.366,1343 0.074,1344 0.035,1345 8.532,1346 3.524,1347 0.333,1348 116.086,1349 0.206,1350 32.878,1351 0.583,1352 186,1353 564.075,1354 260.379,1355 622.013,1356 807.8,1357 574,1358 215,1359 512.927,1360 286.92,1361 557.899,1362 813.78,1363 518,1364 5.06}
{0 CHEMBL1945559,1 1.735,2 7.583,3 2.232,4 4.983,5 93.426,6 9.082,7 0.37,8 3.818,9 3.929,10 3.554,11 3.425,12 4.927,13 3.403,14 4.409,15 4.569,16 4.029,17 3.912,18 5.436,19 3.869,20 4.754,21 4.935,22 4.341,23 4.176,24 5.826,25 4.105,26 4.897,27 5.099,28 4.295,29 4.226,30 6.009,31 4.142,32 4.866,33 5.072,34 4.135,35 4.093,36 6.124,37 4.007,38 4.665,39 4.867,40 4.017,41 3.866,42 6.065,43 3.774,44 4.362,45 4.58,46 3.716,47 3.586,48 5.594,49 3.437,50 4.163,51 4.443,52 3.24,53 3.273,54 5.079,55 3.026,56 0.067,57 0.605,58 5.808,59 3.289,60 11.268,61 4.068,62 0.226,63 1.037,64 13.966,65 6.208,66 25.645,67 7.915,68 0.469,69 1.374,70 27.887,71 9.345,72 51.633,73 11.814,74 0.424,75 1.528,76 30.068,77 11.335,78 53.595,79 14.64,80 0.603,81 1.405,82 32.687,83 10.539,84 102.237,85 12.629,86 0.665,87 1.115,88 28.921,89 8.478,90 114.897,91 10.178,92 0.459,93 0.8,94 21.82,95 6.514,96 70.776,97 8.138,98 0.306,99 0.562,100 25.137,101 6.621,102 41.969,103 8.857,104 27,105 42,106 0.306,107 0.687,108 0.811,109 0.829,110 0.829,111 0.829,112 3.232,113 0.961,114 -3.35,115 -3.33,116 -3.19,118 42.5,120 2,121 1,123 1,124 2,128 1,138 2,139 2,140 2,148 2,153 2,167 4,171 3,173 1,175 5,178 7,181 1,182 5,184 1,186 1,188 8,192 9,195 1,196 1,197 2,199 6,203 1,204 4,208 2,211 4,214 1,215 3,218 2,220 3,223 3,228 2,231 1,233 2,235 2,240 1,245 1,247 2,257 1,264 674,265 16.121,266 16.121,267 16.121,268 16.121,269 16.121,270 14.595,271 24.352,272 8.96,273 16.53,274 13.173,275 13.173,276 13.173,277 13.173,278 13.173,279 10.737,280 39.491,281 4.034,282 13.967,283 3.587,284 1.425,285 0.719,286 0.619,287 0.619,288 0.619,289 3.921,290 2,292 1,293 1,294 1,295 396,296 2.915,299 32.36,300 144.977,303 130.512,307 1.083,308 31.109,310 1,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 51.667,320 182,321 4.91,322 4.256,323 7.772,324 4.627,325 3.648,326 4.839,327 2.517,328 14.63,329 3.57,330 4.492,331 3.765,332 7.161,333 4.229,334 3.275,335 3.779,336 1.058,337 12.444,338 3.128,339 4.03,340 3.468,341 6.355,342 3.624,343 2.7,344 3.365,345 0.4,346 9.365,347 2.496,348 3.707,349 3.299,350 5.947,351 3.309,352 2.333,353 3.039,355 7.968,356 2.221,357 3.449,358 2.975,359 5.467,360 2.96,361 2.034,362 2.672,364 6.411,365 1.817,366 3.357,367 2.406,368 5.058,369 2.697,370 1.731,371 2.253,373 5.128,374 1.647,375 2.889,376 2.057,377 4.469,378 2.503,379 1.57,380 1.819,382 3.769,383 1.448,384 2.692,385 1.96,386 4.09,387 2.211,388 1.297,389 1.56,391 3.185,392 1.146,393 2.553,394 1.83,395 3.732,396 1.984,397 1,398 1.447,400 2.278,401 0.983,402 2,403 1.304,404 3.657,405 1.91,406 0.951,407 1,409 2.23,410 0.891,411 1.7,412 1.077,413 3.37,414 1.04,415 0.219,416 0.262,417 0.501,418 0.139,419 1.46,420 0.821,421 2.936,422 0.896,423 0.038,424 0.052,425 0.068,426 0.033,427 1,428 0.528,429 2.803,430 0.73,431 -0.246,432 -0.316,433 -0.595,434 -0.222,435 0.91,436 0.099,437 2.757,438 0.523,439 -0.394,440 -0.468,441 -0.963,442 -0.347,443 0.646,444 -0.038,445 2.604,446 0.295,447 -0.643,448 -0.757,449 -1.828,450 -0.551,451 11.862,452 0.494,453 0.759,454 0.032,455 28.75,456 1.198,457 12.5,458 0.521,459 16.25,460 0.677,461 23.828,462 0.993,463 25.338,464 0.633,465 21.001,466 0.875,467 5.242,468 0.218,469 6.257,470 0.261,471 0.224,472 0.042,473 0.371,478 0.681,479 1.272,480 0.529,481 0.835,482 0.469,483 0.804,484 0.691,485 1.057,486 0.564,487 0.733,488 0.449,489 0.756,490 0.723,491 0.959,492 0.659,493 0.828,494 0.677,495 0.867,496 0.752,497 1.08,498 0.714,499 0.992,500 0.797,501 0.977,502 1.394,503 1.038,504 0.954,505 0.959,506 1.79,507 1.007,508 1.259,509 1.049,510 1.084,511 1.067,512 1.592,513 1.089,514 0.972,515 1.017,516 1.158,517 1.167,518 1.155,519 1.238,520 0.827,521 0.936,522 1.352,523 1.181,524 0.441,525 1.145,526 5,527 0.012,528 3.778,529 3.486,530 2.738,531 1.556,532 0.71,533 0.309,534 0.123,535 0.046,536 5069,537 16609,538 2.074,539 40,541 9,544 2,545 1,547 4,549 1.681,550 1.882,551 2.877,552 0.337,553 1,554 1,558 69.39,559 1.735,560 3.896,561 4.603,562 4.703,563 4.703,564 4.703,565 2.37,566 4.137,567 4.558,568 2.961,569 817.118,570 7.928,571 8855.32,572 1,573 1,575 1,576 212.877,577 1.724,578 4.481,579 0.185,580 0.012,581 0.09,582 0.07,583 0.055,584 0.038,585 0.022,586 0.016,587 0.012,588 0.011,589 0.512,590 0.5,591 1,592 0.854,593 108.356,594 -0.074,595 -0.095,596 0.006,597 0.016,598 0.024,599 0.038,600 -0.006,601 0.06,602 0.069,603 0.148,604 0.048,605 0.136,606 0.08,607 0.091,608 0.123,609 0.098,610 0.017,611 0.066,612 0.053,613 -0.087,614 0.058,615 -0.05,616 0.028,617 -0.007,618 -0.235,619 -0.064,620 -0.097,621 -0.018,622 -0.249,623 -0.065,624 -0.002,625 -0.074,626 -0.093,627 -0.115,628 0.012,629 -0.154,630 0.059,631 -0.057,632 -0.065,633 -0.179,634 -0.015,635 -0.256,636 0.065,637 -0.16,638 0.025,639 -0.054,640 0.119,641 0.01,642 1.815,643 5.869,644 0.75,645 15.181,646 1.014,647 1.125,648 2.119,649 4.49,650 0.713,651 3.332,652 3.761,653 4.174,654 4.564,655 4.875,656 5.075,657 5.247,658 5.394,659 5.416,660 5.361,661 4.511,662 0.679,663 363.27,664 3.332,665 4.934,666 5.861,667 6.819,668 7.769,669 8.735,670 9.692,671 10.662,672 11.622,673 12.593,674 10,676 1,681 1,682 1,683 1,689 2,690 2,695 4,696 1,697 10,704 1,715 2,716 40,718 12,719 1,720 27,722 43,723 17,724 8,725 4,726 2,727 1,728 4,729 7,730 2,735 2,736 2,738 2,739 1,740 9,741 7,742 2,744 1,749 1,753 1,756 1,757 1,760 16,761 4,762 2,763 7,764 2,769 4,775 0.25,776 1,789 1,793 1,794 3,797 2,803 1,815 1,819 1,823 1,824 2,827 24,833 4,834 2,837 1,839 1,842 1,846 1,848 1,849 2,850 2.5,853 1,858 12.75,859 7.602,860 5.208,861 2.491,863 2.325,864 1.305,865 0.994,866 3.719,867 9.944,868 3.584,869 4.223,870 4.906,871 5.606,872 6.186,873 6.661,874 7.07,875 7.454,876 7.617,877 7.659,878 1,879 50,880 8.936,881 4.077,882 7.874,883 16.947,884 14.981,885 2.374,886 56.972,890 164.795,891 75.596,892 68.98,893 78.297,894 25.145,897 75.596,898 268.238,899 68.98,900 8.396,901 27.291,902 36.963,903 46.451,904 45.718,905 4.901,906 164.795,907 78.297,908 164.795,909 144.576,910 25.145,911 78.297,913 117.711,914 72.229,917 78.26,918 66.316,919 78.297,921 164.795,922 94.125,923 153.894,926 164.795,927 31.646,928 29.248,929 52.623,930 134.502,931 164.795,932 94.125,933 153.894,935 0.6,936 0.391,937 0.233,938 0.132,939 24,940 11,943 2,944 1.278,945 3.291,946 225.604,947 0.222,948 19,949 106.039,954 16.075,955 5.553,956 2.119,957 1.539,958 92.226,959 3.586,964 2.131,965 1.756,966 36.022,967 412.814,968 35,973 12.869,977 -0.149,980 40.567,981 44.997,983 0.326,984 0.732,985 0.865,986 0.884,987 0.884,988 0.884,989 4.909,990 1.297,991 5.927,992 3.769,993 4.443,994 4.909,995 2.787,996 6.929,997 4.339,998 6.175,999 1,1000 7.612,1001 3.185,1002 4.369,1003 5.017,1005 8.366,1006 4.214,1007 7.554,1008 0.951,1009 9.41,1010 2.278,1011 6.256,1012 7.23,1013 4.429,1014 11.535,1015 6.092,1016 8.97,1017 0.219,1018 11.274,1019 2.23,1020 7.004,1021 8.173,1023 13.774,1024 6.804,1025 10.421,1026 0.038,1027 13.181,1028 0.501,1029 8.442,1030 9.936,1031 6.239,1032 16.556,1033 8.231,1034 11.897,1035 -0.246,1036 15.117,1037 0.068,1038 9.515,1039 11.24,1041 19.07,1042 9.279,1043 13.392,1044 -0.394,1045 17.074,1046 -0.595,1047 10.822,1048 12.862,1049 8.078,1050 21.755,1051 10.571,1052 3.648,1053 -0.643,1054 19.047,1055 -0.963,1056 12.018,1057 14.32,1059 24.365,1060 11.745,1061 3.275,1062 14.63,1063 21.032,1064 -1.828,1065 13.291,1066 15.9,1067 9.923,1068 27.029,1069 13.001,1070 2.7,1071 12.444,1072 23.027,1073 4.839,1074 14.533,1075 17.423,1077 29.674,1078 14.224,1079 2.333,1080 9.365,1081 25.029,1082 3.779,1083 15.801,1084 18.994,1085 11.769,1086 32.337,1087 15.474,1088 2.034,1089 7.968,1090 27.038,1091 3.365,1092 17.062,1093 20.546,1095 34.997,1096 16.717,1097 1.731,1098 6.411,1099 29.052,1100 3.039,1101 18.334,1102 22.116,1103 13.615,1104 37.664,1105 17.97,1106 1.57,1107 5.128,1108 31.07,1109 2.672,1110 19.605,1111 23.68,1113 40.332,1114 19.222,1115 4948,1116 9058,1117 17.512,1118 28.523,1119 43.369,1120 46.706,1121 45.713,1122 41.655,1123 41.591,1124 52.174,1125 7.95,1126 135.954,1127 39.039,1128 5.91,1129 6.256,1130 7.504,1131 5.672,1132 5.648,1133 7.839,1134 5.034,1135 23.002,1136 5.57,1137 12.99,1138 1.606,1139 1.73,1140 1.693,1141 1.543,1142 1.54,1143 1.932,1144 0.294,1145 5.035,1146 1.446,1147 4.19,1148 4.216,1149 4.255,1150 4.11,1151 7.429,1152 4.118,1153 3.861,1154 3.914,1155 3.89,1156 3.741,1157 6.817,1158 3.74,1159 3.552,1160 3.591,1161 3.641,1162 3.423,1163 5.08,1164 3.424,1165 3.367,1166 3.441,1167 3.403,1168 3.171,1169 4.605,1170 3.189,1171 3.195,1172 3.248,1173 3.276,1174 2.941,1175 4.473,1176 2.959,1177 3.111,1178 3.206,1179 3.231,1180 2.916,1181 4.375,1182 2.91,1183 2.986,1184 3.032,1185 3.01,1186 2.888,1187 4.026,1188 2.877,1189 2.841,1190 2.901,1191 2.866,1192 2.667,1193 3.932,1194 2.634,1195 0.182,1196 0.158,1197 0.288,1198 0.171,1199 0.135,1200 4.91,1201 0.179,1202 4.256,1203 0.093,1204 7.772,1205 0.542,1206 4.627,1207 0.132,1208 3.648,1209 4.839,1210 2.517,1211 14.63,1212 3.57,1213 1.967,1214 1.948,1215 2.075,1216 2.082,1217 1.447,1218 2.082,1219 1.878,1220 1.842,1221 1.95,1222 1.994,1223 1.165,1224 1.991,1225 1.611,1226 1.557,1227 1.774,1228 1.814,1229 0.968,1230 1.808,1231 1.308,1232 1.243,1233 1.541,1234 1.529,1235 0.825,1236 1.54,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.672,1242 1.429,1243 1.063,1244 1.012,1245 1.202,1246 1.359,1247 0.379,1248 1.313,1249 0.944,1250 0.908,1251 1.16,1252 1.134,1253 0.203,1254 1.154,1255 0.784,1256 0.734,1257 0.968,1258 0.976,1259 0.053,1260 0.983,1261 4.007,1263 5.407,1264 2.398,1265 7.034,1266 4.949,1267 8.769,1268 7.261,1269 10.559,1271 1.789,1272 12.542,1277 3.026,1278 6.421,1281 -0.409,1283 -0.523,1287 9.944,1288 2.449,1289 27.143,1290 69.39,1291 155.858,1292 184.122,1293 188.122,1294 188.122,1295 188.122,1296 50.233,1297 7.619,1298 69.85,1299 69.85,1300 23,1301 13.071,1302 3.7,1303 3.17,1304 33.417,1305 65,1306 64,1307 0.269,1308 171.614,1309 296.15,1310 410.498,1311 17691,1312 5,1313 17.06,1314 0.711,1315 0.61,1316 18.06,1317 14.631,1318 11.499,1319 0.426,1320 0.32,1321 7.859,1322 10.607,1323 7.612,1324 6.199,1325 12.076,1326 8.647,1327 10.788,1328 0.257,1329 0.173,1330 11.492,1331 7.286,1332 10.033,1333 0.157,1334 0.096,1335 11.001,1336 6.123,1337 9.227,1338 0.097,1339 0.049,1340 9.781,1341 4.625,1342 7.692,1343 0.059,1344 0.026,1345 8.172,1346 3.382,1347 0.39,1348 77.778,1349 0.239,1350 22.14,1351 0.851,1352 138,1353 384.098,1354 178.136,1355 436.531,1356 576.98,1357 404,1358 175,1359 379.32,1360 214.576,1361 405.744,1362 608.93,1363 382,1364 5}
{0 CHEMBL1957190,1 1.391,2 6.143,3 3.631,4 13.186,5 82.505,6 7.352,7 0.458,8 3.741,9 3.846,10 3.318,11 3.376,12 4.785,13 3.339,14 4.327,15 4.49,16 3.758,17 3.824,18 5.317,19 3.775,20 4.602,21 4.799,22 3.888,23 3.96,24 5.652,25 3.909,26 4.643,27 4.826,28 3.913,29 3.994,30 5.761,31 3.934,32 4.625,33 4.788,34 3.779,35 3.971,36 5.823,37 3.882,38 4.681,39 4.898,40 3.482,41 3.859,42 5.767,43 3.711,44 4.576,45 4.842,46 2.813,47 3.509,48 5.621,49 3.287,50 4.047,51 4.428,52 1.483,53 2.783,54 4.57,55 2.385,56 0.01,57 0.5,58 7.544,59 3.724,60 4.134,61 4.801,62 0.053,63 0.9,64 15.006,65 6.624,66 10.824,67 8.817,68 0.177,69 1.172,70 21.38,71 8.218,72 23.707,73 10.899,74 0.256,75 1.179,76 22.155,77 8.961,78 29.073,79 11.708,80 0.251,81 1.14,82 21.243,83 8.97,84 56.962,85 11.442,86 0.203,87 1.161,88 24.197,89 9.934,90 50.75,91 12.974,92 0.369,93 0.995,94 24.217,95 8.773,96 82.091,97 11.38,98 0.142,99 0.601,100 15.38,101 5.671,102 28.479,103 8.493,104 18,105 37,106 0.248,107 0.57,108 0.751,109 0.798,110 0.817,111 0.827,112 3.108,113 0.944,114 -3.96,115 -3.91,116 -3.71,118 47.4,119 2,120 3,126 1,138 4,139 4,148 2,152 2,167 9,171 10,178 12,182 8,188 10,191 2,192 6,199 14,203 1,204 6,211 13,215 7,223 12,228 2,235 7,247 1,264 436,265 14.173,266 14.173,267 14.173,268 14.173,269 14.173,270 12.738,271 13.063,272 8.042,273 14.224,274 11.83,275 11.83,276 11.83,277 11.83,278 11.83,279 9.337,280 10.391,281 3.751,282 11.9,283 3.856,284 2.055,285 1.04,286 0.777,287 0.671,288 0.619,289 3.799,292 1,293 1,294 1,295 283,296 2.739,299 46.658,300 66.589,302 38.279,303 95.28,306 125.181,307 0.925,308 23.268,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 44.5,320 129,321 4.9,322 3.85,323 7.43,324 4.546,325 3.561,326 4.675,327 1.277,328 13.616,329 3.517,330 4.245,331 3.539,332 6.563,333 3.904,334 2.903,335 3.821,337 10.272,338 2.909,339 3.861,340 3.162,341 6.288,342 3.58,343 2.598,344 3.156,346 9.124,347 2.533,348 3.462,349 2.587,350 5.557,351 3.081,352 2.058,353 2.757,355 6.632,356 2.102,357 3.199,358 2.244,359 5.376,360 2.885,361 1.883,362 2.379,364 6.091,365 1.88,366 2.984,367 2.043,368 4.807,369 2.747,370 1.739,371 2.058,373 4.77,374 1.745,375 2.803,376 1.527,377 4.126,378 2.442,379 1.442,380 1.894,382 3.299,383 1.442,384 2.452,385 1.318,386 3.754,387 2.177,388 1.172,389 1.377,391 2.776,392 1.176,393 2.373,394 1.261,395 3.627,396 1.949,397 0.955,398 1.343,400 2.446,401 0.947,402 2.075,403 1.013,404 3.426,405 1.659,406 0.63,407 0.864,409 1.604,410 0.642,411 1.113,412 0.595,413 2.796,414 0.828,415 -0.215,416 -0.263,417 -0.516,418 -0.222,419 0.997,420 0.035,421 2.559,422 0.54,423 -0.523,424 -0.725,425 -1.262,426 -0.55,427 0.627,428 -0.424,429 2.356,430 0.219,431 -0.771,432 -0.872,433 -2,434 -0.762,435 0.441,436 -0.759,437 2.309,438 0.183,439 -0.823,440 -1,441 -2.042,442 -0.825,443 0.324,444 -0.889,445 2,447 -1,448 -1.086,449 -2.264,450 -1,451 10.067,452 0.479,453 0.649,454 0.031,455 26.25,456 1.25,457 13,458 0.619,459 13.25,460 0.631,461 18.389,462 0.876,463 21.733,464 0.572,465 17.627,466 0.839,467 4.716,468 0.225,469 5.393,470 0.257,471 0.166,473 0.487,478 0.53,479 1.121,480 0.747,481 0.98,482 0.485,483 0.905,484 0.603,485 1.082,486 0.709,487 0.912,488 0.496,489 0.834,490 1.055,491 0.908,492 0.828,493 0.804,494 0.86,495 0.773,496 0.982,497 0.973,498 0.88,499 0.946,500 1.043,501 0.906,502 1.089,503 1.194,504 1.217,505 1.257,506 1.082,507 1.252,508 1.183,509 1.184,510 1.264,511 1.281,512 1.229,513 1.29,514 1.771,515 0.952,516 1.419,517 1.049,518 1.934,519 1.179,520 0.384,521 0.696,522 0.773,523 0.772,524 0.424,525 0.82,526 3,528 2.444,529 3.09,530 2.141,531 1.282,532 0.325,533 0.13,536 3557,537 8275,538 2.126,539 44.7,540 2,541 5,545 4,546 6,549 1.645,550 1.938,551 2.635,552 -0.844,554 1,556 1,558 52.876,559 1.391,560 3.193,561 4.208,562 4.471,563 4.577,564 4.629,565 2.147,566 3.88,567 4.366,568 2.725,569 572.338,570 7.55,571 5767.89,572 1,573 1,574 1,575 1,576 199.421,577 1.494,578 4.303,579 0.125,581 0.066,582 0.075,583 0.052,584 0.038,585 0.014,586 0.014,589 0.385,590 1,591 1,592 0.874,593 89.643,594 0.005,595 -0.059,596 0.061,597 0.017,598 -0.019,599 0.039,600 0.036,601 -0.032,602 0.17,603 0.066,604 0.031,605 0.123,606 -0.065,607 0.158,608 0.127,609 0.141,610 -0.013,611 0.163,612 0.096,613 0.042,614 0.073,615 0.018,616 0.007,617 0.037,618 0.014,619 -0.203,620 -0.288,621 -0.288,622 0.063,623 -0.318,624 -0.112,625 -0.261,626 -0.284,627 -0.301,628 -0.058,629 -0.314,630 -0.296,631 -0.07,632 -0.339,633 -0.081,634 -0.292,635 -0.199,636 0.125,637 0.155,638 0.314,639 0.227,640 0.057,641 0.283,642 1.647,643 5.776,644 0.762,645 12.249,646 0.995,647 1.112,648 2.728,649 7.444,650 0.684,651 3.219,652 3.638,653 4.06,654 4.5,655 4.828,656 5.037,657 5.209,658 5.293,659 5.263,660 5.226,661 4.012,662 0.649,663 279.36,664 3.219,665 4.812,666 5.74,667 6.698,668 7.656,669 8.625,670 9.592,671 10.565,672 11.535,673 12.508,674 2.6,682 1,690 4,695 6,696 1,697 11,702 2,716 38,718 13,719 1,720 24,722 41,723 18,724 10,725 2,726 4,727 2,728 4,729 10,732 2,735 3,738 4,740 12,741 6,744 2,749 2,753 2,756 1,757 1,760 17,761 2,763 3,769 1,775 0.25,776 2,789 1,793 2,794 2,796 1,797 2,800 2,819 1,823 2,827 21,833 3,837 1,850 5.3,853 2,858 10.833,859 7.7,860 4.472,861 2.667,863 2.43,864 1.323,865 1.027,866 2.578,867 9.944,868 3.481,869 4.139,870 4.857,871 5.561,872 6.142,873 6.581,874 6.999,875 7.346,876 7.585,877 7.783,878 1,879 41,880 7.866,881 3.572,882 7.746,883 15.218,884 13.512,885 2.246,886 47.167,887 0.001,890 200.109,891 91.682,892 1.899,894 50.29,897 91.682,898 250.399,899 1.899,900 17.65,901 7.604,902 37.905,903 60.557,904 14.641,905 5.513,906 200.109,908 200.109,909 93.581,910 50.29,913 129.482,914 120.916,917 27.153,918 66.428,921 200.109,922 52.189,923 91.682,926 200.109,927 36.126,928 57.454,930 50.29,931 200.109,932 52.189,933 91.682,935 0.599,936 0.378,937 0.238,938 0.145,939 22,940 10,941 0.024,942 1,943 3,944 1.375,945 3.115,946 188.254,947 0.375,948 16,949 90.239,954 12.731,955 4.253,956 1.526,958 50.29,959 7.701,964 5.099,965 2.214,967 343.979,968 31.5,973 25.188,977 0.152,980 37.825,981 42.239,983 0.265,984 0.608,985 0.802,986 0.852,987 0.872,988 0.882,989 4.777,990 1.172,991 5.778,992 3.299,993 4.317,994 4.824,995 1.45,996 6.749,997 4.308,998 6.024,999 0.955,1000 7.432,1001 2.776,1002 4.111,1003 4.832,1005 7.949,1006 4.094,1007 7.381,1008 0.63,1009 9.191,1010 2.446,1011 6.047,1012 7.104,1013 1.845,1014 11.181,1015 6.016,1016 8.781,1017 -0.215,1018 11.012,1019 1.604,1020 6.686,1021 7.974,1023 13.24,1024 6.643,1025 10.221,1026 -0.523,1027 12.871,1028 -0.516,1029 8.147,1030 9.759,1031 2.271,1032 16.018,1033 8.09,1034 11.691,1035 -0.771,1036 14.757,1037 -1.262,1038 9.152,1039 11.008,1041 18.415,1042 9.083,1043 13.184,1044 -0.823,1045 16.663,1046 -2,1047 10.458,1048 12.622,1049 2.72,1050 21.06,1051 10.376,1052 3.561,1053 -1,1054 18.585,1055 -2.042,1056 11.615,1057 14.034,1059 23.587,1060 11.519,1061 2.903,1062 13.616,1063 20.519,1064 -2.264,1065 12.877,1066 15.59,1067 3.184,1068 26.198,1069 12.768,1070 2.598,1071 10.272,1072 22.463,1073 4.675,1074 14.094,1075 17.071,1077 28.774,1078 13.972,1079 2.058,1080 9.124,1081 24.416,1082 3.821,1083 15.349,1084 18.61,1085 3.658,1086 31.38,1087 15.214,1088 1.883,1089 6.632,1090 26.376,1091 3.156,1092 16.592,1093 20.122,1095 33.975,1096 16.443,1097 1.739,1098 6.091,1099 28.343,1100 2.757,1101 17.849,1102 21.657,1103 4.138,1104 36.581,1105 17.687,1106 1.442,1107 4.77,1108 30.314,1109 2.379,1110 19.103,1111 23.183,1113 39.185,1114 18.928,1115 3464,1116 5383,1117 15.838,1118 26.006,1119 38.459,1120 40.263,1121 40.241,1122 37.858,1123 37.882,1124 48.649,1125 2.555,1126 121.259,1127 37.787,1128 5.849,1129 5.85,1130 7.109,1131 5.581,1132 5.561,1133 7.675,1134 2.555,1135 21.616,1136 5.517,1137 10.489,1138 1.602,1139 1.678,1140 1.677,1141 1.577,1142 1.578,1143 2.027,1144 0.106,1145 5.052,1146 1.574,1147 4.175,1148 4.198,1149 4.151,1150 4.094,1151 7.432,1152 4.105,1153 3.82,1154 3.852,1155 3.751,1156 3.74,1157 7.422,1158 3.738,1159 3.603,1160 3.669,1161 3.461,1162 3.448,1163 4.806,1164 3.439,1165 3.392,1166 3.437,1167 3.281,1168 3.276,1169 4.521,1170 3.268,1171 3.115,1172 3.158,1173 2.996,1174 2.913,1175 4.087,1176 2.925,1177 3.02,1178 3.043,1179 2.919,1180 2.838,1181 3.879,1182 2.849,1183 2.874,1184 3.009,1185 2.678,1186 2.711,1187 3.627,1188 2.697,1189 2.814,1190 2.871,1191 2.499,1192 2.618,1193 3.467,1194 2.57,1195 0.204,1196 0.16,1197 0.31,1198 0.189,1199 0.148,1200 4.9,1201 0.195,1202 3.85,1203 0.053,1204 7.43,1205 0.567,1206 4.546,1207 0.147,1208 3.561,1209 4.675,1210 1.277,1211 13.616,1212 3.517,1213 1.913,1214 1.887,1215 2.034,1216 2.03,1217 1.335,1218 2.032,1219 1.83,1220 1.801,1221 1.971,1222 1.929,1223 1.162,1224 1.944,1225 1.678,1226 1.629,1227 1.899,1228 1.85,1229 1.062,1230 1.865,1231 1.401,1232 1.368,1233 1.505,1234 1.543,1235 0.719,1236 1.533,1237 1.1,1238 1.043,1239 1.417,1240 1.313,1241 0.606,1242 1.323,1243 0.957,1244 0.911,1245 1.348,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.887,1251 1.189,1252 1.195,1253 0.358,1254 1.192,1255 0.92,1256 0.804,1257 1.099,1258 1.071,1259 0.204,1260 1.077,1261 3.892,1263 5.283,1264 3.045,1265 6.887,1266 5.638,1267 8.594,1268 7.947,1269 10.361,1271 4.232,1277 2.337,1281 0.243,1289 24.665,1290 52.876,1291 121.316,1292 159.911,1293 169.911,1294 173.911,1295 175.911,1296 36.524,1297 7.514,1298 39.07,1299 39.07,1300 22,1301 12.984,1302 3.807,1303 3.087,1304 27.56,1305 52,1306 43,1307 0.289,1308 148.154,1309 258.82,1310 353.256,1311 15873,1313 14.723,1314 0.701,1315 0.584,1316 14.723,1317 12.272,1318 10.109,1319 0.421,1320 0.315,1321 7.501,1322 9.883,1323 7.262,1324 5.991,1325 10.109,1326 7.553,1327 9.597,1328 0.259,1329 0.166,1330 9.597,1331 6.16,1332 8.598,1333 0.151,1334 0.08,1335 8.598,1336 4.574,1337 8.21,1338 0.092,1339 0.043,1340 8.21,1341 3.803,1342 7.231,1343 0.058,1344 0.023,1345 7.231,1346 2.904,1347 0.413,1348 62.309,1349 0.251,1350 19.566,1351 0.946,1352 122,1353 311.116,1354 129.288,1355 303.128,1356 425.18,1357 284,1358 155,1359 323.146,1360 162.983,1361 327.588,1362 496.89,1363 312,1364 4.456}
{0 CHEMBL2012519,1 1.436,2 8.962,3 2.27,4 5.153,5 95.016,6 7.289,7 0.222,8 3.998,9 4.088,10 3.499,11 3.453,12 5.178,13 3.451,14 4.539,15 4.684,16 3.854,17 3.823,18 5.714,19 3.803,20 4.864,21 5.036,22 4.038,23 4.021,24 6.147,25 3.991,26 4.997,27 5.178,28 4.124,29 4.101,30 6.346,31 4.06,32 5.075,33 5.261,34 4.025,35 4.129,36 6.261,37 4.077,38 5.064,39 5.246,40 4.096,41 4.18,42 6.268,43 4.117,44 5.13,45 5.339,46 3.982,47 4.144,48 6.284,49 4.056,50 5.034,51 5.291,52 3.756,53 3.848,54 6.321,55 3.741,56 0.155,57 0.625,58 10.801,59 5.145,60 27.883,61 6.117,62 0.428,63 0.982,64 20.325,65 8.161,66 57.677,67 10.275,68 0.806,69 1.263,70 29.905,71 10.49,72 124.353,73 13.532,74 1.007,75 1.414,76 34.498,77 11.809,78 154.349,79 15.6,80 1.09,81 1.47,82 38.521,83 12.149,84 168.768,85 15.648,86 1.092,87 1.521,88 37.07,89 12.739,90 147.127,91 16.694,92 1.042,93 1.556,94 40.605,95 13.1,96 154.951,97 17.693,98 1.358,99 1.272,100 39.587,101 10.847,102 200.842,103 15.782,104 51,105 37,106 0.246,107 0.631,108 0.86,109 0.908,110 0.908,111 0.908,112 3.305,113 0.945,114 -2.73,115 -2.75,116 -2.67,118 38,119 1,120 4,123 1,126 3,132 2,138 2,139 2,140 2,151 1,153 1,167 7,170 1,171 7,175 3,178 9,182 5,184 1,185 1,186 4,188 5,192 13,195 4,197 6,199 7,204 5,208 5,211 6,214 3,215 6,220 7,223 12,228 1,231 1,233 4,235 6,239 1,240 4,243 3,244 1,245 3,247 3,252 1,255 2,256 1,257 1,264 744,265 16.922,266 16.922,267 16.922,268 16.922,269 16.922,270 15.741,271 21.742,272 9.864,273 17.28,274 13.18,275 13.18,276 13.18,277 13.18,278 13.18,279 11.164,280 22.208,281 4.545,282 13.669,283 4.208,284 1.965,285 0.63,286 0.35,287 0.35,288 0.35,289 3.963,292 1,293 1,294 1,295 473,296 2.345,300 52.628,307 0.97,308 51.809,310 1,311 1,312 1,313 1,314 1,315 1,316 1,317 1,318 1,319 59,320 233,321 4.499,322 3.739,323 6.734,324 4.13,325 3.146,326 4.179,327 1.674,328 10.897,329 3.091,330 4.042,331 3.713,332 6.255,333 3.868,334 2.887,335 3.237,336 1.489,337 9.009,338 2.829,339 3.747,340 3.053,341 5.433,342 3.425,343 2.486,344 3.073,345 0.86,346 7.109,347 2.323,348 3.435,349 2.695,350 5.144,351 3.2,352 2.248,353 2.58,355 6.275,356 2.137,357 3.31,358 2.621,359 5.056,360 3.046,361 2.062,362 2.493,364 5.814,365 2.016,366 3.228,367 2.497,368 4.895,369 2.943,370 1.957,371 2.291,373 5.313,374 1.913,375 2.998,376 2.311,377 4.549,378 2.647,379 1.68,380 2.022,382 4.398,383 1.597,384 2.569,385 1.619,386 3.7,387 2.189,388 1.207,389 1.441,391 2.771,392 1.178,393 2.232,394 1.594,395 3.485,396 1.983,397 0.995,398 1.148,400 2.225,401 0.975,402 1.685,403 1.13,404 3.042,405 1.428,406 0.498,407 0.543,409 1.061,410 0.448,411 1.634,412 1.067,413 2.938,414 1.352,415 0.454,416 0.516,417 0.792,418 0.406,419 1.141,420 0.682,421 2.659,422 0.935,427 1.106,428 0.441,429 2.569,430 0.729,431 -0.245,432 -0.29,433 -0.588,434 -0.228,435 1.02,436 0.194,437 2.154,438 0.674,439 -0.315,440 -0.418,441 -0.711,442 -0.314,443 0.672,444 0.033,445 2.107,446 0.399,447 -0.593,448 -0.694,449 -1.346,450 -0.572,451 11.833,452 0.455,453 0.757,454 0.029,455 27.25,456 1.048,457 11.5,458 0.442,459 15.75,460 0.606,461 26.127,462 1.005,463 30.767,464 0.615,465 24.238,466 0.932,467 5.448,468 0.21,469 6.88,470 0.265,471 0.225,473 0.38,478 0.873,479 1.225,480 0.849,481 1.199,482 0.825,483 1.046,484 0.849,485 1.17,486 0.858,487 1.151,488 0.682,489 1.03,490 0.991,491 1.049,492 0.929,493 1.035,494 0.863,495 0.976,496 0.856,497 1.136,498 0.916,499 1.128,500 0.939,501 1.053,502 1.374,503 0.964,504 1.203,505 0.963,506 1.447,507 1.023,508 0.983,509 1.074,510 1.074,511 1.083,512 1.068,513 1.101,514 1.058,515 1.135,516 1.128,517 1.142,518 1.127,519 1.153,520 0.855,521 0.879,522 0.891,523 0.883,524 0.798,525 0.895,526 6,527 0.049,528 3.333,529 2.875,530 1.564,531 1.25,532 0.631,533 0.622,534 0.385,535 0.151,536 6297,537 20913,538 1.91,539 48,540 4,541 10,544 3,546 7,549 1.699,550 1.733,551 3.143,552 0.974,553 1,554 1,558 71.792,559 1.436,560 3.679,561 5.014,562 5.294,563 5.294,564 5.294,565 2.226,566 4.316,567 4.685,568 3.228,569 1049.04,570 8.154,571 12892.1,573 1,575 1,576 282.193,577 1.57,578 4.592,579 0.222,580 0.007,581 0.09,582 0.067,583 0.035,584 0.03,585 0.014,586 0.017,587 0.014,588 0.01,589 0.507,590 0.5,591 1,592 0.871,593 124.544,594 -0.104,595 0.023,596 -0.008,597 0.03,598 -0.12,599 0.038,600 -0.006,601 -0.042,602 0.042,603 -0.032,604 0.014,605 0.01,606 -0.021,607 -0.002,608 0.024,609 0.004,610 0.04,611 0.024,612 0.101,613 -0.109,614 0.042,615 -0.105,616 0.082,617 -0.058,618 -0.265,619 0.028,620 -0.208,621 0.018,622 -0.262,623 -0.063,624 -0.026,625 -0.044,626 -0.119,627 -0.058,628 -0.089,629 -0.106,630 -0.108,631 -0.155,632 -0.158,633 -0.16,634 -0.13,635 -0.171,636 0.151,637 -0.008,638 0.137,640 0.176,641 0.054,642 2.828,643 5.483,644 0.692,645 14.462,646 1.018,647 1.129,648 1.505,649 2.265,650 0.626,651 3.332,652 3.638,653 3.85,654 4.025,655 4.111,656 4.234,657 4.234,658 4.29,659 4.317,660 4.382,661 5.432,662 0.607,663 364.43,664 3.332,665 4.86,666 5.687,667 6.55,668 7.392,669 8.261,670 9.109,671 9.982,672 10.834,673 11.71,690 2,695 4,697 6,707 1,713 1,714 1,716 50,718 9,719 1,720 27,722 51,723 19,724 6,725 4,726 2,727 4,728 2,729 3,732 1,735 7,738 7,740 10,741 9,744 3,749 2,751 2,753 2,756 1,757 1,760 24,761 7,762 3,763 7,775 0.5,776 7,778 2,794 1,805 1,811 2,817 2,819 1,823 2,827 26,832 3,833 4,835 2,837 3,850 14,851 2,852 1,853 2,855 2,858 15,859 9.1,860 5.889,861 2.94,863 1.773,864 1.253,865 0.838,866 7.205,867 8.778,868 3.526,869 4.016,870 4.48,871 4.928,872 5.266,873 5.505,874 5.553,875 5.616,876 5.7,877 5.934,878 0.571,879 43,880 9.804,881 4.291,882 8.231,883 17.804,884 14.307,885 2.731,886 71,890 247.193,891 91.691,894 200.34,897 91.691,898 447.533,900 19.708,901 10.138,902 123.272,903 105.298,904 33.614,906 247.193,908 247.193,909 91.691,910 200.34,913 164.795,914 197.371,915 85.367,917 18.963,918 53.775,919 18.952,921 247.193,922 200.34,923 91.691,926 247.193,927 34.078,928 57.613,930 200.34,931 247.193,932 200.34,933 91.691,935 0.581,936 0.343,937 0.172,938 0.083,939 15,940 9,941 0.02,942 1,943 1,944 1.111,945 3.465,946 212.471,947 0.111,948 18,949 122.211,954 20.429,955 9.169,956 5.307,958 200.34,959 2.964,964 0.723,966 128.05,967 539.224,968 33,973 24.321,975 2.664,977 -1.252,980 50.894,981 56.448,983 0.254,984 0.652,985 0.888,986 0.938,987 0.938,988 0.938,989 4.775,990 1.207,991 5.687,992 4.398,993 4.317,994 4.7,995 2.527,996 6.485,997 4.252,998 5.959,999 0.995,1000 7.253,1001 2.771,1002 4.007,1003 4.575,1005 7.402,1006 3.911,1007 7.254,1008 0.498,1009 8.92,1010 2.225,1011 5.905,1012 6.761,1013 3.319,1014 10.483,1015 5.792,1016 8.58,1017 0.454,1018 10.643,1019 1.061,1020 6.365,1021 7.424,1023 12.216,1024 6.222,1025 9.938,1027 12.403,1028 0.792,1029 7.772,1030 9.154,1031 4.215,1032 14.842,1033 7.62,1034 11.317,1035 -0.245,1036 14.189,1038 8.585,1039 10.197,1041 16.937,1042 8.41,1043 12.715,1044 -0.315,1045 15.995,1046 -0.588,1047 9.808,1048 11.754,1049 5.156,1050 19.402,1051 9.624,1052 3.146,1053 -0.593,1054 17.817,1055 -0.711,1056 10.787,1057 12.987,1059 21.657,1060 10.585,1061 2.887,1062 10.897,1063 19.652,1064 -1.346,1065 11.941,1066 14.472,1067 6.12,1068 24.063,1069 11.73,1070 2.486,1071 9.009,1072 21.497,1073 4.179,1074 12.998,1075 15.801,1077 26.388,1078 12.771,1079 2.248,1080 7.109,1081 23.352,1082 3.237,1083 14.13,1084 17.256,1085 7.098,1086 28.775,1087 13.89,1088 2.062,1089 6.275,1090 25.213,1091 3.073,1092 15.223,1093 18.633,1095 31.131,1096 14.968,1097 1.957,1098 5.814,1099 27.081,1100 2.58,1101 16.349,1102 20.074,1103 8.087,1104 33.513,1105 16.08,1106 1.68,1107 5.313,1108 28.954,1109 2.493,1110 17.46,1111 21.476,1113 35.884,1114 17.177,1115 6469,1116 11857,1117 16.819,1118 31.318,1119 39.869,1120 42.011,1121 42.167,1122 39.237,1123 39.238,1124 47.047,1125 8.047,1126 111.328,1127 37.825,1128 5.442,1129 5.739,1130 6.282,1131 5.188,1132 5.146,1133 7.179,1134 3.349,1135 17.795,1136 5.091,1137 16.788,1138 1.477,1139 1.556,1140 1.562,1141 1.453,1142 1.453,1143 1.742,1144 0.298,1145 4.123,1146 1.401,1147 3.99,1148 4.003,1149 3.945,1150 3.903,1151 7.434,1152 3.91,1153 3.807,1154 3.828,1155 3.73,1156 3.679,1157 7.428,1158 3.684,1159 3.683,1160 3.727,1161 3.558,1162 3.529,1163 6.49,1164 3.525,1165 3.48,1166 3.516,1167 3.37,1168 3.3,1169 6.468,1170 3.307,1171 3.297,1172 3.334,1173 3.189,1174 3.064,1175 6.399,1176 3.084,1177 3.254,1178 3.302,1179 3.098,1180 3.044,1181 4.79,1182 3.054,1183 3.056,1184 3.092,1185 2.908,1186 2.797,1187 4.514,1188 2.805,1189 2.977,1190 3.035,1191 2.795,1192 2.765,1193 4.261,1194 2.762,1195 0.167,1196 0.138,1197 0.249,1198 0.153,1199 0.117,1200 4.499,1201 0.155,1202 3.739,1203 0.062,1204 6.734,1205 0.404,1206 4.13,1207 0.114,1208 3.146,1209 4.179,1210 1.674,1211 10.897,1212 3.091,1213 1.934,1214 1.921,1215 2.045,1216 2.043,1217 1.347,1218 2.04,1219 1.763,1220 1.735,1221 1.935,1222 1.919,1223 1.17,1224 1.917,1225 1.663,1226 1.618,1227 1.871,1228 1.855,1229 1.101,1230 1.865,1231 1.438,1232 1.396,1233 1.67,1234 1.654,1235 0.827,1236 1.657,1237 1.23,1238 1.169,1239 1.568,1240 1.515,1241 0.659,1242 1.528,1243 1.204,1244 1.165,1245 1.495,1246 1.456,1247 0.572,1248 1.466,1249 0.975,1250 0.933,1251 1.262,1252 1.258,1253 0.43,1254 1.235,1255 0.943,1256 0.882,1257 1.136,1258 1.218,1259 0.225,1260 1.212,1261 4.007,1263 5.313,1265 6.797,1267 8.368,1269 9.99,1271 3.104,1276 30.115,1277 1.13,1279 10.469,1281 -3.238,1289 30.325,1290 71.792,1291 183.951,1292 250.683,1293 264.683,1294 264.683,1295 264.683,1296 99.117,1297 7.006,1298 113.29,1299 113.29,1300 20,1301 12.254,1302 3.322,1303 2.807,1304 54.48,1305 93,1306 76,1307 0.31,1308 188.647,1309 347.33,1310 452.06,1311 10475,1313 19.267,1314 0.741,1315 0.571,1316 19.267,1317 14.845,1318 12.329,1319 0.457,1320 0.315,1321 8.355,1322 11.71,1323 8.148,1324 6.74,1325 12.329,1326 8.505,1327 11.054,1328 0.299,1329 0.171,1330 11.054,1331 6.341,1332 8.937,1333 0.194,1334 0.093,1335 8.937,1336 4.273,1337 6.985,1338 0.127,1339 0.051,1340 6.985,1341 2.821,1342 4.632,1343 0.077,1344 0.03,1345 4.632,1346 1.772,1347 0.473,1348 78.79,1349 0.244,1350 24.38,1351 0.893,1352 128,1353 467.391,1354 145.825,1355 428.466,1356 551.38,1357 396,1358 147,1359 370.758,1360 163.832,1361 369.011,1362 538.17,1363 345,1364 5}
{0 CHEMBL201511,1 1.591,2 9.25,3 2.807,4 7.881,5 102.732,6 8.226,7 0.516,8 3.961,9 4.048,10 3.607,11 3.487,12 5.18,13 3.507,14 4.464,15 4.591,16 3.974,17 3.869,18 5.661,19 3.883,20 4.575,21 4.68,22 4.105,23 4.002,24 5.829,25 4.008,26 4.703,27 4.821,28 4.172,29 4.073,30 6.033,31 4.072,32 4.88,33 5.037,34 4.14,35 4.09,36 6.107,37 4.081,38 4.845,39 5.004,40 4.095,41 4.024,42 6.152,43 4.005,44 4.803,45 5.011,46 3.957,47 3.907,48 6.066,49 3.868,50 4.657,51 4.852,52 3.706,53 3.718,54 5.9,55 3.675,56 0.114,57 0.628,58 7.731,59 4.139,60 7.697,61 4.517,62 0.468,63 0.975,64 16.248,65 6.809,66 34.389,67 7.501,68 0.468,69 1.092,70 16.467,71 7.917,72 35.065,73 8.759,74 0.473,75 1.251,76 18.867,77 8.897,78 51.618,79 10.144,80 0.764,81 1.428,82 26.784,83 10.096,84 63.966,85 11.139,86 0.863,87 1.356,88 25.93,89 9.893,90 79.531,91 11.476,92 0.84,93 1.288,94 27.732,95 9.803,96 83.318,97 12.541,98 0.763,99 1.098,100 23.697,101 8.008,102 80.351,103 9.517,104 35,105 45,106 0.269,107 0.611,108 0.694,109 0.761,110 0.786,111 0.824,112 3.376,113 0.828,114 -2.64,115 -2.66,116 -2.58,118 45.7,123 3,133 2,138 6,139 3,140 3,147 1,148 1,153 2,167 10,171 4,173 2,175 5,178 11,181 2,182 8,186 5,188 9,191 2,192 10,197 5,199 7,204 7,206 1,207 1,208 2,211 6,214 2,215 6,218 3,220 4,223 5,227 3,228 6,231 1,233 1,235 5,239 1,240 4,243 2,247 2,252 5,255 1,264 1184,265 19.248,266 19.248,267 19.248,268 19.248,269 19.248,270 17,271 15.704,272 10.991,273 19.818,274 15.091,275 15.091,276 15.091,277 15.091,278 15.091,279 11.33,280 16.18,281 4.881,282 15.686,283 3.933,284 1.912,285 1.425,286 1.028,287 0.881,288 0.658,289 4.068,292 1,293 1,294 1,295 557,296 2.915,299 126.182,300 153.176,303 102.633,307 1.339,308 35.152,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 62,320 259,321 4.75,322 3.833,323 7.109,324 4.366,325 3.368,326 4.573,327 1.2,328 12.347,329 3.36,330 4.462,331 3.371,332 6.564,333 4.026,334 3.064,335 4.205,336 0.86,337 10.397,338 2.963,339 4.295,340 3.276,341 6.433,342 3.864,343 2.891,344 3.873,345 0.86,346 9.88,347 2.786,348 3.6,349 3.046,350 5.761,351 3.271,352 2.272,353 2.901,354 0.86,355 7.539,356 2.262,357 3.391,358 2.555,359 5.19,360 2.988,361 2.061,362 2.655,363 0.8,364 6.118,365 1.972,366 3.355,367 2.523,368 5.161,369 2.972,370 1.993,371 2.604,373 5.999,374 1.867,375 3.148,376 2.103,377 4.835,378 2.688,379 1.657,380 2.32,382 4.808,383 1.695,384 3.045,385 1.927,386 4.431,387 2.518,388 1.546,389 2.285,391 3.906,392 1.501,393 2.78,394 1.546,395 4.094,396 2.265,397 1.291,398 1.817,400 3.366,401 1.255,402 2.527,403 1.401,404 3.745,405 2.029,406 1.129,407 1.479,409 2.623,410 1.01,411 2.171,412 1.096,413 3.572,414 1.866,415 0.944,416 1.134,417 2.168,418 0.859,419 1.991,420 0.965,421 3.145,422 1.48,423 0.515,424 0.739,425 1.229,426 0.495,427 1.576,428 0.916,429 2.859,430 1.27,431 0.396,432 0.452,433 0.603,434 0.342,435 1.411,436 0.783,437 2.824,438 1.155,439 0.309,440 0.334,441 0.399,442 0.259,443 1.105,444 0.587,445 2.49,446 0.757,447 -0.24,448 -0.299,449 -0.532,450 -0.233,451 12.967,452 0.463,453 0.675,454 0.024,455 38.5,456 1.375,457 20,458 0.714,459 18.5,460 0.661,461 21.119,462 0.754,463 29.633,464 0.644,465 32.44,466 1.159,467 8.174,468 0.292,469 5.409,470 0.193,471 0.167,473 0.424,478 0.808,479 1.188,480 0.691,481 1.05,482 0.591,483 0.873,484 1.095,485 0.788,486 0.761,487 0.675,488 0.698,489 0.643,490 0.849,491 1.073,492 0.792,493 1.022,494 0.974,495 0.921,496 0.8,497 1.27,498 0.859,499 1.208,500 0.67,501 1.08,502 1.35,503 1.023,504 1.121,505 0.99,506 1.191,507 0.996,508 1.064,509 1.09,510 1.062,511 1.095,512 1.296,513 1.086,514 0.812,515 0.967,516 0.847,517 0.952,518 1.026,519 0.915,520 1.233,521 0.938,522 1.189,523 0.995,524 1.543,525 1.058,526 5,527 0.086,528 3.556,529 3.014,530 2.037,531 1.368,532 0.964,533 0.581,534 0.333,535 0.174,536 8321,537 25465,538 2.072,539 39.1,541 15,542 1,544 2,549 1.719,550 1.909,551 3.18,552 0.247,553 1,554 1,558 73.177,559 1.591,560 3.611,561 4.099,562 4.496,563 4.642,564 4.866,565 2.629,566 4.423,567 4.781,568 3.299,569 1246.86,570 8.36,571 15600,573 1,575 1,576 254.084,577 1.497,578 4.723,579 0.161,580 0.007,581 0.079,582 0.06,583 0.039,584 0.028,585 0.021,586 0.015,587 0.011,588 0.009,589 0.431,590 0.33,591 1,592 0.961,593 136.467,594 -0.074,595 -0.083,596 0.044,597 -0.054,598 -0.067,599 0.014,600 -0.099,601 0.251,602 0.114,603 0.312,604 -0.017,605 0.273,606 0.065,607 -0.046,608 0.03,609 -0.017,610 -0.051,611 -0.004,612 0.079,613 -0.24,614 -0.02,615 -0.215,616 0.178,617 -0.157,618 -0.211,619 -0.022,620 -0.156,621 -0.032,622 -0.118,623 -0.073,624 0.052,625 -0.105,626 -0.088,627 -0.131,628 -0.021,629 -0.147,630 0.182,631 -0.017,632 0.198,633 0.021,634 0.149,635 0.097,636 -0.072,637 0.032,638 -0.138,639 -0.047,640 -0.13,641 -0.095,642 2.139,643 5.668,644 0.714,645 21.5,646 1.02,647 1.117,648 1.405,649 1.975,650 0.682,651 3.466,652 3.829,653 4.205,654 4.554,655 4.762,656 4.898,657 5.094,658 5.22,659 5.242,660 5.263,661 5.557,662 0.67,663 378.41,664 3.466,665 5.03,666 5.927,667 6.847,668 7.763,669 8.69,670 9.612,671 10.542,672 11.468,673 12.399,674 4.3,681 1,682 1,689 2,690 7,692 1,695 5,697 16,714 3,716 46,718 19,719 2,720 31,722 49,723 21,724 14,725 6,726 6,727 4,728 4,729 5,740 18,741 3,744 3,749 2,753 4,756 1,757 1,760 18,761 6,762 2,763 7,769 2,772 1,775 0.75,776 5,789 1,793 2,794 2,797 1,812 2,819 3,823 3,827 28,834 1,835 3,850 10.9,853 2,855 3,858 14.667,859 9.417,860 6.333,861 2.458,863 3.454,864 1.446,865 1.001,866 4.77,867 11.204,868 3.761,869 4.416,870 5.108,871 5.766,872 6.31,873 6.705,874 7.195,875 7.622,876 7.886,877 8.247,878 1,879 50,880 10.361,881 4.502,882 7.923,883 19.216,884 15.613,885 2.423,886 67.833,889 1,890 188.338,891 141.153,892 34.796,894 83.29,897 141.153,898 271.627,899 34.796,900 32.649,901 18.011,902 65.905,903 59.699,904 80.831,905 13.915,906 176.567,908 188.338,909 175.949,910 83.29,913 188.338,914 83.29,917 34.796,918 141.153,921 188.338,922 118.086,923 141.153,926 188.338,927 42.599,928 98.554,929 34.796,930 83.29,931 188.338,932 118.086,933 141.153,935 0.58,936 0.376,937 0.225,938 0.119,939 23,940 11,941 0.102,942 5,943 1,944 1.1,945 3.719,946 263.381,947 0.1,948 20,949 124.606,954 18.442,955 7.243,956 2.955,957 1.73,958 101.3,959 12.638,961 3.141,964 2.359,966 34.796,967 447.576,968 42,973 25.319,977 -0.358,980 46.909,981 51.365,983 0.288,984 0.654,985 0.742,986 0.814,987 0.84,988 0.881,989 5.017,990 1.546,991 5.938,992 4.808,993 4.511,994 5.103,995 2.262,996 6.843,997 4.452,998 6.26,999 1.291,1000 7.554,1001 3.906,1002 4.205,1003 5.056,1005 7.932,1006 4.155,1007 7.606,1008 1.129,1009 9.273,1010 3.366,1011 6.188,1012 7.407,1013 2.224,1014 11.095,1015 6.096,1016 8.995,1017 0.944,1018 11.052,1019 2.623,1020 6.735,1021 8.204,1023 13.022,1024 6.643,1025 10.418,1026 0.515,1027 12.868,1028 2.168,1029 8.191,1030 10.033,1031 2.295,1032 15.713,1033 8.077,1034 11.866,1035 0.396,1036 14.711,1037 1.229,1038 9.107,1039 11.208,1041 17.971,1042 8.99,1043 13.332,1044 0.309,1045 16.573,1046 0.603,1047 10.376,1048 12.835,1049 2.462,1050 20.515,1051 10.249,1052 3.368,1053 -0.24,1054 18.45,1055 0.399,1056 11.449,1057 14.182,1059 22.907,1060 11.317,1061 3.064,1062 12.347,1063 20.337,1064 -0.532,1065 12.655,1066 15.727,1067 2.703,1068 25.407,1069 12.518,1070 2.891,1071 10.397,1072 22.234,1073 4.573,1074 13.793,1075 17.153,1077 27.856,1078 13.654,1079 2.272,1080 9.88,1081 24.139,1082 4.205,1083 14.981,1084 18.666,1085 2.993,1086 30.347,1087 14.84,1088 2.061,1089 7.539,1090 26.049,1091 3.873,1092 16.147,1093 20.128,1095 32.823,1096 16.005,1097 1.993,1098 6.118,1099 27.965,1100 2.901,1101 17.333,1102 21.63,1103 3.314,1104 35.316,1105 17.191,1106 1.657,1107 5.999,1108 29.885,1109 2.655,1110 18.512,1111 23.112,1113 37.806,1114 18.371,1115 8090,1116 14269,1117 20.403,1118 31.375,1119 47.07,1120 49.441,1121 50.403,1122 46.599,1123 46.873,1124 62.742,1125 9.16,1126 142.764,1127 45.25,1128 5.672,1129 5.833,1130 6.791,1131 5.401,1132 5.368,1133 7.573,1134 2.4,1135 19.97,1136 5.36,1137 14.966,1138 1.518,1139 1.595,1140 1.626,1141 1.503,1142 1.512,1143 2.024,1144 0.295,1145 4.605,1146 1.46,1147 4.154,1148 4.18,1149 4.122,1150 4.076,1151 7.45,1152 4.084,1153 3.957,1154 3.968,1155 3.925,1156 3.869,1157 7.408,1158 3.879,1159 3.723,1160 3.735,1161 3.696,1162 3.563,1163 4.999,1164 3.591,1165 3.371,1166 3.431,1167 3.271,1168 3.215,1169 4.945,1170 3.225,1171 3.303,1172 3.355,1173 3.144,1174 3.006,1175 4.58,1176 3.026,1177 3.237,1178 3.304,1179 3.072,1180 2.959,1181 4.467,1182 2.974,1183 3.175,1184 3.252,1185 2.959,1186 2.889,1187 4.347,1188 2.887,1189 2.949,1190 3.002,1191 2.872,1192 2.809,1193 4.237,1194 2.808,1195 0.153,1196 0.124,1197 0.229,1198 0.141,1199 0.109,1200 4.75,1201 0.148,1202 3.833,1203 0.039,1204 7.109,1205 0.398,1206 4.366,1207 0.108,1208 3.368,1209 4.573,1210 1.2,1211 12.347,1212 3.36,1213 1.956,1214 1.943,1215 2.034,1216 2.028,1217 1.19,1218 2.028,1219 1.887,1220 1.873,1221 1.961,1222 1.993,1223 1.097,1224 1.983,1225 1.599,1226 1.576,1227 1.694,1228 1.759,1229 0.801,1230 1.74,1231 1.31,1232 1.282,1233 1.59,1234 1.615,1235 0.584,1236 1.565,1237 1.227,1238 1.175,1239 1.572,1240 1.558,1241 0.577,1242 1.562,1243 1.221,1244 1.163,1245 1.546,1246 1.519,1247 0.565,1248 1.525,1249 1.169,1250 1.086,1251 1.343,1252 1.489,1253 0.404,1254 1.486,1255 1.097,1256 1.019,1257 1.32,1258 1.337,1259 0.255,1260 1.344,1261 4.143,1263 5.493,1264 3.045,1265 7.052,1266 5.476,1267 8.708,1268 7.627,1269 10.416,1271 4.494,1278 2.393,1279 16.116,1289 30.831,1290 73.177,1291 166.129,1292 188.535,1293 206.8,1294 213.555,1295 223.819,1296 54.772,1297 7.75,1298 93.41,1299 93.41,1300 22,1301 12.901,1302 4.322,1303 3.585,1304 42.032,1305 91,1306 92,1307 0.227,1308 186.932,1309 329.27,1310 447.874,1311 23195,1313 19.836,1314 0.708,1315 0.557,1316 19.836,1317 15.583,1318 13.583,1319 0.438,1320 0.276,1321 8.367,1322 12.867,1323 8.108,1324 6.758,1325 13.583,1326 8.555,1327 11.935,1328 0.265,1329 0.138,1330 11.935,1331 6.195,1332 10.872,1333 0.165,1334 0.072,1335 10.872,1336 4.743,1337 9.931,1338 0.106,1339 0.037,1340 9.931,1341 3.491,1342 7.803,1343 0.067,1344 0.02,1345 7.803,1346 2.3,1347 0.341,1348 86.863,1349 0.221,1350 25.843,1351 0.672,1352 152,1353 517.343,1354 168.839,1355 483.821,1356 658.87,1357 454,1358 187,1359 478.134,1360 204.506,1361 486.042,1362 717.97,1363 453,1364 4.796}
{0 CHEMBL2086751,1 1.464,2 13.405,3 4.384,4 19.218,5 147.571,6 7.26,7 0.524,8 4.323,9 4.446,10 3.881,11 3.884,12 5.37,13 3.86,14 4.874,15 5.047,16 4.257,17 4.3,18 5.876,19 4.256,20 5.131,21 5.346,22 4.313,23 4.451,24 6.064,25 4.375,26 5.204,27 5.432,28 4.316,29 4.488,30 6.131,31 4.392,32 5.244,33 5.483,34 4.402,35 4.496,36 6.257,37 4.415,38 5.215,39 5.429,40 4.394,41 4.519,42 6.246,43 4.447,44 5.195,45 5.41,46 4.34,47 4.511,48 6.187,49 4.423,50 5.17,51 5.384,52 4.252,53 4.443,54 6.151,55 4.35,56 0.049,57 1.012,58 14.33,59 6.086,60 10.408,61 8.162,62 0.26,63 1.681,64 27.082,65 10.362,66 27.841,67 14.23,68 0.312,69 2.081,70 36.843,71 13.391,72 35.722,73 18.837,74 0.335,75 2.194,76 40.045,77 15.17,78 41.079,79 21.525,80 0.513,81 2.251,82 42.727,83 15.736,84 65.085,85 22.387,86 0.421,87 2.243,88 40.423,89 14.425,90 60.157,91 20.213,92 0.353,93 2.194,94 39.276,95 14.911,96 52.016,97 20.747,98 0.313,99 2.087,100 38.58,101 14.404,102 49.999,103 19.919,104 14,105 60,106 0.228,107 0.574,108 0.755,109 0.846,110 0.857,111 0.857,112 3.643,113 0.922,114 -4.47,115 -4.4,116 -4.15,118 44.1,119 1,120 2,123 1,124 3,126 1,133 2,138 11,139 2,140 3,142 1,148 1,153 1,156 1,167 12,171 8,173 2,175 9,178 15,182 6,186 9,188 13,191 1,192 7,195 1,197 5,199 16,203 1,204 6,206 3,207 2,208 6,211 16,215 7,218 1,220 6,223 16,228 8,231 1,232 1,233 8,235 16,240 7,245 3,247 14,251 1,252 6,255 2,257 5,260 11,264 2835,265 25.72,266 25.72,267 25.72,268 25.72,269 25.72,270 22.924,271 29.417,272 15.022,273 26.245,274 20.668,275 20.668,276 20.668,277 20.668,278 20.668,279 16.256,280 46.896,281 7.056,282 21.391,283 4.623,284 2.399,285 1.233,286 0.651,287 0.581,288 0.581,289 4.361,294 1,295 1103,296 3.464,299 160.594,300 441.929,303 304.118,307 1.93,308 27.704,311 1,312 0.67,313 1,314 0.8,315 0.5,316 1,317 1,318 0.85,319 78.5,320 496,321 4.726,322 3.697,323 7.096,324 4.346,325 3.356,326 4.51,327 1.058,328 12.326,329 3.322,330 4.46,331 3.127,332 6.406,333 3.986,334 3.022,335 4.245,336 0.86,337 9.932,338 2.911,339 4.144,340 2.957,341 6.155,342 3.753,343 2.774,344 3.73,345 0.8,346 9.082,347 2.718,348 3.81,349 2.892,350 5.621,351 3.628,352 2.669,353 3.207,354 0.4,355 7.752,356 2.558,357 3.695,358 2.804,359 5.429,360 3.355,361 2.399,362 3.12,364 6.908,365 2.304,366 3.602,367 2.582,368 5.281,369 3.252,370 2.312,371 2.803,373 6.695,374 2.168,375 3.435,376 2.534,377 5.257,378 3.088,379 2.114,380 2.602,382 6.371,383 2.039,384 3.285,385 2.079,386 5.076,387 2.94,388 1.969,389 2.47,391 5.798,392 1.902,393 3.055,394 2.041,395 4.92,396 2.794,397 1.807,398 2.289,400 5.593,401 1.775,402 3.031,403 1.759,404 4.728,405 2.594,406 1.61,407 2.123,409 4.787,410 1.576,411 2.97,412 1.525,413 4.412,414 2.489,415 1.522,416 2.067,417 4.297,418 1.471,419 2.844,420 1.411,421 4.031,422 2.381,423 1.396,424 1.991,425 3.225,426 1.372,427 2.5,428 1.098,429 3.56,430 2,431 1,432 1.5,433 2.317,434 1,435 2.43,436 1.077,437 3.414,438 1.984,439 1,440 1.291,441 2.275,442 0.983,443 2.005,444 1,445 3.262,446 1.851,447 0.865,448 1,449 2.136,450 0.85,451 17.667,452 0.477,453 0.807,454 0.022,455 49,456 1.324,457 24.5,458 0.662,459 24.5,460 0.662,461 34.112,462 0.922,463 38.733,464 0.57,465 40.596,466 1.097,467 9.512,468 0.257,469 8.611,470 0.233,471 0.075,473 0.362,478 0.866,479 1.263,480 0.807,481 1.028,482 0.643,483 0.922,484 0.997,485 1.122,486 0.884,487 0.949,488 0.607,489 0.908,490 1.078,491 1.036,492 0.973,493 0.942,494 0.862,495 0.935,496 0.772,497 1.067,498 0.922,499 1.026,500 0.731,501 0.994,502 0.716,503 0.932,504 0.746,505 0.868,506 0.992,507 0.822,508 1.163,509 1.006,510 0.979,511 0.912,512 1.399,513 0.914,514 0.974,515 0.995,516 0.999,517 1.006,518 1.139,519 1.002,520 1.175,521 1.102,522 1.091,523 1.108,524 1.399,525 1.09,526 7,527 0.232,528 3.333,529 2.896,530 2.24,531 1.429,532 1.122,533 0.699,534 0.546,535 0.299,536 20810,537 46014,538 2.18,539 45.6,541 21,544 3,546 3,547 4,549 1.787,550 2.075,551 3.621,552 0.728,558 99.551,559 1.464,560 3.689,561 4.855,562 5.437,563 5.506,564 5.506,565 3.17,566 4.993,567 5.174,568 3.792,569 2525.48,570 9.143,571 39517.6,576 413.947,577 1.288,578 5.156,579 0.167,580 0.006,581 0.056,582 0.047,583 0.037,584 0.021,585 0.017,586 0.011,587 0.01,588 0.006,589 0.377,590 0.17,591 0.75,592 0.662,593 200.882,594 -0.039,595 -0.1,596 0.062,597 -0.008,598 -0.033,599 0.033,600 0.007,601 -0.015,602 0.046,603 0.039,604 0.087,605 0.043,606 -0.114,607 0.021,608 -0.012,609 0.034,610 -0.01,611 0.029,612 0.055,613 -0.052,614 0.037,615 -0.035,616 0.08,617 -0.006,618 0.242,619 0.064,620 0.24,621 0.115,622 0.222,623 0.164,624 -0.088,625 0.045,626 -0.006,627 0.058,628 -0.038,629 0.042,630 -0.047,631 0.041,632 -0.044,633 -0.016,634 -0.024,635 -0.026,636 -0.116,637 -0.086,638 -0.122,639 -0.121,640 -0.128,641 -0.118,642 1.791,643 6.449,644 0.811,645 43.354,646 0.995,647 1.122,648 3.244,649 10.525,650 0.674,651 3.761,652 4.111,653 4.443,654 4.779,655 5.069,656 5.22,657 5.464,658 5.666,659 5.775,660 5.935,661 7.444,662 0.638,663 493.66,664 3.761,665 5.323,666 6.201,667 7.102,668 8.001,669 8.913,670 9.823,671 10.741,672 11.657,673 12.579,674 7.4,677 1,679 1,681 1,682 1,684 1,689 2,690 11,691 1,692 1,695 6,697 22,709 1,714 1,716 68,718 24,719 3,720 42,722 73,723 30,724 19,725 7,726 11,727 3,728 6,729 8,732 1,735 3,738 3,740 22,741 8,744 2,749 1,753 3,760 31,761 6,762 3,763 7,766 1,769 5,775 0.667,776 2,793 2,794 4,797 2,807 1,812 2,816 1,819 4,823 2,827 37,833 5,834 2,835 1,837 1,838 1,850 2.9,853 1,855 1,858 17.833,859 12.733,860 8.111,861 4.317,863 3.757,864 1.431,865 1.033,866 6.555,867 12.478,868 4.025,869 4.647,870 5.285,871 5.937,872 6.55,873 6.964,874 7.516,875 8.033,876 8.398,877 8.837,878 1,879 62,880 13.723,881 5.95,882 7.559,883 26.756,884 22.711,885 2.059,886 76.167,890 329.591,891 170.153,892 72.717,894 36.145,897 170.153,898 365.736,899 72.717,900 19.708,901 29.397,902 104.239,903 66.974,904 56.553,905 2.144,906 329.591,908 329.591,909 242.87,910 36.145,913 247.193,914 118.543,917 62.604,918 145.47,919 34.796,921 329.591,922 108.862,923 170.153,926 329.591,927 46.206,928 127.071,929 52.807,930 52.93,931 329.591,932 108.862,933 170.153,935 0.581,936 0.35,937 0.197,938 0.114,939 31,940 13,941 0.082,942 6,943 2,944 1.133,945 4.648,946 388.339,947 0.133,948 30,949 184.75,954 23.927,955 10.137,956 4.685,957 1.674,958 92.076,959 21.888,960 4.887,961 3.439,964 5.054,966 52.807,967 608.606,968 55,973 13.449,977 1.275,980 67.65,981 76.308,983 0.24,984 0.606,985 0.797,986 0.893,987 0.905,988 0.905,989 5.281,990 1.969,991 6.188,992 6.371,993 4.796,994 5.335,995 1.792,996 7.034,997 4.734,998 6.49,999 1.807,1000 7.761,1001 5.798,1002 4.369,1003 5.139,1004 0.325,1005 7.982,1006 4.284,1007 7.807,1008 1.61,1009 9.432,1010 5.593,1011 6.418,1012 7.559,1013 1.632,1014 11.131,1015 6.305,1016 9.161,1017 1.522,1018 11.164,1019 4.787,1020 6.836,1021 8.218,1022 0.268,1023 12.966,1024 6.704,1025 10.551,1026 1.396,1027 12.936,1028 4.297,1029 8.334,1030 10.102,1031 1.589,1032 15.647,1033 8.184,1034 11.966,1035 1,1036 14.738,1037 3.225,1038 9.151,1039 11.177,1040 0.188,1041 17.868,1042 8.988,1043 13.402,1044 1,1045 16.563,1046 2.317,1047 10.436,1048 12.835,1049 1.592,1050 20.408,1051 10.26,1052 3.356,1053 0.865,1054 18.408,1055 2.275,1056 11.445,1057 14.119,1058 0.125,1059 22.794,1060 11.261,1061 3.022,1062 12.326,1063 20.269,1064 2.136,1065 12.651,1066 15.676,1067 1.624,1068 25.296,1069 12.457,1070 2.774,1071 9.932,1072 22.144,1073 4.51,1074 13.752,1075 17.063,1076 0.082,1077 27.749,1078 13.552,1079 2.669,1080 9.082,1081 24.03,1082 4.245,1083 14.935,1084 18.577,1085 1.676,1086 30.246,1087 14.727,1088 2.399,1089 7.752,1090 25.926,1091 3.73,1092 16.08,1093 20.015,1094 0.054,1095 32.729,1096 15.866,1097 2.312,1098 6.908,1099 27.831,1100 3.207,1101 17.259,1102 21.511,1103 1.742,1104 35.228,1105 17.039,1106 2.114,1107 6.695,1108 29.743,1109 3.12,1110 18.427,1111 22.975,1112 0.035,1113 37.724,1114 18.201,1115 19237,1116 28887,1117 28.838,1118 45.836,1119 63.703,1120 64.606,1121 65.403,1122 63.164,1123 63.259,1124 82.199,1125 6.237,1126 186.357,1127 61.272,1128 5.726,1129 5.697,1130 6.898,1131 5.386,1132 5.356,1133 7.51,1134 2.117,1135 19.865,1136 5.322,1137 14.668,1138 1.517,1139 1.538,1140 1.557,1141 1.504,1142 1.506,1143 1.957,1144 0.148,1145 4.437,1146 1.459,1147 4.151,1148 4.185,1149 4.123,1150 4.052,1151 7.429,1152 4.064,1153 4,1154 4.034,1155 3.96,1156 3.907,1157 5.091,1158 3.916,1159 3.877,1160 3.928,1161 3.798,1162 3.803,1163 4.801,1164 3.798,1165 3.834,1166 3.876,1167 3.729,1168 3.694,1169 4.719,1170 3.694,1171 3.531,1172 3.579,1173 3.464,1174 3.397,1175 4.645,1176 3.407,1177 3.449,1178 3.515,1179 3.345,1180 3.256,1181 4.377,1182 3.25,1183 3.358,1184 3.407,1185 3.208,1186 3.148,1187 4.155,1188 3.171,1189 3.144,1190 3.22,1191 2.991,1192 2.941,1193 4.075,1194 2.925,1195 0.113,1196 0.088,1197 0.169,1198 0.103,1199 0.08,1200 4.726,1201 0.107,1202 3.697,1203 0.025,1204 7.096,1205 0.293,1206 4.346,1207 0.079,1208 3.356,1209 4.51,1210 1.058,1211 12.326,1212 3.322,1213 1.964,1214 1.944,1215 2.071,1216 2.064,1217 1.413,1218 2.07,1219 1.904,1220 1.881,1221 2.037,1222 2.021,1223 1.185,1224 2.024,1225 1.884,1226 1.847,1227 1.986,1228 1.999,1229 1.098,1230 2.001,1231 1.795,1232 1.742,1233 1.94,1234 1.922,1235 1.06,1236 1.931,1237 1.542,1238 1.511,1239 1.771,1240 1.72,1241 0.973,1242 1.71,1243 1.451,1244 1.366,1245 1.62,1246 1.67,1247 0.825,1248 1.69,1249 1.246,1250 1.193,1251 1.565,1252 1.551,1253 0.718,1254 1.543,1255 1.173,1256 1.109,1257 1.513,1258 1.476,1259 0.576,1260 1.447,1261 4.443,1263 5.784,1264 3.045,1265 7.322,1266 5.476,1267 8.948,1268 7.636,1269 10.623,1271 3.861,1277 5.55,1278 6.788,1279 5.388,1281 0.428,1282 2.485,1289 43.385,1290 99.551,1291 250.843,1292 330.119,1293 369.683,1294 374.438,1295 374.438,1296 56.457,1297 8.721,1298 86.04,1299 86.04,1300 34,1301 13.088,1302 4.644,1303 3.807,1304 50.757,1305 157,1306 221,1307 0.151,1308 261.016,1309 450.7,1310 628.638,1311 78960,1313 25.355,1314 0.685,1315 0.572,1316 25.355,1317 21.175,1318 18.123,1319 0.431,1320 0.307,1321 12.758,1322 17.537,1323 12.451,1324 10.306,1325 18.123,1326 12.911,1327 16.238,1328 0.271,1329 0.161,1330 16.238,1331 9.652,1332 14.413,1333 0.172,1334 0.088,1335 14.413,1336 7.409,1337 12.52,1338 0.106,1339 0.046,1340 12.52,1341 5.37,1342 10.719,1343 0.068,1344 0.024,1345 10.719,1346 3.855,1347 0.235,1348 112.675,1349 0.186,1350 33.264,1351 0.426,1352 204,1353 513.76,1354 219.445,1355 503.473,1356 712,1357 476,1358 246,1359 543.59,1360 261.836,1361 554.086,1362 819.81,1363 524,1364 6.116}
{0 CHEMBL2086760,1 1.549,2 12.156,3 3.436,4 11.808,5 129.957,6 7.724,7 0.472,8 4.163,9 4.291,10 3.769,11 3.739,12 5.211,13 3.709,14 4.714,15 4.89,16 4.157,17 4.163,18 5.726,19 4.107,20 4.99,21 5.214,22 4.184,23 4.309,24 5.914,25 4.215,26 5.037,27 5.267,28 4.182,29 4.337,30 5.961,31 4.235,32 5.094,33 5.329,34 4.286,35 4.356,36 6.136,37 4.274,38 5.087,39 5.308,40 4.259,41 4.358,42 6.144,43 4.27,44 5.028,45 5.268,46 4.155,47 4.257,48 5.995,49 4.139,50 4.855,51 5.086,52 4.104,53 4.112,54 5.864,55 3.992,56 0.035,57 0.877,58 11.519,59 4.999,60 8.232,61 6.754,62 0.198,63 1.448,64 22.53,65 8.716,66 22.843,67 12.047,68 0.292,69 1.754,70 34.571,71 11.995,72 33.671,73 16.649,74 0.242,75 1.825,76 35.691,77 13.284,78 33.276,79 18.542,80 0.409,81 1.933,82 36.6,83 13.634,84 57.473,85 19.104,86 0.359,87 1.925,88 36.039,89 12.842,90 59.56,91 17.753,92 0.448,93 1.737,94 37.205,95 12.609,96 55.31,97 17.532,98 0.36,99 1.431,100 33.749,101 10.747,102 49.458,103 14.787,104 11,105 51,106 0.251,107 0.616,108 0.786,109 0.845,110 0.851,111 0.851,112 3.503,113 0.954,114 -4.59,115 -4.51,116 -4.25,118 43.1,119 1,120 2,124 3,126 1,133 2,138 7,139 2,140 3,141 1,147 1,153 1,156 1,167 9,171 5,173 2,175 8,178 14,182 4,186 7,188 13,192 6,195 1,197 5,199 14,203 1,204 6,206 2,207 2,208 6,211 11,215 5,218 1,220 5,223 8,228 4,231 1,232 1,233 6,235 7,240 4,245 3,247 7,252 3,255 1,257 2,260 7,264 1848,265 22.041,266 22.041,267 22.041,268 22.041,269 22.041,270 19.707,271 26.705,272 12.916,273 22.545,274 17.736,275 17.736,276 17.736,277 17.736,278 17.736,279 14.173,280 42.886,281 6.101,282 18.557,283 4.309,284 2.052,285 0.999,286 0.634,287 0.599,288 0.599,289 4.211,290 1,293 1,294 1,295 858,296 3.162,299 160.499,300 294.331,303 133.012,307 1.729,308 25.491,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 67.833,320 389,321 4.705,322 3.697,323 7.091,324 4.336,325 3.344,326 4.345,327 1.058,328 12.302,329 3.317,330 4.224,331 3.037,332 6.334,333 3.851,334 2.876,335 3.829,336 0.8,337 9.607,338 2.806,339 3.889,340 2.954,341 5.625,342 3.639,343 2.684,344 3.466,345 0.4,346 7.759,347 2.563,348 3.811,349 2.862,350 5.438,351 3.389,352 2.454,353 3.195,355 6.92,356 2.313,357 3.608,358 2.8,359 5.312,360 3.338,361 2.396,362 2.836,364 6.675,365 2.231,366 3.466,367 2.542,368 5.258,369 3.082,370 2.127,371 2.628,373 6.379,374 2.025,375 3.317,376 2.202,377 4.944,378 2.956,379 2.024,380 2.501,382 5.731,383 1.838,384 3.061,385 2.045,386 4.908,387 2.811,388 1.835,389 2.163,391 5.569,392 1.757,393 3.015,394 1.859,395 4.727,396 2.616,397 1.626,398 2.068,400 4.797,401 1.585,402 2.713,403 1.316,404 4.046,405 2.232,406 1.263,407 1.784,409 3.113,410 1.207,411 2.5,412 1.077,413 3.471,414 2,415 1,416 1.5,417 2.275,418 1,419 2.32,420 1,421 3.414,422 1.984,423 1,424 1.162,425 2.275,426 0.983,427 2.118,428 0.877,429 3.414,430 1.776,431 0.801,432 1,433 2.032,434 0.777,435 2,436 0.813,437 3.135,438 1.569,439 0.618,440 0.927,441 1.372,442 0.58,443 1.69,444 0.651,445 3.037,446 1.518,447 0.603,448 0.624,449 1.134,450 0.556,451 15.548,452 0.486,453 0.725,454 0.023,455 41.25,456 1.289,457 20,458 0.625,459 21.25,460 0.664,461 29.173,462 0.912,463 33.652,464 0.58,465 31.776,466 0.993,467 7.888,468 0.246,469 7.731,470 0.242,471 0.1,473 0.347,478 0.794,479 1.295,480 0.672,481 0.952,482 0.583,483 0.89,484 0.799,485 1.14,486 0.751,487 0.927,488 0.524,489 0.921,490 1.047,491 0.962,492 0.94,493 0.917,494 0.832,495 0.931,496 0.763,497 1.039,498 0.82,499 1.006,500 0.7,501 0.971,502 0.731,503 0.963,504 0.59,505 0.858,506 0.941,507 0.831,508 1.143,509 1.088,510 0.813,511 0.957,512 1.292,513 0.974,514 1.015,515 0.958,516 0.887,517 0.957,518 1.219,519 0.988,520 1.008,521 1.062,522 1.081,523 1.049,524 0.911,525 1.03,526 6,527 0.118,528 3.111,529 2.257,530 1.923,531 1.133,532 0.9,533 0.623,534 0.379,535 0.229,536 13886,537 34071,538 2.154,539 44.8,541 14,542 1,543 1,544 3,546 3,547 4,549 1.749,550 2.043,551 3.476,552 0.822,558 89.845,559 1.549,560 3.806,561 4.859,562 5.224,563 5.259,564 5.259,565 3.016,566 4.5,567 4.966,568 3.658,569 1814.32,570 8.717,571 25626.6,573 1,576 339.763,577 1.317,578 4.943,579 0.167,580 0.004,581 0.061,582 0.044,583 0.037,584 0.02,585 0.017,586 0.014,587 0.01,588 0.008,589 0.381,590 0.17,591 0.88,592 0.633,593 166.089,594 -0.059,595 -0.108,596 0.03,597 0.005,598 -0.029,599 0.034,600 0.034,601 -0.011,602 0.026,603 0.019,604 0.099,605 0.012,606 -0.127,607 0.069,608 -0.036,609 0.05,610 -0.012,611 0.035,612 0.021,613 -0.046,614 0.022,615 -0.025,616 0.071,617 0.02,618 0.208,619 0.031,620 0.173,621 0.095,622 0.196,623 0.141,624 -0.07,625 -0.061,626 -0.011,627 -0.016,628 -0.015,629 -0.027,630 0.03,631 0.025,632 0.041,633 0.011,634 -0.074,635 -0.015,636 0.072,637 -0.083,638 0.065,639 -0.047,640 0.094,641 -0.046,642 1.797,643 6.116,644 0.813,645 32.766,646 0.998,647 1.124,648 3.359,649 11.285,650 0.685,651 3.611,652 3.951,653 4.263,654 4.585,655 4.844,656 4.97,657 5.17,658 5.328,659 5.366,660 5.472,661 6.81,662 0.646,663 448.01,664 3.611,665 5.165,666 6.033,667 6.929,668 7.82,669 8.724,670 9.627,671 10.537,672 11.447,673 12.361,674 8.6,677 1,679 1,681 1,682 1,684 1,690 9,691 1,692 1,695 6,697 17,709 1,715 1,716 58,718 19,719 2,720 36,722 62,723 25,724 15,725 5,726 7,727 3,728 5,729 6,730 1,732 1,735 3,738 3,740 18,741 7,744 2,749 1,753 3,760 26,761 5,762 3,763 7,764 1,766 1,769 5,775 0.8,776 1,793 2,794 3,797 1,807 1,812 2,816 1,819 4,823 1,824 1,827 32,833 5,834 2,837 1,838 1,849 1,850 1.7,853 1,858 15.667,859 10.543,860 7,861 3.73,863 2.863,864 1.355,865 1.025,866 6.048,867 10.925,868 3.861,869 4.446,870 5.036,871 5.647,872 6.192,873 6.563,874 7.044,875 7.494,876 7.789,877 8.098,878 1,879 51,880 11.856,881 5.129,882 7.608,883 23.044,884 19.524,885 2.108,886 67.444,889 1,890 270.735,891 133.429,892 72.717,893 39.149,894 25.145,897 133.429,898 335.029,899 72.717,900 8.825,901 29.397,902 75.381,903 78.745,904 50.714,905 11.771,906 247.193,907 39.149,908 270.735,909 206.146,910 25.145,911 39.149,913 188.338,914 107.543,917 69.507,918 101.842,919 73.945,921 270.735,922 97.862,923 172.578,926 270.735,927 40.175,928 96.378,929 52.807,930 81.079,931 270.735,932 97.862,933 172.578,935 0.581,936 0.345,937 0.193,938 0.11,939 26,940 11,941 0.081,942 5,943 1,944 1.077,945 4.262,946 310.557,947 0.077,948 26,949 150,954 21.259,955 9.103,956 4.364,958 81.076,959 17.052,960 4.452,961 3.166,964 4.905,966 52.807,967 541.175,968 46.5,973 13.116,977 1.243,980 57.88,981 65.212,983 0.264,984 0.65,985 0.83,986 0.892,987 0.898,988 0.898,989 5.113,990 1.835,991 6.019,992 5.731,993 4.635,994 5.133,995 1.509,996 6.853,997 4.557,998 6.311,999 1.626,1000 7.585,1001 5.569,1002 4.205,1003 4.868,1004 0.325,1005 7.801,1006 4.083,1007 7.617,1008 1.263,1009 9.252,1010 4.797,1011 6.244,1012 7.285,1013 1.391,1014 10.948,1015 6.113,1016 8.96,1017 1,1018 10.981,1019 3.113,1020 6.661,1021 7.872,1022 0.268,1023 12.804,1024 6.51,1025 10.338,1026 1,1027 12.753,1028 2.275,1029 8.148,1030 9.738,1031 1.408,1032 15.492,1033 7.991,1034 11.742,1035 0.801,1036 14.557,1037 2.275,1038 8.964,1039 10.739,1040 0.188,1041 17.739,1042 8.804,1043 13.168,1044 0.618,1045 16.386,1046 2.032,1047 10.243,1048 12.373,1049 1.463,1050 20.29,1051 10.078,1052 3.344,1053 0.603,1054 18.236,1055 1.372,1056 11.253,1057 13.588,1058 0.125,1059 22.695,1060 11.092,1061 2.876,1062 12.302,1063 20.104,1064 1.134,1065 12.459,1066 15.119,1067 1.533,1068 25.207,1069 12.295,1070 2.684,1071 9.607,1072 21.986,1073 4.345,1074 13.563,1075 16.447,1076 0.082,1077 27.673,1078 13.402,1079 2.454,1080 7.759,1081 23.881,1082 3.829,1083 14.748,1084 17.932,1085 1.613,1086 30.177,1087 14.585,1088 2.396,1089 6.92,1090 25.786,1091 3.466,1092 15.897,1093 19.321,1094 0.054,1095 32.667,1096 15.735,1097 2.127,1098 6.675,1099 27.7,1100 3.195,1101 17.08,1102 20.786,1103 1.698,1104 35.171,1105 16.916,1106 2.024,1107 6.379,1108 29.62,1109 2.836,1110 18.253,1111 22.207,1112 0.035,1113 37.671,1114 18.088,1115 13004,1116 20646,1117 24.561,1118 39.716,1119 54.609,1120 55.295,1121 55.644,1122 54.082,1123 53.955,1124 68.845,1125 4.517,1126 157.394,1127 51.689,1128 5.705,1129 5.697,1130 6.685,1131 5.377,1132 5.344,1133 7.345,1134 2.117,1135 19.81,1136 5.317,1137 13.255,1138 1.517,1139 1.536,1140 1.546,1141 1.502,1142 1.499,1143 1.912,1144 0.125,1145 4.372,1146 1.436,1147 4.093,1148 4.123,1149 4.082,1150 4.014,1151 7.429,1152 4.02,1153 3.91,1154 3.963,1155 3.935,1156 3.824,1157 5.023,1158 3.821,1159 3.838,1160 3.892,1161 3.805,1162 3.697,1163 4.915,1164 3.697,1165 3.801,1166 3.848,1167 3.727,1168 3.631,1169 4.763,1170 3.652,1171 3.491,1172 3.56,1173 3.446,1174 3.314,1175 4.383,1176 3.328,1177 3.378,1178 3.428,1179 3.293,1180 3.231,1181 4.323,1182 3.216,1183 3.111,1184 3.206,1185 3.195,1186 2.941,1187 4.113,1188 2.92,1189 3.06,1190 3.126,1191 2.866,1192 2.914,1193 3.9,1194 2.91,1195 0.131,1196 0.103,1197 0.197,1198 0.12,1199 0.093,1200 4.705,1201 0.121,1202 3.697,1203 0.029,1204 7.091,1205 0.342,1206 4.336,1207 0.092,1208 3.344,1209 4.345,1210 1.058,1211 12.302,1212 3.317,1213 1.961,1214 1.943,1215 2.069,1216 2.063,1217 1.413,1218 2.069,1219 1.882,1220 1.847,1221 2.012,1222 2,1223 1.184,1224 2.009,1225 1.794,1226 1.742,1227 1.931,1228 1.918,1229 1.059,1230 1.927,1231 1.538,1232 1.509,1233 1.771,1234 1.728,1235 0.973,1236 1.712,1237 1.451,1238 1.366,1239 1.637,1240 1.67,1241 0.825,1242 1.702,1243 1.4,1244 1.338,1245 1.544,1246 1.613,1247 0.714,1248 1.594,1249 1.167,1250 1.114,1251 1.513,1252 1.458,1253 0.553,1254 1.429,1255 1.153,1256 1.064,1257 1.328,1258 1.376,1259 0.526,1260 1.417,1261 4.29,1263 5.624,1264 3.045,1265 7.149,1266 5.352,1267 8.764,1268 7.424,1269 10.429,1271 2.212,1272 6.112,1277 5.571,1278 6.699,1281 0.439,1282 2.478,1289 37.444,1290 89.845,1291 220.769,1292 281.847,1293 303.008,1294 305.008,1295 305.008,1296 50.303,1297 8.061,1298 76.81,1299 76.81,1300 28,1301 12.875,1302 4.322,1303 3.524,1304 45.516,1305 126,1306 171,1307 0.172,1308 230.639,1309 399.16,1310 554.518,1311 34822,1312 1.7,1313 22.079,1314 0.69,1315 0.586,1316 22.579,1317 18.746,1318 15.619,1319 0.434,1320 0.318,1321 10.983,1322 14.865,1323 10.719,1324 8.841,1325 15.907,1326 11.445,1327 14.066,1328 0.276,1329 0.171,1330 14.474,1331 8.698,1332 12.186,1333 0.174,1334 0.093,1335 12.475,1336 6.54,1337 10.432,1338 0.108,1339 0.048,1340 10.599,1341 4.678,1342 8.652,1343 0.069,1344 0.027,1345 8.866,1346 3.348,1347 0.267,1348 99.801,1349 0.202,1350 29.563,1351 0.485,1352 174,1353 442.228,1354 201.42,1355 466.679,1356 642.66,1357 438,1358 208,1359 462.274,1360 229.938,1361 480.053,1362 708.44,1363 455,1364 5.903}
{0 CHEMBL215152,1 1.681,2 17.459,3 3.771,4 14.22,5 139.919,6 7.577,7 0.55,8 4.307,9 4.435,10 3.872,11 3.771,12 5.458,13 3.774,14 4.827,15 5.009,16 4.192,17 4.127,18 5.96,19 4.108,20 5.066,21 5.289,22 4.202,23 4.231,24 6.134,25 4.185,26 5.098,27 5.335,28 4.193,29 4.241,30 6.171,31 4.167,32 5.13,33 5.377,34 4.134,35 4.209,36 6.206,37 4.136,38 5.077,39 5.331,40 4.092,41 4.138,42 6.191,43 4.06,44 4.929,45 5.166,46 3.994,47 4.054,48 5.984,49 3.995,50 4.815,51 5.039,52 3.982,53 4.027,54 5.903,55 3.96,56 0.144,57 1.088,58 13.616,59 5.607,60 16.068,61 7.417,62 0.443,63 1.651,64 25.778,65 8.954,66 42.252,67 12.355,68 0.745,69 1.9,70 35.981,71 10.775,72 73.434,73 15.28,74 0.757,75 1.89,76 37.31,77 12.071,78 69.112,79 17.533,80 0.771,81 1.811,82 39.939,83 12.191,84 98.061,85 17.545,86 0.945,87 1.666,88 38.803,89 11.702,90 116.811,91 17.129,92 0.766,93 1.581,94 32.383,95 9.258,96 76.09,97 13.442,98 0.524,99 1.523,100 26.96,101 8.899,102 47.555,103 13.035,104 27,105 53,106 0.264,107 0.627,108 0.817,109 0.91,110 0.91,111 0.91,112 3.641,113 0.908,114 -4.34,115 -4.28,116 -4.04,118 38.8,119 1,120 2,124 5,138 8,139 1,140 3,142 1,143 2,144 1,148 1,153 1,163 1,167 4,170 1,171 10,173 3,175 7,178 7,182 4,184 1,185 1,186 2,188 2,191 3,192 9,195 2,196 1,197 5,199 6,203 1,204 2,206 2,208 3,211 3,214 2,215 9,218 2,219 1,220 3,223 7,228 3,231 2,233 3,235 2,239 3,240 6,243 1,245 5,247 5,252 2,255 1,257 4,260 1,264 3142,265 25.342,266 25.342,267 25.342,268 25.342,269 25.342,270 22.558,271 34.329,272 15.396,273 26.028,274 19.724,275 19.724,276 19.724,277 19.724,278 19.724,279 15.519,280 51.895,281 7.238,282 20.792,283 4.385,284 2.082,285 0.87,286 0.28,287 0.28,288 0.28,289 4.338,294 1,295 1367,296 4.472,299 108.317,300 361.786,304 188.83,307 3.229,308 42.761,311 0.75,312 0.5,313 0.67,314 0.7,315 0.5,316 0.67,317 0.5,318 0.61,319 82,320 646,321 4.526,322 3.63,323 6.529,324 4.042,325 3.075,326 4.464,327 1.987,328 10.306,329 2.975,330 4.148,331 3.155,332 5.728,333 3.759,334 2.788,335 3.75,336 0.86,337 8.122,338 2.706,339 4.055,340 2.951,341 5.572,342 3.626,343 2.667,344 3.657,345 0.8,346 7.651,347 2.553,348 3.774,349 2.876,350 5.43,351 3.401,352 2.478,353 3.213,354 0.4,355 7.171,356 2.298,357 3.616,358 2.804,359 5.299,360 3.36,361 2.423,362 2.867,363 0.324,364 6.787,365 2.259,366 3.466,367 2.709,368 5.15,369 3.232,370 2.266,371 2.655,373 6.375,374 2.172,375 3.34,376 2.319,377 4.961,378 2.925,379 1.993,380 2.466,382 5.729,383 1.848,384 3.206,385 2.24,386 4.757,387 2.769,388 1.816,389 2.442,391 5.211,392 1.715,393 3.039,394 1.87,395 4.44,396 2.567,397 1.597,398 2.252,400 4.417,401 1.537,402 2.96,403 1.693,404 4.148,405 2.482,406 1.543,407 2.119,409 3.725,410 1.442,411 2.657,412 1.567,413 3.617,414 2.369,415 1.417,416 1.728,417 3.03,418 1.342,419 2.518,420 1.476,421 3.479,422 2.171,423 1.18,424 1.52,425 2.587,426 1.165,427 2.385,428 1.275,429 3.402,430 2.02,431 1.099,432 1.341,433 2.224,434 1.003,435 2.206,436 1.022,437 3.28,438 1.904,439 0.947,440 1.102,441 1.822,442 0.904,443 2.103,444 0.864,445 3.13,446 1.71,447 0.728,448 1.064,449 1.738,450 0.714,451 17.086,452 0.462,453 0.724,454 0.02,455 47.5,456 1.284,457 23,458 0.622,459 24.5,460 0.662,461 31.584,462 0.854,463 41.114,464 0.614,465 38.653,466 1.045,467 9.642,468 0.261,469 8.391,470 0.227,471 0.085,473 0.287,477 1,478 0.795,479 1.298,480 0.782,481 1.15,482 0.658,483 0.992,484 0.887,485 1.151,486 0.895,487 1.079,488 0.658,489 1.003,490 1.179,491 1.024,492 1.052,493 0.934,494 1.017,495 0.953,496 0.727,497 0.948,498 0.91,499 1.057,500 0.646,501 1.032,502 1.015,503 0.92,504 0.957,505 0.977,506 1.099,507 0.96,508 0.83,509 0.823,510 0.828,511 0.857,512 0.7,513 0.857,514 1.144,515 0.934,516 1.035,517 0.836,518 0.938,519 0.894,520 0.648,521 1.004,522 0.948,523 1.095,524 0.546,525 1.084,526 7.5,527 0.206,528 2.667,529 2.444,530 1.449,531 0.962,532 0.534,533 0.481,534 0.303,535 0.306,536 24809,537 71439,538 2.071,539 44.8,541 18,543 1,544 4,545 2,546 3,547 2,549 1.775,550 1.965,551 4.047,552 1.525,558 112.603,559 1.681,560 3.984,561 5.196,562 5.786,563 5.786,564 5.786,565 3.517,566 5.155,567 5.172,568 4.276,569 2847.78,570 9.075,571 51192.2,576 406.428,577 1.283,578 5.153,579 0.188,580 0.006,581 0.05,582 0.047,583 0.029,584 0.02,585 0.012,586 0.011,587 0.007,588 0.008,589 0.379,591 0.75,592 1.56,593 210.706,594 -0.06,595 -0.137,596 0.034,597 -0.049,598 -0.055,599 0.002,600 -0.027,601 -0.09,602 0.003,603 -0.056,604 0.023,605 -0.031,606 -0.162,607 -0.012,608 -0.081,609 0.039,610 -0.102,611 0.007,612 0.112,613 -0.005,614 0.047,615 -0.064,616 0.09,617 -0.034,618 -0.053,619 -0.032,620 0.036,621 -0.003,622 -0.059,623 0.03,624 0.131,625 0.002,626 0.179,627 0.113,628 0.14,629 0.142,630 -0.124,631 0.019,632 -0.044,633 0.12,634 -0.099,635 0.068,636 0.095,637 -0.009,638 -0.026,639 -0.097,640 0.068,641 -0.093,642 2.084,643 5.319,644 0.568,645 61.746,646 1.012,647 1.141,648 3.115,649 9.701,650 0.649,651 3.714,652 3.989,653 4.205,654 4.454,655 4.605,656 4.673,657 4.787,658 4.942,659 5.05,660 5.124,661 10.066,662 0.627,663 507.63,664 3.714,665 5.231,666 6.052,667 6.907,668 7.743,669 8.604,670 9.448,671 10.314,672 11.164,673 12.034,674 10.4,677 1,681 1,682 2,684 3,689 2,690 9,691 3,692 1,695 6,697 22,709 1,714 1,715 1,716 67,718 23,719 2,720 40,722 70,723 26,724 17,725 5,726 7,728 4,729 5,732 2,738 2,740 18,741 8,744 1,749 1,753 1,758 1,760 30,761 10,762 4,763 11,769 7,775 0.75,776 3,777 1,785 1,788 1,793 1,794 3,798 1,807 1,816 1,817 1,819 3,823 1,825 1,827 37,832 1,833 7,834 2,835 1,838 1,849 1,850 4.5,851 1,853 1,855 1,858 18.833,859 11.976,860 8.389,861 4.04,863 4.241,864 1.511,865 0.961,866 9.52,867 12.544,868 3.97,869 4.535,870 5.07,871 5.663,872 6.143,873 6.418,874 6.796,875 7.218,876 7.598,877 7.779,878 0.917,879 52,880 13.677,881 5.722,882 7.892,883 25.769,884 20.475,885 2.392,886 88.5,890 306.049,891 143.188,892 106.043,894 78.828,895 14.96,897 143.188,898 384.877,899 121.003,900 8.825,901 33.989,902 118.493,903 91.855,904 79.255,905 22.373,906 294.278,908 306.049,909 249.231,910 93.788,913 262.153,914 95,915 42.683,917 91.375,918 107.621,919 50.234,921 321.009,922 184.871,923 143.188,926 306.049,927 49.934,928 96.378,929 52.685,930 144.022,931 306.049,932 199.831,933 143.188,935 0.563,936 0.32,937 0.176,938 0.089,939 22,940 10,941 0.186,942 13,943 1,944 1.095,945 4.954,946 329.043,947 0.095,948 21,949 192.75,954 26.642,955 13.221,956 7.782,957 1.513,958 183.168,959 14.521,960 12.897,961 2.832,964 2.348,966 95.368,967 649.068,968 52,973 12.293,977 -0.295,980 67.81,981 76.438,983 0.277,984 0.657,985 0.857,986 0.954,987 0.954,988 0.954,989 5.179,990 1.816,991 6.004,992 5.729,993 4.673,994 5.223,995 2.373,996 6.744,997 4.575,998 6.358,999 1.597,1000 7.512,1001 5.211,1002 4.111,1003 4.945,1004 1.668,1005 7.466,1006 3.966,1007 7.641,1008 1.543,1009 9.113,1010 4.417,1011 6.196,1012 7.39,1013 3.17,1014 10.538,1015 6.013,1016 8.959,1017 1.417,1018 10.769,1019 3.725,1020 6.447,1021 7.962,1022 3.181,1023 12.104,1024 6.224,1025 10.307,1026 1.18,1027 12.463,1028 3.03,1029 7.967,1030 9.866,1031 4.326,1032 14.676,1033 7.711,1034 11.679,1035 1.099,1036 14.183,1037 2.587,1038 8.621,1039 10.869,1040 4.656,1041 16.637,1042 8.331,1043 13.069,1044 0.947,1045 15.924,1046 2.224,1047 9.892,1048 12.535,1049 5.604,1050 19.036,1051 9.572,1052 3.075,1053 0.728,1054 17.682,1055 1.822,1056 10.756,1057 13.769,1058 6.091,1059 21.191,1060 10.405,1061 2.788,1062 10.306,1063 19.454,1064 1.738,1065 11.917,1066 15.327,1067 6.928,1068 23.533,1069 11.537,1070 2.667,1071 8.122,1072 21.239,1073 4.464,1074 12.89,1075 16.682,1076 7.501,1077 25.78,1078 12.481,1079 2.478,1080 7.651,1081 23.035,1082 3.75,1083 14.005,1084 18.193,1085 8.273,1086 28.107,1087 13.568,1088 2.423,1089 7.171,1090 24.841,1091 3.657,1092 15.036,1093 19.611,1094 8.894,1095 30.397,1096 14.57,1097 2.266,1098 6.787,1099 26.656,1100 3.213,1101 16.135,1102 21.105,1103 9.631,1104 32.722,1105 15.641,1106 1.993,1107 6.375,1108 28.478,1109 2.867,1110 17.198,1111 22.556,1112 10.279,1113 35.033,1114 16.675,1115 23907,1116 40870,1117 26.929,1118 43.478,1119 57.72,1120 59.01,1121 59.7,1122 57.527,1123 57.475,1124 74.798,1125 8.742,1126 156.512,1127 54.599,1128 5.452,1129 5.63,1130 6.311,1131 5.126,1132 5.075,1133 7.464,1134 3.497,1135 17.2,1136 4.975,1137 17.777,1138 1.443,1139 1.475,1140 1.492,1141 1.438,1142 1.437,1143 1.87,1144 0.219,1145 3.913,1146 1.365,1147 4.079,1148 4.117,1149 4.047,1150 3.972,1151 8.201,1152 3.985,1153 3.943,1154 3.985,1155 3.896,1156 3.833,1157 7.429,1158 3.839,1159 3.875,1160 3.921,1161 3.827,1162 3.721,1163 6.456,1164 3.743,1165 3.771,1166 3.844,1167 3.637,1168 3.574,1169 5.109,1170 3.578,1171 3.525,1172 3.577,1173 3.435,1174 3.317,1175 4.966,1176 3.333,1177 3.436,1178 3.483,1179 3.361,1180 3.219,1181 4.674,1182 3.235,1183 3.35,1184 3.418,1185 3.214,1186 3.144,1187 4.659,1188 3.167,1189 3.331,1190 3.406,1191 3.108,1192 3.124,1193 4.275,1194 3.106,1195 0.113,1196 0.091,1197 0.163,1198 0.101,1199 0.077,1200 4.526,1201 0.112,1202 3.63,1203 0.05,1204 6.529,1205 0.258,1206 4.042,1207 0.074,1208 3.075,1209 4.464,1210 1.987,1211 10.306,1212 2.975,1213 2.002,1214 1.978,1215 2.064,1216 2.118,1217 1.267,1218 2.102,1219 1.882,1220 1.854,1221 1.986,1222 2.001,1223 1.171,1224 1.996,1225 1.724,1226 1.654,1227 1.961,1228 1.951,1229 1.063,1230 1.959,1231 1.641,1232 1.602,1233 1.788,1234 1.82,1235 1.024,1236 1.809,1237 1.486,1238 1.425,1239 1.769,1240 1.73,1241 0.975,1242 1.733,1243 1.389,1244 1.323,1245 1.677,1246 1.636,1247 0.871,1248 1.629,1249 1.339,1250 1.259,1251 1.524,1252 1.598,1253 0.549,1254 1.614,1255 1.235,1256 1.178,1257 1.378,1258 1.486,1259 0.469,1260 1.456,1261 4.394,1263 5.68,1264 2.398,1265 7.146,1266 4.595,1267 8.7,1268 6.555,1269 10.305,1271 2.07,1273 13.319,1276 9.089,1277 4.032,1278 5.819,1279 5.889,1282 2.173,1289 41.999,1290 112.603,1291 266.902,1292 348.163,1293 387.673,1294 387.673,1295 387.673,1296 80.399,1297 8.303,1298 128.29,1299 128.29,1300 23,1301 12.582,1302 4.585,1303 3.7,1304 65.309,1305 220,1306 236,1307 0.14,1308 259.143,1309 445.72,1310 624.07,1311 59378,1312 1.5,1313 26.037,1314 0.704,1315 0.556,1316 25.167,1317 20.576,1318 18.034,1319 0.451,1320 0.303,1321 11.89,1322 17.112,1323 11.684,1324 9.668,1325 17.64,1326 12.113,1327 15.637,1328 0.295,1329 0.158,1330 15.003,1331 8.4,1332 12.456,1333 0.189,1334 0.086,1335 12.136,1336 5.696,1337 10.618,1338 0.125,1339 0.045,1340 10.267,1341 3.856,1342 7.92,1343 0.08,1344 0.024,1345 7.79,1346 2.327,1347 0.23,1348 114.505,1349 0.193,1350 34.912,1351 0.355,1352 186,1353 639.311,1354 210.266,1355 585.122,1356 784.3,1357 548,1358 212,1359 563.94,1360 234.712,1361 559.909,1362 810.57,1363 527,1364 5}
{0 CHEMBL2152698,1 1.501,2 7,3 3.508,4 12.304,5 91.277,6 7.473,7 0.462,8 3.826,9 3.951,10 3.408,11 3.402,12 4.925,13 3.381,14 4.365,15 4.539,16 3.803,17 3.828,18 5.41,19 3.781,20 4.627,21 4.821,22 3.964,23 3.999,24 5.646,25 3.949,26 4.723,27 4.922,28 4.003,29 4.018,30 5.857,31 3.971,32 4.765,33 4.971,34 3.964,35 4.009,36 5.928,37 3.964,38 4.72,39 4.934,40 3.74,41 3.93,42 5.916,43 3.844,44 4.584,45 4.833,46 3.293,47 3.767,48 5.501,49 3.592,50 4.448,51 4.774,52 2.575,53 3.408,54 5.148,55 3.129,56 0.023,57 0.633,58 8.177,59 3.533,60 7.084,61 4.724,62 0.182,63 1.039,64 15.49,65 6.421,66 15.612,67 8.789,68 0.087,69 1.294,70 20.938,71 8.156,72 13.863,73 11.345,74 0.303,75 1.402,76 23.802,77 8.405,78 35.946,79 11.504,80 0.292,81 1.423,82 25.51,83 8.229,84 46.835,85 11.189,86 0.458,87 1.331,88 24.869,89 7.881,90 76.334,91 10.725,92 0.187,93 1.13,94 21.816,95 8.207,96 37.278,97 11.683,98 0.188,99 0.901,100 21.193,101 7.394,102 33.834,103 11.204,104 10,105 38,106 0.263,107 0.642,108 0.774,109 0.825,110 0.86,111 0.877,112 3.192,113 0.913,114 -5.4,115 -5.28,116 -4.93,118 43.9,119 1,120 4,133 2,138 4,139 2,140 1,143 2,144 1,153 1,158 1,159 1,160 1,167 12,170 3,171 7,172 1,173 1,175 1,178 13,180 1,182 9,186 1,188 9,190 1,191 2,192 14,194 2,195 2,197 2,199 6,201 2,204 12,208 2,211 10,213 2,214 1,215 6,217 1,218 1,220 3,223 12,225 3,228 3,233 3,235 10,237 3,240 1,245 1,247 5,249 1,260 1,264 617,265 15.742,266 15.742,267 15.742,268 15.742,269 15.742,270 13.87,271 19.488,272 9.175,273 15.965,274 12.817,275 12.817,276 12.817,277 12.817,278 12.817,279 9.966,280 26.433,281 4.298,282 13.175,283 3.857,284 1.699,285 0.945,286 0.653,287 0.457,288 0.36,289 3.889,292 1,293 1,294 1,295 354,296 2.121,300 172.697,304 134.121,307 0.957,308 21.712,309 1,310 1,311 0.75,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.86,319 49,320 161,321 4.721,322 3.864,323 7.195,324 4.386,325 3.415,326 4.329,327 1.2,328 12.661,329 3.318,330 4.222,331 3.099,332 6.53,333 3.858,334 2.881,335 3.809,336 0.293,337 10.144,338 2.813,339 3.993,340 3.042,341 6.154,342 3.59,343 2.606,344 3.445,346 8.781,347 2.56,348 3.588,349 2.599,350 5.658,351 3.246,352 2.272,353 2.839,355 7.155,356 2.207,357 3.144,358 2.189,359 4.917,360 2.751,361 1.793,362 2.316,364 5.112,365 1.709,366 2.885,367 1.737,368 4.4,369 2.479,370 1.506,371 2.053,373 3.846,374 1.466,375 2.848,376 1.598,377 4.029,378 2.414,379 1.434,380 1.986,382 3.33,383 1.414,384 2.749,385 1.472,386 3.788,387 2.403,388 1.414,389 1.816,391 3,392 1.385,393 2.438,394 1.422,395 3.606,396 2.102,397 1.142,398 1.402,400 2.658,401 1.092,402 2.143,403 1.205,404 3.576,405 2.002,406 1,407 1.095,409 2.511,410 0.998,411 1.722,412 0.814,413 3.275,414 1.285,415 0.272,416 0.362,417 0.697,418 0.273,419 1.17,420 0.137,421 2.792,422 0.9,423 -0.056,424 -0.064,425 -0.138,426 -0.053,427 1,428 -0.04,429 2.397,430 0.635,431 -0.334,432 -0.417,433 -0.763,434 -0.321,435 0.727,436 -0.338,437 2.317,438 0.394,439 -0.569,440 -0.657,441 -1.389,442 -0.546,443 0.518,444 -0.45,445 2,446 0.215,447 -0.787,448 -0.982,449 -1.927,450 -0.786,451 10.933,452 0.475,453 0.576,454 0.025,455 31.25,456 1.359,457 16,458 0.696,459 15.25,460 0.663,461 18.685,462 0.812,463 23.867,464 0.582,465 21.706,466 0.944,467 5.784,468 0.251,469 5.398,470 0.235,471 0.113,473 0.402,478 0.776,479 1.242,480 0.773,481 0.992,482 0.669,483 0.893,484 0.488,485 0.95,486 0.741,487 0.927,488 0.491,489 0.878,490 0.815,491 1.227,492 0.776,493 1.046,494 0.733,495 0.927,496 1.16,497 1.051,498 0.948,499 1.008,500 1.196,501 0.961,502 1.723,503 1.071,504 1.096,505 0.952,506 1.723,507 0.942,508 1.784,509 0.951,510 1.375,511 0.988,512 1.901,513 1.109,514 0.907,515 1.14,516 1.312,517 1.291,518 0.925,519 1.348,520 0.559,521 0.902,522 1.135,523 1.109,524 0.496,525 1.177,526 3,528 2.889,529 2.438,530 2.204,531 1.063,532 0.606,533 0.174,534 0.073,536 4738,537 11288,538 2.141,539 43.9,540 11,541 4,543 1,544 2,549 1.67,550 2,551 2.796,552 0.278,554 1,556 1,558 61.542,559 1.501,560 3.658,561 4.412,562 4.705,563 4.9,564 4.998,565 2.196,566 4.524,567 4.499,568 2.889,569 730.795,570 7.811,571 7888.9,572 1,573 1,575 1,576 219.66,577 1.422,578 4.454,579 0.115,581 0.076,582 0.055,583 0.05,584 0.025,585 0.019,586 0.009,587 0.01,589 0.361,590 0.33,591 1,592 0.58,593 102.538,594 -0.058,595 -0.09,596 0.049,597 0.014,598 -0.054,599 0.041,600 0.274,601 0.131,602 0.142,603 0.073,604 0.108,605 0.082,606 0.035,607 -0.202,608 0.142,609 -0.05,610 0.039,611 0.043,612 0.078,613 -0.005,614 0.013,615 -0.058,616 0.035,617 -0.036,618 -0.259,619 -0.034,620 -0.104,621 -0.021,622 -0.139,623 -0.034,624 -0.272,625 0.08,626 -0.379,627 -0.062,628 -0.181,629 -0.207,630 -0.154,631 -0.204,632 -0.355,633 -0.298,634 -0.141,635 -0.347,636 -0.006,637 -0.063,638 -0.104,639 -0.119,640 -0.027,641 -0.121,642 1.639,643 6.153,644 0.87,645 13.573,646 0.998,647 1.125,648 4.165,649 17.35,650 0.678,651 3.296,652 3.664,653 4.043,654 4.407,655 4.727,656 4.844,657 4.997,658 5.118,659 5.176,660 5.081,661 4.419,662 0.646,663 306.4,664 3.296,665 4.86,666 5.759,667 6.681,668 7.603,669 8.536,670 9.466,671 10.402,672 11.336,673 12.274,674 9.8,678 1,681 1,684 2,690 5,691 2,695 5,697 12,708 1,716 41,718 14,719 1,720 26,722 44,723 18,724 10,725 2,726 4,727 3,728 4,729 7,732 1,735 4,738 4,740 13,741 5,744 2,749 1,753 3,756 1,757 1,760 18,761 5,762 2,763 5,769 4,775 0.5,776 1,788 1,794 4,798 2,808 1,812 2,819 2,823 1,827 23,828 1,833 4,838 1,850 2.4,853 1,858 11.5,859 7.767,860 5,861 2.633,863 2.666,864 1.356,865 1.034,866 3.333,867 10.161,868 3.555,869 4.174,870 4.8,871 5.408,872 5.976,873 6.247,874 6.618,875 7.014,876 7.316,877 7.491,878 0.8,879 44,880 8.534,881 3.746,882 7.688,883 16.445,884 14.042,885 2.188,886 50.333,889 1,890 188.338,891 90.346,892 69.593,894 25.145,897 90.346,898 213.483,899 69.593,900 8.825,901 13.262,902 70.802,903 75.192,904 24.118,905 4.656,906 176.567,908 188.338,909 159.939,910 25.145,913 188.338,914 25.145,917 30.706,918 95.662,919 33.571,921 188.338,922 94.737,923 90.346,926 188.338,927 34.998,928 58.473,930 91.613,931 188.338,932 94.737,933 90.346,935 0.587,936 0.369,937 0.222,938 0.13,939 21,940 9,941 0.023,942 1,943 2,944 1.2,945 3.323,946 207.047,947 0.2,948 20,949 102.042,954 14.255,955 5.377,956 2.127,958 94.737,959 9.279,960 8.554,964 3.788,966 32.897,967 373.422,968 34,973 13.153,977 1.937,980 40.92,981 46.109,983 0.28,984 0.683,985 0.824,986 0.878,987 0.915,988 0.933,989 4.82,990 1.414,991 5.765,992 3.33,993 4.344,994 4.86,995 1.356,996 6.676,997 4.292,998 6.041,999 1.142,1000 7.382,1001 3,1002 4.007,1003 4.705,1004 0.325,1005 7.784,1006 3.931,1007 7.375,1008 1,1009 9.108,1010 2.658,1011 6.014,1012 7.067,1013 1.511,1014 10.99,1015 5.909,1016 8.748,1017 0.272,1018 10.9,1019 2.511,1020 6.538,1021 7.74,1022 0.653,1023 12.944,1024 6.407,1025 10.157,1026 -0.056,1027 12.733,1028 0.697,1029 8.022,1030 9.58,1031 1.739,1032 15.682,1033 7.863,1034 11.592,1035 -0.334,1036 14.593,1037 -0.138,1038 8.934,1039 10.637,1040 1.001,1041 17.97,1042 8.746,1043 13.047,1044 -0.569,1045 16.473,1046 -0.763,1047 10.228,1048 12.26,1049 1.993,1050 20.56,1051 10.012,1052 3.415,1053 -0.787,1054 18.368,1055 -1.389,1056 11.31,1057 13.507,1058 1.37,1059 22.986,1060 11.064,1061 2.881,1062 12.661,1063 20.274,1064 -1.927,1065 12.54,1066 15.032,1067 2.264,1068 25.53,1069 12.266,1070 2.606,1071 10.144,1072 22.188,1073 4.329,1074 13.696,1075 16.375,1076 1.754,1077 28.016,1078 13.391,1079 2.272,1080 8.781,1081 24.11,1082 3.809,1083 14.909,1084 17.858,1085 2.551,1086 30.549,1087 14.575,1088 1.793,1089 7.155,1090 26.038,1091 3.445,1092 16.099,1093 19.252,1094 2.143,1095 33.061,1096 15.734,1097 1.506,1098 5.112,1099 27.971,1100 2.839,1101 17.311,1102 20.715,1103 2.851,1104 35.592,1105 16.917,1106 1.434,1107 3.846,1108 29.909,1109 2.316,1110 18.516,1111 22.137,1112 2.535,1113 38.116,1114 18.092,1115 4542,1116 7131,1117 17.512,1118 27.807,1119 40.133,1120 40.973,1121 41.945,1122 39.541,1123 39.473,1124 50.902,1125 2.986,1126 119.788,1127 38.471,1128 5.697,1129 5.864,1130 6.88,1131 5.462,1132 5.415,1133 7.329,1134 2.293,1135 20.661,1136 5.318,1137 9.653,1138 1.544,1139 1.576,1140 1.613,1141 1.521,1142 1.518,1143 1.958,1144 0.115,1145 4.607,1146 1.48,1147 4.069,1148 4.103,1149 4.035,1150 3.967,1151 7.428,1152 3.977,1153 3.868,1154 3.902,1155 3.799,1156 3.808,1157 5.193,1158 3.801,1159 3.68,1160 3.744,1161 3.593,1162 3.516,1163 4.771,1164 3.529,1165 3.33,1166 3.372,1167 3.258,1168 3.112,1169 4.671,1170 3.14,1171 3.169,1172 3.257,1173 2.965,1174 3.022,1175 4.326,1176 2.998,1177 3.038,1178 3.125,1179 2.899,1180 2.871,1181 3.919,1182 2.857,1183 2.997,1184 3.106,1185 2.812,1186 2.787,1187 3.875,1188 2.787,1189 2.84,1190 2.922,1191 2.692,1192 2.614,1193 3.592,1194 2.627,1195 0.182,1196 0.149,1197 0.277,1198 0.169,1199 0.131,1200 4.721,1201 0.166,1202 3.864,1203 0.046,1204 7.195,1205 0.487,1206 4.386,1207 0.128,1208 3.415,1209 4.329,1210 1.2,1211 12.661,1212 3.318,1213 2.002,1214 1.973,1215 2.106,1216 2.124,1217 1.429,1218 2.115,1219 1.877,1220 1.847,1221 2.019,1222 1.967,1223 1.15,1224 1.986,1225 1.634,1226 1.577,1227 1.766,1228 1.832,1229 0.89,1230 1.824,1231 1.233,1232 1.191,1233 1.552,1234 1.482,1235 0.736,1236 1.47,1237 1.206,1238 1.127,1239 1.449,1240 1.418,1241 0.603,1242 1.452,1243 1.06,1244 0.976,1245 1.343,1246 1.287,1247 0.418,1248 1.331,1249 0.936,1250 0.864,1251 1.188,1252 1.258,1253 0.234,1254 1.246,1255 0.814,1256 0.719,1257 1.122,1258 1.05,1259 0.049,1260 1.079,1261 3.97,1263 5.323,1265 6.909,1267 8.607,1269 10.365,1271 1.998,1275 6.149,1277 3.775,1282 1.701,1289 26.488,1290 61.542,1291 149.996,1292 180.905,1293 192.905,1294 200.905,1295 204.905,1296 34.926,1297 7.494,1298 73.8,1299 73.8,1300 24,1301 12.772,1302 3.907,1303 3.17,1304 31.376,1305 61,1306 58,1307 0.265,1308 161.613,1309 280.39,1310 386.096,1311 16716,1313 15.974,1314 0.695,1315 0.567,1316 15.974,1317 13.042,1318 11.182,1319 0.43,1320 0.304,1321 7.833,1322 10.864,1323 7.635,1324 6.326,1325 11.182,1326 7.912,1327 10.124,1328 0.266,1329 0.159,1330 10.124,1331 6.049,1332 9.167,1333 0.164,1334 0.083,1335 9.167,1336 4.656,1337 8.289,1338 0.102,1339 0.044,1340 8.289,1341 3.535,1342 7.218,1343 0.064,1344 0.024,1345 7.218,1346 2.651,1347 0.384,1348 69.364,1349 0.239,1350 21.439,1351 0.835,1352 128,1353 333.983,1354 137.93,1355 330.534,1356 465.81,1357 310,1358 158,1359 358.636,1360 168.818,1361 365.175,1362 544.86,1363 345,1364 5.076}
{0 CHEMBL2152699,1 1.58,2 7.792,3 3.005,4 9.031,5 92.699,6 7.676,7 0.444,8 3.861,9 3.978,10 3.462,11 3.399,12 4.991,13 3.395,14 4.397,15 4.562,16 3.841,17 3.812,18 5.478,19 3.786,20 4.631,21 4.816,22 3.992,23 3.984,24 5.681,25 3.952,26 4.712,27 4.896,28 4.035,29 4.008,30 5.888,31 3.972,32 4.774,33 4.979,34 3.971,35 3.989,36 5.926,37 3.955,38 4.701,39 4.905,40 3.819,41 3.9,42 5.94,43 3.834,44 4.61,45 4.859,46 3.458,47 3.739,48 5.585,49 3.612,50 4.435,51 4.707,52 3.066,53 3.434,54 5.347,55 3.267,56 0.039,57 0.645,58 8.146,59 3.609,60 8.298,61 4.619,62 0.258,63 1.038,64 15.949,65 6.404,66 21.279,67 8.354,68 0.177,69 1.277,70 20.744,71 7.956,72 19.266,73 10.731,74 0.365,75 1.368,76 22.773,77 8.4,78 40.532,79 11.211,80 0.405,81 1.408,82 25.633,83 8.011,84 52.705,85 10.74,86 0.57,87 1.292,88 23.7,89 7.571,90 75.407,91 10.353,92 0.279,93 1.107,94 22.935,95 8,96 44.37,97 11.233,98 0.386,99 0.845,100 20.721,101 6.908,102 45.162,103 9.77,104 11,105 39,106 0.276,107 0.652,108 0.789,109 0.839,110 0.863,111 0.88,112 3.231,113 0.891,114 -4.89,115 -4.8,116 -4.5,118 42.9,120 4,123 1,133 2,138 4,139 1,140 2,143 2,144 1,153 1,158 1,159 1,160 1,167 9,170 3,171 9,172 1,173 1,175 1,178 11,180 1,182 8,186 1,188 6,190 1,191 3,192 15,194 2,195 2,197 2,199 5,201 2,204 8,208 2,211 6,213 2,214 3,215 8,217 1,218 1,220 3,223 8,225 3,228 3,233 1,235 6,237 1,239 1,240 3,242 1,243 1,245 1,247 3,249 1,252 1,260 1,264 734,265 16.56,266 16.56,267 16.56,268 16.56,269 16.56,270 14.768,271 23.208,272 9.64,273 16.965,274 13.26,275 13.26,276 13.26,277 13.26,278 13.26,279 10.413,280 33.293,281 4.451,282 13.81,283 3.812,284 1.659,285 0.875,286 0.589,287 0.447,288 0.351,289 3.929,292 1,293 1,294 1,295 409,296 2.345,300 186.604,304 145.153,307 1.076,308 25.216,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52,320 187,321 4.713,322 3.857,323 7.174,324 4.375,325 3.404,326 4.321,327 1.2,328 12.583,329 3.31,330 4.141,331 3.096,332 6.416,333 3.772,334 2.807,335 3.71,336 0.86,337 9.757,338 2.703,339 3.993,340 2.99,341 6.146,342 3.588,343 2.605,344 3.445,345 0.293,346 8.772,347 2.555,348 3.699,349 2.748,350 5.452,351 3.341,352 2.397,353 2.975,355 7.107,356 2.259,357 3.161,358 2.362,359 4.929,360 2.787,361 1.805,362 2.392,364 5.302,365 1.759,366 3.144,367 1.949,368 4.914,369 2.716,370 1.783,371 2.297,373 5.102,374 1.658,375 2.811,376 1.727,377 4.115,378 2.478,379 1.505,380 1.916,382 3.387,383 1.462,384 2.666,385 1.422,386 3.831,387 2.233,388 1.264,389 1.731,391 2.86,392 1.221,393 2.437,394 1.359,395 3.593,396 2.097,397 1.13,398 1.401,400 2.584,401 1.088,402 2.142,403 1.199,404 3.498,405 2.002,406 1,407 1.093,409 2.488,410 0.998,411 1.648,412 0.937,413 3.287,414 1.297,415 0.431,416 0.483,417 0.637,418 0.369,419 1.583,420 0.787,421 2.797,422 1.193,423 0.18,424 0.241,425 0.491,426 0.18,427 1.149,428 0.053,429 2.685,430 0.868,431 -0.077,432 -0.088,433 -0.189,434 -0.072,435 0.822,436 -0.306,437 2.391,438 0.422,439 -0.521,440 -0.635,441 -1.243,442 -0.488,443 0.605,444 -0.384,445 2.313,446 0.273,447 -0.706,448 -0.854,449 -1.555,450 -0.673,451 11.267,452 0.469,453 0.555,454 0.023,455 32.75,456 1.365,457 16.5,458 0.688,459 16.25,460 0.677,461 18.827,462 0.784,463 25.333,464 0.603,465 23.652,466 0.986,467 6.212,468 0.259,469 5.49,470 0.229,471 0.109,473 0.391,478 0.818,479 1.304,480 0.746,481 1.057,482 0.678,483 0.91,484 0.809,485 0.928,486 0.775,487 0.885,488 0.573,489 0.842,490 0.89,491 1.191,492 0.787,493 1.01,494 0.777,495 0.9,496 0.922,497 1.122,498 0.916,499 1.085,500 1.179,501 1.018,502 1.482,503 1.056,504 1.102,505 0.923,506 1.758,507 0.932,508 1.144,509 1.021,510 1.238,511 1.057,512 1.337,513 1.133,514 0.971,515 1.015,516 1.135,517 1.134,518 1.05,519 1.154,520 1.021,521 0.858,522 1.12,523 1.031,524 0.936,525 1.098,526 3.5,527 0.012,528 2.667,529 2.438,530 2.084,531 1.097,532 0.564,533 0.283,534 0.151,535 0.041,536 5415,537 14061,538 2.135,539 42.9,540 8,541 7,543 1,544 2,549 1.68,550 2,551 2.93,552 0.296,553 1,554 1,556 1,558 66.36,559 1.58,560 3.734,561 4.517,562 4.803,563 4.946,564 5.041,565 2.365,566 4.22,567 4.558,568 3.032,569 836.868,570 7.923,571 9277.33,572 1,573 1,575 1,576 226.477,577 1.406,578 4.518,579 0.13,580 0.012,581 0.068,582 0.054,583 0.046,584 0.026,585 0.017,586 0.012,587 0.011,588 0.007,589 0.384,590 0.33,591 1,592 0.757,593 109.482,594 -0.065,595 -0.139,596 0.053,597 -0.034,598 -0.051,599 0.022,600 0.101,601 0.154,602 0.111,603 0.119,604 0.079,605 0.108,606 -0.038,607 -0.151,608 0.12,609 -0.007,610 0.017,611 0.069,612 0.104,613 -0.072,614 0.012,615 -0.112,616 0.041,617 -0.08,618 -0.268,619 -0.013,620 -0.124,621 0.008,622 -0.222,623 -0.02,624 0.026,625 0.027,626 -0.271,627 -0.128,628 0.037,629 -0.222,630 -0.1,631 -0.086,632 -0.145,633 -0.151,634 -0.122,635 -0.15,636 0.038,637 -0.018,638 -0.062,639 -0.045,640 -0.043,641 -0.072,642 1.691,643 6.16,644 0.833,645 15.632,646 1.006,647 1.127,648 3.661,649 13.405,650 0.673,651 3.332,652 3.689,653 4.06,654 4.419,655 4.736,656 4.875,657 5.03,658 5.165,659 5.236,660 5.204,661 4.736,662 0.648,663 322.4,664 3.332,665 4.89,666 5.784,667 6.701,668 7.617,669 8.546,670 9.471,671 10.404,672 11.333,673 12.269,674 9.5,678 1,681 1,684 2,690 5,691 2,695 5,697 12,708 1,714 1,716 42,718 14,719 1,720 27,722 45,723 18,724 10,725 2,726 4,727 3,728 4,729 7,735 4,738 4,740 13,741 5,744 2,749 1,753 3,756 1,757 1,760 18,761 6,762 2,763 6,769 4,775 0.5,776 2,788 1,794 4,798 2,808 1,812 2,819 2,823 1,827 24,828 1,833 4,835 1,838 1,850 4.8,853 1,855 1,858 12,859 7.933,860 5.306,861 2.585,863 2.663,864 1.351,865 1.019,866 3.735,867 10.253,868 3.584,869 4.19,870 4.812,871 5.425,872 5.988,873 6.285,874 6.656,875 7.056,876 7.357,877 7.592,878 1,879 45,880 8.889,881 3.874,882 7.743,883 16.98,884 14.282,885 2.243,886 53.833,889 1,890 188.338,891 94.462,892 69.593,894 36.145,897 94.462,898 224.482,899 69.593,900 10.883,901 13.262,902 70.802,903 75.192,904 37.175,905 4.656,906 176.567,908 188.338,909 164.055,910 36.145,913 188.338,914 36.145,917 21.881,918 108.603,919 33.571,921 188.338,922 105.737,923 94.462,926 188.338,927 37.056,928 60.531,930 102.613,931 188.338,932 105.737,933 94.462,935 0.581,936 0.365,937 0.218,938 0.127,939 21,940 9,941 0.044,942 2,943 2,944 1.2,945 3.427,946 216.743,947 0.2,948 20,949 110.039,954 15.156,955 5.914,956 2.4,958 105.737,959 8.809,960 8.514,964 3.189,966 32.897,967 388.537,968 35,973 13.16,977 1.82,980 42.247,981 47.318,983 0.293,984 0.692,985 0.838,986 0.891,987 0.917,988 0.935,989 4.844,990 1.264,991 5.784,992 3.387,993 4.369,994 4.875,995 1.679,996 6.681,997 4.299,998 6.058,999 1.13,1000 7.391,1001 2.86,1002 4.007,1003 4.705,1004 0.325,1005 7.761,1006 3.907,1007 7.387,1008 1,1009 9.105,1010 2.584,1011 6.028,1012 7.071,1013 1.728,1014 10.955,1015 5.896,1016 8.754,1017 0.431,1018 10.884,1019 2.488,1020 6.524,1021 7.72,1022 0.653,1023 12.887,1024 6.363,1025 10.157,1026 0.18,1027 12.705,1028 0.637,1029 8.013,1030 9.564,1031 1.872,1032 15.618,1033 7.825,1034 11.585,1035 -0.077,1036 14.555,1037 0.491,1038 8.903,1039 10.599,1040 1.001,1041 17.895,1042 8.687,1043 13.033,1044 -0.521,1045 16.425,1046 -0.189,1047 10.196,1048 12.225,1049 2.071,1050 20.481,1051 9.956,1052 3.404,1053 -0.706,1054 18.312,1055 -1.243,1056 11.265,1057 13.456,1058 1.37,1059 22.902,1060 10.997,1061 2.807,1062 12.583,1063 20.211,1064 -1.555,1065 12.493,1066 14.983,1067 2.309,1068 25.443,1069 12.199,1070 2.605,1071 9.757,1072 22.12,1073 4.321,1074 13.642,1075 16.318,1076 1.754,1077 27.924,1078 13.321,1079 2.397,1080 8.772,1081 24.037,1082 3.71,1083 14.852,1084 17.801,1085 2.576,1086 30.454,1087 14.506,1088 1.805,1089 7.107,1090 25.962,1091 3.445,1092 16.038,1093 19.19,1094 2.143,1095 32.962,1096 15.664,1097 1.783,1098 5.302,1099 27.892,1100 2.975,1101 17.247,1102 20.655,1103 2.865,1104 35.489,1105 16.847,1106 1.505,1107 5.102,1108 29.827,1109 2.392,1110 18.45,1111 22.075,1112 2.535,1113 38.01,1114 18.022,1115 5210,1116 8516,1117 18.205,1118 28.262,1119 41.163,1120 42.574,1121 43.153,1122 40.644,1123 40.624,1124 52.011,1125 4.706,1126 122.138,1127 39.126,1128 5.689,1129 5.857,1130 6.853,1131 5.451,1132 5.404,1133 7.321,1134 2.293,1135 20.583,1136 5.31,1137 10.247,1138 1.525,1139 1.577,1140 1.598,1141 1.505,1142 1.505,1143 1.926,1144 0.174,1145 4.524,1146 1.449,1147 4.065,1148 4.098,1149 4.033,1150 3.959,1151 7.428,1152 3.971,1153 3.858,1154 3.885,1155 3.797,1156 3.783,1157 5.193,1158 3.781,1159 3.68,1160 3.743,1161 3.593,1162 3.516,1163 4.868,1164 3.529,1165 3.35,1166 3.392,1167 3.276,1168 3.118,1169 4.703,1170 3.148,1171 3.225,1172 3.289,1173 3.048,1174 2.963,1175 4.382,1176 2.971,1177 3.038,1178 3.125,1179 2.896,1180 2.871,1181 4.316,1182 2.856,1183 2.995,1184 3.105,1185 2.811,1186 2.786,1187 3.887,1188 2.785,1189 2.84,1190 2.922,1191 2.692,1192 2.632,1193 3.592,1194 2.631,1195 0.175,1196 0.143,1197 0.266,1198 0.162,1199 0.126,1200 4.713,1201 0.16,1202 3.857,1203 0.044,1204 7.174,1205 0.466,1206 4.375,1207 0.123,1208 3.404,1209 4.321,1210 1.2,1211 12.583,1212 3.31,1213 1.996,1214 1.968,1215 2.101,1216 2.122,1217 1.429,1218 2.111,1219 1.85,1220 1.824,1221 1.976,1222 1.954,1223 1.086,1224 1.963,1225 1.634,1226 1.577,1227 1.763,1228 1.832,1229 0.881,1230 1.823,1231 1.245,1232 1.201,1233 1.57,1234 1.536,1235 0.735,1236 1.538,1237 1.18,1238 1.111,1239 1.448,1240 1.45,1241 0.574,1242 1.439,1243 1.06,1244 0.976,1245 1.342,1246 1.286,1247 0.418,1248 1.331,1249 0.935,1250 0.863,1251 1.188,1252 1.257,1253 0.234,1254 1.246,1255 0.819,1256 0.734,1257 1.121,1258 1.05,1259 0.136,1260 1.079,1261 4.007,1263 5.352,1265 6.929,1267 8.617,1269 10.366,1271 1.604,1275 6.142,1277 3.679,1279 5.292,1282 1.625,1289 27.203,1290 66.36,1291 156.814,1292 189.722,1293 201.722,1294 207.722,1295 211.722,1296 37.351,1297 7.589,1298 83.03,1299 83.03,1300 24,1301 12.768,1302 3.907,1303 3.17,1304 33.432,1305 67,1306 78,1307 0.251,1308 165.609,1309 289.18,1310 395.847,1311 18933,1313 16.681,1314 0.695,1315 0.56,1316 16.681,1317 13.451,1318 11.703,1319 0.433,1320 0.297,1321 7.898,1322 11.226,1323 7.724,1324 6.391,1325 11.703,1326 8.018,1327 10.399,1328 0.267,1329 0.153,1330 10.399,1331 5.964,1332 9.44,1333 0.166,1334 0.081,1335 9.44,1336 4.611,1337 8.497,1338 0.104,1339 0.043,1340 8.497,1341 3.486,1342 7.306,1343 0.065,1344 0.023,1345 7.306,1346 2.618,1347 0.37,1348 73.606,1349 0.234,1350 22.412,1351 0.775,1352 132,1353 381.719,1354 144.808,1355 368.271,1356 513.11,1357 346,1358 162,1359 388.182,1360 175.31,1361 393.473,1362 584.05,1363 370,1364 5.156}
{0 CHEMBL2152702,1 1.613,2 8.385,3 1.953,4 3.815,5 99.148,6 7.662,7 0.414,8 3.952,9 4.064,10 3.547,11 3.453,12 5.093,13 3.459,14 4.497,15 4.659,16 3.967,17 3.86,18 5.605,19 3.862,20 4.721,21 4.862,22 4.097,23 4.071,24 5.83,25 4.055,26 4.909,27 5.118,28 4.135,29 4.14,30 6.042,31 4.084,32 4.906,33 5.125,34 4.095,35 4.108,36 5.993,37 4.068,38 4.819,39 4.997,40 4.084,41 4.017,42 6.141,43 3.983,44 4.841,45 5.079,46 3.662,47 3.846,48 5.945,49 3.767,50 4.556,51 4.815,52 3.282,53 3.572,54 5.514,55 3.427,56 0.062,57 0.693,58 9.08,59 4.007,60 10.601,61 5.076,62 0.35,63 1.097,64 18.313,65 6.913,66 29.013,67 8.819,68 0.345,69 1.371,70 22.141,71 8.4,72 27.245,73 10.521,74 0.61,75 1.575,76 29.457,77 10.566,78 58.709,79 14.654,80 0.458,81 1.556,82 29.941,83 9.665,84 56.107,85 13.478,86 0.644,87 1.441,88 25.832,89 8.597,90 75.604,91 11.815,92 0.706,93 1.327,94 30.111,95 7.904,96 87.151,97 10.904,98 0.572,99 0.931,100 23.371,101 7.6,102 53.638,103 10.733,104 27,105 44,106 0.276,107 0.657,108 0.804,109 0.842,110 0.842,111 0.842,112 3.306,113 0.865,114 -4.36,115 -4.3,116 -4.05,118 41.3,119 2,120 1,123 1,124 1,128 1,133 2,138 4,139 1,140 2,143 2,144 1,153 1,158 1,159 1,160 1,167 5,170 3,171 13,172 1,173 1,175 1,178 9,180 1,182 7,186 1,188 3,190 1,191 5,192 14,194 2,195 2,197 2,199 8,201 2,204 2,211 4,214 5,215 16,217 2,218 2,220 4,223 5,225 4,228 3,233 1,235 2,237 1,239 2,240 3,242 1,243 1,245 1,247 5,249 1,260 2,264 864,265 17.301,266 17.301,267 17.301,268 17.301,269 17.301,270 15.508,271 26.708,272 9.765,273 17.831,274 14.233,275 14.233,276 14.233,277 14.233,278 14.233,279 11.401,280 42.628,281 4.527,282 14.984,283 3.911,284 1.689,285 0.832,286 0.614,287 0.614,288 0.614,289 3.998,292 1,293 1,294 1,295 471,296 2.915,300 207.418,304 161.514,307 1.26,308 30.361,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 57,320 218,321 4.731,322 3.882,323 7.195,324 4.417,325 3.448,326 4.326,327 1.2,328 12.664,329 3.343,330 4.236,331 3.521,332 6.741,333 4.101,334 3.157,335 3.712,336 1.151,337 11.031,338 2.975,339 4.107,340 3.066,341 6.381,342 3.741,343 2.777,344 3.49,345 0.86,346 9.62,347 2.672,348 3.925,349 2.947,350 6.112,351 3.542,352 2.559,353 3.141,354 0.293,355 8.672,356 2.511,357 3.657,358 2.688,359 5.448,360 3.292,361 2.351,362 2.902,364 7.09,365 2.205,366 3.157,367 2.3,368 4.929,369 2.723,370 1.784,371 2.391,373 5.294,374 1.683,375 3.118,376 1.964,377 4.903,378 2.707,379 1.745,380 2.267,382 5.042,383 1.654,384 2.781,385 1.924,386 4.191,387 2.281,388 1.342,389 1.875,391 3.299,392 1.254,393 2.651,394 1.362,395 3.86,396 2.154,397 1.167,398 1.699,400 2.679,401 1.147,402 2.199,403 1.267,404 3.555,405 1.987,406 1.066,407 1.162,409 2.598,410 0.971,411 1.65,412 0.938,413 3.411,414 1.3,415 0.432,416 0.484,417 0.767,418 0.371,419 1.583,420 0.858,421 3.146,422 1.234,423 0.252,424 0.312,425 0.606,426 0.245,427 1.225,428 0.514,429 2.855,430 0.939,435 0.986,436 0.049,437 2.696,438 0.729,439 -0.23,440 -0.271,441 -0.582,442 -0.219,443 0.801,444 -0.369,445 2.513,446 0.377,447 -0.563,448 -0.718,449 -1.367,450 -0.528,451 12.1,452 0.465,453 0.848,454 0.033,455 34.25,456 1.317,457 16.5,458 0.635,459 17.75,460 0.683,461 22.74,462 0.875,463 28.1,464 0.611,465 26.649,466 1.025,467 6.654,468 0.256,469 5.756,470 0.221,471 0.185,472 0.041,473 0.364,478 0.845,479 1.372,480 0.748,481 1.138,482 0.757,483 0.952,484 1.016,485 0.877,486 0.7,487 0.795,488 0.639,489 0.711,490 1.332,491 1.285,492 1.062,493 1.12,494 0.995,495 1.059,496 0.644,497 1.016,498 0.828,499 1.015,500 0.939,501 0.971,502 1.064,503 1.025,504 0.902,505 0.903,506 1.351,507 0.861,508 0.872,509 1.311,510 1.056,511 1.257,512 1.042,513 1.199,514 1.702,515 0.84,516 1.432,517 0.901,518 1.987,519 1.055,520 0.923,521 0.825,522 1.081,523 0.976,524 0.894,525 1.059,526 6,527 0.07,528 3.333,529 2.813,530 2.627,531 1.653,532 0.807,533 0.464,534 0.242,535 0.141,536 6557,537 17719,538 2.069,539 43.5,541 9,543 1,544 2,546 8,549 1.701,550 1.891,551 3.005,552 0.289,553 1,554 1,558 74.18,559 1.613,560 3.834,561 4.692,562 4.909,563 4.909,564 4.909,565 2.512,566 3.979,567 4.671,568 3.145,569 1021.99,570 8.151,571 11892.4,573 1,575 1,576 254.084,577 1.693,578 4.603,579 0.207,580 0.014,581 0.076,582 0.057,583 0.054,584 0.034,585 0.018,586 0.017,587 0.013,588 0.014,589 0.505,590 0.33,591 1,592 0.819,593 122.209,594 -0.066,595 -0.181,596 0.058,597 -0.078,598 -0.11,599 0.003,600 0.03,601 0.206,602 0.216,603 0.218,604 0.08,605 0.241,606 -0.236,607 -0.194,608 -0.168,609 -0.101,610 -0.135,611 -0.122,612 0.222,614 0.117,615 -0.021,616 0.147,617 0.014,618 -0.122,619 -0.003,620 0.065,621 0.061,622 -0.122,623 0.102,624 0.218,625 -0.238,626 -0.113,627 -0.302,628 0.263,629 -0.28,630 -0.405,631 0.152,632 -0.387,633 -0.019,634 -0.419,635 -0.155,636 0.106,637 0.031,638 -0.041,639 0.005,640 -0.007,641 -0.042,642 1.825,643 6.291,644 0.769,645 18.864,646 1.01,647 1.129,648 3.135,649 9.825,650 0.663,651 3.401,652 3.807,653 4.127,654 4.489,655 4.836,656 5.03,657 5.153,658 5.352,659 5.412,660 5.438,661 5.036,662 0.64,663 352.43,664 3.401,665 4.99,666 5.878,667 6.812,668 7.725,669 8.668,670 9.591,671 10.537,672 11.466,673 12.414,674 8.7,678 1,681 1,684 2,690 5,691 2,695 5,697 12,708 1,714 1,716 46,718 14,719 1,720 29,722 49,723 19,724 10,725 2,726 4,727 3,728 4,729 7,732 2,735 1,736 1,738 1,740 13,741 6,742 1,744 2,749 1,753 3,756 1,757 1,760 20,761 7,762 2,763 7,769 4,775 0.5,776 3,788 1,794 4,798 2,808 1,812 2,818 1,819 2,823 3,827 26,828 1,833 2,835 2,838 1,839 1,850 6.5,853 1,854 1,855 1,858 13.75,859 9.35,860 5.556,861 2.585,863 2.635,864 1.34,865 0.98,866 3.976,867 10.394,868 3.638,869 4.263,870 4.844,871 5.46,872 6.037,873 6.365,874 6.71,875 7.142,876 7.445,877 7.707,878 0.833,879 49,880 9.635,881 4.213,882 7.792,883 18.19,884 15.192,885 2.292,886 59.583,890 211.88,891 109.101,892 69.593,894 47.145,897 109.101,898 259.025,899 69.593,900 28.533,901 10.251,902 70.802,903 86.192,904 37.175,905 4.656,906 200.109,908 211.88,909 178.694,910 47.145,913 117.711,914 130.314,915 11,917 36.52,918 108.603,919 33.571,921 211.88,922 116.737,923 109.101,926 211.88,927 34.044,928 78.181,930 113.613,931 211.88,932 116.737,933 109.101,935 0.599,936 0.356,937 0.202,938 0.124,939 24,940 11,941 0.041,942 2,943 2,944 1.2,945 3.508,946 244.049,947 0.2,948 20,949 120.211,954 17.009,955 6.078,956 2.79,958 116.737,959 8.658,960 8.528,964 2.874,966 32.897,967 437.718,968 37,973 13.291,977 1.314,980 46.458,981 51.943,983 0.292,984 0.694,985 0.849,986 0.889,987 0.889,988 0.889,989 4.934,990 1.342,991 5.932,992 5.042,993 4.489,994 4.949,995 2.08,996 6.862,997 4.398,998 6.181,999 1.167,1000 7.569,1001 3.299,1002 4.369,1003 4.902,1004 0.325,1005 8.118,1006 4.251,1007 7.534,1008 1.066,1009 9.311,1010 2.679,1011 6.24,1012 7.151,1013 2.212,1014 11.206,1015 6.071,1016 8.919,1017 0.432,1018 11.113,1019 2.598,1020 6.889,1021 7.845,1022 0.653,1023 13.212,1024 6.688,1025 10.332,1026 0.252,1027 12.952,1028 0.767,1029 8.306,1030 9.635,1031 2.411,1032 15.895,1033 8.064,1034 11.766,1036 14.815,1037 0.606,1038 9.275,1039 10.681,1040 1.001,1041 18.193,1042 8.999,1043 13.216,1044 -0.23,1045 16.695,1047 10.541,1048 12.281,1049 2.645,1050 20.752,1051 10.228,1052 3.448,1053 -0.563,1054 18.588,1055 -0.582,1056 11.647,1057 13.512,1058 1.37,1059 23.172,1060 11.299,1061 3.157,1062 12.664,1063 20.491,1064 -1.367,1065 12.866,1066 15.027,1067 2.902,1068 25.695,1069 12.484,1070 2.777,1071 11.031,1072 22.402,1073 4.326,1074 14.03,1075 16.359,1076 1.754,1077 28.169,1078 13.615,1079 2.559,1080 9.62,1081 24.319,1082 3.712,1083 15.238,1084 17.836,1085 3.175,1086 30.685,1087 14.791,1088 2.351,1089 8.672,1090 26.242,1091 3.49,1092 16.43,1093 19.224,1094 2.143,1095 33.185,1096 15.951,1097 1.784,1098 7.09,1099 28.17,1100 3.141,1101 17.639,1102 20.685,1103 3.461,1104 35.703,1105 17.129,1106 1.745,1107 5.294,1108 30.102,1109 2.902,1110 18.845,1111 22.104,1112 2.535,1113 38.216,1114 18.304,1115 6380,1116 10614,1117 18.898,1118 30.478,1119 44.969,1120 46.572,1121 46.917,1122 44.118,1123 44.16,1124 55.526,1125 7.007,1126 138.726,1127 42.06,1128 5.707,1129 5.882,1130 6.784,1131 5.503,1132 5.448,1133 7.326,1134 2.351,1135 20.664,1136 5.343,1137 14.054,1138 1.551,1139 1.606,1140 1.618,1141 1.521,1142 1.523,1143 1.915,1144 0.242,1145 4.784,1146 1.45,1147 4.066,1148 4.095,1149 4.036,1150 3.949,1151 7.428,1152 3.966,1153 3.86,1154 3.884,1155 3.8,1156 3.778,1157 5.194,1158 3.779,1159 3.704,1160 3.755,1161 3.628,1162 3.525,1163 4.869,1164 3.542,1165 3.435,1166 3.48,1167 3.36,1168 3.255,1169 4.719,1170 3.27,1171 3.252,1172 3.317,1173 3.086,1174 2.982,1175 4.653,1176 2.998,1177 3.092,1178 3.174,1179 2.962,1180 2.869,1181 4.375,1182 2.882,1183 2.946,1184 3.031,1185 2.79,1186 2.719,1187 4.023,1188 2.722,1189 2.887,1190 3.009,1191 2.715,1192 2.628,1193 3.84,1194 2.615,1195 0.163,1196 0.134,1197 0.248,1198 0.152,1199 0.119,1200 4.731,1201 0.149,1202 3.882,1203 0.041,1204 7.195,1205 0.437,1206 4.417,1207 0.115,1208 3.448,1209 4.326,1210 1.2,1211 12.664,1212 3.343,1213 1.981,1214 1.957,1215 2.063,1216 2.118,1217 1.324,1218 2.099,1219 1.844,1220 1.821,1221 1.97,1222 1.957,1223 1.083,1224 1.961,1225 1.643,1226 1.593,1227 1.799,1228 1.849,1229 0.93,1230 1.837,1231 1.374,1232 1.325,1233 1.571,1234 1.591,1235 0.661,1236 1.585,1237 1.199,1238 1.128,1239 1.563,1240 1.505,1241 0.574,1242 1.527,1243 1.021,1244 0.957,1245 1.417,1246 1.317,1247 0.481,1248 1.308,1249 0.934,1250 0.835,1251 1.285,1252 1.239,1253 0.469,1254 1.301,1255 0.912,1256 0.804,1257 1.22,1258 1.195,1259 0.237,1260 1.212,1261 4.078,1263 5.46,1265 7.054,1267 8.749,1269 10.503,1271 5.577,1275 6.19,1277 0.806,1279 11.172,1282 1.552,1283 -0.378,1289 29.444,1290 74.18,1291 176.368,1292 215.819,1293 225.819,1294 225.819,1295 225.819,1296 46.447,1297 7.759,1298 92.26,1299 92.26,1300 24,1301 12.908,1302 3.907,1303 3.17,1304 37.588,1305 79,1306 88,1307 0.246,1308 179.198,1309 315.27,1310 429.003,1311 22673,1313 18.474,1314 0.711,1315 0.575,1316 18.474,1317 14.945,1318 12.41,1319 0.428,1320 0.288,1321 8.211,1322 11.799,1323 7.903,1324 6.567,1325 12.41,1326 8.364,1327 12.022,1328 0.273,1329 0.159,1330 12.022,1331 6.982,1332 10.057,1333 0.165,1334 0.077,1335 10.057,1336 4.717,1337 8.915,1338 0.101,1339 0.039,1340 8.915,1341 3.437,1342 7.756,1343 0.062,1344 0.021,1345 7.756,1346 2.606,1347 0.364,1348 78.702,1349 0.23,1350 24.017,1351 0.754,1352 146,1353 439.454,1354 163.016,1355 417.874,1356 577.39,1357 392,1358 178,1359 433.636,1360 194.964,1361 439.585,1362 649.61,1363 410,1364 4.845}
{0 CHEMBL2152704,1 1.58,2 7.083,3 3.24,4 10.5,5 92.971,6 7.676,7 0.444,8 3.861,9 3.978,10 3.452,11 3.41,12 5.013,13 3.402,14 4.386,15 4.552,16 3.859,17 3.839,18 5.495,19 3.808,20 4.659,21 4.841,22 4.017,23 4.017,24 5.749,25 3.981,26 4.765,27 4.96,28 4.056,29 4.039,30 5.932,31 4.001,32 4.799,33 5,34 4.036,35 4.027,36 5.994,37 4,38 4.769,39 4.959,40 3.877,41 3.959,42 6.122,43 3.9,44 4.666,45 4.908,46 3.476,47 3.81,48 5.674,49 3.669,50 4.522,51 4.814,52 2.955,53 3.467,54 5.487,55 3.252,56 0.058,57 0.647,58 8.211,59 3.613,60 11.994,61 4.61,62 0.197,63 1.054,64 15.326,65 6.51,66 19.88,67 8.671,68 0.166,69 1.319,70 21.134,71 8.254,72 27.638,73 11.121,74 0.407,75 1.433,76 24.505,77 8.71,78 46.51,79 11.77,80 0.372,81 1.448,82 26.002,83 8.314,84 54.737,85 11.143,86 0.682,87 1.355,88 25.544,89 8.007,90 114.254,91 10.449,92 0.28,93 1.183,94 23.845,95 8.598,96 49.789,97 12.007,98 0.369,99 0.928,100 22.782,101 7.554,102 60.504,103 11.109,104 17,105 40,106 0.276,107 0.68,108 0.802,109 0.839,110 0.863,111 0.88,112 3.231,113 0.894,114 -4.89,115 -4.8,116 -4.5,118 42.9,119 1,120 4,133 2,138 3,139 2,140 2,143 2,144 1,153 1,158 1,159 1,160 1,167 10,170 3,171 7,172 1,173 1,175 3,178 12,180 1,182 8,186 2,188 8,190 1,191 2,192 14,194 2,195 3,197 3,199 5,201 2,204 10,208 3,211 8,213 2,214 1,215 6,217 1,218 3,220 5,223 10,225 3,228 2,233 4,235 8,237 2,240 1,243 1,244 1,245 3,246 1,247 4,249 1,257 1,260 1,264 714,265 16.19,266 16.19,267 16.19,268 16.19,269 16.19,270 14.292,271 21.645,272 9.314,273 16.453,274 13.3,275 13.3,276 13.3,277 13.3,278 13.3,279 10.377,280 29.301,281 4.381,282 13.736,283 3.812,284 1.495,285 0.798,286 0.589,287 0.447,288 0.351,289 3.926,292 1,293 1,294 1,295 371,296 2.236,300 184.064,304 142.552,307 1.014,308 29.329,309 1,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52,320 170,321 4.723,322 3.865,323 7.196,324 4.388,325 3.418,326 4.332,327 1.2,328 12.668,329 3.32,330 4.27,331 3.104,332 6.539,333 3.891,334 2.914,335 3.897,336 0.293,337 10.194,338 2.845,339 3.994,340 3.074,341 6.155,342 3.593,343 2.608,344 3.447,346 8.782,347 2.562,348 3.67,349 2.662,350 5.694,351 3.32,352 2.361,353 2.95,355 7.347,356 2.26,357 3.372,358 2.389,359 4.918,360 2.989,361 2.025,362 2.644,364 5.607,365 1.943,366 3.144,367 2.172,368 4.916,369 2.75,370 1.793,371 2.314,373 5.112,374 1.708,375 2.863,376 1.737,377 4.411,378 2.479,379 1.506,380 2.007,382 3.895,383 1.466,384 2.749,385 1.585,386 4.037,387 2.404,388 1.434,389 1.817,391 3.333,392 1.385,393 2.438,394 1.422,395 3.792,396 2.102,397 1.142,398 1.402,400 2.699,401 1.092,402 2.143,403 1.206,404 3.589,405 2.002,406 1,407 1.095,409 2.524,410 0.998,411 1.745,412 0.823,413 3.312,414 1.329,415 0.327,416 0.423,417 0.811,418 0.324,419 1.289,420 0.461,421 2.815,422 0.974,427 1.131,428 0.048,429 2.53,430 0.821,431 -0.117,432 -0.138,433 -0.283,434 -0.109,435 0.788,436 -0.293,437 2.366,438 0.412,439 -0.532,440 -0.639,441 -1.307,442 -0.498,443 0.519,444 -0.403,445 2.347,446 0.244,447 -0.745,448 -0.876,449 -1.916,450 -0.728,451 11.267,452 0.469,453 0.683,454 0.028,455 32.5,456 1.354,457 16.5,458 0.688,459 16,460 0.667,461 19.825,462 0.826,463 25.333,464 0.603,465 23.726,466 0.989,467 6.024,468 0.251,469 5.551,470 0.231,471 0.139,473 0.435,478 0.864,479 1.229,480 0.774,481 0.97,482 0.784,483 0.871,484 0.502,485 0.971,486 0.696,487 0.94,488 0.476,489 0.867,490 0.86,491 1.25,492 0.808,493 1.07,494 0.79,495 0.954,496 0.94,497 1.055,498 0.916,499 1.017,500 1.015,501 0.971,502 1.406,503 1.072,504 1.037,505 0.947,506 1.385,507 0.918,508 1.521,509 0.981,510 1.36,511 1.021,512 1.597,513 1.138,514 0.942,515 1.112,516 1.223,517 1.246,518 0.972,519 1.277,520 0.762,521 0.945,522 1.153,523 1.155,524 0.736,525 1.214,526 4,528 3.111,529 2.5,530 2.396,531 1.174,532 0.708,533 0.318,534 0.114,535 0.016,536 5251,537 13829,538 2.11,539 42.9,540 11,541 3,543 1,544 3,549 1.681,550 1.946,551 2.832,552 0.998,553 1,554 1,556 1,558 66.36,559 1.58,560 3.897,561 4.594,562 4.803,563 4.946,564 5.041,565 2.24,566 3.939,567 4.561,568 2.939,569 811.18,570 7.934,571 9021.15,572 1,573 1,575 1,576 226.477,577 1.483,578 4.504,579 0.148,581 0.078,582 0.054,583 0.052,584 0.026,585 0.02,586 0.014,587 0.01,588 0.008,589 0.41,590 0.33,591 1,592 0.622,593 108.817,594 -0.112,595 -0.062,596 0.025,597 0.055,598 -0.1,599 0.062,600 0.191,601 0.129,602 0.159,603 0.077,604 0.109,605 0.1,606 -0.03,607 -0.21,608 0.091,609 -0.064,610 -0.01,611 0.017,612 0.081,613 -0.008,614 0.026,615 -0.054,616 0.005,617 -0.033,618 -0.221,619 -0.028,620 -0.066,621 -0.01,622 -0.122,623 -0.002,624 -0.112,625 0.056,626 -0.376,627 -0.095,628 -0.037,629 -0.247,630 -0.114,631 -0.178,632 -0.251,633 -0.255,634 -0.112,635 -0.272,636 0.092,637 -0.102,638 -0.101,639 -0.177,640 0.052,641 -0.174,642 1.746,643 6.183,644 0.833,645 14.771,646 1.006,647 1.127,648 3.661,649 13.405,650 0.673,651 3.332,652 3.714,653 4.078,654 4.443,655 4.779,656 4.898,657 5.043,658 5.187,659 5.252,660 5.193,661 4.565,662 0.648,663 322.4,664 3.332,665 4.905,666 5.802,667 6.727,668 7.649,669 8.583,670 9.513,671 10.45,672 11.384,673 12.323,674 9.5,678 1,681 1,684 2,690 4,691 2,695 6,697 12,708 1,713 1,716 42,718 14,719 1,720 27,722 45,723 18,724 10,725 3,726 3,727 3,728 4,729 7,732 1,735 4,738 4,740 13,741 5,744 2,749 1,753 3,756 1,757 1,760 18,761 6,762 3,763 6,769 4,775 0.5,776 2,788 1,794 4,798 2,808 1,812 2,819 2,823 1,827 24,828 1,832 1,833 4,838 1,850 4.8,852 1,853 1,858 12.333,859 7.883,860 5.167,861 2.628,863 2.691,864 1.355,865 1.003,866 3.539,867 10.28,868 3.584,869 4.22,870 4.836,871 5.448,872 6.029,873 6.311,874 6.658,875 7.077,876 7.384,877 7.595,878 0.8,879 46,880 8.913,881 3.958,882 7.833,883 16.921,884 14.454,885 2.333,886 56,889 1,890 176.567,891 80.87,892 69.593,894 67.828,897 80.87,898 244.395,899 69.593,900 8.825,901 13.262,902 61.326,903 117.875,904 24.118,905 4.656,906 164.795,908 176.567,909 150.463,910 67.828,913 176.567,914 67.828,917 30.706,918 86.185,919 33.571,921 176.567,922 137.421,923 80.87,926 176.567,927 34.998,928 48.997,930 134.297,931 176.567,932 137.421,933 80.87,935 0.593,936 0.367,937 0.217,938 0.133,939 22,940 10,941 0.022,942 1,943 2,944 1.2,945 3.371,946 219.879,947 0.2,948 20,949 110.039,954 15.156,955 5.603,956 2.314,958 137.421,959 6.353,960 8.47,964 3.261,966 75.581,967 394.858,968 35,973 13.183,977 1.69,980 42.247,981 47.318,983 0.293,984 0.723,985 0.852,986 0.891,987 0.917,988 0.935,989 4.86,990 1.434,991 5.82,992 3.895,993 4.394,994 4.905,995 1.356,996 6.73,997 4.335,998 6.092,999 1.142,1000 7.439,1001 3.333,1002 4.111,1003 4.82,1004 0.325,1005 7.828,1006 4.021,1007 7.433,1008 1,1009 9.163,1010 2.699,1011 6.071,1012 7.126,1013 1.511,1014 11.024,1015 5.956,1016 8.809,1017 0.327,1018 10.949,1019 2.524,1020 6.608,1021 7.831,1022 0.653,1023 12.963,1024 6.466,1025 10.219,1027 12.775,1028 0.811,1029 8.071,1030 9.643,1031 1.739,1032 15.701,1033 7.904,1034 11.653,1035 -0.117,1036 14.629,1038 8.983,1039 10.714,1040 1.001,1041 17.982,1042 8.787,1043 13.105,1044 -0.532,1045 16.503,1046 -0.283,1047 10.267,1048 12.323,1049 1.993,1050 20.572,1051 10.045,1052 3.418,1053 -0.745,1054 18.392,1055 -1.307,1056 11.347,1057 13.576,1058 1.37,1059 22.997,1060 11.096,1061 2.914,1062 12.668,1063 20.294,1064 -1.916,1065 12.573,1066 15.095,1067 2.264,1068 25.541,1069 12.293,1070 2.608,1071 10.194,1072 22.205,1073 4.332,1074 13.727,1075 16.441,1076 1.754,1077 28.026,1078 13.418,1079 2.361,1080 8.782,1081 24.125,1082 3.897,1083 14.938,1084 17.92,1085 2.551,1086 30.559,1087 14.6,1088 2.025,1089 7.347,1090 26.051,1091 3.447,1092 16.126,1093 19.315,1094 2.143,1095 33.071,1096 15.757,1097 1.793,1098 5.607,1099 27.983,1100 2.95,1101 17.336,1102 20.777,1103 2.851,1104 35.602,1105 16.938,1106 1.506,1107 5.112,1108 29.919,1109 2.644,1110 18.541,1111 22.199,1112 2.535,1113 38.126,1114 18.113,1115 5063,1116 8333,1117 17.918,1118 28.262,1119 41.701,1120 42.865,1121 43.933,1122 41.153,1123 41.055,1124 52.655,1125 2.986,1126 125.944,1127 39.806,1128 5.699,1129 5.865,1130 6.875,1131 5.464,1132 5.418,1133 7.332,1134 2.293,1135 20.668,1136 5.32,1137 11.633,1138 1.544,1139 1.588,1140 1.627,1141 1.524,1142 1.521,1143 1.95,1144 0.111,1145 4.665,1146 1.474,1147 4.07,1148 4.103,1149 4.038,1150 3.966,1151 7.428,1152 3.978,1153 3.874,1154 3.902,1155 3.815,1156 3.806,1157 6.471,1158 3.803,1159 3.68,1160 3.744,1161 3.593,1162 3.516,1163 5.192,1164 3.529,1165 3.333,1166 3.373,1167 3.265,1168 3.113,1169 4.73,1170 3.142,1171 3.199,1172 3.268,1173 3.034,1174 3.025,1175 4.589,1176 3.015,1177 3.038,1178 3.125,1179 2.899,1180 2.871,1181 4.323,1182 2.857,1183 2.997,1184 3.106,1185 2.812,1186 2.787,1187 3.89,1188 2.787,1189 2.84,1190 2.922,1191 2.692,1192 2.614,1193 3.751,1194 2.627,1195 0.175,1196 0.143,1197 0.267,1198 0.163,1199 0.127,1200 4.723,1201 0.16,1202 3.865,1203 0.044,1204 7.196,1205 0.469,1206 4.388,1207 0.123,1208 3.418,1209 4.332,1210 1.2,1211 12.668,1212 3.32,1213 2,1214 1.973,1215 2.103,1216 2.124,1217 1.429,1218 2.113,1219 1.871,1220 1.845,1221 2.001,1222 1.967,1223 1.144,1224 1.98,1225 1.634,1226 1.577,1227 1.765,1228 1.832,1229 0.889,1230 1.824,1231 1.232,1232 1.192,1233 1.527,1234 1.483,1235 0.736,1236 1.468,1237 1.2,1238 1.131,1239 1.448,1240 1.434,1241 0.577,1242 1.451,1243 1.06,1244 0.976,1245 1.343,1246 1.287,1247 0.418,1248 1.331,1249 0.936,1250 0.864,1251 1.188,1252 1.258,1253 0.233,1254 1.246,1255 0.814,1256 0.72,1257 1.119,1258 1.05,1259 0.004,1260 1.079,1261 4.007,1263 5.371,1265 6.957,1267 8.654,1269 10.411,1271 1.9,1275 6.129,1276 9.882,1277 3.57,1282 1.562,1289 27.203,1290 66.36,1291 163.669,1292 192.968,1293 201.722,1294 207.722,1295 211.722,1296 42.395,1297 7.59,1298 94.03,1299 94.03,1300 24,1301 12.82,1302 3.907,1303 3.17,1304 33.363,1305 65,1306 62,1307 0.26,1308 165.609,1309 289.18,1310 395.847,1311 18765,1313 16.845,1314 0.702,1315 0.559,1316 16.845,1317 13.412,1318 11.575,1319 0.429,1320 0.298,1321 7.953,1322 11.186,1323 7.761,1324 6.416,1325 11.575,1326 8.046,1327 10.757,1328 0.269,1329 0.156,1330 10.757,1331 6.233,1332 9.509,1333 0.164,1334 0.082,1335 9.509,1336 4.733,1337 8.485,1338 0.101,1339 0.042,1340 8.485,1341 3.559,1342 7.627,1343 0.065,1344 0.023,1345 7.627,1346 2.729,1347 0.38,1348 72.304,1349 0.236,1350 22.251,1351 0.817,1352 134,1353 374.133,1354 146.034,1355 366.946,1356 509.5,1357 342,1358 165,1359 387.667,1360 177.48,1361 393.488,1362 585.26,1363 371,1364 6.523}
{0 CHEMBL2205766,1 1.793,2 9.417,3 1.184,4 1.403,5 92.917,6 8.249,7 0.615,8 3.858,9 3.978,10 3.672,11 3.388,12 4.983,13 3.358,14 4.382,15 4.55,16 3.996,17 3.772,18 5.757,19 3.74,20 4.599,21 4.773,22 4.011,23 3.941,24 5.784,25 3.851,26 4.786,27 5.035,28 3.935,29 3.915,30 5.974,31 3.802,32 4.555,33 4.732,34 3.755,35 3.73,36 5.891,37 3.678,38 4.409,39 4.605,40 3.674,41 3.679,42 5.595,43 3.583,44 4.465,45 4.727,46 3.582,47 3.534,48 5.574,49 3.452,50 4.14,51 4.331,52 3.453,53 3.376,54 5.438,55 3.285,56 0.14,57 0.713,58 10.59,59 3.7,60 19.014,61 4.451,62 0.428,63 1.085,64 17.255,65 6.268,66 61.24,67 7.902,68 0.369,69 1.284,70 22.996,71 7.869,72 40.246,73 9.497,74 0.631,75 1.264,76 39.369,77 11.063,78 83.669,79 13.55,80 0.599,81 1.031,82 22.412,83 6.971,84 104.184,85 8.052,86 0.288,87 1.007,88 18.874,89 6.69,90 31.617,91 8.488,92 0.458,93 0.933,94 23.478,95 5.923,96 58.252,97 8.491,98 0.408,99 0.745,100 13.471,101 4.631,102 39.779,103 6.219,104 40,105 40,106 0.312,107 0.663,108 0.755,109 0.783,110 0.783,111 0.783,112 3.229,113 1.008,114 -2.85,115 -2.86,116 -2.77,118 35.7,119 3,128 1,138 3,139 2,140 1,141 2,146 1,147 1,156 1,158 1,159 1,160 1,161 1,167 4,170 3,171 4,172 2,173 4,175 3,178 7,182 8,183 1,184 1,186 1,188 2,191 2,192 14,195 1,197 2,201 1,204 5,208 3,211 3,213 2,214 2,215 8,220 3,223 3,225 1,227 1,233 1,235 3,237 1,239 4,242 1,243 3,247 6,251 2,255 1,264 762,265 15.091,266 15.091,267 15.091,268 15.091,269 15.091,270 13.005,271 10.781,272 8.506,273 15.533,274 12.875,275 12.875,276 12.875,277 12.875,278 12.875,279 9.617,280 11.314,281 4.082,282 13.604,283 3.599,284 1.579,285 1.049,286 0.888,287 0.888,288 0.888,289 3.898,293 1,294 1,295 475,296 4,299 56.166,300 138.836,303 96.253,307 1.5,308 31.51,311 1,312 1,313 1,314 0.8,316 1,317 1,318 0.83,319 53,320 226,321 4.877,322 4.691,323 7.356,324 4.395,325 3.464,326 4.714,328 12.767,329 3.217,330 4.503,331 3.18,332 6.362,333 4.01,334 3.05,335 4.444,337 9.806,338 2.941,339 4.119,340 3.052,341 6.312,342 3.904,343 2.951,344 3.69,346 9.639,347 2.786,348 3.991,349 2.716,350 6.032,351 3.652,352 2.683,353 3.054,355 8.715,356 2.58,357 3.454,358 2.077,359 4.899,360 2.942,361 2,362 2.851,364 5.546,365 1.891,366 3.21,367 1.799,368 4.784,369 2.711,370 1.765,371 2.488,373 5.094,374 1.66,375 3.013,376 1.521,377 4.452,378 2.475,379 1.518,380 2.262,382 4.343,383 1.45,384 2.733,385 1.329,386 4.222,387 2.215,388 1.236,389 1.825,391 3.528,392 1.206,393 2.579,394 1.101,395 3.498,396 2.024,397 1.083,398 1.614,400 2.497,401 1.016,402 1.903,403 0.412,404 3.278,405 1.378,406 0.41,407 0.61,409 1.08,410 0.396,411 1,412 0.206,413 3.161,414 0.638,415 -0.324,416 -0.358,417 -1.098,418 -0.308,419 0.963,420 -0.28,421 2.687,422 0.523,423 -0.435,424 -0.574,425 -1.201,426 -0.415,427 0.861,428 -0.348,429 2.593,430 0.277,431 -0.652,432 -0.851,433 -1.628,434 -0.6,435 0.756,436 -0.604,437 2.209,438 0.161,439 -0.782,440 -1,441 -2.208,442 -0.725,443 0.657,444 -0.946,445 2,447 -1,448 -1,449 -2.705,450 -0.931,451 11.4,452 0.475,453 1.033,454 0.043,455 33.25,456 1.385,457 17.5,458 0.729,459 15.75,460 0.656,461 18.777,462 0.782,463 26.4,464 0.629,465 24.816,466 1.034,467 6.124,468 0.255,469 5.014,470 0.209,471 0.225,472 0.117,473 0.254,478 0.617,479 1.42,480 0.822,481 1.277,482 0.791,483 0.959,484 0.532,485 1.027,486 0.71,487 0.874,488 0.456,489 0.78,490 1.126,491 1.187,492 1.247,493 1.244,494 0.977,495 1.213,496 0.974,497 0.86,498 1.229,499 1.133,500 1.006,501 0.808,502 2.092,503 0.999,504 1.151,505 0.873,506 2.512,507 1.009,508 0.905,509 1.253,510 1.106,511 1.266,512 0.836,513 1.263,514 1.116,515 0.906,516 0.849,517 0.819,518 1.051,519 0.814,520 0.662,521 0.989,522 0.945,523 1.1,524 0.972,525 1.258,526 8.5,527 0.116,528 3.111,529 2.479,530 1.288,531 1.045,532 0.58,533 0.484,534 0.302,535 0.244,536 5877,537 18068,538 1.972,539 42.9,541 3,542 1,543 2,544 3,546 9,549 1.67,550 1.778,551 3.22,552 1.121,553 1,554 1,556 1,558 75.306,559 1.793,560 3.814,561 4.344,562 4.505,563 4.505,564 4.505,565 2.705,566 4.137,567 4.559,568 3.377,569 932.103,570 7.869,571 10740.9,572 1,573 1,576 226.477,577 1.825,578 4.459,579 0.327,580 0.011,581 0.078,582 0.069,583 0.036,584 0.035,585 0.021,586 0.02,587 0.015,588 0.015,589 0.627,590 0.33,591 1,592 1.264,593 113.18,594 0.078,595 -0.137,596 0.215,597 -0.083,598 -0.218,599 0.023,600 0.366,601 0.106,602 0.206,603 0.14,604 0.367,605 0.175,606 -0.222,607 -0.056,608 -0.213,609 -0.147,610 -0.141,611 -0.247,612 0.064,613 0.046,614 0.065,615 0.063,616 0.135,617 0.256,618 -0.515,619 -0.067,620 -0.245,621 0.058,622 -0.495,623 -0.093,624 -0.071,625 -0.208,626 -0.177,627 -0.253,628 -0.047,629 -0.278,630 -0.1,631 -0.008,632 0.116,633 0.088,634 -0.063,635 0.159,636 0.333,637 0.049,638 -0.097,639 -0.179,640 0.038,641 -0.32,642 4.569,643 5.453,644 0.625,645 18.396,646 1.015,647 1.139,648 1.624,649 2.638,650 0.67,651 3.296,652 3.714,653 3.871,654 4.174,655 4.317,656 4.369,657 4.554,658 4.654,659 4.663,660 4.718,661 5.691,662 0.641,663 346.46,664 3.296,665 4.89,666 5.727,667 6.65,668 7.506,669 8.426,670 9.291,671 10.207,672 11.078,673 11.99,674 14.3,676 1,678 1,682 1,684 3,689 1,690 6,691 3,695 4,697 16,708 1,716 42,718 18,720 26,722 44,723 15,724 11,728 3,729 4,732 3,740 11,741 4,742 1,744 2,747 1,749 2,756 1,757 1,760 18,761 7,762 3,763 9,764 1,769 6,775 0.667,776 2,787 2,793 1,794 2,797 1,819 2,821 1,823 3,827 24,828 1,831 1,834 1,839 1,847 1,850 4.8,853 2,858 13.5,859 8.383,860 4.889,861 2.232,863 3.312,864 1.468,865 0.977,866 3.978,867 10.388,868 3.611,869 4.327,870 4.857,871 5.499,872 6.017,873 6.376,874 6.896,875 7.324,876 7.606,877 8.016,878 1,879 36,880 9.066,881 4.133,882 8,883 16.503,884 13.658,885 2.5,886 60,890 176.567,891 99.39,892 100.7,894 44.313,896 5.807,897 93.583,898 220.879,899 100.7,900 26.476,902 92.586,903 119.805,904 27.181,905 13.67,906 141.253,908 176.567,909 194.283,910 44.313,911 5.807,913 70.627,914 150.253,917 65.754,918 78.295,919 56.042,921 176.567,922 145.013,923 99.39,925 5.807,926 176.567,927 11.536,928 83.211,929 16.405,930 127.444,931 176.567,932 145.013,933 99.39,935 0.611,936 0.316,937 0.174,938 0.088,939 21,940 10,941 0.091,942 4,943 1,944 1.133,945 3.451,946 197.83,947 0.133,948 15,949 103.284,953 1,954 16.681,955 5.724,956 3.685,957 0.575,958 143.849,959 9.78,960 12.16,964 1.72,966 49.302,967 420.97,968 36,971 -3.653,973 24.906,980 42.643,981 47.82,983 0.333,984 0.707,985 0.806,986 0.835,987 0.835,988 0.835,989 4.89,990 1.236,991 5.826,992 4.343,993 4.394,994 5.014,996 6.73,997 4.29,998 6.194,999 1.083,1000 7.456,1001 3.528,1002 4.443,1003 5.255,1005 8.089,1006 4.278,1007 7.584,1008 0.41,1009 9.198,1010 2.497,1011 6.184,1012 7.42,1014 11.054,1015 5.965,1016 9.01,1017 -0.324,1018 11.004,1019 1.08,1020 6.929,1021 8.393,1023 13.133,1024 6.64,1025 10.463,1026 -0.435,1027 12.85,1028 -1.098,1029 8.292,1030 10.152,1032 15.757,1033 7.949,1034 11.938,1035 -0.652,1036 14.723,1037 -1.201,1038 9.306,1039 11.438,1041 18.103,1042 8.889,1043 13.429,1044 -0.782,1045 16.615,1046 -1.628,1047 10.55,1048 13.051,1050 20.642,1051 10.073,1052 3.464,1053 -1,1054 18.524,1055 -2.208,1056 11.673,1057 14.474,1059 23.095,1060 11.121,1061 3.05,1062 12.767,1063 20.444,1064 -2.705,1065 12.883,1066 16.033,1068 25.62,1069 12.264,1070 2.951,1071 9.806,1072 22.375,1073 4.714,1074 14.054,1075 17.515,1077 28.12,1078 13.359,1079 2.683,1080 9.639,1081 24.314,1082 4.444,1083 15.258,1084 19.055,1086 30.648,1087 14.492,1088 2,1089 8.715,1090 26.26,1091 3.69,1092 16.452,1093 20.564,1095 33.171,1096 15.609,1097 1.765,1098 5.546,1099 28.213,1100 3.054,1101 17.66,1102 22.098,1104 35.705,1105 16.743,1106 1.518,1107 5.094,1108 30.171,1109 2.851,1110 18.868,1111 23.62,1113 38.239,1114 17.872,1115 5837,1116 10405,1117 16.296,1118 28.159,1119 41.07,1120 40.995,1121 41.019,1122 40.334,1123 40.321,1124 55.103,1126 126.03,1127 38.284,1128 5.723,1129 6.691,1130 6.898,1131 5.46,1132 5.464,1133 7.714,1135 20.458,1136 5.166,1137 14.957,1138 1.58,1139 1.577,1140 1.578,1141 1.551,1142 1.551,1143 2.119,1145 4.847,1146 1.472,1147 4.136,1148 4.174,1149 4.736,1150 4.071,1151 7.717,1152 4.02,1153 4.018,1154 4.02,1155 4.073,1156 3.884,1157 6.999,1158 3.861,1159 3.719,1160 3.779,1161 3.684,1162 3.573,1163 5.303,1164 3.573,1165 3.517,1166 3.523,1167 3.494,1168 3.395,1169 4.882,1170 3.352,1171 3.298,1172 3.358,1173 3.242,1174 3.099,1175 4.736,1176 3.111,1177 2.909,1178 3.009,1179 2.811,1180 2.749,1181 4.368,1182 2.75,1183 2.874,1184 3.009,1185 2.657,1186 2.618,1187 4.145,1188 2.57,1189 2.874,1190 2.982,1191 2.499,1192 2.618,1193 3.9,1194 2.57,1195 0.188,1196 0.18,1197 0.283,1198 0.169,1199 0.133,1200 4.877,1201 0.181,1202 4.691,1204 7.356,1205 0.491,1206 4.395,1207 0.124,1208 3.464,1209 4.714,1211 12.767,1212 3.217,1213 1.992,1214 1.983,1215 2.033,1216 2.1,1217 1.22,1218 2.104,1219 1.825,1220 1.809,1221 1.963,1222 1.982,1223 1.139,1224 1.997,1225 1.676,1226 1.618,1227 1.783,1228 1.847,1229 0.94,1230 1.857,1231 1.325,1232 1.325,1233 1.45,1234 1.649,1235 0.469,1236 1.602,1237 1.299,1238 1.232,1239 1.417,1240 1.488,1241 0.469,1242 1.523,1243 0.934,1244 0.819,1245 1.417,1246 1.239,1247 0.467,1248 1.308,1249 0.934,1250 0.804,1251 1.141,1252 1.239,1253 0.259,1254 1.308,1255 0.877,1256 0.804,1257 1.109,1258 1.108,1259 0.056,1260 1.091,1261 3.97,1263 5.361,1264 2.398,1265 6.915,1266 4.727,1267 8.542,1268 6.804,1269 10.21,1271 5.35,1275 5.576,1278 2.613,1283 -0.577,1289 26.906,1290 75.306,1291 160.174,1292 182.438,1293 189.193,1294 189.193,1295 189.193,1296 49.677,1297 7.077,1298 115.27,1299 123.65,1300 17,1301 12.512,1302 4.248,1303 3.459,1304 39.265,1305 82,1306 78,1307 0.239,1308 171.873,1309 281.89,1310 411.13,1311 10155,1313 17.535,1314 0.731,1315 0.599,1316 17.785,1317 14.372,1318 11.139,1319 0.428,1320 0.336,1321 7.262,1322 9.885,1323 6.832,1324 5.767,1325 11.96,1326 8.737,1327 12.019,1328 0.3,1329 0.203,1330 13.306,1331 8.135,1332 8.063,1333 0.172,1334 0.104,1335 9.24,1336 4.876,1337 7.397,1338 0.116,1339 0.057,1340 8.634,1341 3.67,1342 5.306,1343 0.072,1344 0.029,1345 6.019,1346 2.171,1347 0.37,1348 78.577,1349 0.248,1350 23.159,1351 0.672,1352 132,1353 410.557,1354 184.4,1355 422.745,1356 574.55,1357 386,1358 153,1359 409.396,1360 215.53,1361 452.304,1362 653.13,1363 419,1364 5}
{0 CHEMBL221959,1 1.567,2 8.696,3 1.372,4 1.883,5 87.831,6 7.266,7 0.4,8 3.858,9 3.998,10 3.408,11 3.334,12 4.964,13 3.324,14 4.432,15 4.643,16 3.762,17 3.746,18 5.408,19 3.709,20 4.697,21 4.92,22 3.855,23 3.924,24 5.691,25 3.859,26 4.853,27 5.103,28 3.837,29 3.998,30 5.874,31 3.897,32 4.905,33 5.183,34 3.72,35 4.009,36 5.772,37 3.869,38 4.827,39 5.104,40 3.663,41 3.916,42 5.78,43 3.789,44 4.681,45 4.945,46 3.517,47 3.743,48 5.755,49 3.62,50 4.465,51 4.769,52 3.189,53 3.443,54 5.493,55 3.305,56 0.02,57 0.693,58 9.09,59 3.332,60 9.916,61 4.976,62 0.278,63 1.085,64 18.121,65 5.65,66 22.406,67 8.677,68 0.25,69 1.31,70 24.153,71 7.443,72 39.951,73 11.503,74 0.483,75 1.411,76 29.517,77 9.021,78 72.937,79 13.754,80 0.428,81 1.405,82 31.822,83 9.981,84 54.136,85 15.511,86 0.334,87 1.307,88 29.314,89 8.631,90 58.293,91 13.766,92 0.462,93 1.106,94 25.547,95 7.42,96 68.581,97 11.408,98 0.26,99 0.837,100 21.112,101 5.624,102 40.757,103 9.33,104 20,105 35,106 0.274,107 0.644,108 0.86,109 0.876,110 0.876,111 0.876,112 3.189,113 0.933,114 -3,115 -3.01,116 -2.9,118 37.2,119 1,120 2,121 1,123 1,124 2,126 1,138 1,139 1,143 1,144 1,147 1,153 2,156 1,167 3,170 3,171 8,173 1,175 2,178 1,181 1,182 6,191 3,192 3,195 2,199 2,203 2,204 5,211 4,215 4,220 1,223 3,227 3,228 5,231 1,233 2,235 1,240 2,247 1,251 2,252 2,255 1,257 1,264 709,265 15.56,266 15.56,267 15.56,268 15.56,269 15.56,270 14.091,271 16.291,272 9.16,273 15.944,274 12.26,275 12.26,276 12.26,277 12.26,278 12.26,279 9.988,280 21.804,281 4.2,282 12.86,283 3.859,284 1.738,285 0.5,286 0.407,287 0.407,288 0.407,289 3.866,292 1,293 1,294 1,295 426,296 3.317,299 47.145,300 133.048,303 88.881,307 1.361,308 22.725,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 50,320 200,321 4.557,322 4.093,323 6.803,324 4.155,325 3.205,326 4.474,327 2.65,328 11.145,329 3.046,330 4.076,331 3.667,332 6.327,333 3.883,334 2.919,335 3.218,336 1.749,337 9.527,338 2.813,339 3.838,340 3.345,341 5.963,342 3.58,343 2.613,344 3.056,345 0.8,346 8.302,347 2.528,348 3.477,349 2.888,350 5.451,351 3.125,352 2.176,353 2.619,354 0.547,355 6.657,356 2.054,357 3.365,358 2.381,359 4.576,360 2.508,361 1.554,362 2.321,364 4.315,365 1.481,366 3.048,367 2.038,368 4.211,369 2.485,370 1.543,371 1.92,373 3.807,374 1.46,375 2.703,376 1.614,377 4.104,378 2.479,379 1.52,380 1.708,382 3.61,383 1.437,384 2.521,385 1.547,386 3.659,387 1.947,388 1,389 1.5,391 2.362,392 0.945,393 2.5,394 1.512,395 3.396,396 1.868,397 0.917,398 1.283,400 2.222,401 0.869,402 2.103,403 1.046,404 3.069,405 1.839,406 0.848,407 1.031,409 1.399,410 0.831,411 1.723,412 1,413 2.957,414 1.323,415 0.392,416 0.523,417 0.97,418 0.364,419 1.18,420 0.458,421 2.508,422 0.849,423 -0.127,424 -0.135,425 -0.278,426 -0.123,427 0.963,428 0.157,429 2.291,430 0.419,431 -0.585,432 -0.785,433 -0.922,434 -0.552,435 0.772,436 -0.22,437 2.249,438 0.316,439 -0.614,440 -0.841,441 -1.49,442 -0.594,443 0.5,444 -0.501,445 1.95,446 0.112,447 -0.829,448 -1,449 -2.428,450 -0.78,451 10.733,452 0.467,453 0.559,454 0.024,455 29,456 1.261,457 13,458 0.565,459 16,460 0.696,461 19.759,462 0.859,463 25.267,464 0.588,465 19.773,466 0.86,467 5.462,468 0.237,469 5.651,470 0.246,471 0.161,473 0.354,478 0.785,479 1.683,480 0.793,481 1.281,482 0.477,483 1.069,484 0.81,485 1.013,486 0.86,487 0.91,488 0.488,489 0.885,490 1.057,491 1.244,492 1.01,493 1.144,494 0.839,495 1.079,496 1.012,497 0.926,498 1.059,499 1.027,500 0.787,501 1.054,502 0.811,503 0.904,504 0.977,505 0.993,506 0.721,507 1.012,508 0.939,509 0.99,510 1.011,511 1.021,512 0.943,513 1.02,514 1.186,515 0.907,516 1.136,517 1.024,518 1.404,519 1.08,520 0.98,521 0.917,522 0.952,523 0.928,524 0.899,525 0.923,526 4,527 0.041,528 3.333,529 1.75,530 1.217,531 0.903,532 0.469,533 0.359,534 0.131,535 0.091,536 5072,537 14465,538 2.041,539 46.5,540 3,541 9,542 1,543 1,544 1,545 2,546 3,549 1.662,550 1.89,551 3.116,552 -0.241,553 1,554 1,556 1,558 67.381,559 1.567,560 3.688,561 4.926,562 5.019,563 5.019,564 5.019,565 2.541,566 4.35,567 4.496,568 3.239,569 819.495,570 7.766,571 9094.07,573 1,576 233.329,577 1.478,578 4.443,579 0.16,580 0.007,581 0.095,582 0.047,583 0.035,584 0.029,585 0.016,586 0.015,587 0.008,588 0.008,589 0.42,590 0.5,591 1,592 1.226,593 105.892,594 -0.038,595 -0.402,596 0.063,597 -0.16,598 0.051,599 -0.052,600 0.09,601 0.131,602 0.072,603 0.099,604 0.039,605 0.086,606 -0.099,607 -0.183,608 -0.065,609 -0.131,610 -0.015,611 -0.098,612 0.006,613 0.061,614 -0.087,615 -0.041,616 0.074,617 -0.077,618 0.01,619 0.008,620 -0.006,621 0.009,622 -0.035,624 -0.091,625 -0.06,626 -0.036,627 -0.042,628 -0.079,629 -0.027,630 -0.041,631 0.02,632 -0.136,633 -0.062,634 -0.145,635 -0.115,636 -0.062,637 -0.056,638 0.059,639 0.002,640 0.016,641 0.052,642 1.757,643 5.035,644 0.652,645 16.253,646 1.003,647 1.142,648 1.775,649 3.15,650 0.647,651 3.258,652 3.584,653 3.892,654 4.143,655 4.317,656 4.382,657 4.454,658 4.5,659 4.431,660 4.443,661 5.258,662 0.617,663 312.42,664 3.258,665 4.796,666 5.659,667 6.544,668 7.427,669 8.318,670 9.208,671 10.101,672 10.994,673 11.889,674 14,680 1,681 1,682 1,683 1,684 2,689 2,690 3,691 2,692 1,695 1,697 10,711 1,716 43,718 12,720 25,722 45,723 16,724 6,728 3,729 4,732 1,735 2,736 1,738 3,739 1,740 7,741 8,742 1,744 1,749 1,753 1,756 1,757 1,760 20,761 6,762 1,763 7,769 6,775 0.667,776 1,788 1,789 1,793 1,794 2,797 1,803 1,808 1,819 2,823 2,827 23,833 4,837 2,838 2,842 1,846 1,848 1,850 2.3,853 1,858 12.167,859 8.333,860 5.167,861 2.635,863 2.176,864 1.315,865 0.951,866 4.495,867 9.091,868 3.526,869 4.047,870 4.606,871 5.172,872 5.559,873 5.842,874 6.175,875 6.484,876 6.31,877 6.53,878 0.833,879 37,880 8.495,881 3.583,882 7.819,883 16.252,884 13.401,885 2.319,886 53.333,890 223.651,891 81.567,892 87.665,894 25.145,897 81.567,898 248.796,899 87.665,900 17.222,901 12.405,902 18.524,903 93.509,904 62.161,905 14.099,906 200.109,908 223.651,909 169.231,910 25.145,913 188.338,914 60.458,917 79.409,918 56.252,919 33.571,921 223.651,922 112.809,923 81.567,926 223.651,927 20.601,928 50.612,929 33.387,930 89.775,931 223.651,932 112.809,933 81.567,935 0.578,936 0.355,937 0.194,938 0.099,939 17,940 8,941 0.067,942 3,943 1,944 1.133,945 3.412,946 186.366,947 0.133,948 15,949 104.042,954 15.766,955 6.557,956 3.02,957 1.783,958 96.024,959 5.369,960 8.656,961 3.094,964 0.864,966 16.786,967 418.027,968 33,973 12.035,977 -0.09,980 43.123,981 49.106,983 0.289,984 0.68,985 0.908,986 0.925,987 0.925,988 0.925,989 4.783,990 1,991 5.652,992 3.61,993 4.263,994 4.732,995 3.059,996 6.497,997 4.171,998 5.978,999 0.917,1000 7.238,1001 2.362,1002 3.892,1003 4.511,1004 1.738,1005 7.483,1006 3.769,1007 7.281,1008 0.848,1009 8.928,1010 2.222,1011 5.883,1012 6.879,1013 4.68,1014 10.61,1015 5.702,1016 8.618,1017 0.392,1018 10.679,1019 1.399,1020 6.365,1021 7.584,1022 3.393,1023 12.417,1024 6.15,1025 9.988,1026 -0.127,1027 12.469,1028 0.97,1029 7.817,1030 9.418,1031 6.518,1032 15.061,1033 7.548,1034 11.383,1035 -0.585,1036 14.283,1037 -0.278,1038 8.668,1039 10.557,1040 5.294,1041 17.192,1042 8.358,1043 12.797,1044 -0.614,1045 16.115,1046 -0.922,1047 9.918,1048 12.188,1049 8.412,1050 19.673,1051 9.557,1052 3.205,1053 -0.829,1054 17.96,1055 -1.49,1056 10.929,1057 13.527,1058 7.317,1059 21.945,1060 10.524,1061 2.919,1062 11.145,1063 19.814,1064 -2.428,1065 12.105,1066 15.077,1067 10.325,1068 24.369,1069 11.648,1070 2.613,1071 9.527,1072 21.676,1073 4.474,1074 13.187,1075 16.505,1076 9.381,1077 26.705,1078 12.682,1079 2.176,1080 8.302,1081 23.545,1082 3.218,1083 14.337,1084 18.023,1085 12.246,1086 29.11,1087 13.781,1088 1.554,1089 6.657,1090 25.418,1091 3.056,1092 15.452,1093 19.49,1094 11.448,1095 31.479,1096 14.846,1097 1.543,1098 4.315,1099 27.295,1100 2.619,1101 16.596,1102 20.996,1103 14.171,1104 33.879,1105 15.938,1106 1.52,1107 3.807,1108 29.176,1109 2.321,1110 17.727,1111 22.481,1112 13.507,1113 36.264,1114 17.017,1115 5032,1116 8585,1117 16.414,1118 27.819,1119 38.783,1120 41.043,1121 39.434,1122 37.352,1123 37.373,1124 47.31,1125 11.491,1126 108.632,1127 35.657,1128 5.557,1129 6.093,1130 6.572,1131 5.236,1132 5.205,1133 7.474,1134 5.231,1135 18.665,1136 4.985,1137 11.679,1138 1.551,1139 1.642,1140 1.577,1141 1.494,1142 1.495,1143 1.892,1144 0.46,1145 4.345,1146 1.426,1147 4.1,1148 4.15,1149 4.064,1150 3.952,1151 7.428,1152 3.974,1153 3.895,1154 3.952,1155 3.8,1156 3.741,1157 6.817,1158 3.745,1159 3.595,1160 3.642,1161 3.517,1162 3.418,1163 5.122,1164 3.435,1165 3.408,1166 3.495,1167 3.296,1168 3.18,1169 4.498,1170 3.195,1171 3.22,1172 3.308,1173 3.103,1174 2.993,1175 4.354,1176 3.006,1177 3.213,1178 3.304,1179 3.067,1180 2.99,1181 4.065,1182 2.993,1183 3.001,1184 3.104,1185 2.761,1186 2.799,1187 3.811,1188 2.773,1189 2.844,1190 2.903,1191 2.703,1192 2.558,1193 3.731,1194 2.591,1195 0.182,1196 0.164,1197 0.272,1198 0.166,1199 0.128,1200 4.557,1201 0.179,1202 4.093,1203 0.106,1204 6.803,1205 0.446,1206 4.155,1207 0.122,1208 3.205,1209 4.474,1210 2.65,1211 11.145,1212 3.046,1213 1.902,1214 1.851,1215 2.07,1216 2.081,1217 1.441,1218 2.077,1219 1.773,1220 1.729,1221 1.856,1222 1.957,1223 0.99,1224 1.931,1225 1.53,1226 1.486,1227 1.709,1228 1.742,1229 0.847,1230 1.73,1231 1.466,1232 1.396,1233 1.641,1234 1.696,1235 0.804,1236 1.692,1237 1.289,1238 1.199,1239 1.601,1240 1.535,1241 0.679,1242 1.563,1243 1.196,1244 1.104,1245 1.534,1246 1.45,1247 0.604,1248 1.481,1249 1.036,1250 0.935,1251 1.421,1252 1.284,1253 0.593,1254 1.337,1255 0.869,1256 0.79,1257 1.09,1258 1.123,1259 0.256,1260 1.121,1261 3.932,1263 5.252,1264 2.398,1265 6.779,1266 4.595,1267 8.402,1268 6.605,1269 10.075,1271 4.205,1277 2.206,1281 0.606,1282 3.925,1287 8.739,1288 1.943,1289 26.531,1290 67.381,1291 158.574,1292 211.82,1293 215.82,1294 215.82,1295 215.82,1296 41.059,1297 6.915,1298 88.91,1299 88.91,1300 17,1301 12.415,1302 3.7,1303 3.17,1304 36.646,1305 71,1306 84,1307 0.255,1308 166.338,1309 282.79,1310 397.625,1311 8339,1313 16.397,1314 0.713,1315 0.581,1316 16.397,1317 13.359,1318 11.113,1319 0.445,1320 0.311,1321 7.64,1322 10.602,1323 7.414,1324 6.159,1325 11.113,1326 7.771,1327 9.789,1328 0.28,1329 0.173,1330 9.789,1331 6.056,1332 8.578,1333 0.179,1334 0.097,1335 8.578,1336 4.666,1337 7.119,1338 0.115,1339 0.053,1340 7.119,1341 3.256,1342 5.314,1343 0.072,1344 0.03,1345 5.314,1346 2.188,1347 0.387,1348 70.171,1349 0.247,1350 22.155,1351 0.736,1352 120,1353 352.294,1354 133.066,1355 343.07,1356 463.41,1357 320,1358 143,1359 336.58,1360 157.178,1361 341.037,1362 495.21,1363 319,1364 5}
{0 CHEMBL223360,1 1.634,2 11.429,3 4.169,4 17.383,5 107.914,6 8.162,7 0.71,8 3.95,9 4.077,10 3.584,11 3.517,12 5.182,13 3.516,14 4.409,15 4.555,16 3.957,17 3.901,18 5.658,19 3.881,20 4.647,21 4.824,22 4,23 4.007,24 5.876,25 3.969,26 4.721,27 4.936,28 3.93,29 3.963,30 5.904,31 3.912,32 4.667,33 4.882,34 3.863,35 3.86,36 6.017,37 3.812,38 4.591,39 4.828,40 3.641,41 3.733,42 5.779,43 3.668,44 4.397,45 4.639,46 3.447,47 3.569,48 5.514,49 3.493,50 4.231,51 4.463,52 3.433,53 3.458,54 5.408,55 3.397,56 0.108,57 0.782,58 7.914,59 3.697,60 11.726,61 4.413,62 0.223,63 1.204,64 13.556,65 6.439,66 22.404,67 8.066,68 0.344,69 1.489,70 19.254,71 7.879,72 40.825,73 9.722,74 0.337,75 1.507,76 23.161,77 8.716,78 48.52,79 11.124,80 0.537,81 1.362,82 22.441,83 7.743,84 80.827,85 10.011,86 0.435,87 1.257,88 22.255,89 7.478,90 67.431,91 9.409,92 0.323,93 1.008,94 18.15,95 6.136,96 46.423,97 8.048,98 0.256,99 0.927,100 15.067,101 5.878,102 32.921,103 7.568,104 17,105 44,106 0.276,107 0.606,108 0.745,109 0.86,110 0.877,111 0.877,112 3.374,113 0.84,114 -5.45,115 -5.33,116 -4.98,118 45.7,119 1,138 10,139 4,140 3,143 1,148 1,154 1,158 1,159 1,160 1,163 1,167 13,171 1,172 1,173 3,174 1,175 6,178 16,180 1,182 2,185 1,186 7,187 1,188 13,190 1,192 6,197 11,199 7,201 3,204 6,208 10,211 4,213 3,215 5,220 9,223 4,225 2,228 1,233 2,235 6,240 2,243 1,244 2,245 3,246 1,247 9,252 1,257 1,260 7,264 1148,265 18.809,266 18.809,267 18.809,268 18.809,269 18.809,270 15.963,271 17.267,272 10.95,273 19.05,274 15.292,275 15.292,276 15.292,277 15.292,278 15.292,279 11.074,280 22.095,281 5.201,282 15.696,283 3.889,284 1.931,285 1.103,286 0.424,287 0.321,288 0.321,289 4.07,293 1,294 1,295 700,296 3.082,299 65.692,300 273.275,303 123.126,307 1.939,308 29.165,310 1,311 0.75,312 1,313 1,314 0.6,316 1,317 1,318 0.76,319 61,320 320,321 4.661,322 3.575,323 6.879,324 4.209,325 3.223,326 4.621,327 1.656,328 11.471,329 3.18,330 4.252,331 3.24,332 6.094,333 3.851,334 2.89,335 3.891,336 0.247,337 8.874,338 2.77,339 4.074,340 3.12,341 5.886,342 3.656,343 2.677,344 3.693,346 8.159,347 2.619,348 3.76,349 2.672,350 5.452,351 3.402,352 2.427,353 3.118,355 7.243,356 2.359,357 3.492,358 2.42,359 4.956,360 3.11,361 2.126,362 2.805,364 5.769,365 2.085,366 3.362,367 2.347,368 4.932,369 2.94,370 1.963,371 2.703,373 5.421,374 1.902,375 3.342,376 1.983,377 4.804,378 2.87,379 1.911,380 2.608,382 5.315,383 1.83,384 2.967,385 1.801,386 4.459,387 2.486,388 1.507,389 2.173,391 4.198,392 1.473,393 2.805,394 1.535,395 4.109,396 2.347,397 1.365,398 1.914,400 3.599,401 1.33,402 2.631,403 1.185,404 3.817,405 2.138,406 1.157,407 1.692,409 2.803,410 1.132,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,417 2.275,418 1,419 2.174,420 0.794,421 3.327,422 1.703,423 0.721,424 1.031,425 1.751,426 0.706,427 1.536,428 0.764,429 3.006,430 1.209,431 0.288,432 0.342,433 0.673,434 0.26,435 1.337,436 0.578,437 2.605,438 0.978,439 0.009,440 0.011,441 0.022,442 0.009,443 1,444 0.219,445 2.391,446 0.655,447 -0.332,448 -0.412,449 -0.849,450 -0.324,451 13.119,452 0.469,453 0.75,454 0.027,455 40.75,456 1.455,457 23,458 0.821,459 17.75,460 0.634,461 18.905,462 0.675,463 28.881,464 0.628,465 31.015,466 1.108,467 8.341,468 0.298,469 5.167,470 0.185,471 0.116,473 0.381,477 1,478 0.717,479 0.909,480 0.729,481 0.816,482 0.639,483 0.77,484 0.502,485 1.016,486 0.71,487 1.005,488 0.516,489 0.932,490 0.951,491 1.066,492 1.02,493 1.089,494 0.93,495 1.075,496 1.056,497 1.148,498 1.011,499 1.107,500 0.99,501 1.058,502 0.972,503 0.955,504 1.028,505 1.025,506 0.951,507 1.031,508 1.381,509 1.015,510 1.167,511 0.97,512 1.412,513 1.008,514 1.091,515 0.88,516 1.067,517 0.899,518 1.064,519 0.956,520 0.921,521 0.98,522 0.846,523 0.985,524 0.97,525 0.93,526 6,527 0.127,528 3.333,529 2.222,530 1.559,531 0.847,532 0.532,533 0.339,534 0.207,535 0.208,536 10812,537 31589,538 2.094,539 39.1,540 3,541 10,544 5,549 1.705,550 1.953,551 3.45,552 2.467,554 1,558 75.177,559 1.634,560 3.593,561 4.421,562 5.099,563 5.203,564 5.203,565 2.833,566 4.28,567 4.783,568 3.697,569 1397.53,570 8.283,571 19134.4,573 1,575 1,576 254.084,577 1.432,578 4.736,579 0.194,580 0.006,581 0.076,582 0.051,583 0.039,584 0.024,585 0.018,586 0.014,587 0.009,588 0.01,589 0.44,590 0.17,591 0.88,592 0.573,593 142.488,594 -0.07,595 0.119,596 0.005,597 0.129,598 -0.107,599 0.099,600 0.173,601 -0.028,602 0.081,603 -0.026,604 0.084,605 -0.009,606 -0.045,607 -0.047,608 -0.138,609 -0.12,610 -0.059,611 -0.145,612 -0.099,613 -0.158,614 -0.043,615 -0.126,616 -0.048,617 -0.08,618 0.068,619 -0.046,620 -0.04,621 -0.074,622 0.141,623 -0.075,624 -0.216,625 -0.025,626 -0.122,627 0.005,628 -0.185,629 -0.024,630 -0.156,631 -0.021,632 -0.047,633 0.067,634 -0.117,635 0.043,636 0.092,637 0.034,638 0.175,639 0.036,640 0.047,641 0.099,642 2.182,643 5.783,644 0.75,645 26.857,646 1.012,647 1.129,648 4.218,649 17.792,650 0.69,651 3.466,652 3.807,653 4.078,654 4.357,655 4.554,656 4.533,657 4.635,658 4.771,659 4.762,660 4.852,661 7.166,662 0.672,663 375.44,664 3.466,665 5.017,666 5.872,667 6.758,668 7.629,669 8.516,670 9.393,671 10.281,672 11.162,673 12.051,674 10.9,678 1,681 2,682 1,684 1,689 2,690 10,691 1,692 1,695 7,697 22,708 1,715 1,716 46,718 23,719 3,720 31,722 49,723 21,724 19,725 8,726 10,728 4,729 5,731 1,732 1,740 20,741 1,744 1,749 1,753 1,757 1,758 1,760 18,761 6,762 5,763 7,769 5,775 0.75,776 1,785 1,793 1,794 3,797 1,819 3,823 1,825 1,827 28,828 1,834 2,849 1,850 2.2,853 1,858 14.333,859 8.426,860 6.056,861 2.525,863 4.156,864 1.543,865 1.046,866 4.82,867 11.808,868 3.784,869 4.446,870 5.059,871 5.692,872 6.224,873 6.466,874 6.88,875 7.326,876 7.533,877 7.893,878 1,879 44,880 10.322,881 4.475,882 7.935,883 19.23,884 15.741,885 2.435,886 68.167,889 1,890 153.024,891 139.1,892 102.245,894 25.145,895 14.96,897 139.1,898 178.169,899 117.205,900 8.825,901 36.022,902 127.66,903 41.808,904 43.427,905 23.708,906 153.024,908 153.024,909 241.344,910 40.105,913 167.984,914 25.145,917 61.51,918 163.172,919 16.663,921 167.984,922 127.39,923 139.1,926 153.024,927 35.512,928 103.588,929 52.685,930 89.665,931 153.024,932 142.35,933 139.1,935 0.588,936 0.344,937 0.19,938 0.104,939 22,940 10,941 0.061,942 3,943 1,944 1.095,945 4.019,946 241.433,947 0.095,948 21,949 130.606,954 18.169,955 7.428,956 3.771,957 1.715,958 125.687,959 17.643,960 4.049,961 2.896,964 3.414,966 85.582,967 434.474,968 43,973 12.167,977 -0.515,980 46.534,981 51.947,983 0.296,984 0.65,985 0.8,986 0.923,987 0.942,988 0.942,989 5.014,990 1.507,991 5.866,992 5.315,993 4.489,994 5.133,995 1.758,996 6.683,997 4.438,998 6.249,999 1.365,1000 7.43,1001 4.198,1002 4.111,1003 4.997,1004 1.195,1005 7.594,1006 4.027,1007 7.569,1008 1.157,1009 9.09,1010 3.599,1011 6.089,1012 7.403,1013 2.415,1014 10.705,1015 5.992,1016 8.926,1017 1,1018 10.809,1019 2.803,1020 6.509,1021 8.091,1022 2.324,1023 12.482,1024 6.38,1025 10.312,1026 0.721,1027 12.567,1028 2.275,1029 7.973,1030 9.976,1031 3.244,1032 15.123,1033 7.835,1034 11.721,1035 0.288,1036 14.354,1037 1.751,1038 8.77,1039 11.075,1040 3.407,1041 17.278,1042 8.606,1043 13.15,1044 0.009,1045 16.164,1046 0.673,1047 10.03,1048 12.741,1049 4.156,1050 19.767,1051 9.856,1052 3.223,1053 -0.332,1054 17.991,1055 0.022,1056 11.01,1057 14.051,1058 4.464,1059 22.085,1060 10.815,1061 2.89,1062 11.471,1063 19.834,1064 -0.849,1065 12.19,1066 15.623,1067 5.111,1068 24.529,1069 11.984,1070 2.677,1071 8.874,1072 21.688,1073 4.621,1074 13.257,1075 17.039,1076 5.504,1077 26.914,1078 13.035,1079 2.427,1080 8.159,1081 23.554,1082 3.891,1083 14.409,1084 18.574,1085 6.091,1086 29.348,1087 14.176,1088 2.126,1089 7.243,1090 25.428,1091 3.693,1092 15.518,1093 20.043,1094 6.531,1095 31.763,1096 15.272,1097 1.963,1098 5.769,1099 27.31,1100 3.118,1101 16.664,1102 21.566,1103 7.083,1104 34.196,1105 16.408,1106 1.911,1107 5.421,1108 29.198,1109 2.805,1110 17.795,1111 23.062,1112 7.551,1113 36.623,1114 17.527,1115 10184,1116 17540,1117 20.69,1118 31.75,1119 47.051,1120 48.091,1121 48.466,1122 46.518,1123 46.524,1124 64.205,1125 3.806,1126 135.147,1127 45.305,1128 5.532,1129 5.575,1130 6.408,1131 5.253,1132 5.223,1133 7.621,1134 2.912,1135 18.697,1136 5.18,1137 13.914,1138 1.518,1139 1.551,1140 1.563,1141 1.501,1142 1.501,1143 2.071,1144 0.123,1145 4.36,1146 1.461,1147 4.134,1148 4.17,1149 4.103,1150 4.049,1151 8.201,1152 4.056,1153 3.946,1154 3.979,1155 3.9,1156 3.858,1157 7.431,1158 3.861,1159 3.851,1160 3.888,1161 3.796,1162 3.761,1163 5.248,1164 3.765,1165 3.449,1166 3.503,1167 3.394,1168 3.201,1169 4.796,1170 3.237,1171 3.356,1172 3.422,1173 3.266,1174 3.151,1175 4.688,1176 3.177,1177 3.176,1178 3.249,1179 3.048,1180 2.999,1181 4.648,1182 2.998,1183 3.027,1184 3.111,1185 2.933,1186 2.871,1187 4.321,1188 2.878,1189 2.865,1190 2.962,1191 2.723,1192 2.735,1193 4.023,1194 2.715,1195 0.15,1196 0.115,1197 0.222,1198 0.136,1199 0.104,1200 4.661,1201 0.149,1202 3.575,1203 0.053,1204 6.879,1205 0.37,1206 4.209,1207 0.103,1208 3.223,1209 4.621,1210 1.656,1211 11.471,1212 3.18,1213 2.013,1214 1.995,1215 2.089,1216 2.08,1217 1.241,1218 2.084,1219 1.906,1220 1.88,1221 2.014,1222 2.013,1223 1.122,1224 2.012,1225 1.785,1226 1.755,1227 1.895,1228 1.896,1229 0.989,1230 1.896,1231 1.356,1232 1.283,1233 1.534,1234 1.694,1235 0.589,1236 1.64,1237 1.292,1238 1.231,1239 1.484,1240 1.587,1241 0.408,1242 1.557,1243 1.146,1244 1.079,1245 1.365,1246 1.39,1247 0.311,1248 1.407,1249 1.039,1250 0.975,1251 1.249,1252 1.298,1253 0.273,1254 1.295,1255 0.897,1256 0.835,1257 1.181,1258 1.099,1259 0.218,1260 1.112,1261 4.143,1263 5.476,1264 2.398,1265 6.999,1266 4.727,1267 8.609,1268 6.823,1269 10.266,1271 1.828,1273 13.783,1275 5.968,1278 5.219,1289 30.893,1290 75.177,1291 165.281,1292 203.355,1293 234.574,1294 239.329,1295 239.329,1296 49.071,1297 7.652,1298 95.83,1299 95.83,1300 23,1301 12.583,1302 4.585,1303 3.7,1304 42.749,1305 124,1306 98,1307 0.17,1308 189.601,1309 319.64,1310 454.385,1311 23921,1312 2.2,1313 19.673,1314 0.703,1315 0.539,1316 18.803,1317 15.084,1318 13.508,1319 0.436,1320 0.28,1321 8.57,1322 13.033,1323 8.368,1324 6.971,1325 13.097,1326 8.682,1327 12.5,1328 0.284,1329 0.147,1330 11.982,1331 6.477,1332 10.363,1333 0.179,1334 0.077,1335 9.814,1336 4.441,1337 8.806,1338 0.114,1339 0.04,1340 8.653,1341 3.091,1342 7.23,1343 0.077,1344 0.022,1345 6.696,1346 2.037,1347 0.273,1348 84.505,1349 0.22,1350 27.066,1351 0.448,1352 150,1353 479.803,1354 164.843,1355 449.791,1356 612.41,1357 418,1358 177,1359 456.773,1360 191.021,1361 460.28,1362 669.85,1363 433,1364 5.854}
{0 CHEMBL230011,1 1.675,2 7.885,3 2.637,4 6.954,5 95.202,6 8.659,7 0.793,8 3.843,9 3.954,10 3.515,11 3.384,12 5.164,13 3.411,14 4.25,15 4.376,16 3.905,17 3.754,18 5.605,19 3.767,20 4.496,21 4.657,22 3.98,23 3.858,24 5.801,25 3.863,26 4.507,27 4.696,28 3.942,29 3.821,30 5.799,31 3.817,32 4.496,33 4.674,34 3.931,35 3.849,36 5.791,37 3.846,38 4.514,39 4.684,40 3.954,41 3.893,42 5.791,43 3.878,44 4.559,45 4.734,46 3.901,47 3.861,48 5.867,49 3.837,50 4.566,51 4.771,52 3.675,53 3.667,54 5.923,55 3.619,56 0.151,57 0.65,58 6.242,59 2.923,60 22.572,61 3.025,62 0.206,63 0.992,64 9.428,65 4.932,66 19.459,67 5.714,68 0.38,69 1.197,70 14.477,71 5.901,72 42.394,73 6.727,74 0.385,75 1.197,76 16.05,77 6.158,78 47.359,79 7.601,80 0.445,81 1.192,82 15.109,83 5.438,84 53.866,85 6.345,86 0.349,87 1.188,88 15.003,89 6.25,90 38.169,91 7.587,92 0.335,93 1.202,94 15.847,95 6.594,96 35.346,97 7.887,98 0.528,99 1.095,100 18.861,101 6.686,102 68.064,103 8.135,104 17,105 42,106 0.29,107 0.593,108 0.706,109 0.801,110 0.81,111 0.827,112 3.306,113 0.797,114 -3.67,115 -3.64,116 -3.47,118 45,138 8,139 2,140 2,142 3,143 1,145 1,146 1,158 2,159 2,160 2,167 8,170 2,171 2,172 3,173 3,175 4,178 8,181 3,182 6,183 1,184 1,186 4,188 5,191 1,192 7,194 3,195 3,196 1,197 2,198 2,199 4,202 1,204 8,205 1,206 3,208 1,211 6,213 1,215 8,218 2,220 6,223 6,225 4,228 5,231 1,233 10,235 5,237 6,240 3,243 2,244 1,245 7,246 1,247 2,249 5,252 1,255 1,256 3,257 5,259 2,260 1,262 3,264 968,265 17.394,266 17.394,267 17.394,268 17.394,269 17.394,270 14.631,271 10.638,272 10.119,273 17.75,274 14.347,275 14.347,276 14.347,277 14.347,278 14.347,279 10.22,280 9.826,281 4.859,282 14.991,283 3.647,284 1.9,285 1.25,286 0.7,287 0.65,288 0.55,289 4.001,292 1,293 1,294 1,295 444,296 2.236,300 260.282,304 105.77,307 1.142,308 32.774,310 1,311 0.75,312 0.83,313 0.83,314 0.3,316 0.67,317 0.5,318 0.55,319 57,320 205,321 4.649,322 3.248,323 6.774,324 4.196,325 3.234,326 4.578,328 11.176,329 3.116,330 4.297,331 2.941,332 6.389,333 3.854,334 2.895,335 3.974,337 9.753,338 2.771,339 4.054,340 2.762,341 5.838,342 3.636,343 2.654,344 3.67,346 8.121,347 2.605,348 3.737,349 2.534,350 5.176,351 3.282,352 2.329,353 3.237,355 6.384,356 2.213,357 3.499,358 2.232,359 5.075,360 3.033,361 2.109,362 2.888,364 5.993,365 1.951,366 3.423,367 2.164,368 5.002,369 2.969,370 2.03,371 2.787,373 5.823,374 1.895,375 3.269,376 1.989,377 4.888,378 2.826,379 1.889,380 2.538,382 5.438,383 1.761,384 2.868,385 1.492,386 4.383,387 2.382,388 1.411,389 2.03,391 3.928,392 1.365,393 2.697,394 1.285,395 3.972,396 2.215,397 1.236,398 1.786,400 3.058,401 1.208,402 2.571,403 1.091,404 3.484,405 2.068,406 1.08,407 1.606,409 2.53,410 1.066,411 2.459,412 1.031,413 3.472,414 1.935,415 1,416 1.441,417 2.497,418 0.932,419 1.461,420 0.159,421 3.09,422 1.02,423 0.087,424 0.116,425 0.245,426 0.081,427 1.126,428 -0.057,429 2.816,430 0.631,431 -0.302,432 -0.416,433 -0.804,434 -0.281,435 0.937,436 -0.057,437 2.555,438 0.527,439 -0.404,440 -0.51,441 -0.901,442 -0.37,443 0.92,444 -0.258,445 2.37,446 0.502,447 -0.42,448 -0.529,449 -1.023,450 -0.382,451 12.067,452 0.464,453 0.75,454 0.029,455 41.5,456 1.596,457 24,458 0.923,459 17.5,460 0.673,461 15.646,462 0.602,463 26.333,464 0.658,465 31.77,466 1.222,467 8.228,468 0.316,469 4.28,470 0.165,471 0.122,473 0.414,478 1.119,479 1.065,480 0.755,481 0.753,482 1.21,483 0.682,484 0.562,485 1.047,486 0.628,487 1.018,488 0.518,489 0.881,490 1.035,491 1.088,492 0.925,493 0.99,494 1,495 0.948,496 0.828,497 1.029,498 0.824,499 0.956,500 0.731,501 0.902,502 1.021,503 0.943,504 1.012,505 0.816,506 0.916,507 0.871,508 0.794,509 1.068,510 0.897,511 1.019,512 0.708,513 0.978,514 0.958,515 1.221,516 1.072,517 1.267,518 0.896,519 1.202,520 1.214,521 1.162,522 1.277,523 1.301,524 1.326,525 1.311,526 6,527 0.012,528 2.889,529 2,530 1.933,531 1.035,532 0.773,533 0.606,534 0.358,535 0.144,536 6983,537 22132,538 2.101,539 35,541 8,544 6,549 1.701,550 1.95,551 2.983,552 3.468,553 1,554 1,556 1,558 67.006,559 1.675,560 3.422,561 4.072,562 4.622,563 4.672,564 4.772,565 2.411,566 3.594,567 4.672,568 3.145,569 1022,570 8.154,571 12426.2,572 1,573 1,574 1,575 1,576 212.877,577 1.46,578 4.624,579 0.207,580 0.006,581 0.069,582 0.045,583 0.046,584 0.025,585 0.018,586 0.016,587 0.013,588 0.01,589 0.455,590 0.33,591 1,592 0.596,593 123.35,594 -0.263,595 0.048,596 -0.044,597 0.188,598 -0.341,599 0.139,600 0.154,601 0.046,602 0.108,603 -0.061,604 0.123,605 -0.014,606 -0.091,607 -0.037,608 -0.068,609 -0.051,610 -0.13,611 -0.062,612 0.035,613 -0.001,614 0.095,615 -0.006,616 0.064,617 0.038,618 -0.124,619 0.136,620 -0.139,621 0.102,622 -0.108,623 0.013,624 0.003,625 -0.043,626 -0.032,627 -0.048,628 0.022,629 -0.04,630 -0.078,631 -0.225,632 -0.173,633 -0.296,634 -0.018,635 -0.256,636 -0.045,637 -0.243,638 -0.23,639 -0.323,640 -0.068,641 -0.32,642 1.67,643 3.83,644 0.846,645 19.941,646 1.02,647 1.127,648 2.443,649 5.967,650 0.7,651 3.401,652 3.761,653 4.043,654 4.369,655 4.673,656 4.82,657 4.997,658 5.165,659 5.288,660 5.252,661 5.233,662 0.692,663 346.38,664 3.401,665 4.963,666 5.826,667 6.727,668 7.612,669 8.521,670 9.417,671 10.33,672 11.232,673 12.147,674 15,678 2,684 4,689 2,690 8,691 4,695 8,697 23,708 2,713 2,716 40,718 23,719 2,720 29,722 43,723 18,724 18,725 4,726 8,728 4,729 5,740 18,756 1,757 1,760 14,761 8,762 6,763 8,769 6,775 0.75,776 2,784 1,788 1,794 4,798 1,819 3,827 26,828 2,832 2,850 5,852 2,858 13.333,859 7.033,860 5.556,861 2.09,863 4.41,864 1.585,865 0.998,866 3.88,867 11.946,868 3.726,869 4.425,870 5.075,871 5.749,872 6.417,873 6.84,874 7.373,875 7.9,876 8.391,877 8.697,878 1,879 44,880 9.529,881 4.18,882 7.987,883 17.529,884 14.367,885 2.487,886 64.667,889 1,890 94.169,891 95.781,892 132.936,894 85.367,897 95.781,898 179.536,899 132.936,902 141.604,903 152.509,904 15.744,905 4.227,906 94.169,908 94.169,909 228.718,910 85.367,913 95.884,914 85.367,917 9.557,918 150.303,919 67.142,921 94.169,922 218.303,923 95.781,926 94.169,927 19.971,928 75.81,930 218.303,931 94.169,932 218.303,933 95.781,935 0.591,936 0.339,937 0.192,938 0.113,939 22,940 10,941 0.047,942 2,943 1,944 1.091,945 3.637,946 235.083,947 0.091,948 22,949 112.211,954 16.21,955 6.224,956 3.048,957 0.554,958 218.303,959 13.226,960 17.142,964 2.499,966 151.161,967 408.253,968 40.5,980 40.8,981 45.069,983 0.315,984 0.643,985 0.765,986 0.868,987 0.878,988 0.897,989 4.961,990 1.411,991 5.832,992 5.438,993 4.443,994 5.112,996 6.671,997 4.356,998 6.212,999 1.236,1000 7.405,1001 3.928,1002 4.111,1003 5.007,1005 7.591,1006 3.968,1007 7.542,1008 1.08,1009 9.076,1010 3.058,1011 6.061,1012 7.417,1014 10.724,1015 5.9,1016 8.906,1017 1,1018 10.802,1019 2.53,1020 6.494,1021 8.089,1023 12.468,1024 6.282,1025 10.299,1026 0.087,1027 12.566,1028 2.497,1029 7.958,1030 9.993,1032 15.131,1033 7.727,1034 11.712,1035 -0.302,1036 14.356,1037 0.245,1038 8.76,1039 11.063,1041 17.239,1042 8.483,1043 13.143,1044 -0.404,1045 16.166,1046 -0.804,1047 10.025,1048 12.741,1050 19.729,1051 9.724,1052 3.234,1053 -0.42,1054 17.992,1055 -0.901,1056 11.008,1057 14.022,1059 21.999,1060 10.665,1061 2.895,1062 11.176,1063 19.831,1064 -1.023,1065 12.195,1066 15.597,1068 24.426,1069 11.822,1070 2.654,1071 9.753,1072 21.681,1073 4.578,1074 13.266,1075 16.989,1077 26.766,1078 12.853,1079 2.329,1080 8.121,1081 23.539,1082 3.974,1083 14.425,1084 18.52,1086 29.172,1087 13.978,1088 2.109,1089 6.384,1090 25.404,1091 3.67,1092 15.539,1093 19.969,1095 31.545,1096 15.053,1097 2.03,1098 5.993,1099 27.275,1100 3.237,1101 16.691,1102 21.483,1104 33.945,1105 16.17,1106 1.889,1107 5.823,1108 29.151,1109 2.888,1110 17.827,1111 22.963,1113 36.334,1114 17.267,1115 6705,1116 12062,1117 19.304,1118 27.989,1119 44.451,1120 43.771,1121 45.569,1122 43.99,1123 43.908,1124 61.301,1126 129.891,1127 41.928,1128 5.346,1129 5.248,1130 6.327,1131 5.279,1132 5.234,1133 7.578,1135 18.39,1136 5.116,1137 12.864,1138 1.533,1139 1.509,1140 1.571,1141 1.517,1142 1.514,1143 2.114,1145 4.479,1146 1.446,1147 4.091,1148 4.128,1149 4.075,1150 3.982,1151 6.473,1152 3.997,1153 3.852,1154 3.882,1155 3.805,1156 3.787,1157 6.468,1158 3.785,1159 3.845,1160 3.874,1161 3.793,1162 3.712,1163 5.34,1164 3.735,1165 3.378,1166 3.439,1167 3.336,1168 3.197,1169 4.99,1170 3.223,1171 3.104,1172 3.219,1173 3.003,1174 2.81,1175 4.887,1176 2.846,1177 2.946,1178 2.98,1179 2.846,1180 2.747,1181 4.591,1182 2.758,1183 2.936,1184 2.973,1185 2.819,1186 2.746,1187 4.555,1188 2.749,1189 2.872,1190 2.944,1191 2.757,1192 2.724,1193 4.15,1194 2.724,1195 0.16,1196 0.112,1197 0.234,1198 0.145,1199 0.112,1200 4.649,1201 0.158,1202 3.248,1204 6.774,1205 0.385,1206 4.196,1207 0.107,1208 3.234,1209 4.578,1211 11.176,1212 3.116,1213 2.008,1214 1.982,1215 2.064,1216 2.14,1217 1.164,1218 2.112,1219 1.847,1220 1.826,1221 1.957,1222 1.939,1223 1.03,1224 1.943,1225 1.786,1226 1.749,1227 1.845,1228 1.937,1229 0.844,1230 1.923,1231 1.286,1232 1.239,1233 1.397,1234 1.52,1235 0.407,1236 1.488,1237 0.989,1238 0.892,1239 1.263,1240 1.373,1241 0.185,1242 1.352,1243 0.883,1244 0.84,1245 1.142,1246 1.146,1247 0.144,1248 1.132,1249 0.883,1250 0.839,1251 1.138,1252 1.142,1253 0.106,1254 1.131,1255 0.845,1256 0.792,1257 1.059,1258 1.062,1260 1.071,1261 4.078,1263 5.425,1265 6.973,1267 8.617,1269 10.312,1275 11.587,1276 19.658,1289 27.665,1290 67.006,1291 136.877,1292 162.877,1293 184.877,1294 186.877,1295 190.877,1296 42.163,1297 7.536,1298 144.06,1299 144.06,1300 24,1301 12.661,1302 4.585,1303 3.644,1304 37.551,1305 80,1306 74,1307 0.231,1308 170.416,1309 281.46,1310 407.575,1311 17492,1313 18.259,1314 0.702,1315 0.518,1316 18.259,1317 13.457,1318 12.508,1319 0.431,1320 0.266,1321 7.597,1322 12.051,1323 7.471,1324 6.185,1325 12.508,1326 7.706,1327 11.841,1328 0.282,1329 0.135,1330 11.841,1331 5.661,1332 9.65,1333 0.172,1334 0.068,1335 9.65,1336 3.815,1337 8.595,1338 0.11,1339 0.035,1340 8.595,1341 2.695,1342 7.121,1343 0.067,1344 0.017,1345 7.121,1346 1.843,1347 0.345,1348 78.413,1349 0.228,1350 24.278,1351 0.696,1352 142,1353 433.504,1354 156.754,1355 431.088,1356 596.14,1357 400,1358 169,1359 455.018,1360 183.285,1361 462.753,1362 679.33,1363 436,1364 5}
{0 CHEMBL230686,1 1.613,2 15.529,3 7.337,4 53.833,5 138.534,6 8.381,7 0.605,8 4.185,9 4.298,10 3.862,11 3.779,12 5.258,13 3.75,14 4.724,15 4.89,16 4.247,17 4.179,18 5.758,19 4.128,20 4.974,21 5.177,22 4.332,23 4.31,24 5.972,25 4.221,26 4.964,27 5.185,28 4.369,29 4.268,30 5.968,31 4.162,32 4.916,33 5.134,34 4.168,35 4.177,36 5.918,37 4.079,38 4.82,39 5.048,40 4.18,41 4.09,42 5.85,43 4.015,44 4.714,45 4.909,46 4.083,47 4.06,48 5.807,49 3.963,50 4.668,51 4.896,52 3.771,53 3.961,54 5.581,55 3.829,56 0.048,57 0.861,58 10.17,59 5.097,60 7.952,61 6.552,62 0.227,63 1.408,64 21.566,65 8.915,66 21.387,67 11.525,68 0.419,69 1.683,70 34.125,71 11.958,72 37.181,73 15.557,74 0.366,75 1.608,76 40.387,77 12.467,78 45.081,79 16.363,80 0.421,81 1.533,82 37.459,83 11.519,84 44.923,85 14.952,86 0.452,87 1.444,88 30.361,89 9.349,90 42.351,91 12.289,92 0.496,93 1.268,94 31.096,95 9.115,96 46.405,97 12.126,98 0.221,99 1.256,100 22.616,101 9.232,102 26.744,103 12.712,104 10,105 53,106 0.259,107 0.585,108 0.748,109 0.824,110 0.824,111 0.824,112 3.56,113 0.958,114 -6,115 -5.85,116 -5.44,118 44.1,119 1,120 2,124 4,138 9,139 3,140 4,142 2,146 1,161 1,167 10,170 1,171 6,173 2,175 2,178 14,181 2,182 8,184 1,186 2,188 12,192 10,197 1,199 14,204 14,206 1,208 3,211 6,215 8,220 1,223 7,227 2,228 9,233 1,235 13,239 1,240 2,243 1,247 12,252 1,257 4,260 4,264 2202,265 23.239,266 23.239,267 23.239,268 23.239,269 23.239,270 20.438,271 26.835,272 13.736,273 23.906,274 18.782,275 18.782,276 18.782,277 18.782,278 18.782,279 14.613,280 34.787,281 6.563,282 19.976,283 4.27,284 2.244,285 1.234,286 0.759,287 0.759,288 0.759,289 4.269,290 2,294 1,295 1167,296 3.082,299 112.717,300 424.343,304 161.851,307 2.678,308 24.914,311 0.75,312 0.67,313 1,314 0.8,315 0.5,316 1,317 1,318 0.82,319 72.167,320 528,321 4.605,322 3.397,323 6.749,324 4.157,325 3.19,326 4.526,327 0.86,328 10.965,329 3.083,330 4.365,331 3.108,332 6.459,333 3.9,334 2.957,335 4.074,336 0.8,337 9.979,338 2.767,339 4.059,340 2.949,341 5.6,342 3.646,343 2.689,344 3.652,345 0.4,346 7.728,347 2.572,348 3.735,349 2.83,350 5.364,351 3.469,352 2.543,353 3.175,355 7.03,356 2.355,357 3.544,358 2.673,359 5.309,360 3.309,361 2.382,362 2.812,364 6.877,365 2.199,366 3.45,367 2.623,368 5.127,369 3.031,370 2.078,371 2.779,373 6.066,374 1.973,375 3.411,376 2.244,377 5.067,378 2.96,379 1.986,380 2.577,382 5.801,383 1.911,384 3.267,385 2.139,386 4.9,387 2.809,388 1.879,389 2.524,391 5.562,392 1.753,393 3.232,394 1.972,395 4.841,396 2.707,397 1.861,398 2.481,400 5.104,401 1.441,402 2.722,403 1.612,404 3.93,405 2.381,406 1.414,407 1.828,409 3.038,410 1.361,411 2.5,412 1.318,413 3.648,414 2.221,415 1.24,416 1.5,417 3.008,418 1.204,419 2.451,420 1.207,421 3.609,422 2,423 1,424 1.449,425 2.446,426 1,427 2.426,428 1.1,429 3.414,430 1.937,431 0.982,432 1.395,433 2.275,434 0.929,435 1.995,436 1,437 3.226,438 1.863,439 0.94,440 0.977,441 2.074,442 0.86,443 1.618,444 0.744,445 3.035,446 1.591,447 0.618,448 0.618,449 1.372,450 0.6,451 16.762,452 0.493,453 0.78,454 0.023,455 45.25,456 1.331,457 23,458 0.676,459 22.25,460 0.654,461 30.076,462 0.885,463 35.438,464 0.601,465 33.379,466 0.982,467 8.68,468 0.255,469 7.883,470 0.232,471 0.115,473 0.322,478 0.715,479 1.234,480 0.577,481 0.931,482 0.642,483 0.874,484 0.925,485 1.06,486 0.666,487 0.862,488 0.628,489 0.866,490 1.105,491 1.005,492 0.893,493 0.902,494 0.911,495 0.935,496 0.998,497 1.071,498 0.839,499 0.908,500 0.888,501 0.902,502 1.289,503 1.111,504 1.111,505 1.013,506 1.257,507 0.979,508 1.275,509 0.941,510 0.781,511 0.704,512 1.071,513 0.76,514 0.867,515 1.034,516 1.235,517 1.17,518 0.989,519 1.108,520 0.555,521 1.102,522 0.7,523 1.075,524 0.735,525 1.139,526 6.5,527 0.177,528 3.333,529 2.347,530 1.778,531 1.108,532 0.876,533 0.375,534 0.312,535 0.2,536 20389,537 52976,538 2.145,539 42.4,540 3,541 17,544 1,546 4,549 1.752,550 2.04,551 3.841,552 -0.363,558 95.158,559 1.613,560 3.638,561 4.649,562 5.124,563 5.124,564 5.124,565 3.329,566 4.337,567 5.052,568 4.093,569 2295.9,570 8.821,571 37302.6,576 347.076,577 1.286,578 5.033,579 0.171,580 0.007,581 0.063,582 0.044,583 0.036,584 0.025,585 0.02,586 0.009,587 0.01,588 0.008,589 0.394,590 0.17,591 0.63,592 0.459,593 186.743,594 0.023,595 -0.089,596 0.028,597 -0.036,598 0.013,599 0.003,600 0.007,601 0.034,602 0.048,603 0.048,604 0.138,605 0.037,606 -0.041,607 0.02,608 0.004,609 0.049,610 0.047,611 0.01,612 0.013,613 -0.095,614 0.171,615 0.08,616 0.159,617 0.084,618 -0.113,619 -0.124,620 -0.074,621 -0.036,622 -0.107,623 -0.014,624 -0.107,625 0.115,626 0.109,627 0.216,628 0.005,629 0.166,630 0.164,631 -0.002,632 -0.141,633 -0.192,634 0.132,635 -0.155,636 0.088,637 -0.104,638 -0.025,639 -0.133,640 -0.04,641 -0.155,642 1.234,643 2.379,644 0.794,645 48.664,646 1.003,647 1.121,648 4.766,649 22.718,650 0.705,651 3.664,652 3.989,653 4.263,654 4.533,655 4.727,656 4.82,657 4.977,658 5.136,659 5.273,660 5.361,661 9.001,662 0.666,663 494.46,664 3.664,665 5.209,666 6.061,667 6.938,668 7.803,669 8.685,670 9.556,671 10.441,672 11.317,673 12.206,674 8.5,677 1,682 1,684 3,687 1,689 2,690 9,691 3,695 8,697 23,709 1,714 1,715 2,716 59,718 23,719 3,720 38,722 63,723 26,724 19,725 9,726 9,728 5,729 6,730 2,732 1,735 2,738 2,740 19,741 7,760 25,761 6,762 1,763 8,764 2,769 5,775 0.8,776 1,790 1,793 1,794 4,798 1,816 1,819 4,823 1,824 2,827 34,833 6,834 1,835 1,838 1,849 2,850 1.7,855 1,858 16.667,859 11.002,860 7.389,861 3.702,863 4.389,864 1.522,865 1.012,866 7.047,867 12.801,868 3.922,869 4.549,870 5.15,871 5.764,872 6.36,873 6.694,874 7.178,875 7.68,876 8.147,877 8.487,878 1,879 53,880 12.532,881 5.322,882 7.585,883 24.309,884 20.14,885 2.085,886 70.889,890 282.506,891 140.835,892 71.247,893 78.297,894 11,897 140.835,898 371.804,899 71.247,900 8.825,901 15.979,902 85.286,903 50.112,904 60.981,905 1.899,906 282.506,907 78.297,908 282.506,909 212.082,910 11,911 78.297,913 235.422,914 58.084,917 52.126,918 109.844,919 128.409,921 282.506,922 82.246,923 219.133,926 282.506,927 46.724,928 97.236,929 18.011,930 139.409,931 282.506,932 82.246,933 219.133,935 0.582,936 0.34,937 0.186,938 0.094,939 26,940 11,941 0.111,942 7,943 1,944 1.074,945 4.68,946 313.918,947 0.074,948 27,949 158.974,954 23.159,955 10.346,956 5.405,957 1.449,958 82.246,959 17.204,960 13.331,964 5.96,966 18.011,967 583.886,968 49.5,980 59.203,981 66.156,983 0.274,984 0.618,985 0.79,986 0.871,987 0.871,988 0.871,989 5.158,990 1.879,991 6.038,992 5.801,993 4.673,994 5.236,995 1.324,996 6.834,997 4.554,998 6.362,999 1.861,1000 7.584,1001 5.562,1002 4.205,1003 5.047,1004 0.325,1005 7.689,1006 3.981,1007 7.669,1008 1.414,1009 9.229,1010 5.104,1011 6.252,1012 7.468,1013 0.958,1014 10.797,1015 6.037,1016 9.012,1017 1.24,1018 10.933,1019 3.038,1020 6.608,1021 8.11,1022 0.268,1023 12.51,1024 6.305,1025 10.386,1026 1,1027 12.677,1028 3.008,1029 8.101,1030 10.006,1031 0.736,1032 15.134,1033 7.801,1034 11.784,1035 0.982,1036 14.449,1037 2.446,1038 8.852,1039 11.059,1040 0.188,1041 17.223,1042 8.481,1043 13.201,1044 0.94,1045 16.243,1046 2.275,1047 10.12,1048 12.73,1049 0.57,1050 19.682,1051 9.739,1052 3.19,1053 0.618,1054 18.055,1055 2.074,1056 11.066,1057 13.997,1058 0.125,1059 21.936,1060 10.629,1061 2.957,1062 10.965,1063 19.882,1064 1.372,1065 12.244,1066 15.565,1067 0.439,1068 24.337,1069 11.787,1070 2.689,1071 9.979,1072 21.721,1073 4.526,1074 13.286,1075 16.943,1076 0.082,1077 26.661,1078 12.784,1079 2.543,1080 7.728,1081 23.569,1082 4.074,1083 14.43,1084 18.465,1085 0.334,1086 29.043,1087 13.902,1088 2.382,1089 7.03,1090 25.427,1091 3.652,1092 15.519,1093 19.9,1094 0.054,1095 31.397,1096 14.953,1097 2.078,1098 6.877,1099 27.291,1100 3.175,1101 16.653,1102 21.403,1103 0.252,1104 33.775,1105 16.059,1106 1.986,1107 6.066,1108 29.161,1109 2.812,1110 17.766,1111 22.867,1112 0.035,1113 36.143,1114 17.138,1115 18794,1116 30665,1117 25.948,1118 41.574,1119 56.318,1120 57.394,1121 57.368,1122 56.7,1123 56.325,1124 73.711,1125 4.12,1126 160.697,1127 52.74,1128 5.564,1129 5.397,1130 6.407,1131 5.243,1132 5.19,1133 7.526,1134 1.72,1135 17.862,1136 5.083,1137 13.666,1138 1.482,1139 1.51,1140 1.51,1141 1.492,1142 1.482,1143 1.94,1144 0.108,1145 4.229,1146 1.388,1147 4.097,1148 4.128,1149 4.152,1150 4.024,1151 5.174,1152 4.028,1153 3.919,1154 3.954,1155 3.965,1156 3.83,1157 5.001,1158 3.833,1159 3.855,1160 3.906,1161 3.842,1162 3.77,1163 4.848,1164 3.769,1165 3.822,1166 3.855,1167 3.711,1168 3.678,1169 4.632,1170 3.675,1171 3.446,1172 3.507,1173 3.582,1174 3.233,1175 4.47,1176 3.258,1177 3.363,1178 3.433,1179 3.379,1180 3.172,1181 4.384,1182 3.176,1183 3.19,1184 3.261,1185 3.216,1186 3.059,1187 4.263,1188 3.045,1189 2.977,1190 3.035,1191 3.07,1192 2.849,1193 4.122,1194 2.831,1195 0.121,1196 0.089,1197 0.178,1198 0.109,1199 0.084,1200 4.605,1201 0.119,1202 3.397,1203 0.023,1204 6.749,1205 0.289,1206 4.157,1207 0.081,1208 3.19,1209 4.526,1210 0.86,1211 10.965,1212 3.083,1213 2.036,1214 2.016,1215 2.088,1216 2.135,1217 1.246,1218 2.121,1219 1.884,1220 1.86,1221 1.988,1222 1.993,1223 1.211,1224 1.993,1225 1.808,1226 1.786,1227 1.882,1228 1.894,1229 1.152,1230 1.901,1231 1.591,1232 1.517,1233 1.86,1234 1.827,1235 1.055,1236 1.833,1237 1.577,1238 1.507,1239 1.826,1240 1.751,1241 1,1242 1.793,1243 1.332,1244 1.266,1245 1.556,1246 1.578,1247 0.787,1248 1.568,1249 1.209,1250 1.143,1251 1.509,1252 1.446,1253 0.607,1254 1.468,1255 1.172,1256 1.101,1257 1.374,1258 1.376,1259 0.375,1260 1.4,1261 4.344,1263 5.666,1264 2.398,1265 7.18,1266 4.443,1267 8.786,1268 6.26,1269 10.443,1271 1.989,1272 12.789,1277 6.623,1278 3.225,1279 5.879,1282 2.438,1289 39.272,1290 95.158,1291 214.659,1292 274.282,1293 302.321,1294 302.321,1295 302.321,1296 49.996,1297 8.412,1298 63.17,1299 63.17,1300 29,1301 12.738,1302 4.585,1303 3.644,1304 50.511,1305 184,1306 188,1307 0.132,1308 245.636,1309 418.13,1310 591.113,1311 63294,1312 3.4,1313 23.493,1314 0.691,1315 0.6,1316 24.493,1317 20.404,1318 16.564,1319 0.436,1320 0.319,1321 11.319,1322 15.486,1323 10.991,1324 9.067,1325 17.141,1326 12.14,1327 14.978,1328 0.283,1329 0.175,1330 15.72,1331 9.254,1332 12.678,1333 0.181,1334 0.095,1335 13.351,1336 6.617,1337 10.873,1338 0.118,1339 0.053,1340 11.726,1341 4.861,1342 8.262,1343 0.074,1344 0.025,1345 8.633,1346 2.78,1347 0.216,1348 108.978,1349 0.196,1350 32.355,1351 0.338,1352 182,1353 501.056,1354 226.379,1355 550.435,1356 747.64,1357 516,1358 214,1359 519.825,1360 251.622,1361 546.118,1362 801.03,1363 515,1364 7.195}
{0 CHEMBL2309006,1 1.547,2 7.727,3 3.097,4 9.588,5 120.91,6 8.139,7 0.6,8 4.166,9 4.257,10 3.825,11 3.754,12 5.256,13 3.76,14 4.761,15 4.88,16 4.355,17 4.261,18 5.837,19 4.266,20 5.105,21 5.244,22 4.581,23 4.502,24 6.247,25 4.5,26 5.272,27 5.421,28 4.66,29 4.645,30 6.369,31 4.624,32 5.354,33 5.532,34 4.675,35 4.696,36 6.412,37 4.657,38 5.343,39 5.511,40 4.583,41 4.661,42 6.447,43 4.604,44 5.32,45 5.527,46 4.257,47 4.47,48 6.426,49 4.363,50 5.075,51 5.343,52 3.604,53 4.018,54 6.113,55 3.844,56 0.099,57 0.784,58 9.631,59 4.91,60 17.601,61 5.507,62 0.341,63 1.418,64 19.436,65 8.823,66 35.052,67 10.31,68 0.718,69 1.945,70 30.363,71 12.462,72 77.919,73 14.241,74 0.757,75 2.287,76 36.384,77 14.993,78 73.412,79 17.333,80 0.663,81 2.483,82 41.505,83 17.22,84 56.009,85 21.179,86 0.509,87 2.417,88 39.468,89 17.223,90 55.808,91 20.833,92 0.759,93 2.258,94 43.8,95 17.535,96 98.068,97 21.867,98 0.716,99 1.704,100 40.317,101 14.344,102 102.389,103 18.88,104 18,105 67,106 0.249,107 0.619,108 0.763,109 0.835,110 0.859,111 0.883,112 3.535,113 0.847,114 -3.29,115 -3.28,116 -3.14,118 48.1,119 1,120 1,124 2,127 1,128 1,129 1,138 8,139 6,148 4,153 1,167 13,170 2,171 11,173 1,175 3,178 14,181 1,182 11,184 2,185 1,186 4,188 14,192 15,195 3,197 3,199 16,203 1,204 12,206 3,208 5,211 21,214 1,215 9,220 13,223 18,227 1,228 4,231 1,233 14,235 11,240 2,244 1,245 5,247 9,255 1,256 1,257 1,260 4,264 1301,265 22.786,266 22.786,267 22.786,268 22.786,269 22.786,270 20.109,271 22.317,272 12.437,273 23.145,274 19.686,275 19.686,276 19.686,277 19.686,278 19.686,279 15.274,280 33.429,281 5.793,282 20.376,283 4.207,284 1.911,285 1.014,286 0.57,287 0.421,288 0.273,289 4.275,293 1,294 1,295 598,296 3.742,299 107.303,300 102.591,301 33.756,302 42.206,303 238.345,304 98.475,305 169.706,306 368.985,307 1.025,308 40.781,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 71.5,320 255,321 5.167,322 4.216,323 8.578,324 4.888,325 3.95,326 5.287,327 1.157,328 17.076,329 3.709,330 4.839,331 3.743,332 7.514,333 4.519,334 3.541,335 4.711,336 1.081,337 13.895,338 3.461,339 4.621,340 3.401,341 7.068,342 4.173,343 3.205,344 4.017,345 0.473,346 12.128,347 3.106,348 4.243,349 3.28,350 6.721,351 3.89,352 2.912,353 3.728,354 0.297,355 10.751,356 2.842,357 3.864,358 2.802,359 6.325,360 3.386,361 2.428,362 3.484,364 9.099,365 2.344,366 3.687,367 2.622,368 6.05,369 3.362,370 2.392,371 3.086,373 8.432,374 2.292,375 3.523,376 2.507,377 5.903,378 3.181,379 2.232,380 2.849,382 7.831,383 2.111,384 3.4,385 2.32,386 5.647,387 3.021,388 2.037,389 2.668,391 6.962,392 1.991,393 3.066,394 1.989,395 5.228,396 2.707,397 1.742,398 2.168,400 5.578,401 1.667,402 2.886,403 1.703,404 4.884,405 2.433,406 1.453,407 2.04,409 4.482,410 1.422,411 2.863,412 1.513,413 4.715,414 2.419,415 1.433,416 1.976,417 4.192,418 1.405,419 2.817,420 1.399,421 4.075,422 2.379,423 1.381,424 1.922,425 3.037,426 1.376,427 2.631,428 1.286,429 3.877,430 2.175,431 1.19,432 1.676,433 2.904,434 1.17,435 2.223,436 1.147,437 3.713,438 1.925,439 0.966,440 1.163,441 2.683,442 0.923,443 2.062,444 1.134,445 3.63,446 1.632,447 0.655,448 0.887,449 1.776,450 0.637,451 15.533,452 0.471,453 1.119,454 0.034,455 42.75,456 1.295,457 19.5,458 0.591,459 23.25,460 0.705,461 34.432,462 1.043,463 33.667,464 0.623,465 36.631,466 1.11,467 8.087,468 0.245,469 7.896,470 0.239,471 0.097,472 0.064,473 0.438,478 0.873,479 1.118,480 0.699,481 0.879,482 0.808,483 0.775,484 0.825,485 1.051,486 0.693,487 0.845,488 0.691,489 0.759,490 1.093,491 0.987,492 0.858,493 0.84,494 0.862,495 0.806,496 1.119,497 1.032,498 0.986,499 0.932,500 0.985,501 0.929,502 0.889,503 0.944,504 0.887,505 0.946,506 0.753,507 0.918,508 0.949,509 1.184,510 1.091,511 1.231,512 0.858,513 1.195,514 1.025,515 1.148,516 1.246,517 1.279,518 1.134,519 1.305,520 1.099,521 0.946,522 1.221,523 1.106,524 1.371,525 1.179,526 6,528 5.333,529 5.167,530 3.731,531 2.737,532 2.031,533 0.847,534 0.293,535 0.06,536 12383,537 30965,538 2.278,539 38.9,541 12,542 1,544 3,547 3,548 2,549 1.769,550 2.106,551 2.893,552 0.802,554 1,558 83.559,559 1.547,560 3.843,561 4.741,562 5.185,563 5.334,564 5.482,565 2.28,566 4.681,567 5.021,568 2.988,569 1577.92,570 8.884,571 20584.4,573 1,576 310.764,577 1.668,578 4.965,579 0.15,581 0.08,582 0.063,583 0.042,584 0.031,585 0.026,586 0.017,587 0.013,588 0.007,589 0.428,590 0.5,591 0.88,592 0.675,593 162.632,594 -0.104,595 -0.042,596 0.043,597 0.07,598 -0.137,599 0.081,600 0.047,601 0.028,602 0.121,603 0.097,604 -0.033,605 0.114,606 0.007,607 0.063,608 0.036,609 0.103,610 0.026,611 0.081,612 -0.077,613 0.006,614 -0.084,615 0.019,616 -0.078,617 -0.024,618 -0.006,619 0.069,620 0.045,621 0.027,622 0.009,623 0.043,624 -0.066,625 -0.193,626 -0.176,627 -0.255,628 -0.005,629 -0.238,630 -0.033,631 -0.213,632 -0.226,633 -0.282,634 -0.023,635 -0.29,636 -0.063,637 -0.06,638 -0.069,639 -0.083,640 -0.09,641 -0.079,642 2.727,643 6.164,644 0.848,645 22.498,646 1.011,647 1.112,648 2.064,649 4.261,650 0.698,651 3.714,652 4.22,653 4.718,654 5.204,655 5.635,656 6.038,657 6.441,658 6.798,659 7.076,660 7.337,661 4.824,662 0.679,663 439.5,664 3.714,665 5.371,666 6.347,667 7.349,668 8.351,669 9.363,670 10.374,671 11.39,672 12.405,673 13.422,674 5.6,681 1,682 2,689 8,690 8,695 2,696 2,697 24,704 1,716 54,718 25,719 3,720 40,722 61,723 26,724 18,725 10,726 8,727 1,728 8,729 80,732 2,735 2,736 1,738 2,740 19,741 7,742 1,744 1,749 1,753 1,757 1,760 21,761 5,762 3,763 7,769 3,775 0.125,776 4,777 1,779 1,781 1,789 2,793 4,794 3,795 1,796 1,797 5,798 2,799 3,800 6,817 2,818 1,819 1,823 1,827 33,832 2,833 3,834 1,835 1,837 1,839 2,850 7.4,851 2,853 1,854 1,858 15.667,859 10.133,860 6.715,861 3.335,863 5.324,864 1.509,865 1.053,866 3.14,867 15.789,868 3.989,869 4.779,870 5.608,871 6.449,872 7.231,873 7.937,874 8.655,875 9.327,876 9.884,877 10.444,878 1,879 82,880 12.431,881 6.082,882 7.732,883 23.765,884 22.398,885 2.232,886 73.667,889 1,890 211.88,891 119.22,892 21.809,894 121.512,897 119.22,898 333.391,899 21.809,900 8.825,901 22.651,902 161.177,903 40.849,904 20.461,905 20.348,906 200.109,908 211.88,909 141.029,910 121.512,913 176.567,914 60.458,915 96.367,917 35.274,918 105.754,921 211.88,922 143.32,923 119.22,926 211.88,927 34.584,928 88.433,929 18.011,930 121.512,931 211.88,932 143.32,933 119.22,935 0.617,936 0.402,937 0.244,938 0.147,939 44,940 18,941 0.016,942 1,943 10,944 1.607,945 3.91,946 416.917,947 0.714,948 25,949 166.465,954 18.522,955 5.594,956 1.829,957 7.694,958 139.522,959 16.104,964 1.713,965 4.203,966 103.377,967 474.42,968 53,973 13.164,977 -0.056,980 54.567,981 60.069,983 0.269,984 0.668,985 0.824,986 0.901,987 0.927,988 0.953,989 5.338,990 2.037,991 6.435,992 7.831,993 4.905,994 5.468,995 1.893,996 7.505,997 4.834,998 6.64,999 1.742,1000 8.157,1001 6.962,1002 4.89,1003 5.645,1005 9.032,1006 4.765,1007 8.052,1008 1.453,1009 9.995,1010 5.578,1011 6.792,1012 7.938,1013 2.006,1014 12.272,1015 6.638,1016 9.507,1017 1.433,1018 11.906,1019 4.482,1020 7.611,1021 8.954,1023 14.629,1024 7.394,1025 10.999,1026 1.381,1027 13.864,1028 4.192,1029 9.076,1030 10.788,1031 2.199,1032 17.511,1033 8.823,1034 12.517,1035 1.19,1036 15.858,1037 3.037,1038 10.22,1039 12.165,1041 20.164,1042 9.902,1043 14.056,1044 0.966,1045 17.879,1046 2.904,1047 11.571,1048 13.851,1049 2.413,1050 22.975,1051 11.207,1052 3.95,1053 0.655,1054 19.921,1055 2.683,1056 12.835,1057 15.382,1059 25.733,1060 12.408,1061 3.541,1062 17.076,1063 21.98,1064 1.776,1065 14.165,1066 17.027,1067 2.637,1068 28.541,1069 13.683,1070 3.205,1071 13.895,1072 24.055,1073 5.287,1074 15.476,1075 18.622,1077 31.338,1078 14.93,1079 2.912,1080 12.128,1081 26.141,1082 4.711,1083 16.81,1084 20.26,1085 2.87,1086 34.154,1087 16.204,1088 2.428,1089 10.751,1090 28.237,1091 4.017,1092 18.142,1093 21.884,1095 36.969,1096 17.471,1097 2.392,1098 9.099,1099 30.342,1100 3.728,1101 19.483,1102 23.524,1103 3.109,1104 39.792,1105 18.749,1106 2.232,1107 8.432,1108 32.453,1109 3.484,1110 20.827,1111 25.162,1113 42.616,1114 20.028,1115 11023,1116 17519,1117 27.164,1118 37.688,1119 65.351,1120 66.741,1121 68.402,1122 64.967,1123 65.008,1124 85.638,1125 6.016,1126 225.989,1127 62.704,1128 6.094,1129 6.216,1130 8.256,1131 6.014,1132 5.95,1133 8.287,1134 2.315,1135 26.593,1136 5.709,1137 14.183,1138 1.634,1139 1.669,1140 1.71,1141 1.624,1142 1.625,1143 2.141,1144 0.15,1145 5.65,1146 1.568,1147 4.369,1148 4.392,1149 4.355,1150 4.288,1151 7.429,1152 4.301,1153 4.016,1154 4.043,1155 3.984,1156 3.951,1157 6.497,1158 3.956,1159 3.851,1160 3.874,1161 3.791,1162 3.698,1163 6.402,1164 3.716,1165 3.722,1166 3.756,1167 3.654,1168 3.622,1169 5.083,1170 3.623,1171 3.447,1172 3.491,1173 3.371,1174 3.277,1175 4.809,1176 3.296,1177 3.307,1178 3.372,1179 3.208,1180 3.166,1181 4.562,1182 3.169,1183 3.179,1184 3.234,1185 3.026,1186 2.976,1187 4.426,1188 2.964,1189 3.08,1190 3.134,1191 2.958,1192 2.902,1193 4.082,1194 2.916,1195 0.129,1196 0.105,1197 0.214,1198 0.122,1199 0.099,1200 5.167,1201 0.132,1202 4.216,1203 0.029,1204 8.578,1205 0.427,1206 4.888,1207 0.093,1208 3.95,1209 5.287,1210 1.157,1211 17.076,1212 3.709,1213 2.037,1214 2.029,1215 2.08,1216 2.081,1217 1.367,1218 2.073,1219 1.937,1220 1.914,1221 2.027,1222 2.047,1223 1.279,1224 2.042,1225 1.917,1226 1.883,1227 1.995,1228 2.024,1229 1.176,1230 2.024,1231 1.622,1232 1.593,1233 1.788,1234 1.791,1235 1.021,1236 1.786,1237 1.473,1238 1.427,1239 1.678,1240 1.704,1241 0.907,1242 1.694,1243 1.351,1244 1.294,1245 1.567,1246 1.637,1247 0.755,1248 1.615,1249 1.218,1250 1.181,1251 1.427,1252 1.442,1253 0.568,1254 1.438,1255 1.039,1256 0.982,1257 1.271,1258 1.275,1259 0.422,1260 1.287,1261 4.394,1263 5.855,1264 3.714,1265 7.523,1266 6.304,1267 9.29,1268 8.608,1269 11.114,1271 1.867,1276 22.117,1277 0.278,1278 3.05,1279 6.686,1281 -0.487,1283 -2.667,1289 36.665,1290 83.559,1291 207.545,1292 256.009,1293 280.009,1294 288.009,1295 296.009,1296 56.6,1297 10.465,1298 88.65,1299 88.65,1300 45,1301 13.871,1302 4.7,1303 3.807,1304 36.592,1305 101,1306 91,1307 0.195,1308 208.118,1309 346.74,1310 499.568,1311 536347,1313 22.275,1314 0.675,1315 0.543,1316 22.275,1317 17.923,1318 15.983,1319 0.4,1320 0.282,1321 11.14,1322 15.441,1323 10.929,1324 8.821,1325 15.983,1326 11.287,1327 15.933,1328 0.238,1329 0.144,1330 15.933,1331 9.672,1332 15.77,1333 0.142,1334 0.074,1335 15.77,1336 8.234,1337 15.019,1338 0.083,1339 0.037,1340 15.019,1341 6.732,1342 13.834,1343 0.05,1344 0.019,1345 13.834,1346 5.24,1347 0.28,1348 99.877,1349 0.192,1350 28.323,1351 0.639,1352 214,1353 539.394,1354 233.73,1355 518.616,1356 746.46,1357 490,1358 285,1359 587.334,1360 307.921,1361 590.154,1362 917.05,1363 563,1364 5.081}
{0 CHEMBL2309609,1 1.495,2 10.884,3 5.28,4 27.873,5 161.613,6 7.818,7 0.588,8 4.432,9 4.533,10 4.067,11 4.023,12 5.496,13 4.016,14 5.025,15 5.167,16 4.544,17 4.493,18 6.056,19 4.483,20 5.333,21 5.485,22 4.773,23 4.738,24 6.359,25 4.721,26 5.534,27 5.691,28 4.914,29 4.904,30 6.564,31 4.88,32 5.692,33 5.865,34 4.973,35 5.013,36 6.721,37 4.969,38 5.784,39 5.982,40 4.947,41 5.063,42 6.789,43 4.989,44 5.803,45 6.024,46 4.802,47 5.003,48 6.787,49 4.902,50 5.655,51 5.887,52 4.571,53 4.828,54 6.63,55 4.71,56 0.025,57 1.045,58 13.58,59 6.639,60 11.439,61 8.089,62 0.432,63 1.864,64 28.35,65 11.59,66 33.192,67 14.33,68 0.591,69 2.488,70 40.031,71 16.026,72 47.117,73 19.605,74 0.59,75 3.015,76 49.661,77 19.899,78 68.572,79 24.119,80 0.87,81 3.522,82 59.91,83 23.293,84 83.434,85 28.77,86 0.845,87 3.793,88 68.123,89 27.096,90 96.013,91 34.924,92 0.914,93 3.759,94 73.598,95 28.599,96 122.862,97 37.189,98 0.723,99 3.236,100 64.383,101 24.864,102 97.084,103 32.687,104 27,105 81,106 0.226,107 0.55,108 0.729,109 0.82,110 0.857,111 0.873,112 3.789,113 0.868,114 -4.65,115 -4.57,116 -4.3,118 47.9,119 1,120 1,123 2,124 1,126 2,127 1,129 1,138 13,139 7,148 4,153 2,167 19,170 3,171 14,173 1,175 2,178 20,181 4,182 16,186 2,188 16,191 3,192 22,197 2,199 18,203 3,204 18,206 2,208 2,211 21,214 4,215 25,220 4,223 21,227 1,228 22,231 1,233 4,235 15,240 19,243 1,247 18,251 2,252 10,255 1,260 23,264 2814,265 29.799,266 29.799,267 29.799,268 29.799,269 29.799,270 26.304,271 30.079,272 16.787,273 30.356,274 25.135,275 25.135,276 25.135,277 25.135,278 25.135,279 19.497,280 44.101,281 7.85,282 25.984,283 4.695,284 2.551,285 1.37,286 0.766,287 0.524,288 0.415,289 4.529,294 1,295 1091,296 4.301,299 117.954,300 292.693,301 48.012,303 428.391,304 142.616,305 80.078,306 647.113,307 1.484,308 43.775,311 0.75,312 0.67,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.75,319 92,320 468,321 5.131,322 4.04,323 8.023,324 4.733,325 3.789,326 5.285,327 1.2,328 15.525,329 3.603,330 4.749,331 3.739,332 7.445,333 4.427,334 3.461,335 4.71,336 1.157,337 13.614,338 3.318,339 4.521,340 3.685,341 6.996,342 4.161,343 3.195,344 3.954,345 1.081,346 11.917,347 3.089,348 4.265,349 3.376,350 6.686,351 3.971,352 2.997,353 3.728,354 0.86,355 10.657,356 2.92,357 4.164,358 3.251,359 6.556,360 3.829,361 2.846,362 3.608,363 0.473,364 10.109,365 2.791,366 3.861,367 2.781,368 6.122,369 3.474,370 2.503,371 3.413,372 0.297,373 8.641,374 2.417,375 3.73,376 2.684,377 6.05,378 3.375,379 2.4,380 3.062,381 0.293,382 8.415,383 2.342,384 3.548,385 2.551,386 5.872,387 3.227,388 2.274,389 2.88,391 7.822,392 2.15,393 3.515,394 2.334,395 5.689,396 3.078,397 2.086,398 2.804,400 7.135,401 2.064,402 3.28,403 2.204,404 5.368,405 2.851,406 1.875,407 2.536,409 5.862,410 1.827,411 3.078,412 2.048,413 5.049,414 2.695,415 1.723,416 2.206,417 5.157,418 1.668,419 2.934,420 1.976,421 4.776,422 2.538,423 1.575,424 2.1,425 4.576,426 1.508,427 2.867,428 1.705,429 4.719,430 2.429,431 1.436,432 1.998,433 4.263,434 1.419,435 2.856,436 1.522,437 4.126,438 2.38,439 1.381,440 1.96,441 3.115,442 1.378,443 2.677,444 1.399,445 4.035,446 2.291,447 1.334,448 1.735,449 3.029,450 1.269,451 20.433,452 0.475,453 1.252,454 0.029,455 56.75,456 1.32,457 27,458 0.628,459 29.75,460 0.692,461 48.198,462 1.121,463 43.767,464 0.6,465 54.516,466 1.268,467 11.085,468 0.258,469 9.85,470 0.229,471 0.106,472 0.024,473 0.45,478 0.753,479 1.239,480 0.699,481 0.997,482 0.577,483 0.863,484 0.972,485 0.994,486 0.77,487 0.8,488 0.617,489 0.757,490 1.129,491 1.017,492 0.863,493 0.884,494 0.809,495 0.836,496 1.278,497 1.087,498 0.951,499 0.968,500 1.15,501 0.918,502 1.218,503 1.054,504 1.055,505 1.012,506 0.954,507 1.003,508 0.979,509 1.088,510 1.037,511 1.082,512 0.821,513 1.069,514 1.065,515 1.038,516 1.087,517 1.073,518 1.104,519 1.084,520 1.045,521 1.016,522 1.122,523 1.093,524 1.017,525 1.115,526 6.5,527 0.252,528 5.778,529 5.528,530 4.473,531 3.053,532 2.468,533 1.458,534 0.89,535 0.532,536 26543,537 63347,538 2.243,539 41.1,541 23,542 1,544 1,547 3,548 2,549 1.829,550 2.089,551 3.324,552 -0.438,558 109.126,559 1.495,560 3.639,561 4.82,562 5.424,563 5.666,564 5.775,565 2.751,566 5.101,567 5.395,568 3.484,569 3146.34,570 9.625,571 49138.1,576 451.857,577 1.534,578 5.355,579 0.127,580 0.006,581 0.071,582 0.055,583 0.039,584 0.026,585 0.022,586 0.015,587 0.012,588 0.009,589 0.384,590 0.33,591 0.75,592 0.613,593 234.301,594 -0.021,595 -0.151,596 0.081,597 -0.038,598 -0.053,599 0.023,600 0.058,601 0.098,602 0.112,603 0.141,604 0.011,605 0.134,606 0.013,607 0.047,608 0.054,609 0.064,610 -0.004,611 0.066,612 -0.099,613 -0.041,614 -0.018,615 -0.015,616 -0.088,617 -0.008,618 -0.056,619 -0.008,620 -0.101,621 -0.061,622 -0.031,623 -0.082,624 0.012,625 -0.087,626 -0.067,627 -0.104,628 0.032,629 -0.098,630 -0.039,631 -0.079,632 -0.072,633 -0.078,634 -0.027,635 -0.08,636 -0.071,637 -0.062,638 -0.098,639 -0.095,640 -0.036,641 -0.098,642 2.23,643 6.883,644 0.814,645 41.589,646 1.003,647 1.113,648 3.423,649 11.715,650 0.695,651 3.951,652 4.407,653 4.875,654 5.342,655 5.759,656 6.131,657 6.525,658 6.891,659 7.185,660 7.475,661 6.34,662 0.668,663 570.69,664 3.951,665 5.58,666 6.532,667 7.509,668 8.488,669 9.48,670 10.471,671 11.471,672 12.47,673 13.474,674 5.5,681 2,682 2,689 8,690 13,695 3,696 2,697 30,704 1,705 1,716 73,718 32,719 4,720 51,722 81,723 35,724 24,725 11,726 13,727 2,728 9,729 81,732 1,735 4,738 4,740 26,741 9,744 2,749 2,753 2,760 30,761 6,762 1,763 8,769 4,775 0.222,776 4,789 2,793 3,794 5,795 1,797 6,798 2,799 1,800 7,818 2,819 2,823 3,827 43,833 2,834 1,835 2,837 3,838 1,839 1,850 5.5,853 2,854 2,858 20.583,859 14.35,860 9.014,861 4.487,863 6.057,864 1.543,865 1.076,866 5.202,867 17.206,868 4.234,869 4.966,870 5.754,871 6.552,872 7.305,873 7.968,874 8.673,875 9.34,876 9.897,877 10.463,878 0.75,879 100,880 16.107,881 7.503,882 7.626,883 31.088,884 28.16,885 2.126,886 91.417,890 341.362,891 193.771,892 24.933,894 72.29,897 193.771,898 413.652,899 24.933,900 28.105,901 25.775,902 123.191,903 81.699,904 23.647,905 20.348,906 329.591,908 341.362,909 218.704,910 72.29,913 306.049,914 85.603,915 22,917 38.399,918 180.305,921 341.362,922 97.223,923 193.771,926 341.362,927 42.475,928 158.218,929 18.011,930 72.29,931 341.362,932 97.223,933 193.771,935 0.602,936 0.387,937 0.237,938 0.141,939 49,940 21,941 0.037,942 3,943 10,944 1.486,945 4.618,946 578.002,947 0.571,948 32,949 227.329,954 25.494,955 8.774,956 3.102,957 8.149,958 93.425,959 25.993,964 2.401,965 4.568,966 18.011,967 632.355,968 68,973 27.424,977 -0.107,980 73.203,981 81.228,983 0.242,984 0.588,985 0.779,986 0.876,987 0.915,988 0.933,989 5.551,990 2.274,991 6.583,992 8.415,993 5.094,994 5.656,995 2.398,996 7.595,997 5.028,998 6.818,999 2.086,1000 8.263,1001 7.822,1002 4.934,1003 5.712,1004 0.325,1005 8.936,1006 4.821,1007 8.196,1008 1.875,1009 10.052,1010 7.135,1011 6.891,1012 8.054,1013 2.49,1014 12.174,1015 6.748,1016 9.616,1017 1.723,1018 11.907,1019 5.862,1020 7.586,1021 8.993,1022 0.653,1023 14.362,1024 7.385,1025 11.075,1026 1.575,1027 13.806,1028 5.157,1029 9.055,1030 10.847,1031 2.676,1032 17.185,1033 8.823,1034 12.563,1035 1.436,1036 15.736,1037 4.576,1038 10.105,1039 12.183,1040 1.001,1041 19.696,1042 9.813,1043 14.073,1044 1.381,1045 17.688,1046 4.263,1047 11.427,1048 13.876,1049 2.896,1050 22.418,1051 11.095,1052 3.789,1053 1.334,1054 19.658,1055 3.115,1056 12.619,1057 15.388,1058 1.37,1059 25.051,1060 12.23,1061 3.461,1062 15.525,1063 21.642,1064 3.029,1065 13.905,1066 17.034,1067 3.137,1068 27.756,1069 13.47,1070 3.195,1071 13.614,1072 23.639,1073 5.285,1074 15.157,1075 18.621,1076 1.754,1077 30.439,1078 14.666,1079 2.997,1080 11.917,1081 25.646,1082 4.71,1083 16.441,1084 20.258,1085 3.394,1086 33.148,1087 15.901,1088 2.846,1089 10.657,1090 27.662,1091 3.954,1092 17.719,1093 21.879,1094 2.143,1095 35.854,1096 17.125,1097 2.503,1098 10.109,1099 29.686,1100 3.728,1101 19.011,1102 23.519,1103 3.662,1104 38.57,1105 18.365,1106 2.4,1107 8.641,1108 31.717,1109 3.608,1110 20.304,1111 25.156,1112 2.535,1113 41.288,1114 19.604,1115 23670,1116 36698,1117 34.737,1118 50.739,1119 81.873,1120 83.792,1121 85.013,1122 81.12,1123 81.073,1124 106.902,1125 10.722,1126 267.411,1127 78.481,1128 6.131,1129 6.04,1130 7.825,1131 5.865,1132 5.789,1133 8.285,1134 2.357,1135 24.412,1136 5.603,1137 18.973,1138 1.605,1139 1.643,1140 1.667,1141 1.591,1142 1.59,1143 2.096,1144 0.21,1145 5.243,1146 1.539,1147 4.367,1148 4.39,1149 4.352,1150 4.287,1151 7.431,1152 4.3,1153 4.019,1154 4.046,1155 3.986,1156 3.953,1157 7.426,1158 3.957,1159 3.943,1160 3.972,1161 3.885,1162 3.858,1163 5.093,1164 3.858,1165 3.829,1166 3.86,1167 3.762,1168 3.687,1169 4.812,1170 3.7,1171 3.725,1172 3.762,1173 3.657,1174 3.623,1175 4.73,1176 3.624,1177 3.508,1178 3.564,1179 3.429,1180 3.322,1181 4.687,1182 3.343,1183 3.411,1184 3.467,1185 3.307,1186 3.234,1187 4.465,1188 3.24,1189 3.319,1190 3.375,1191 3.228,1192 3.132,1193 4.409,1194 3.151,1195 0.101,1196 0.079,1197 0.157,1198 0.093,1199 0.074,1200 5.131,1201 0.104,1202 4.04,1203 0.024,1204 8.023,1205 0.304,1206 4.733,1207 0.071,1208 3.789,1209 5.285,1210 1.2,1211 15.525,1212 3.603,1213 2.036,1214 2.028,1215 2.08,1216 2.095,1217 1.377,1218 2.081,1219 1.958,1220 1.932,1221 2.057,1222 2.068,1223 1.349,1224 2.07,1225 1.907,1226 1.882,1227 2.019,1228 2.019,1229 1.166,1230 2.005,1231 1.889,1232 1.856,1233 1.954,1234 1.999,1235 1.141,1236 2.003,1237 1.78,1238 1.746,1239 1.934,1240 1.918,1241 1.072,1242 1.927,1243 1.41,1244 1.353,1245 1.668,1246 1.667,1247 0.846,1248 1.658,1249 1.382,1250 1.32,1251 1.603,1252 1.642,1253 0.769,1254 1.632,1255 1.316,1256 1.269,1257 1.577,1258 1.55,1259 0.684,1260 1.553,1261 4.635,1263 6.057,1264 3.434,1265 7.692,1266 6.009,1267 9.429,1268 8.32,1269 11.225,1271 5.66,1277 0.99,1278 3.126,1279 13.578,1281 -1.211,1282 1.826,1283 -0.98,1289 48.793,1290 109.126,1291 265.646,1292 351.835,1293 395.941,1294 413.593,1295 421.593,1296 73.798,1297 11.149,1298 77.73,1299 77.73,1300 52,1301 13.932,1302 5.044,1303 4.17,1304 49.806,1305 172,1306 204,1307 0.153,1308 282.14,1309 479.62,1310 680.183,1311 1253820,1313 29.198,1314 0.679,1315 0.561,1316 29.198,1317 24.126,1318 20.936,1319 0.411,1320 0.289,1321 14.559,1322 20.216,1323 14.193,1324 11.597,1325 20.936,1326 14.758,1327 19.933,1328 0.246,1329 0.149,1330 19.933,1331 12.092,1332 19.217,1333 0.148,1334 0.077,1335 19.217,1336 10.036,1337 18.325,1338 0.088,1339 0.04,1340 18.325,1341 8.327,1342 16.612,1343 0.053,1344 0.02,1345 16.612,1346 6.453,1347 0.226,1348 130.7,1349 0.17,1350 35.915,1351 0.471,1352 264,1353 674.21,1354 287.03,1355 648.608,1356 928.49,1357 614,1358 343,1359 721.878,1360 369.693,1361 729.588,1362 1117.2,1363 692,1364 5}
{0 CHEMBL2322989,1 1.324,2 16.146,3 6.659,4 44.34,5 160.758,6 6.185,7 0.217,8 4.574,9 4.706,10 3.976,11 4.122,12 5.481,13 4.057,14 5.223,15 5.41,16 4.423,17 4.644,18 6.079,19 4.543,20 5.66,21 5.889,22 4.57,23 4.934,24 6.429,25 4.789,26 5.893,27 6.158,28 4.551,29 5.049,30 6.602,31 4.861,32 5.974,33 6.277,34 4.482,35 4.999,36 6.73,37 4.782,38 5.871,39 6.182,40 4.378,41 4.839,42 6.635,43 4.64,44 5.671,45 5.957,46 4.305,47 4.691,48 6.515,49 4.518,50 5.576,51 5.86,52 4.173,53 4.586,54 6.441,55 4.416,56 0.111,57 1.266,58 22.666,59 9.85,60 15.668,61 13.627,62 0.356,63 2.263,64 42.942,65 18.232,66 50.488,67 25.672,68 0.556,69 3.225,70 66.005,71 26.66,72 68.155,73 37.956,74 0.602,75 3.834,76 82.348,77 32.418,78 81.162,79 46.779,80 0.863,81 3.886,82 88.561,83 33.5,84 139.641,85 49.137,86 0.888,87 3.373,88 80.708,89 28.436,90 118.418,91 41.924,92 0.676,93 2.838,94 66.648,95 23.516,96 101.488,97 34.354,98 0.681,99 2.558,100 61.038,101 20.894,102 105.765,103 30.493,104 51,105 70,106 0.198,107 0.476,108 0.689,109 0.828,110 0.881,111 0.907,112 3.741,113 1.066,114 -5.81,115 -5.67,116 -5.28,118 38.5,119 3,120 12,121 6,122 2,126 2,138 4,139 2,147 1,148 1,153 2,162 1,165 1,167 30,171 1,173 2,175 7,176 1,178 45,179 1,182 2,184 1,185 1,186 8,188 51,189 1,192 3,193 1,197 6,199 43,200 2,203 1,204 5,206 1,207 1,208 8,209 1,211 31,212 2,215 5,218 1,219 1,220 8,223 24,224 3,228 8,231 1,233 11,235 20,236 3,240 7,245 8,247 18,248 2,252 5,257 8,260 19,261 4,264 3364,265 27.235,266 27.235,267 27.235,268 27.235,269 27.235,270 25.741,271 11.505,272 15.354,273 27.361,274 22.616,275 22.616,276 22.616,277 22.616,278 22.616,279 20.335,280 8.086,281 7.173,282 22.822,283 5.184,284 3.327,285 1.899,286 0.97,287 0.618,288 0.442,289 4.449,295 1475,296 5.148,299 171.406,300 388.882,303 307.604,304 299.24,307 2.394,308 43.511,311 0.5,312 0.5,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.8,319 87,320 662,321 4.719,322 3.786,323 7.963,324 4.719,325 3.719,326 4.474,327 2.376,328 15.062,329 3.719,330 4.529,331 3.72,332 7.826,333 4.527,334 3.527,335 3.719,336 1.906,337 14.437,338 3.526,339 4.527,340 3.542,341 6.54,342 4.071,343 3.084,344 3.527,345 0.262,346 10.328,347 3.042,348 3.943,349 3.522,350 6.342,351 3.727,352 2.745,353 3.123,355 9.198,356 2.684,357 3.63,358 3.13,359 5.96,360 3.6,361 2.603,362 2.769,364 8.384,365 2.594,366 3.53,367 2.648,368 5.772,369 3.341,370 2.351,371 2.679,373 7.231,374 2.331,375 3.369,376 2.479,377 5.375,378 3.219,379 2.228,380 2.577,382 6.46,383 2.193,384 3.308,385 2.31,386 5.103,387 3.098,388 2.091,389 2.318,391 5.98,392 2.096,393 3.149,394 2.189,395 4.969,396 2.943,397 1.949,398 2.312,400 5.622,401 1.932,402 3.046,403 1.905,404 4.936,405 2.851,406 1.863,407 2.151,409 5.325,410 1.835,411 2.863,412 1.857,413 4.736,414 2.599,415 1.599,416 1.863,417 4.515,418 1.599,419 2.67,420 1.603,421 4.232,422 2.518,423 1.546,424 1.73,425 3.758,426 1.501,427 2.6,428 1.546,429 4.19,430 2.25,431 1.254,432 1.6,433 3.298,434 1.241,435 2.406,436 1.299,437 3.983,438 2.2,439 1.201,440 1.321,441 2.874,442 1.198,443 2.222,444 1.199,445 3.682,446 2.036,447 1.048,448 1.2,449 2.688,450 1.03,451 19.633,452 0.479,453 1.333,454 0.033,455 36,456 0.878,457 11,458 0.268,459 25,460 0.61,461 65.445,462 1.596,463 47.567,464 0.523,465 23.717,466 0.578,467 4.936,468 0.12,469 14.661,470 0.358,471 0.144,472 0.051,473 0.331,478 0.802,479 1.214,480 0.994,481 1.141,482 0.709,483 1.094,484 0.485,485 1.185,486 0.95,487 1.15,488 0.425,489 1.109,490 0.742,491 1.136,492 1.078,493 1.153,494 0.722,495 1.155,496 0.733,497 1.134,498 1.081,499 1.162,500 0.693,501 1.162,502 0.515,503 1.013,504 0.882,505 1.033,506 0.485,507 1.005,508 0.926,509 0.845,510 0.854,511 0.846,512 0.942,513 0.843,514 1.054,515 0.987,516 0.934,517 0.968,518 1.101,519 0.943,520 1.34,521 0.906,522 1.029,523 0.915,524 1.387,525 0.932,526 10.5,527 0.37,528 7.556,529 4.486,530 3.343,531 1.729,532 1.363,533 0.859,534 0.583,535 0.413,536 31060,537 59368,538 2.09,539 54.9,540 31,541 6,542 1,544 4,545 2,546 6,549 1.802,550 1.922,551 3.917,552 1.314,558 120.492,559 1.324,560 3.181,561 4.608,562 5.538,563 5.89,564 6.065,565 3.373,566 5.162,567 5.331,568 4.116,569 3374.74,570 9.394,571 60090.4,576 592.209,577 1.688,578 5.265,579 0.228,580 0.009,581 0.108,582 0.058,583 0.047,584 0.027,585 0.024,586 0.016,587 0.012,588 0.009,589 0.539,591 0.63,592 0.697,593 234.728,594 -0.056,595 0.085,596 0.041,597 0.103,598 -0.039,599 0.085,600 0.137,601 0.005,602 0.042,603 0.018,604 0.139,605 0.018,606 -0.004,607 -0.045,608 -0.096,609 -0.066,610 -0.008,611 -0.09,612 -0.041,613 -0.115,614 -0.123,615 -0.128,616 -0.019,617 -0.134,618 0.147,619 -0.075,620 0.053,621 -0.062,622 0.163,623 -0.022,624 0.041,625 0.063,626 0.113,627 0.08,628 0.023,629 0.101,630 0.014,631 -0.04,632 0.056,633 -0.014,634 0.013,635 0.02,636 -0.1,637 0.043,638 -0.019,639 0.025,640 -0.067,641 0.016,642 2.657,643 6.012,644 0.634,645 51.808,646 0.986,647 1.13,648 4.578,649 20.956,650 0.628,651 3.85,652 4.263,653 4.605,654 4.913,655 5.165,656 5.318,657 5.525,658 5.704,659 5.805,660 5.866,661 9.173,662 0.577,663 562.87,664 3.85,665 5.451,666 6.347,667 7.276,668 8.193,669 9.128,670 10.055,671 10.994,672 11.929,673 12.872,674 2.2,681 1,682 1,689 2,690 5,692 1,695 1,697 10,716 91,718 12,719 1,720 46,722 96,723 35,724 8,725 2,726 4,728 6,729 13,732 3,733 2,734 2,735 10,736 5,738 14,740 10,741 25,742 6,744 2,749 2,753 2,760 50,761 5,762 4,763 6,769 2,775 0.333,776 4,778 1,789 1,793 2,794 4,797 2,798 2,807 1,809 1,817 2,819 2,823 3,827 41,832 2,833 12,834 1,837 8,839 2,850 4.4,851 1,852 1,853 2,858 21.333,859 16.317,860 8.667,861 6.2,863 1.75,864 1.189,865 0.914,866 8.087,867 10.991,868 3.989,869 4.525,870 5.005,871 5.487,872 5.881,873 6.113,874 6.447,875 6.737,876 6.601,877 6.72,878 0.909,879 77,880 15.476,881 6.997,882 7.61,883 30.882,884 28.6,885 2.11,886 86.5,890 541.471,891 117.36,892 34.796,894 135.657,897 117.36,898 677.127,899 34.796,900 26.476,901 48.425,902 89.636,903 98.588,904 22.544,905 13.915,906 529.7,908 541.471,909 152.156,910 135.657,913 470.844,914 163.6,915 42.683,917 91.686,918 60.47,921 541.471,922 170.453,923 117.36,926 541.471,927 43.932,928 73.428,929 34.796,930 135.657,931 541.471,932 170.453,933 117.36,935 0.604,936 0.366,937 0.196,938 0.108,939 37,940 17,941 0.083,942 8,943 4,944 1.308,945 4.923,946 436.294,947 0.308,948 26,949 219.66,954 29.238,955 11.34,956 5.284,957 1.979,958 153.667,959 9.708,961 3.202,964 0.912,966 120.163,967 829.283,968 53,973 25.061,977 -1.145,980 89.719,981 102.799,983 0.203,984 0.489,985 0.708,986 0.851,987 0.905,988 0.932,989 5.325,990 2.091,991 6.405,992 6.46,993 4.949,994 5.212,995 2.782,996 7.358,997 4.932,998 6.529,999 1.949,1000 8.066,1001 5.98,1002 4.844,1003 5.165,1004 2.591,1005 8.79,1006 4.827,1007 7.87,1008 1.863,1009 9.847,1010 5.622,1011 6.73,1012 7.285,1013 4.054,1014 11.931,1015 6.705,1016 9.245,1017 1.599,1018 11.705,1019 5.325,1020 7.456,1021 8.062,1022 4.438,1023 14.223,1024 7.435,1025 10.658,1026 1.546,1027 13.616,1028 4.515,1029 8.895,1030 9.753,1031 5.54,1032 17.015,1033 8.869,1034 12.097,1035 1.254,1036 15.565,1037 3.758,1038 9.962,1039 10.899,1040 6.173,1041 19.584,1042 9.939,1043 13.557,1044 1.201,1045 17.542,1046 3.298,1047 11.273,1048 12.449,1049 7.132,1050 22.299,1051 11.25,1052 3.719,1053 1.048,1054 19.54,1055 2.874,1056 12.473,1057 13.77,1058 7.882,1059 24.952,1060 12.452,1061 3.527,1062 15.062,1063 21.554,1064 2.688,1065 13.755,1066 15.271,1067 8.781,1068 27.651,1069 13.735,1070 3.084,1071 14.437,1072 23.579,1073 4.474,1074 15.006,1075 16.676,1076 9.587,1077 30.332,1078 14.988,1079 2.745,1080 10.328,1081 25.614,1082 3.719,1083 16.286,1084 18.163,1085 10.463,1086 33.028,1087 16.269,1088 2.603,1089 9.198,1090 27.656,1091 3.527,1092 17.559,1093 19.61,1094 11.297,1095 35.719,1096 17.544,1097 2.351,1098 8.384,1099 29.703,1100 3.123,1101 18.843,1102 21.095,1103 12.164,1104 38.415,1105 18.83,1106 2.228,1107 7.231,1108 31.755,1109 2.769,1110 20.127,1111 22.564,1112 13.012,1113 41.11,1114 20.115,1115 28497,1116 39750,1117 30.224,1118 57.103,1119 71.55,1120 73.048,1121 74.398,1122 70.968,1123 70.967,1124 80.655,1125 9.087,1126 223.287,1127 70.31,1128 5.719,1129 5.786,1130 7.645,1131 5.75,1132 5.719,1133 7.474,1134 3.99,1135 23.819,1136 5.719,1137 23.198,1138 1.555,1139 1.588,1140 1.617,1141 1.543,1142 1.543,1143 1.753,1144 0.198,1145 4.854,1146 1.528,1147 4.153,1148 4.191,1149 4.092,1150 4.073,1151 7.474,1152 4.07,1153 4.096,1154 4.133,1155 4.013,1156 4.022,1157 7.428,1158 4.018,1159 3.903,1160 3.948,1161 3.792,1162 3.816,1163 6.449,1164 3.804,1165 3.756,1166 3.8,1167 3.673,1168 3.592,1169 6.351,1170 3.597,1171 3.623,1172 3.671,1173 3.498,1174 3.482,1175 4.97,1176 3.48,1177 3.495,1178 3.549,1179 3.361,1180 3.354,1181 4.489,1182 3.345,1183 3.419,1184 3.492,1185 3.281,1186 3.286,1187 4.313,1188 3.264,1189 3.385,1190 3.443,1191 3.231,1192 3.222,1193 4.274,1194 3.229,1195 0.103,1196 0.082,1197 0.173,1198 0.103,1199 0.081,1200 4.719,1201 0.097,1202 3.786,1203 0.052,1204 7.963,1205 0.327,1206 4.719,1207 0.081,1208 3.719,1209 4.474,1210 2.376,1211 15.062,1212 3.719,1213 2.056,1214 2.019,1215 2.217,1216 2.156,1217 1.701,1218 2.179,1219 1.942,1220 1.918,1221 2.055,1222 2.023,1223 1.477,1224 2.03,1225 1.857,1226 1.813,1227 2.037,1228 1.988,1229 1.361,1230 2.009,1231 1.745,1232 1.697,1233 1.96,1234 1.913,1235 1.238,1236 1.922,1237 1.685,1238 1.639,1239 1.854,1240 1.862,1241 1.132,1242 1.871,1243 1.53,1244 1.473,1245 1.783,1246 1.715,1247 1.076,1248 1.735,1249 1.444,1250 1.379,1251 1.726,1252 1.639,1253 1.034,1254 1.668,1255 1.396,1256 1.335,1257 1.67,1258 1.61,1259 0.981,1260 1.623,1261 4.533,1263 5.922,1264 3.045,1265 7.51,1266 5.476,1267 9.2,1268 7.644,1269 10.947,1271 7.446,1276 20.214,1277 12.416,1278 2.832,1281 3.132,1283 0.742,1289 52.545,1290 120.492,1291 289.456,1292 419.367,1293 503.97,1294 535.945,1295 551.945,1296 102.605,1297 9.241,1298 102.42,1299 102.42,1300 34,1301 13.367,1302 3.7,1303 3,1304 59.809,1305 230,1306 213,1307 0.125,1308 314.151,1309 559.42,1310 758.289,1311 176915,1313 28.941,1314 0.706,1315 0.615,1316 28.941,1317 25.202,1318 19.597,1319 0.426,1320 0.355,1321 16.254,1322 19.185,1323 15.787,1324 12.965,1325 19.597,1326 16.351,1327 18.946,1328 0.271,1329 0.212,1330 18.946,1331 14.851,1332 16.538,1333 0.167,1334 0.131,1335 16.538,1336 12.957,1337 14.011,1338 0.104,1339 0.08,1340 14.011,1341 10.758,1342 11.62,1343 0.067,1344 0.048,1345 11.62,1346 8.389,1347 0.202,1348 120.754,1349 0.182,1350 36.896,1351 0.329,1352 232,1353 478.436,1354 244.521,1355 465.922,1356 633.71,1357 434,1358 285,1359 460.519,1360 295.752,1361 469.268,1362 691.38,1363 444,1364 5.357}
{0 CHEMBL2333163,1 1.823,2 31,3 10.974,4 120.437,5 300.083,6 11.869,7 0.45,8 4.888,9 4.969,10 4.831,11 4.49,12 6.19,13 4.467,14 5.346,15 5.463,16 5.289,17 4.903,18 6.567,19 4.849,20 5.675,21 5.813,22 5.597,23 5.082,24 6.971,25 5.014,26 5.787,27 5.954,28 5.485,29 5.093,30 7.073,31 4.999,32 5.776,33 5.952,34 5.433,35 5.094,36 6.998,37 4.999,38 5.781,39 5.93,40 5.652,41 5.086,42 7.097,43 5.026,44 5.795,45 5.957,46 5.927,47 5.109,48 7.137,49 5.026,50 5.734,51 5.89,52 5.475,53 5.048,54 7.153,55 4.968,56 0.623,57 1.544,58 3.971,59 10.375,60 74.61,61 10.329,62 0.774,63 2.44,64 10.659,65 17.854,66 76.08,67 19.431,68 1.687,69 3.19,70 66.149,71 27.628,72 161.401,73 27.699,74 2.332,75 3.442,76 87.894,77 31.623,78 310.401,79 31.646,80 1.967,81 3.481,82 138.935,83 32.823,84 226.707,85 32.734,86 2.291,87 3.394,88 97.12,89 30.338,90 265.373,91 27.588,92 2.555,93 3.364,94 168.726,95 34.204,96 284.15,97 32.77,98 2.287,99 3.292,100 127.387,101 31.105,102 275.678,103 31.069,104 299,105 112,106 0.253,107 0.556,108 0.66,109 0.733,110 0.778,111 0.8,112 4.332,113 1.011,114 -3.87,115 -3.83,116 -3.64,117 6,118 42.9,120 6,124 3,138 15,139 8,140 13,151 3,153 3,163 3,167 24,171 5,173 3,175 7,178 31,181 3,182 10,184 4,186 26,188 24,192 16,195 3,196 3,197 19,199 21,204 15,207 1,208 23,211 14,214 1,215 16,220 19,223 19,227 1,228 16,231 6,232 2,233 14,235 35,240 11,243 5,244 6,245 11,247 21,251 1,252 16,255 4,256 4,257 10,260 28,264 21118,265 49.435,266 49.435,267 49.435,268 49.435,269 49.435,270 42.958,271 59.105,272 28.495,273 50.838,274 39.099,275 39.099,276 39.099,277 39.099,278 39.099,279 29.981,280 58.957,281 13.22,282 41.672,283 5.072,284 2.887,285 2.136,286 1.613,287 1.287,288 1.124,289 5.024,295 4921,296 6.671,300 1925.66,307 4.64,308 119.45,311 0.25,312 0.17,313 0.33,314 0.5,316 0.17,318 0.2,319 163.5,320 2325,321 4.579,322 3.867,323 6.793,324 4.183,325 3.216,326 4.315,327 1.893,328 11.095,329 3.106,330 4.417,331 3.867,332 6.409,333 3.991,334 3.058,335 4.098,336 1.893,337 9.783,338 2.864,339 4.25,340 3.866,341 6.18,342 3.856,343 2.888,344 3.881,345 1.893,346 8.994,347 2.809,348 4.222,349 3.422,350 6.064,351 3.8,352 2.849,353 3.87,354 1.058,355 8.758,356 2.753,357 4.215,358 3.416,359 6.044,360 3.781,361 2.831,362 3.869,363 1.058,364 8.655,365 2.702,366 4.214,367 3.387,368 6.03,369 3.761,370 2.829,371 3.869,372 1.058,373 8.563,374 2.631,375 4.124,376 3.385,377 6.026,378 3.755,379 2.783,380 3.472,381 0.86,382 8.486,383 2.629,384 4.108,385 3.383,386 5.95,387 3.716,388 2.753,389 3.462,390 0.61,391 8.321,392 2.608,393 4.081,394 3.191,395 5.95,396 3.661,397 2.713,398 3.45,399 0.61,400 8.321,401 2.532,402 3.576,403 3.19,404 5.397,405 3.245,406 2.285,407 2.886,408 0.61,409 6.734,410 2.18,411 3.541,412 3.189,413 5.276,414 3.2,415 2.235,416 2.867,417 6.693,418 2.155,419 3.523,420 3.188,421 5.226,422 3.186,423 2.23,424 2.825,425 6.451,426 2.081,427 3.517,428 2.656,429 5.223,430 3.159,431 2.18,432 2.823,433 6.429,434 2.074,435 3.472,436 2.639,437 5.213,438 3.105,439 2.13,440 2.774,441 6.383,442 2.038,443 3.465,444 2.638,445 5.202,446 3.09,447 2.121,448 2.766,449 6.37,450 2.011,451 39.9,452 0.532,453 2.154,454 0.029,455 93.5,456 1.247,457 48,458 0.64,459 45.5,460 0.607,461 108.168,462 1.442,463 77.7,464 0.653,465 91.54,466 1.221,467 17.885,468 0.238,469 17.891,470 0.239,471 0.292,473 0.338,478 0.857,479 0.93,480 0.49,481 0.604,482 0.836,483 0.698,484 0.625,485 1.085,486 0.582,487 0.765,488 0.546,489 0.858,490 0.78,491 1.085,492 0.863,493 1.035,494 0.763,495 1.041,496 1.051,497 1.043,498 0.834,499 0.897,500 1.07,501 1.012,502 1.038,503 1.066,504 1.104,505 1.045,506 0.944,507 1.028,508 1.279,509 1.081,510 0.982,511 1.003,512 1.31,513 0.981,514 0.951,515 1.004,516 0.862,517 0.942,518 1.1,519 0.912,520 0.826,521 1.141,522 1.106,523 1.155,524 0.774,525 1.116,526 18,527 0.735,528 9.778,529 6.063,530 4.893,531 2.722,532 2.727,533 1.72,534 1.431,535 0.992,536 176048,537 664808,538 1.978,539 37,541 21,544 11,545 6,546 6,549 1.936,550 1.807,551 4.825,552 6.215,558 216.936,559 1.823,560 4.007,561 4.759,562 5.281,563 5.608,564 5.77,565 4.287,566 6.175,567 6.196,568 5.067,569 14059.9,570 11.125,571 443711,576 820.483,577 1.543,578 6.132,579 0.225,580 0.007,581 0.087,582 0.049,583 0.043,584 0.023,585 0.022,586 0.014,587 0.012,588 0.008,589 0.489,590 0.17,591 0.38,592 0.754,593 521.046,594 -0.082,595 0.182,596 -0.011,597 0.129,598 -0.093,599 0.092,600 0.016,601 0.004,602 0.016,603 0.031,604 0.028,605 0.016,606 0.07,607 -0.052,608 -0.011,609 -0.117,610 0.026,611 -0.101,612 -0.068,613 -0.049,614 -0.031,615 0.019,616 -0.055,617 -0.039,618 -0.143,619 -0.044,620 -0.109,621 -0.059,622 -0.065,623 -0.027,624 -0.181,625 -0.061,626 -0.038,627 -0.043,628 -0.186,629 -0.038,630 0.095,631 -0.034,632 0.132,633 0.057,634 -0.011,635 0.089,636 0.124,637 -0.124,638 -0.103,639 -0.169,640 0.178,641 -0.138,642 2.352,643 6.33,644 0.48,645 192.981,646 1.028,647 1.115,648 2.643,649 6.983,650 0.734,651 4.394,652 4.727,653 4.97,654 5.153,655 5.371,656 5.438,657 5.537,658 5.652,659 5.749,660 5.746,661 17.117,662 0.701,663 1412.41,664 4.394,665 5.953,666 6.797,667 7.666,668 8.524,669 9.395,670 10.259,671 11.132,672 11.999,673 12.874,674 5,681 3,683 3,690 15,695 21,697 36,713 5,714 1,715 6,716 119,718 42,719 6,720 80,721 6,722 124,723 51,724 36,725 21,726 15,727 6,728 6,729 6,738 6,740 42,741 9,744 6,749 3,752 3,753 6,760 44,761 18,762 11,763 24,764 6,769 6,775 1,776 12,794 6,804 3,807 3,817 3,819 6,822 6,827 75,832 8,833 9,834 3,835 1,849 6,850 10.1,852 5,853 3,855 4,858 41.5,859 20.724,860 16.694,861 6.526,863 6.381,864 1.628,865 0.927,866 22.751,867 16.537,868 4.654,869 5.268,870 5.788,871 6.265,872 6.781,873 6.979,874 7.259,875 7.629,876 7.952,877 8.127,878 0.952,879 125,880 27.915,881 12.165,882 8.087,883 51.051,884 41.295,885 2.587,886 194,890 388.446,891 240.354,892 369.499,894 428.268,897 516.079,898 816.715,899 93.775,901 75.557,902 142.144,903 311.236,904 233.461,906 388.446,907 275.725,908 388.446,909 334.129,910 428.268,912 275.725,913 317.82,914 498.895,917 115.299,918 218.83,920 275.725,921 388.446,922 522.043,923 516.079,926 388.446,927 98.211,928 142.144,929 329.757,930 468.011,931 388.446,932 522.043,933 516.079,935 0.587,936 0.35,937 0.171,938 0.091,939 45,940 27,941 0.169,942 21,944 1,945 7.434,946 875.359,948 36,949 463.161,954 60.027,955 28.426,956 16.651,958 522.043,959 24.184,964 5.952,966 395.866,967 1426.57,968 104,973 39.242,976 9.644,977 -2.609,980 122.352,981 132.687,983 0.264,984 0.581,985 0.69,986 0.766,987 0.813,988 0.837,989 5.908,990 2.753,991 6.799,992 8.486,993 5.416,994 5.958,995 3.494,996 7.6,997 5.295,998 7.138,999 2.713,1000 8.368,1001 8.321,1002 5.094,1003 5.876,1005 8.474,1006 4.86,1007 8.459,1008 2.285,1009 10.029,1010 8.321,1011 7.022,1012 8.152,1013 4.471,1014 11.538,1015 6.822,1016 9.811,1017 2.235,1018 11.742,1019 6.734,1020 7.462,1021 8.814,1023 13.171,1024 7.156,1025 11.188,1026 2.23,1027 13.487,1028 6.693,1029 8.883,1030 10.605,1031 5.658,1032 15.773,1033 8.599,1034 12.583,1035 2.18,1036 15.253,1037 6.451,1038 9.667,1039 11.614,1041 17.754,1042 9.291,1043 13.991,1044 2.13,1045 17.034,1046 6.429,1047 10.893,1048 13.206,1049 6.907,1050 20.189,1051 10.519,1052 3.216,1053 2.121,1054 18.828,1055 6.383,1056 11.841,1057 14.394,1059 22.349,1060 11.393,1061 3.058,1062 11.095,1063 20.633,1064 6.37,1065 12.989,1066 15.893,1067 8.176,1068 24.725,1069 12.526,1070 2.888,1071 9.783,1072 22.445,1073 4.315,1074 14.018,1075 17.179,1077 26.983,1078 13.495,1079 2.849,1080 8.994,1081 24.265,1082 4.098,1083 15.136,1084 18.633,1085 9.449,1086 29.344,1087 14.589,1088 2.831,1089 8.758,1090 26.092,1091 3.881,1092 16.206,1093 19.975,1095 31.658,1096 15.609,1097 2.829,1098 8.655,1099 27.925,1100 3.87,1101 17.318,1102 21.409,1103 10.725,1104 34.021,1105 16.69,1106 2.783,1107 8.563,1108 29.764,1109 3.869,1110 18.41,1111 22.784,1113 36.368,1114 17.739,1115 168075,1116 326954,1117 51.15,1118 87.353,1119 118.987,1120 131.241,1121 124.965,1122 118.862,1123 117.918,1124 153.03,1125 23.085,1126 340.332,1127 109.371,1128 5.513,1129 5.867,1130 6.344,1131 5.261,1132 5.216,1133 7.315,1134 3.786,1135 18.568,1136 5.106,1137 56.124,1138 1.487,1139 1.641,1140 1.562,1141 1.486,1142 1.474,1143 1.913,1144 0.289,1145 4.254,1146 1.367,1147 4.073,1148 4.089,1149 6.889,1150 4.026,1151 7.434,1152 4.017,1153 3.984,1154 3.996,1155 6.879,1156 3.935,1157 7.427,1158 3.925,1159 3.93,1160 3.95,1161 6.879,1162 3.886,1163 7.427,1164 3.871,1165 3.919,1166 3.94,1167 6.879,1168 3.876,1169 6.548,1170 3.86,1171 3.881,1172 3.904,1173 6.878,1174 3.843,1175 6.539,1176 3.826,1177 3.837,1178 3.858,1179 6.878,1180 3.787,1181 6.539,1182 3.772,1183 3.683,1184 3.716,1185 3.958,1186 3.489,1187 6.48,1188 3.516,1189 3.658,1190 3.692,1191 3.87,1192 3.464,1193 6.468,1194 3.489,1195 0.057,1196 0.048,1197 0.085,1198 0.052,1199 0.04,1200 4.579,1201 0.054,1202 3.867,1203 0.024,1204 6.793,1205 0.139,1206 4.183,1207 0.039,1208 3.216,1209 4.315,1210 1.893,1211 11.095,1212 3.106,1213 2,1214 1.99,1215 2.048,1216 2.06,1217 1.27,1218 2.064,1219 1.937,1220 1.925,1221 2.015,1222 2.028,1223 1.236,1224 2.029,1225 1.91,1226 1.89,1227 2.006,1228 1.997,1229 1.231,1230 2.007,1231 1.91,1232 1.89,1233 2.005,1234 1.995,1235 1.23,1236 2.006,1237 1.873,1238 1.853,1239 1.954,1240 1.956,1241 1.173,1242 1.964,1243 1.816,1244 1.797,1245 1.898,1246 1.911,1247 1.123,1248 1.913,1249 1.578,1250 1.542,1251 1.716,1252 1.804,1253 0.893,1254 1.776,1255 1.56,1256 1.523,1257 1.705,1258 1.781,1259 0.879,1260 1.757,1261 5.081,1263 6.412,1265 7.923,1267 9.517,1269 11.156,1270 20.017,1276 82.103,1277 1.249,1278 8.157,1279 6.062,1289 83.447,1290 216.936,1291 476.879,1292 566.279,1293 628.492,1294 667.386,1295 686.67,1296 331.171,1297 10.156,1298 295.45,1299 295.45,1300 36,1301 13.416,1302 5.426,1303 4.644,1304 154.357,1305 782,1306 814,1307 0.092,1308 545.566,1309 975.1,1310 1322.94,1311 701822,1312 5,1313 54.509,1314 0.727,1315 0.645,1316 60.509,1317 48.36,1318 35.776,1319 0.447,1320 0.337,1321 22.217,1322 31.23,1323 21.515,1324 17.669,1325 39.24,1326 26.972,1327 32.465,1328 0.29,1329 0.193,1330 36.915,1331 21.625,1332 27.485,1333 0.192,1334 0.104,1335 32.086,1336 14.93,1337 20.673,1338 0.12,1339 0.06,1340 24.076,1341 10.24,1342 16.291,1343 0.076,1344 0.031,1345 18.639,1346 6.683,1347 0.154,1348 275.476,1349 0.14,1350 60.625,1351 0.228,1352 384,1353 1318,1354 814.237,1355 1490.31,1356 1903.58,1357 1364,1358 447,1359 1200.47,1360 697.533,1361 1285.23,1362 1856.48,1363 1202,1364 5.469}
{0 CHEMBL2333593,1 1.562,2 8.778,3 4.583,4 21.004,5 103.186,6 7.31,7 0.5,8 4.017,9 4.148,10 3.577,11 3.516,12 5.09,13 3.505,14 4.579,15 4.776,16 3.981,17 3.932,18 5.631,19 3.898,20 4.792,21 5.001,22 4.08,23 4.072,24 5.842,25 4.027,26 4.889,27 5.108,28 4.084,29 4.087,30 6.081,31 4.035,32 4.878,33 5.117,34 3.982,35 4.077,36 5.838,37 4.001,38 4.852,39 5.086,40 3.901,41 4.079,42 5.803,43 3.989,44 4.851,45 5.08,46 3.844,47 4.072,48 5.82,49 3.966,50 4.865,51 5.111,52 3.739,53 3.998,54 5.861,55 3.878,56 0.019,57 0.788,58 10.511,59 4.145,60 5.489,61 5.846,62 0.391,63 1.27,64 20.694,65 7.238,66 23.729,67 10.445,68 0.272,69 1.478,70 26.211,71 9.065,72 27.612,73 13.124,74 0.595,75 1.572,76 29.845,77 9.027,78 81.729,79 13.418,80 0.417,81 1.554,82 29.607,83 9.186,84 32.827,85 13.935,86 0.383,87 1.499,88 28.722,89 9.316,90 37.167,91 13.764,92 0.274,93 1.467,94 28.434,95 9.998,96 37.963,97 14.421,98 0.326,99 1.4,100 29.851,101 10.021,102 49.723,103 14.508,104 30,105 44,106 0.262,107 0.618,108 0.806,109 0.865,110 0.871,111 0.871,112 3.342,113 0.929,114 -4.73,115 -4.65,116 -4.37,118 40,119 2,120 3,123 1,124 1,138 4,139 2,143 1,147 1,148 2,153 1,154 1,157 1,167 10,170 5,171 2,173 3,178 10,181 2,182 4,184 1,188 6,191 5,192 9,195 1,199 2,203 2,204 9,206 1,211 3,214 1,215 9,220 1,223 6,228 9,233 3,235 7,240 10,245 4,247 6,252 7,257 2,260 4,264 1064,265 18.267,266 18.267,267 18.267,268 18.267,269 18.267,270 16.308,271 17.548,272 10.703,273 18.616,274 14.754,275 14.754,276 14.754,277 14.754,278 14.754,279 11.546,280 17.469,281 5.027,282 15.337,283 4.082,284 1.957,285 0.835,286 0.485,287 0.445,288 0.445,289 4.034,293 1,294 1,295 509,296 3.082,299 87.217,300 133.729,302 71.733,303 87.072,306 117.543,307 1.3,308 25.345,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 58.5,320 237,321 4.836,322 3.857,323 7.143,324 4.373,325 3.437,326 4.801,327 1.713,328 12.486,329 3.223,330 4.385,331 3.435,332 6.721,333 4.039,334 3.072,335 3.977,336 1.001,337 10.874,338 2.977,339 4.044,340 3.278,341 6.2,342 3.649,343 2.69,344 3.528,345 0.514,346 8.953,347 2.563,348 3.682,349 2.91,350 5.888,351 3.333,352 2.366,353 2.941,355 7.813,356 2.277,357 3.444,358 2.598,359 5.273,360 3.047,361 2.079,362 2.704,364 6.225,365 1.998,366 3.101,367 2.084,368 5.107,369 2.752,370 1.768,371 2.296,373 5.372,374 1.739,375 3.062,376 1.845,377 4.833,378 2.659,379 1.691,380 2.22,382 4.948,383 1.63,384 2.86,385 1.611,386 4.14,387 2.457,388 1.497,389 2.014,391 3.423,392 1.426,393 2.688,394 1.493,395 3.79,396 2.414,397 1.414,398 1.712,400 3.081,401 1.414,402 2.554,403 1.221,404 3.586,405 2.103,406 1.139,407 1.568,409 2.816,410 1.095,411 2.089,412 1.186,413 3.521,414 1.821,415 0.839,416 0.988,417 1.934,418 0.821,419 1.893,420 0.89,421 3.347,422 1.495,423 0.517,424 0.644,425 1.228,426 0.498,427 1.633,428 0.798,429 2.971,430 1.359,431 0.383,432 0.471,433 0.819,434 0.373,435 1.148,436 0.471,437 2.645,438 0.851,439 -0.127,440 -0.153,441 -0.289,442 -0.123,443 1,444 0.073,445 2.547,446 0.625,447 -0.354,448 -0.401,449 -0.674,450 -0.346,451 12.667,452 0.469,453 0.734,454 0.027,455 34.25,456 1.269,457 15.5,458 0.574,459 18.75,460 0.694,461 24.199,462 0.896,463 29.333,464 0.587,465 26.112,466 0.967,467 6.472,468 0.24,469 6.552,470 0.243,471 0.171,473 0.411,478 0.737,479 1.602,480 0.779,481 1.203,482 0.533,483 1.023,484 0.504,485 0.929,486 0.727,487 0.863,488 0.453,489 0.832,490 0.807,491 1.191,492 0.778,493 1.022,494 0.808,495 0.915,496 0.958,497 1.073,498 0.971,499 0.97,500 0.861,501 0.964,502 0.857,503 1.043,504 0.969,505 0.962,506 0.628,507 0.965,508 0.998,509 0.963,510 1.078,511 0.964,512 0.778,513 1.009,514 0.95,515 1.09,516 1.107,517 1.153,518 0.885,519 1.151,520 1.085,521 1.058,522 1.122,523 1.14,524 1.095,525 1.139,526 4.5,527 0.086,528 3.556,529 2.799,530 2.128,531 1.341,532 0.751,533 0.633,534 0.387,535 0.243,536 7617,537 18875,538 2.075,539 46,540 10,541 9,542 1,544 1,546 2,549 1.71,550 1.906,551 3.102,552 -0.309,558 78.103,559 1.562,560 3.687,561 4.808,562 5.159,563 5.199,564 5.199,565 2.46,566 4.385,567 4.721,568 3.27,569 1147.77,570 8.25,571 14189.6,573 1,576 282.193,577 1.506,578 4.668,579 0.15,580 0.008,581 0.081,582 0.058,583 0.046,584 0.032,585 0.019,586 0.018,587 0.012,588 0.011,589 0.435,590 0.17,591 1,592 1.331,593 130.237,594 -0.028,595 -0.358,596 0.07,597 -0.129,598 -0.031,599 -0.035,600 0.341,601 0.221,602 0.198,603 0.132,604 0.128,605 0.131,606 0.097,607 -0.13,608 0.166,609 -0.013,610 0.033,611 0.068,612 0.163,613 -0.007,614 0.01,615 -0.021,616 0.191,617 -0.028,618 0.018,619 0.008,620 -0.005,621 -0.005,622 0.017,623 -0.004,624 -0.121,625 0.081,626 -0.124,627 0.016,628 -0.045,629 -0.037,630 -0.118,631 -0.079,632 -0.165,633 -0.14,634 -0.066,635 -0.153,636 -0.124,637 -0.106,638 -0.147,639 -0.146,640 -0.064,641 -0.147,642 2.12,643 5.472,644 0.667,645 23.638,646 1.002,647 1.133,648 3.5,649 12.25,650 0.656,651 3.434,652 3.807,653 4.174,654 4.533,655 4.82,656 5.063,657 5.288,658 5.46,659 5.58,660 5.602,661 5.521,662 0.626,663 365.48,664 3.434,665 5.004,666 5.9,667 6.823,668 7.749,669 8.688,670 9.627,671 10.574,672 11.52,673 12.472,674 10,681 2,682 2,684 1,689 1,690 5,691 1,695 5,696 1,697 15,716 50,718 17,719 1,720 30,722 53,723 20,724 11,725 2,726 4,727 1,728 4,729 7,731 1,732 2,738 3,740 13,741 7,744 2,749 2,753 2,757 1,760 23,761 5,762 1,763 7,766 2,769 5,772 1,775 0.5,776 2,793 2,794 2,796 1,797 1,800 1,819 2,823 3,827 27,833 4,834 1,838 1,850 4,853 2,858 14.167,859 10.05,860 5.944,861 3.308,863 3.029,864 1.386,865 1.004,866 4.622,867 10.867,868 3.701,869 4.35,870 5.032,871 5.734,872 6.296,873 6.829,874 7.355,875 7.747,876 8.149,877 8.424,878 0.833,879 48,880 10.027,881 4.337,882 7.753,883 19.207,884 15.992,885 2.253,886 60.833,888 1,889 1,890 258.964,891 107.188,892 41.106,894 50.29,897 107.188,898 309.254,899 41.106,900 26.047,901 30.844,902 46.952,903 71.78,904 10.843,905 23.888,906 247.193,908 258.964,909 148.294,910 50.29,913 235.422,914 73.832,917 52.967,918 78.542,919 16.786,921 258.964,922 91.396,923 107.188,926 258.964,927 34.189,928 79.309,929 18.011,930 67.075,931 258.964,932 91.396,933 107.188,935 0.585,936 0.357,937 0.202,938 0.116,939 23,940 11,941 0.094,942 5,943 2,944 1.222,945 3.691,946 249.863,947 0.222,948 18,949 126.382,954 17.959,955 6.949,956 2.893,957 0.686,958 88.21,959 10.157,960 4.66,964 4.117,965 2.155,966 18.011,967 457.548,968 39.5,973 24.405,977 -0.868,980 50.116,981 56.647,983 0.277,984 0.653,985 0.852,986 0.914,987 0.921,988 0.921,989 4.968,990 1.497,991 5.916,992 4.948,993 4.489,994 5.037,995 2.123,996 6.828,997 4.407,998 6.204,999 1.414,1000 7.537,1001 3.423,1002 4.205,1003 5.027,1004 1.305,1005 7.915,1006 4.068,1007 7.547,1008 1.139,1009 9.264,1010 3.081,1011 6.168,1012 7.334,1013 2.693,1014 11.107,1015 5.984,1016 8.934,1017 0.839,1018 11.05,1019 2.816,1020 6.735,1021 8.199,1022 2.473,1023 13.036,1024 6.486,1025 10.358,1026 0.517,1027 12.875,1028 1.934,1029 8.19,1030 10.009,1031 3.51,1032 15.759,1033 7.893,1034 11.809,1035 0.383,1036 14.726,1037 1.228,1038 9.128,1039 11.261,1040 3.63,1041 18.024,1042 8.764,1043 13.283,1044 -0.127,1045 16.596,1046 0.819,1047 10.41,1048 12.898,1049 4.453,1050 20.596,1051 9.992,1052 3.437,1053 -0.354,1054 18.48,1055 -0.289,1056 11.506,1057 14.322,1058 4.762,1059 22.999,1060 11.022,1061 3.072,1062 12.486,1063 20.376,1064 -0.674,1065 12.731,1066 15.9,1067 5.462,1068 25.522,1069 12.189,1070 2.69,1071 10.874,1072 22.28,1073 4.801,1074 13.894,1075 17.398,1076 5.873,1077 27.985,1078 13.285,1079 2.366,1080 8.953,1081 24.191,1082 3.977,1083 15.105,1084 18.959,1085 6.504,1086 30.494,1087 14.435,1088 2.079,1089 7.813,1090 26.109,1091 3.528,1092 16.297,1093 20.492,1094 6.97,1095 32.983,1096 15.561,1097 1.768,1098 6.225,1099 28.032,1100 2.941,1101 17.508,1102 22.05,1103 7.562,1104 35.491,1105 16.708,1106 1.691,1107 5.372,1108 29.959,1109 2.704,1110 18.714,1111 23.598,1112 8.059,1113 37.993,1114 17.847,1115 7444,1116 11960,1117 19.709,1118 32.79,1119 46.311,1120 48.002,1121 48.774,1122 45.782,1123 45.785,1124 59.726,1125 6.457,1126 139.944,1127 44.068,1128 5.782,1129 5.857,1130 7.051,1131 5.46,1132 5.437,1133 7.801,1134 3.02,1135 20.272,1136 5.223,1137 14.782,1138 1.544,1139 1.6,1140 1.626,1141 1.526,1142 1.526,1143 1.991,1144 0.215,1145 4.665,1146 1.469,1147 4.215,1148 4.267,1149 4.199,1150 4.038,1151 7.447,1152 4.069,1153 3.889,1154 3.921,1155 3.834,1156 3.799,1157 7.411,1158 3.807,1159 3.721,1160 3.785,1161 3.625,1162 3.571,1163 5.047,1164 3.561,1165 3.616,1166 3.678,1167 3.483,1168 3.391,1169 4.716,1170 3.42,1171 3.294,1172 3.381,1173 3.148,1174 3.088,1175 4.259,1176 3.079,1177 3.2,1178 3.274,1179 3.076,1180 3.025,1181 4.148,1182 3.002,1183 3.17,1184 3.257,1185 2.974,1186 2.936,1187 3.903,1188 2.947,1189 3.04,1190 3.087,1191 2.928,1192 2.847,1193 3.868,1194 2.88,1195 0.161,1196 0.129,1197 0.238,1198 0.146,1199 0.115,1200 4.836,1201 0.16,1202 3.857,1203 0.057,1204 7.143,1205 0.416,1206 4.373,1207 0.107,1208 3.437,1209 4.801,1210 1.713,1211 12.486,1212 3.223,1213 1.949,1214 1.922,1215 2.061,1216 2.043,1217 1.334,1218 2.048,1219 1.753,1220 1.688,1221 1.998,1222 1.962,1223 1.178,1224 1.952,1225 1.718,1226 1.68,1227 1.797,1228 1.924,1229 0.96,1230 1.908,1231 1.52,1232 1.447,1233 1.738,1234 1.769,1235 0.902,1236 1.755,1237 1.412,1238 1.351,1239 1.589,1240 1.641,1241 0.682,1242 1.636,1243 1.209,1244 1.129,1245 1.552,1246 1.418,1247 0.61,1248 1.469,1249 1.164,1250 1.086,1251 1.417,1252 1.408,1253 0.585,1254 1.413,1255 1.095,1256 1.011,1257 1.357,1258 1.387,1259 0.374,1260 1.403,1261 4.111,1263 5.468,1264 3.045,1265 7.029,1266 5.533,1267 8.695,1268 7.758,1269 10.421,1271 5.874,1277 4.083,1278 2.374,1282 1.382,1289 31.278,1290 78.103,1291 184.341,1292 240.418,1293 257.928,1294 259.928,1295 259.928,1296 45.993,1297 7.838,1298 77.09,1299 77.09,1300 22,1301 12.961,1302 4.17,1303 3.392,1304 39.803,1305 88,1306 105,1307 0.228,1308 191.588,1309 323.88,1310 459.236,1311 24122,1313 19.129,1314 0.708,1315 0.586,1316 19.129,1317 15.821,1318 13.024,1319 0.434,1320 0.31,1321 9.153,1322 12.502,1323 8.873,1324 7.438,1325 13.024,1326 9.292,1327 11.839,1328 0.269,1329 0.158,1330 11.839,1331 6.96,1332 10.57,1333 0.165,1334 0.08,1335 10.57,1336 5.122,1337 9.201,1338 0.1,1339 0.039,1340 9.201,1341 3.618,1342 7.545,1343 0.061,1344 0.02,1345 7.545,1346 2.471,1347 0.342,1348 81.813,1349 0.225,1350 25.151,1351 0.682,1352 148,1353 420.384,1354 164.834,1355 406.273,1356 567.88,1357 380,1358 182,1359 437.907,1360 200.974,1361 440.975,1362 660.52,1363 415,1364 6.695}
{0 CHEMBL2333594,1 1.54,2 9.357,3 5.039,4 25.394,5 107.787,6 7.161,7 0.484,8 4.068,9 4.201,10 3.609,11 3.567,12 5.122,13 3.55,14 4.635,15 4.835,16 4.006,17 3.983,18 5.664,19 3.94,20 4.859,21 5.077,22 4.103,23 4.124,24 5.877,25 4.068,26 4.95,27 5.176,28 4.107,29 4.138,30 6.109,31 4.075,32 4.939,33 5.185,34 4.007,35 4.129,36 5.873,37 4.043,38 4.915,39 5.155,40 3.931,41 4.126,42 5.841,43 4.028,44 4.917,45 5.158,46 3.889,47 4.119,48 5.852,49 4.012,50 4.91,51 5.148,52 3.84,53 4.074,54 5.902,55 3.96,56 0.009,57 0.827,58 11.451,59 4.471,60 5.869,61 6.386,62 0.388,63 1.333,64 22.318,65 7.822,66 24.77,67 11.379,68 0.264,69 1.557,70 28.581,71 9.83,72 29.451,73 14.414,74 0.59,75 1.65,76 32.223,77 9.778,78 84.105,79 14.722,80 0.408,81 1.632,82 31.877,83 9.932,84 34.905,85 15.213,86 0.364,87 1.579,88 30.971,89 10.055,90 38.891,91 15.059,92 0.297,93 1.549,94 31.028,95 10.484,96 39.691,97 15.437,98 0.279,99 1.492,100 30.982,101 10.586,102 47.805,103 15.385,104 31,105 45,106 0.255,107 0.598,108 0.786,109 0.855,110 0.873,111 0.873,112 3.376,113 0.948,114 -4.95,115 -4.86,116 -4.55,118 39.6,119 2,120 4,123 1,124 1,138 4,139 2,143 1,147 1,148 2,153 1,154 1,157 1,167 11,170 5,171 2,173 3,178 11,181 2,182 4,184 1,188 7,191 5,192 9,195 1,199 3,203 2,204 9,206 1,211 3,214 1,215 10,220 1,223 6,228 9,233 3,235 7,240 12,245 4,247 7,252 7,257 2,260 6,264 1248,265 18.974,266 18.974,267 18.974,268 18.974,269 18.974,270 17.016,271 17.548,272 11.203,273 19.323,274 15.254,275 15.254,276 15.254,277 15.254,278 15.254,279 12.046,280 17.469,281 5.277,282 15.837,283 4.188,284 2.119,285 0.986,286 0.571,287 0.458,288 0.458,289 4.069,293 1,294 1,295 562,296 3.24,299 92.648,300 140.153,302 76.219,303 92.28,306 124.664,307 1.357,308 25.651,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 60.5,320 262,321 4.836,322 3.857,323 7.143,324 4.373,325 3.437,326 4.801,327 1.713,328 12.486,329 3.223,330 4.385,331 3.435,332 6.721,333 4.039,334 3.072,335 3.977,336 1.001,337 10.874,338 2.977,339 4.044,340 3.278,341 6.2,342 3.649,343 2.69,344 3.528,345 0.514,346 8.953,347 2.563,348 3.682,349 2.91,350 5.888,351 3.333,352 2.367,353 2.941,355 7.813,356 2.277,357 3.444,358 2.598,359 5.273,360 3.048,361 2.079,362 2.704,364 6.226,365 1.999,366 3.101,367 2.086,368 5.107,369 2.798,370 1.807,371 2.296,373 5.372,374 1.791,375 3.064,376 1.855,377 4.833,378 2.669,379 1.699,380 2.22,382 4.949,383 1.641,384 2.86,385 1.696,386 4.141,387 2.522,388 1.564,389 2.014,391 3.522,392 1.487,393 2.756,394 1.493,395 3.812,396 2.414,397 1.414,398 1.77,400 3.168,401 1.414,402 2.581,403 1.276,404 3.637,405 2.152,406 1.19,407 1.61,409 2.901,410 1.141,411 2.213,412 1.219,413 3.567,414 1.999,415 1.009,416 1.166,417 2.203,418 0.997,419 1.901,420 0.97,421 3.347,422 1.541,423 0.591,424 0.709,425 1.395,426 0.559,427 1.843,428 0.842,429 3.124,430 1.489,431 0.487,432 0.627,433 1.158,434 0.48,435 1.246,436 0.661,437 2.766,438 1.049,439 0.076,440 0.086,441 0.147,442 0.074,443 1.082,444 0.144,445 2.563,446 0.818,447 -0.171,448 -0.206,449 -0.377,450 -0.169,451 13.167,452 0.47,453 0.734,454 0.026,455 34.75,456 1.241,457 15.5,458 0.554,459 19.25,460 0.688,461 26.074,462 0.931,463 30.633,464 0.578,465 26.53,466 0.948,467 6.472,468 0.231,469 7.052,470 0.252,471 0.165,473 0.395,478 0.735,479 1.599,480 0.801,481 1.215,482 0.531,483 1.042,484 0.503,485 0.955,486 0.755,487 0.899,488 0.45,489 0.866,490 0.789,491 1.176,492 0.779,493 1.017,494 0.789,495 0.916,496 0.94,497 1.067,498 0.96,499 0.969,500 0.846,501 0.96,502 0.842,503 1.038,504 0.958,505 0.962,506 0.619,507 0.961,508 0.97,509 0.999,510 1.055,511 0.983,512 0.765,513 1.013,514 0.987,515 1.012,516 1.065,517 1.049,518 0.876,519 1.058,520 1.069,521 1.123,522 1.092,523 1.16,524 1.088,525 1.137,526 4.5,527 0.127,528 3.556,529 2.799,530 2.128,531 1.341,532 0.751,533 0.633,534 0.419,535 0.288,536 8536,537 20414,538 2.072,539 47.2,540 12,541 9,542 1,544 1,546 2,549 1.719,550 1.909,551 3.178,552 -0.323,558 81.635,559 1.54,560 3.609,561 4.742,562 5.157,563 5.27,564 5.27,565 2.629,566 4.593,567 4.771,568 3.356,569 1268.61,570 8.351,571 16200.4,573 1,576 303.58,577 1.497,578 4.723,579 0.145,580 0.008,581 0.079,582 0.057,583 0.045,584 0.031,585 0.019,586 0.017,587 0.012,588 0.011,589 0.424,590 0.17,591 1,592 1.474,593 137.368,594 -0.021,595 -0.344,596 0.07,597 -0.123,598 -0.024,599 -0.032,600 0.343,601 0.198,602 0.181,603 0.108,604 0.133,605 0.109,606 0.11,607 -0.122,608 0.174,609 -0.005,610 0.045,611 0.076,612 0.178,613 -0.007,614 0.029,615 -0.015,616 0.202,617 -0.015,618 0.032,619 0.008,620 0.01,621 0.001,622 0.025,623 0.005,624 -0.095,625 0.04,626 -0.095,628 -0.035,629 -0.036,630 -0.122,632 -0.107,633 -0.05,634 -0.06,635 -0.067,636 -0.107,637 -0.145,638 -0.125,639 -0.154,640 -0.052,641 -0.143,642 2.119,643 5.511,644 0.643,645 26.398,646 1,647 1.133,648 3.723,649 13.861,650 0.652,651 3.466,652 3.829,653 4.19,654 4.543,655 4.828,656 5.069,657 5.298,658 5.476,659 5.602,660 5.638,661 5.8,662 0.619,663 379.51,664 3.466,665 5.03,666 5.922,667 6.841,668 7.763,669 8.699,670 9.636,671 10.581,672 11.526,673 12.476,674 9.4,681 2,682 2,684 1,689 1,690 5,691 1,695 5,696 1,697 15,716 53,718 17,719 1,720 31,722 56,723 21,724 11,725 2,726 4,727 1,728 4,729 7,731 1,732 2,738 4,740 13,741 8,744 2,749 2,753 2,760 25,761 5,762 1,763 7,766 2,769 5,772 1,775 0.5,776 2,793 2,794 2,796 1,797 1,800 1,819 2,823 3,827 28,833 5,834 1,838 1,850 3.8,853 2,858 14.667,859 10.55,860 6.194,861 3.558,863 3.018,864 1.382,865 0.998,866 5.088,867 10.914,868 3.726,869 4.363,870 5.039,871 5.737,872 6.298,873 6.83,874 7.357,875 7.75,876 8.154,877 8.433,878 1,879 49,880 10.407,881 4.481,882 7.726,883 20.023,884 16.658,885 2.226,886 62.333,889 1,890 282.506,891 109.723,892 41.106,894 50.29,897 109.723,898 332.796,899 41.106,900 26.047,901 33.379,902 46.952,903 71.78,904 10.843,905 23.888,906 270.735,908 282.506,909 150.829,910 50.29,913 258.964,914 73.832,917 55.501,918 78.542,919 16.786,921 282.506,922 91.396,923 109.723,926 282.506,927 36.723,928 79.309,929 18.011,930 67.075,931 282.506,932 91.396,933 109.723,935 0.582,936 0.353,937 0.198,938 0.112,939 23,940 11,941 0.107,942 6,943 2,944 1.222,945 3.799,946 259.842,947 0.222,948 18,949 130.606,954 18.913,955 7.533,956 3.203,957 0.691,958 88.21,959 10.186,960 4.68,964 4.135,965 2.169,966 18.011,967 483.625,968 40.5,973 24.477,977 -0.864,980 53,981 60.062,983 0.269,984 0.63,985 0.828,986 0.9,987 0.92,988 0.92,989 4.989,990 1.564,991 5.932,992 4.949,993 4.511,994 5.05,995 2.123,996 6.836,997 4.431,998 6.218,999 1.414,1000 7.548,1001 3.522,1002 4.205,1003 5.027,1004 1.305,1005 7.915,1006 4.068,1007 7.557,1008 1.19,1009 9.27,1010 3.168,1011 6.18,1012 7.338,1013 2.693,1014 11.109,1015 5.999,1016 8.941,1017 1.009,1018 11.054,1019 2.901,1020 6.735,1021 8.199,1022 2.473,1023 13.036,1024 6.486,1025 10.362,1026 0.591,1027 12.878,1028 2.203,1029 8.196,1030 10.01,1031 3.51,1032 15.76,1033 7.9,1034 11.812,1035 0.487,1036 14.728,1037 1.395,1038 9.128,1039 11.261,1040 3.63,1041 18.024,1042 8.764,1043 13.284,1044 0.076,1045 16.597,1046 1.158,1047 10.412,1048 12.898,1049 4.453,1050 20.596,1051 9.995,1052 3.437,1053 -0.171,1054 18.481,1055 0.147,1056 11.506,1057 14.322,1058 4.762,1059 22.999,1060 11.022,1061 3.072,1062 12.486,1063 20.376,1064 -0.377,1065 12.732,1066 15.9,1067 5.462,1068 25.522,1069 12.19,1070 2.69,1071 10.874,1072 22.28,1073 4.801,1074 13.894,1075 17.398,1076 5.873,1077 27.985,1078 13.285,1079 2.367,1080 8.953,1081 24.191,1082 3.977,1083 15.105,1084 18.959,1085 6.504,1086 30.494,1087 14.436,1088 2.079,1089 7.813,1090 26.109,1091 3.528,1092 16.297,1093 20.492,1094 6.97,1095 32.983,1096 15.561,1097 1.807,1098 6.226,1099 28.032,1100 2.941,1101 17.508,1102 22.05,1103 7.562,1104 35.491,1105 16.708,1106 1.699,1107 5.372,1108 29.959,1109 2.704,1110 18.714,1111 23.598,1112 8.059,1113 37.993,1114 17.847,1115 8351,1116 13194,1117 20.403,1118 34.552,1119 47.455,1120 49.235,1121 50.104,1122 46.966,1123 46.966,1124 60.897,1125 6.457,1126 142.333,1127 45.25,1128 5.782,1129 5.857,1130 7.078,1131 5.46,1132 5.437,1133 7.801,1134 3.02,1135 20.272,1136 5.223,1137 15.241,1138 1.531,1139 1.588,1140 1.616,1141 1.515,1142 1.515,1143 1.964,1144 0.208,1145 4.591,1146 1.46,1147 4.215,1148 4.268,1149 4.199,1150 4.038,1151 7.447,1152 4.069,1153 3.889,1154 3.921,1155 3.834,1156 3.799,1157 7.411,1158 3.807,1159 3.741,1160 3.806,1161 3.628,1162 3.605,1163 5.047,1164 3.59,1165 3.64,1166 3.699,1167 3.525,1168 3.414,1169 4.716,1170 3.444,1171 3.387,1172 3.47,1173 3.208,1174 3.201,1175 4.259,1176 3.189,1177 3.212,1178 3.283,1179 3.102,1180 3.026,1181 4.172,1182 3.004,1183 3.171,1184 3.257,1185 3.005,1186 2.952,1187 3.908,1188 2.966,1189 3.072,1190 3.136,1191 2.951,1192 2.848,1193 3.896,1194 2.885,1195 0.156,1196 0.124,1197 0.23,1198 0.141,1199 0.111,1200 4.836,1201 0.155,1202 3.857,1203 0.055,1204 7.143,1205 0.403,1206 4.373,1207 0.104,1208 3.437,1209 4.801,1210 1.713,1211 12.486,1212 3.223,1213 1.949,1214 1.922,1215 2.063,1216 2.043,1217 1.366,1218 2.049,1219 1.773,1220 1.71,1221 2.017,1222 1.964,1223 1.188,1224 1.967,1225 1.718,1226 1.68,1227 1.81,1228 1.934,1229 1.055,1230 1.909,1231 1.571,1232 1.498,1233 1.793,1234 1.803,1235 0.902,1236 1.799,1237 1.423,1238 1.359,1239 1.59,1240 1.664,1241 0.721,1242 1.653,1243 1.273,1244 1.201,1245 1.553,1246 1.488,1247 0.68,1248 1.509,1249 1.207,1250 1.125,1251 1.519,1252 1.418,1253 0.602,1254 1.469,1255 1.098,1256 1.017,1257 1.359,1258 1.406,1259 0.44,1260 1.403,1261 4.143,1263 5.493,1264 3.045,1265 7.047,1266 5.533,1267 8.707,1268 7.758,1269 10.429,1271 5.906,1277 5.372,1278 2.381,1282 1.387,1289 32.805,1290 81.635,1291 191.26,1292 251.315,1293 273.315,1294 279.315,1295 279.315,1296 48.993,1297 7.895,1298 77.09,1299 77.09,1300 22,1301 12.967,1302 4.17,1303 3.392,1304 42.036,1305 94,1306 126,1307 0.221,1308 201.181,1309 341.18,1310 482.641,1311 26109,1313 19.836,1314 0.708,1315 0.59,1316 19.836,1317 16.528,1318 13.524,1319 0.436,1320 0.316,1321 9.653,1322 13.002,1323 9.363,1324 7.854,1325 13.524,1326 9.792,1327 12.192,1328 0.271,1329 0.163,1330 12.192,1331 7.314,1332 10.82,1333 0.166,1334 0.083,1335 10.82,1336 5.372,1337 9.378,1338 0.101,1339 0.041,1340 9.378,1341 3.795,1342 7.679,1343 0.062,1344 0.021,1345 7.679,1346 2.615,1347 0.333,1348 84.813,1349 0.221,1350 26.078,1351 0.652,1352 152,1353 424.384,1354 168.834,1355 410.435,1356 573.64,1357 384,1358 186,1359 441.907,1360 204.974,1361 445.137,1362 666.28,1363 419,1364 5.886}
{0 CHEMBL2333595,1 1.709,2 9.037,3 4.332,4 18.769,5 98.802,6 7.86,7 0.5,8 3.974,9 4.098,10 3.586,11 3.46,12 5.119,13 3.47,14 4.53,15 4.718,16 4.012,17 3.875,18 5.69,19 3.87,20 4.738,21 4.93,22 4.111,23 4.015,24 5.914,25 4.003,26 4.836,27 5.042,28 4.113,29 4.031,30 6.124,31 4.009,32 4.828,33 5.055,34 3.989,35 4.025,36 5.891,37 3.974,38 4.79,39 5.007,40 3.922,41 4.028,42 5.847,43 3.955,44 4.821,45 5.05,46 3.852,47 3.993,48 5.893,49 3.907,50 4.786,51 5.025,52 3.742,53 3.868,54 5.933,55 3.776,56 0.083,57 0.815,58 8.796,59 3.847,60 8.571,61 5.022,62 0.443,63 1.301,64 18.387,65 6.699,66 27.144,67 9.087,68 0.449,69 1.532,70 23.488,71 8.359,72 47.33,73 11.11,74 0.726,75 1.581,76 26.839,77 8.314,78 89.681,79 11.507,80 0.624,81 1.559,82 27.319,83 8.51,84 50.488,85 11.933,86 0.524,87 1.492,88 25.487,89 8.828,90 43.216,91 12.352,92 0.537,93 1.51,94 27.367,95 9.467,96 61.111,97 12.957,98 0.559,99 1.386,100 27.765,101 9.417,102 78.244,103 12.776,104 40,105 45,106 0.29,107 0.663,108 0.838,109 0.869,110 0.869,111 0.869,112 3.342,113 0.889,114 -4.88,115 -4.79,116 -4.5,118 40.4,119 2,120 2,123 1,124 1,138 3,139 2,140 1,143 1,147 1,148 2,153 1,154 1,157 1,167 7,170 5,171 2,173 3,178 7,181 2,182 4,184 1,188 3,191 5,192 9,195 1,199 2,203 2,204 7,206 1,211 3,214 1,215 8,220 1,223 6,228 6,233 3,235 5,240 10,245 4,247 3,252 4,257 1,264 1015,265 18.008,266 18.008,267 18.008,268 18.008,269 18.008,270 16.024,271 19.175,272 10.336,273 18.419,274 14.738,275 14.738,276 14.738,277 14.738,278 14.738,279 11.457,280 19.119,281 4.847,282 15.442,283 3.846,284 1.646,285 0.617,286 0.431,287 0.431,288 0.431,289 4.031,293 1,294 1,295 525,296 3,299 87.413,300 135.526,302 71.871,303 87.622,306 118.002,307 1.374,308 35.119,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 60,320 244,321 4.837,322 3.857,323 7.143,324 4.374,325 3.438,326 4.801,327 1.713,328 12.486,329 3.224,330 4.4,331 3.436,332 6.723,333 4.05,334 3.082,335 4.021,336 1.001,337 10.884,338 2.988,339 4.092,340 3.288,341 6.209,342 3.688,343 2.734,344 3.59,345 0.514,346 9.005,347 2.59,348 3.71,349 3.023,350 5.896,351 3.354,352 2.394,353 2.997,355 7.85,356 2.29,357 3.542,358 2.747,359 5.324,360 3.133,361 2.18,362 2.844,364 6.459,365 2.06,366 3.346,367 2.497,368 5.138,369 2.958,370 2.004,371 2.57,373 5.903,374 1.891,375 3.06,376 2.074,377 4.974,378 2.66,379 1.69,380 2.219,382 5.161,383 1.633,384 2.989,385 1.803,386 4.71,387 2.584,388 1.612,389 2.155,391 4.682,392 1.56,393 2.69,394 1.491,395 4.132,396 2.346,397 1.383,398 1.762,400 3.399,401 1.324,402 2.504,403 1.3,404 3.802,405 2.168,406 1.195,407 1.498,409 2.799,410 1.157,411 1.983,412 1.131,413 3.381,414 1.642,415 0.694,416 0.838,417 1.682,418 0.655,419 1.895,420 0.896,421 3.345,422 1.494,423 0.497,424 0.637,425 1.19,426 0.488,427 1.352,428 0.768,429 2.913,430 1.065,431 0.1,432 0.12,433 0.205,434 0.096,435 1.193,436 0.332,437 2.628,438 0.92,439 -0.042,440 -0.05,441 -0.091,442 -0.039,443 1,444 0.146,445 2.427,446 0.531,447 -0.512,448 -0.621,449 -1.241,450 -0.472,451 12.452,452 0.461,453 0.84,454 0.031,455 34.5,456 1.278,457 15.5,458 0.574,459 19,460 0.704,461 23.746,462 0.879,463 29.548,464 0.629,465 27.372,466 1.014,467 6.676,468 0.247,469 6.242,470 0.231,471 0.197,473 0.458,477 1,478 0.658,479 1.412,480 0.699,481 1.188,482 0.514,483 0.992,484 0.521,485 0.883,486 0.641,487 0.826,488 0.463,489 0.772,490 0.89,491 1.153,492 0.801,493 1.027,494 0.874,495 0.918,496 0.881,497 1.006,498 0.956,499 0.97,500 0.787,501 0.969,502 0.916,503 0.942,504 1.04,505 0.936,506 0.745,507 0.983,508 0.735,509 0.899,510 1.046,511 1.066,512 0.635,513 1.113,514 0.882,515 0.972,516 1.09,517 1.131,518 0.869,519 1.153,520 0.999,521 1.064,522 1.057,523 1.185,524 1.074,525 1.157,526 5.5,527 0.062,528 3.778,529 2.986,530 2.319,531 1.452,532 0.841,533 0.72,534 0.384,535 0.28,536 7553,537 22767,538 2.053,539 42.6,540 8,541 8,542 1,544 1,546 2,549 1.709,550 1.862,551 3.131,552 -0.272,554 1,558 80.307,559 1.709,560 3.909,561 4.937,562 5.123,563 5.123,564 5.123,565 2.68,566 4.607,567 4.722,568 3.286,569 1153.54,570 8.247,571 14093.6,573 1,575 1,576 261.066,577 1.53,578 4.656,579 0.183,580 0.006,581 0.084,582 0.061,583 0.049,584 0.035,585 0.022,586 0.021,587 0.013,588 0.014,589 0.487,590 0.17,591 1,592 1.187,593 130.094,594 -0.049,595 -0.308,596 0.057,597 -0.135,598 -0.036,599 -0.038,600 0.209,601 0.142,602 0.226,603 0.154,604 0.104,605 0.177,606 -0.01,607 -0.121,608 0.106,609 -0.024,610 -0.03,611 0.049,612 0.05,613 -0.041,614 -0.022,615 -0.032,616 0.091,617 -0.041,618 -0.081,619 0.052,620 -0.102,621 0.016,622 -0.049,623 -0.028,624 -0.03,625 0.014,626 -0.146,627 -0.079,628 -0.012,629 -0.127,630 -0.062,631 -0.03,632 -0.147,633 -0.132,634 -0.065,635 -0.151,636 -0.036,637 -0.14,638 -0.062,639 -0.177,640 -0.038,641 -0.139,642 2.164,643 5.552,644 0.667,645 23.059,646 1.016,647 1.14,648 3.655,649 13.358,650 0.659,651 3.434,652 3.829,653 4.19,654 4.554,655 4.844,656 5.094,657 5.298,658 5.476,659 5.602,660 5.631,661 5.5,662 0.641,663 369.44,664 3.434,665 5.017,666 5.916,667 6.847,668 7.774,669 8.717,670 9.655,671 10.605,672 11.55,673 12.502,674 10.6,681 2,682 2,684 1,689 1,690 4,691 1,695 6,696 1,697 15,715 1,716 47,718 17,719 1,720 30,722 50,723 19,724 11,725 3,726 3,727 1,728 4,729 7,731 1,732 2,738 2,740 13,741 6,744 2,749 2,753 2,757 1,758 1,760 20,761 6,762 1,763 8,766 2,769 5,772 1,775 0.5,776 2,793 2,794 2,796 1,797 1,800 1,819 2,823 3,825 1,827 27,833 3,834 1,838 1,849 1,850 4.3,853 2,858 14.5,859 9.61,860 5.861,861 3.038,863 3.058,864 1.389,865 1.01,866 4.368,867 10.928,868 3.701,869 4.376,870 5.055,871 5.759,872 6.325,873 6.869,874 7.376,875 7.782,876 8.204,877 8.497,878 1,879 49,880 10.048,881 4.436,882 7.981,883 18.811,884 15.694,885 2.481,886 67,889 1,890 223.651,891 104.298,892 41.106,894 50.29,895 14.96,897 104.298,898 273.941,899 56.066,900 26.047,901 28.31,902 37.476,903 71.78,904 19.964,905 38.848,906 211.88,908 223.651,909 145.404,910 65.25,913 215.069,914 73.832,917 50.432,918 78.187,919 16.786,921 238.611,922 91.396,923 104.298,926 223.651,927 40.775,928 69.833,929 18.011,930 82.035,931 223.651,932 106.356,933 104.298,935 0.593,936 0.36,937 0.204,938 0.12,939 24,940 12,941 0.08,942 4,943 2,944 1.222,945 3.647,946 252.017,947 0.222,948 18,949 128.382,954 17.897,955 6.59,956 2.783,957 0.587,958 103.171,959 6.491,960 4.577,964 2.921,965 2.021,966 18.011,967 434.305,968 39.5,973 24.311,977 -0.974,980 47.745,981 53.572,983 0.308,984 0.704,985 0.889,986 0.922,987 0.922,988 0.922,989 4.982,990 1.612,991 5.948,992 5.161,993 4.511,994 5.063,995 2.123,996 6.866,997 4.416,998 6.234,999 1.383,1000 7.576,1001 4.682,1002 4.29,1003 5.112,1004 1.305,1005 7.953,1006 4.138,1007 7.587,1008 1.195,1009 9.304,1010 3.399,1011 6.205,1012 7.377,1013 2.693,1014 11.135,1015 6.006,1016 8.979,1017 0.694,1018 11.089,1019 2.799,1020 6.792,1021 8.258,1022 2.473,1023 13.052,1024 6.532,1025 10.405,1026 0.497,1027 12.91,1028 1.682,1029 8.227,1030 10.049,1031 3.51,1032 15.774,1033 7.918,1034 11.856,1035 0.1,1036 14.756,1037 1.19,1038 9.169,1039 11.303,1040 3.63,1041 18.032,1042 8.797,1043 13.327,1044 -0.042,1045 16.621,1046 0.205,1047 10.44,1048 12.931,1049 4.453,1050 20.604,1051 10.017,1052 3.438,1053 -0.512,1054 18.501,1055 -0.091,1056 11.535,1057 14.353,1058 4.762,1059 23.005,1060 11.048,1061 3.082,1062 12.486,1063 20.393,1064 -1.241,1065 12.756,1066 15.926,1067 5.462,1068 25.527,1069 12.212,1070 2.734,1071 10.884,1072 22.294,1073 4.801,1074 13.917,1075 17.422,1076 5.873,1077 27.989,1078 13.309,1079 2.394,1080 9.005,1081 24.203,1082 4.021,1083 15.126,1084 18.98,1085 6.504,1086 30.498,1087 14.457,1088 2.18,1089 7.85,1090 26.119,1091 3.59,1092 16.316,1093 20.51,1094 6.97,1095 32.986,1096 15.583,1097 2.004,1098 6.459,1099 28.04,1100 2.997,1101 17.525,1102 22.066,1103 7.562,1104 35.494,1105 16.729,1106 1.69,1107 5.903,1108 29.967,1109 2.844,1110 18.73,1111 23.613,1112 8.059,1113 37.996,1114 17.868,1115 7393,1116 13005,1117 19.422,1118 30.966,1119 46.567,1120 48.522,1121 49.555,1122 46.07,1123 46.01,1124 60.104,1125 6.457,1126 143.41,1127 43.914,1128 5.782,1129 5.857,1130 7.002,1131 5.461,1132 5.438,1133 7.801,1134 3.02,1135 20.276,1136 5.224,1137 16.204,1138 1.552,1139 1.617,1140 1.652,1141 1.536,1142 1.534,1143 2.003,1144 0.215,1145 4.78,1146 1.464,1147 4.215,1148 4.267,1149 4.199,1150 4.037,1151 8.201,1152 4.069,1153 3.898,1154 3.927,1155 3.858,1156 3.798,1157 7.447,1158 3.811,1159 3.703,1160 3.763,1161 3.631,1162 3.528,1163 7.411,1164 3.528,1165 3.577,1166 3.644,1167 3.424,1168 3.36,1169 5.044,1170 3.382,1171 3.229,1172 3.303,1173 3.126,1174 3.025,1175 4.611,1176 3.013,1177 3.182,1178 3.264,1179 3.073,1180 2.979,1181 4.24,1182 2.988,1183 3.141,1184 3.225,1185 2.978,1186 2.867,1187 4.111,1188 2.896,1189 3.009,1190 3.064,1191 2.84,1192 2.844,1193 3.871,1194 2.84,1195 0.161,1196 0.129,1197 0.238,1198 0.146,1199 0.115,1200 4.837,1201 0.16,1202 3.857,1203 0.057,1204 7.143,1205 0.416,1206 4.374,1207 0.107,1208 3.438,1209 4.801,1210 1.713,1211 12.486,1212 3.224,1213 1.943,1214 1.918,1215 2.041,1216 2.043,1217 1.29,1218 2.041,1219 1.725,1220 1.68,1221 1.966,1222 1.96,1223 1.16,1224 1.931,1225 1.717,1226 1.658,1227 1.795,1228 1.912,1229 0.902,1230 1.906,1231 1.467,1232 1.394,1233 1.645,1234 1.731,1235 0.829,1236 1.707,1237 1.383,1238 1.324,1239 1.588,1240 1.603,1241 0.68,1242 1.605,1243 1.202,1244 1.123,1245 1.532,1246 1.419,1247 0.589,1248 1.463,1249 1.1,1250 1.021,1251 1.354,1252 1.406,1253 0.446,1254 1.402,1255 1.004,1256 0.913,1257 1.285,1258 1.256,1259 0.353,1260 1.282,1261 4.111,1263 5.485,1264 3.045,1265 7.055,1266 5.533,1267 8.727,1268 7.758,1269 10.457,1271 5.529,1273 13.552,1277 2.621,1278 2.322,1282 1.33,1289 30.134,1290 80.307,1291 183.707,1292 232.046,1293 240.801,1294 240.801,1295 240.801,1296 53.701,1297 7.869,1298 77.09,1299 77.09,1300 22,1301 12.991,1302 4.17,1303 3.392,1304 39.846,1305 89,1306 93,1307 0.23,1308 183.194,1309 312.65,1310 438.754,1311 24894,1312 2.1,1313 19.292,1314 0.715,1315 0.571,1316 18.422,1317 15.414,1318 12.918,1319 0.431,1320 0.296,1321 8.728,1322 12.277,1323 8.476,1324 7.071,1325 12.524,1326 8.892,1327 12.119,1328 0.269,1329 0.15,1330 11.485,1331 6.751,1332 10.64,1333 0.164,1334 0.076,1335 10.32,1336 4.915,1337 9.354,1338 0.1,1339 0.037,1340 9.011,1341 3.469,1342 7.619,1343 0.06,1344 0.019,1345 7.47,1346 2.411,1347 0.344,1348 82.042,1349 0.227,1350 25.096,1351 0.685,1352 150,1353 510.495,1354 170.665,1355 464.269,1356 633.49,1357 432,1358 185,1359 477.24,1360 206.884,1361 473.461,1362 708.3,1363 445,1364 7.104}
{0 CHEMBL2333597,1 1.738,2 8.462,3 4.305,4 18.533,5 98.349,6 8.451,7 0.517,8 3.914,9 4.033,10 3.592,11 3.433,12 5.041,13 3.436,14 4.463,15 4.641,16 4.023,17 3.855,18 5.596,19 3.836,20 4.679,21 4.87,22 4.148,23 3.991,24 5.815,25 3.961,26 4.742,27 4.936,28 4.155,29 3.978,30 6.046,31 3.95,32 4.701,33 4.909,34 4.056,35 3.971,36 5.773,37 3.916,38 4.667,39 4.859,40 3.969,41 3.974,42 5.756,43 3.896,44 4.691,45 4.902,46 3.862,47 3.94,48 5.743,49 3.835,50 4.656,51 4.881,52 3.825,53 3.797,54 5.813,55 3.687,56 0.075,57 0.701,58 7.37,59 3.505,60 6.861,61 4.446,62 0.417,63 1.131,64 16.297,65 6.178,66 23.097,67 8.214,68 0.399,69 1.288,70 23.368,71 8.136,72 35.459,73 10.675,74 0.732,75 1.33,76 26.585,77 7.657,78 83.591,79 10.01,80 0.537,81 1.287,82 25.758,83 7.811,84 33.921,85 10.463,86 0.464,87 1.226,88 24.116,89 8.057,90 41.015,91 10.429,92 0.413,93 1.19,94 25.748,95 8.818,96 45.942,97 11.46,98 0.57,99 1.046,100 28.712,101 8.632,102 67.711,103 11.308,104 29,105 43,106 0.299,107 0.67,108 0.823,109 0.87,110 0.877,111 0.877,112 3.306,113 0.916,114 -4.77,115 -4.68,116 -4.4,118 40.9,119 1,120 2,123 1,124 1,138 4,139 1,140 1,143 1,147 1,148 2,153 1,154 1,157 1,167 6,170 5,171 2,173 3,178 7,181 2,182 3,184 1,188 4,191 5,192 8,195 1,199 2,203 2,204 7,206 1,211 2,214 1,215 9,220 1,223 5,228 5,233 2,235 5,240 10,245 4,247 4,252 5,257 2,260 1,264 896,265 17.56,266 17.56,267 17.56,268 17.56,269 17.56,270 15.601,271 16.724,272 10.203,273 18.019,274 14.254,275 14.254,276 14.254,277 14.254,278 14.254,279 11.046,280 16.64,281 4.773,282 15.071,283 3.721,284 1.56,285 0.671,286 0.398,287 0.352,288 0.352,289 3.998,290 1,293 1,294 1,295 474,296 2.915,299 82.087,300 127.618,302 67.478,303 82.115,306 110.745,307 1.349,308 28.644,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 56.833,320 220,321 4.836,322 3.857,323 7.143,324 4.372,325 3.437,326 4.801,327 1.713,328 12.486,329 3.215,330 4.385,331 3.44,332 6.721,333 4.025,334 3.072,335 3.977,336 1.001,337 10.874,338 2.92,339 4.044,340 3.311,341 6.2,342 3.62,343 2.69,344 3.527,345 0.514,346 8.953,347 2.484,348 3.682,349 3.041,350 5.888,351 3.325,352 2.366,353 2.941,355 7.813,356 2.256,357 3.444,358 2.661,359 5.273,360 3.037,361 2.078,362 2.704,364 6.225,365 1.973,366 3.101,367 2.107,368 5.107,369 2.693,370 1.735,371 2.296,373 5.372,374 1.657,375 3.06,376 1.952,377 4.833,378 2.633,379 1.674,380 2.218,382 4.945,383 1.593,384 2.86,385 1.572,386 4.137,387 2.351,388 1.414,389 2.014,391 3.345,392 1.324,393 2.632,394 1.491,395 3.77,396 2.346,397 1.383,398 1.669,400 3.002,401 1.251,402 2.468,403 1.222,404 3.578,405 2.074,406 1.102,407 1.458,409 2.605,410 1.067,411 1.976,412 1.089,413 3.381,414 1.613,415 0.66,416 0.814,417 1.622,418 0.624,419 1.889,420 0.86,421 3.344,422 1.491,423 0.497,424 0.635,425 1.19,426 0.487,427 1.298,428 0.73,429 2.842,430 1.061,431 0.094,432 0.11,433 0.181,434 0.091,435 1.09,436 0.324,437 2.569,438 0.681,439 -0.178,440 -0.215,441 -0.388,442 -0.124,443 1,444 0.146,445 2.411,446 0.526,447 -0.513,448 -0.642,449 -1.236,450 -0.493,451 12.381,452 0.476,453 0.734,454 0.028,455 34,456 1.308,457 15.5,458 0.596,459 18.5,460 0.712,461 22.218,462 0.855,463 27.819,464 0.632,465 25.761,466 0.991,467 6.504,468 0.25,469 6.02,470 0.232,471 0.192,473 0.42,478 0.713,479 1.607,480 0.589,481 1.067,482 0.522,483 0.924,484 0.526,485 0.92,486 0.599,487 0.765,488 0.467,489 0.77,490 0.861,491 1.182,492 0.75,493 0.932,494 0.833,495 0.845,496 1.035,497 1.015,498 0.984,499 0.897,500 0.929,501 0.902,502 0.912,503 1.004,504 0.998,505 0.94,506 0.717,507 0.951,508 0.994,509 1.044,510 1.117,511 1.083,512 0.871,513 1.124,514 1.028,515 1.05,516 1.125,517 1.138,518 0.964,519 1.176,520 1.007,521 1.009,522 1.111,523 1.182,524 1.141,525 1.146,526 4.5,527 0.037,528 3.556,529 2.799,530 2.128,531 1.341,532 0.751,533 0.592,534 0.331,535 0.193,536 6818,537 20620,538 2.078,539 40.9,540 5,541 9,542 1,544 1,546 2,549 1.7,550 1.902,551 3.053,552 -0.256,554 1,558 76.488,559 1.738,560 3.9,561 4.789,562 5.061,563 5.107,564 5.107,565 2.507,566 4.393,567 4.669,568 3.211,569 1043.7,570 8.141,571 12431.7,573 1,575 1,576 240.215,577 1.513,578 4.611,579 0.155,580 0.006,581 0.083,582 0.06,583 0.047,584 0.033,585 0.02,586 0.019,587 0.012,588 0.011,589 0.446,590 0.17,591 1,592 1.181,593 123.34,594 -0.062,595 -0.389,596 0.034,597 -0.129,598 -0.038,599 -0.039,600 0.26,601 0.233,602 0.141,603 0.151,604 0.11,605 0.133,606 0.036,607 -0.142,608 0.138,609 0.033,610 0.013,611 0.108,612 0.085,613 0.051,614 -0.025,615 0.022,616 0.148,617 -0.005,618 -0.018,619 0.053,620 -0.041,621 0.005,622 -0.015,623 -0.011,624 -0.12,625 -0.005,626 -0.172,627 -0.104,628 -0.079,629 -0.166,630 -0.158,631 -0.079,632 -0.156,633 -0.137,634 -0.104,635 -0.179,636 0.034,637 -0.122,638 -0.005,639 -0.159,640 -0.003,641 -0.122,642 2.144,643 5.4,644 0.692,645 21.231,646 1.015,647 1.131,648 3.541,649 12.535,650 0.685,651 3.401,652 3.784,653 4.159,654 4.522,655 4.812,656 5.05,657 5.268,658 5.434,659 5.541,660 5.549,661 5.29,662 0.66,663 371.86,664 3.401,665 4.977,666 5.878,667 6.806,668 7.735,669 8.677,670 9.618,671 10.567,672 11.514,673 12.466,674 11.4,681 2,682 2,684 1,689 1,690 5,691 1,695 5,696 1,697 15,715 1,716 44,718 17,719 1,720 29,722 47,723 18,724 11,725 2,726 4,727 1,728 4,729 7,730 1,731 1,732 1,738 2,740 13,741 5,744 2,749 2,753 2,757 1,760 18,761 5,762 1,763 8,764 1,766 2,769 5,772 1,775 0.5,776 2,793 2,794 2,796 1,797 1,800 1,819 2,823 2,824 1,827 26,833 3,834 1,838 1,849 1,850 4.5,853 2,858 13.667,859 8.693,860 5.694,861 2.844,863 3.04,864 1.391,865 1.014,866 4.348,867 10.818,868 3.676,869 4.337,870 5.026,871 5.731,872 6.294,873 6.826,874 7.35,875 7.739,876 8.137,877 8.407,878 0.833,879 47,880 9.635,881 4.224,882 7.863,883 18.176,884 15.159,885 2.363,886 61.444,889 1,890 200.109,891 96.143,892 41.106,893 39.149,894 50.29,897 96.143,898 289.547,899 41.106,900 17.222,901 28.31,902 46.952,903 71.78,904 11.158,905 23.888,906 188.338,907 39.149,908 200.109,909 137.249,910 50.29,911 39.149,913 176.567,914 73.832,917 41.607,918 78.857,919 55.934,921 200.109,922 91.396,923 135.292,926 200.109,927 31.969,928 70.484,929 18.011,930 106.224,931 200.109,932 91.396,933 135.292,935 0.588,936 0.362,937 0.207,938 0.121,939 23,940 11,941 0.085,942 4,943 2,944 1.222,945 3.589,946 239.55,947 0.222,948 18,949 122.211,954 17.28,955 6.541,956 2.69,957 0.62,958 88.21,959 9.455,960 4.591,964 3.124,965 2.05,966 18.011,967 426.797,968 38.5,973 24.276,977 -0.927,980 44.673,981 49.761,983 0.318,984 0.714,985 0.877,986 0.927,987 0.935,988 0.935,989 4.947,990 1.414,991 5.9,992 4.945,993 4.466,994 5.024,995 2.123,996 6.819,997 4.352,998 6.19,999 1.383,1000 7.527,1001 3.345,1002 4.205,1003 5.027,1004 1.305,1005 7.915,1006 4.005,1007 7.537,1008 1.102,1009 9.257,1010 3.002,1011 6.155,1012 7.331,1013 2.693,1014 11.106,1015 5.919,1016 8.927,1017 0.66,1018 11.046,1019 2.605,1020 6.735,1021 8.199,1022 2.473,1023 13.036,1024 6.412,1025 10.353,1026 0.497,1027 12.873,1028 1.622,1029 8.185,1030 10.008,1031 3.51,1032 15.759,1033 7.82,1034 11.806,1035 0.094,1036 14.725,1037 1.19,1038 9.128,1039 11.261,1040 3.63,1041 18.024,1042 8.682,1043 13.281,1044 -0.178,1045 16.596,1046 0.181,1047 10.408,1048 12.898,1049 4.453,1050 20.596,1051 9.91,1052 3.437,1053 -0.513,1054 18.48,1055 -0.388,1056 11.506,1057 14.322,1058 4.762,1059 22.999,1060 10.933,1061 3.072,1062 12.486,1063 20.375,1064 -1.236,1065 12.73,1066 15.9,1067 5.462,1068 25.522,1069 12.1,1070 2.69,1071 10.874,1072 22.28,1073 4.801,1074 13.894,1075 17.398,1076 5.873,1077 27.985,1078 13.192,1079 2.366,1080 8.953,1081 24.191,1082 3.977,1083 15.105,1084 18.959,1085 6.504,1086 30.494,1087 14.34,1088 2.078,1089 7.813,1090 26.109,1091 3.527,1092 16.297,1093 20.492,1094 6.97,1095 32.983,1096 15.464,1097 1.735,1098 6.225,1099 28.032,1100 2.941,1101 17.508,1102 22.05,1103 7.562,1104 35.491,1105 16.609,1106 1.674,1107 5.372,1108 29.959,1109 2.704,1110 18.714,1111 23.598,1112 8.059,1113 37.993,1114 17.747,1115 6651,1116 11738,1117 19.016,1118 30.125,1119 44.892,1120 46.856,1121 47.578,1122 44.624,1123 44.404,1124 58.332,1125 6.457,1126 137.223,1127 41.883,1128 5.782,1129 5.857,1130 7.001,1131 5.458,1132 5.437,1133 7.801,1134 3.02,1135 20.272,1136 5.215,1137 14.317,1138 1.548,1139 1.616,1140 1.641,1141 1.539,1142 1.531,1143 2.011,1144 0.223,1145 4.732,1146 1.444,1147 4.213,1148 4.265,1149 4.21,1150 4.033,1151 7.447,1152 4.065,1153 3.87,1154 3.896,1155 3.958,1156 3.787,1157 7.411,1158 3.792,1159 3.698,1160 3.758,1161 3.641,1162 3.527,1163 5.065,1164 3.527,1165 3.575,1166 3.642,1167 3.424,1168 3.359,1169 4.889,1170 3.38,1171 3.229,1172 3.302,1173 3.292,1174 2.981,1175 4.35,1176 2.996,1177 3.141,1178 3.225,1179 3.123,1180 2.869,1181 4.255,1182 2.9,1183 3.006,1184 3.06,1185 3.04,1186 2.859,1187 4.114,1188 2.845,1189 2.879,1190 2.922,1191 2.825,1192 2.793,1193 3.873,1194 2.767,1195 0.167,1196 0.133,1197 0.246,1198 0.151,1199 0.119,1200 4.836,1201 0.166,1202 3.857,1203 0.059,1204 7.143,1205 0.431,1206 4.372,1207 0.111,1208 3.437,1209 4.801,1210 1.713,1211 12.486,1212 3.215,1213 1.921,1214 1.898,1215 2.015,1216 2.02,1217 1.287,1218 2.02,1219 1.724,1220 1.679,1221 1.955,1222 1.959,1223 1.107,1224 1.927,1225 1.715,1226 1.656,1227 1.794,1228 1.896,1229 0.9,1230 1.9,1231 1.467,1232 1.394,1233 1.645,1234 1.731,1235 0.825,1236 1.707,1237 1.386,1238 1.326,1239 1.587,1240 1.599,1241 0.678,1242 1.604,1243 1.102,1244 1.024,1245 1.361,1246 1.406,1247 0.463,1248 1.403,1249 1.007,1250 0.915,1251 1.295,1252 1.256,1253 0.356,1254 1.285,1255 0.875,1256 0.838,1257 1.115,1258 1.119,1259 0.178,1260 1.085,1261 4.078,1263 5.442,1264 3.045,1265 7.011,1266 5.533,1267 8.683,1268 7.758,1269 10.414,1271 3.713,1272 6.399,1277 2.717,1278 2.338,1282 1.35,1289 29.052,1290 76.488,1291 171.586,1292 210.705,1293 222.705,1294 224.705,1295 224.705,1296 45.472,1297 7.778,1298 77.09,1299 77.09,1300 22,1301 12.955,1302 4.17,1303 3.392,1304 37.658,1305 83,1306 84,1307 0.235,1308 180.737,1309 304.49,1310 432.757,1311 22283,1312 2.3,1313 18.422,1314 0.709,1315 0.586,1316 18.922,1317 15.247,1318 12.524,1319 0.432,1320 0.305,1321 8.372,1322 11.709,1323 8.138,1324 6.768,1325 12.813,1326 8.859,1327 11.485,1328 0.267,1329 0.155,1330 11.856,1331 6.679,1332 10.32,1333 0.164,1334 0.078,1335 10.678,1336 4.93,1337 9.011,1338 0.099,1339 0.038,1340 9.32,1341 3.456,1342 7.47,1343 0.061,1344 0.02,1345 7.711,1346 2.433,1347 0.35,1348 81.988,1349 0.229,1350 24.252,1351 0.706,1352 144,1353 442.588,1354 176.354,1355 455.494,1356 621.04,1357 424,1358 178,1359 450.769,1360 208.684,1361 461.935,1362 693.28,1363 435,1364 6.655}
{0 CHEMBL2333600,1 1.771,2 8.533,3 4.537,4 20.58,5 110.716,6 9.171,7 0.618,8 3.987,9 4.085,10 3.733,11 3.53,12 5.197,13 3.554,14 4.498,15 4.636,16 4.165,17 3.941,18 5.72,19 3.955,20 4.678,21 4.812,22 4.31,23 4.086,24 5.924,25 4.093,26 4.781,27 4.925,28 4.344,29 4.109,30 6.156,31 4.117,32 4.811,33 4.98,34 4.315,35 4.155,36 5.988,37 4.138,38 4.811,39 4.979,40 4.29,41 4.183,42 5.981,43 4.148,44 4.812,45 4.978,46 4.29,47 4.163,48 6.013,49 4.119,50 4.796,51 4.958,52 4.213,53 4.048,54 6.123,55 3.996,56 0.129,57 0.719,58 5.87,59 3.55,60 6.748,61 3.775,62 0.497,63 1.169,64 13.53,65 6.036,66 22.955,67 6.694,68 0.491,69 1.338,70 17.443,71 7.588,72 33.063,73 8.27,74 0.786,75 1.452,76 21.656,77 7.835,78 79.469,79 8.155,80 0.708,81 1.501,82 23.608,83 8.47,84 35.011,85 9.625,86 0.576,87 1.461,88 21.813,89 9.141,90 43.126,91 10.372,92 0.604,93 1.408,94 23.865,95 9.591,96 42.613,97 10.842,98 0.757,99 1.297,100 25.753,101 9.662,102 61.461,103 10.794,104 27,105 51,106 0.297,107 0.663,108 0.775,109 0.862,110 0.891,111 0.891,112 3.442,113 0.838,114 -4.47,115 -4.4,116 -4.14,118 45.7,123 2,138 8,139 1,140 3,143 1,147 1,148 2,153 1,154 1,157 1,167 7,170 5,171 3,173 3,178 8,181 3,182 6,184 1,188 5,191 5,192 9,195 1,199 2,203 4,204 10,206 1,211 3,214 1,215 10,220 1,223 6,227 1,228 9,233 2,235 8,239 1,240 12,243 1,245 5,247 5,251 1,252 6,257 2,260 1,264 1424,265 20.422,266 20.422,267 20.422,268 20.422,269 20.422,270 17.775,271 20.849,272 11.647,273 21.044,274 16.694,275 16.694,276 16.694,277 16.694,278 16.694,279 12.457,280 22.295,281 5.406,282 17.687,283 3.752,284 1.566,285 0.902,286 0.381,287 0.207,288 0.207,289 4.147,290 1,293 1,294 1,295 561,296 2.739,299 92.348,300 215.85,302 75.785,303 94.175,306 125.498,307 1.262,308 33.518,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 65.833,320 256,321 4.87,322 3.859,323 7.221,324 4.406,325 3.473,326 4.837,327 1.713,328 12.804,329 3.243,330 4.443,331 3.487,332 6.843,333 4.086,334 3.134,335 4.047,336 1.001,337 11.322,338 2.979,339 4.19,340 3.364,341 6.315,342 3.768,343 2.818,344 3.812,345 0.86,346 9.441,347 2.669,348 3.97,349 3.107,350 6.126,351 3.559,352 2.623,353 3.42,354 0.514,355 8.688,356 2.443,357 3.637,358 2.949,359 5.765,360 3.259,361 2.293,362 2.908,364 7.461,365 2.199,366 3.435,367 2.593,368 5.261,369 3.011,370 2.058,371 2.703,373 6.185,374 1.941,375 3.101,376 2.112,377 5.106,378 2.659,379 1.711,380 2.298,382 5.365,383 1.613,384 3.067,385 1.99,386 4.86,387 2.585,388 1.639,389 2.255,391 4.978,392 1.54,393 2.917,394 1.655,395 4.354,396 2.458,397 1.487,398 2.085,400 3.69,401 1.436,402 2.86,403 1.569,404 3.971,405 2.35,406 1.414,407 2.014,409 3.142,410 1.253,411 2.721,412 1.368,413 3.671,414 2.201,415 1.249,416 1.804,417 2.995,418 1.181,419 2.513,420 1.221,421 3.586,422 1.998,423 1.013,424 1.512,425 2.652,426 0.996,427 1.914,428 0.963,429 3.523,430 1.496,431 0.559,432 0.694,433 1.385,434 0.511,435 1.872,436 0.937,437 3.346,438 1.456,439 0.5,440 0.63,441 1.129,442 0.473,443 1.601,444 0.829,445 2.889,446 1.226,447 0.309,448 0.401,449 0.609,450 0.283,451 14.214,452 0.474,453 0.837,454 0.028,455 43.5,456 1.45,457 22,458 0.733,459 21.5,460 0.717,461 23.264,462 0.775,463 30.786,464 0.669,465 36.142,466 1.205,467 8.84,468 0.295,469 5.667,470 0.189,471 0.168,473 0.436,478 0.765,479 1.473,480 0.546,481 0.997,482 0.554,483 0.835,484 0.745,485 0.859,486 0.602,487 0.679,488 0.566,489 0.676,490 0.935,491 1.219,492 0.808,493 0.969,494 0.924,495 0.879,496 1.091,497 1.095,498 1.014,499 0.948,500 0.98,501 0.928,502 0.889,503 0.965,504 0.97,505 0.894,506 0.708,507 0.905,508 0.914,509 0.998,510 0.853,511 0.924,512 0.786,513 0.95,514 0.921,515 1.004,516 1.003,517 1.055,518 0.793,519 1.043,520 0.986,521 1.144,522 1.18,523 1.329,524 1.003,525 1.274,526 5,527 0.049,528 4,529 3.076,530 2.47,531 1.658,532 1.033,533 0.815,534 0.504,535 0.254,536 9967,537 32186,538 2.124,539 34.8,541 14,542 1,544 1,549 1.74,550 1.957,551 3.042,552 -0.283,558 81.481,559 1.771,560 3.957,561 4.621,562 5.143,563 5.317,564 5.317,565 2.465,566 4.748,567 4.878,568 3.212,569 1397.21,570 8.578,571 18331.9,573 1,576 254.084,577 1.482,578 4.825,579 0.147,580 0.007,581 0.078,582 0.054,583 0.043,584 0.03,585 0.019,586 0.016,587 0.012,588 0.011,589 0.417,590 0.33,591 0.88,592 0.758,593 148.165,594 -0.084,595 -0.344,596 0.031,597 -0.129,598 -0.071,599 -0.036,600 0.126,601 0.262,602 0.107,603 0.202,604 0.041,605 0.161,606 -0.019,607 -0.156,608 0.026,609 -0.05,610 -0.052,611 -0.01,612 -0.01,613 -0.013,614 -0.106,615 -0.045,616 0.089,617 -0.082,618 0.003,619 0.103,620 -0.054,621 0.031,622 -0.022,623 0.004,624 -0.079,625 0.014,626 0.007,627 0.034,628 -0.045,629 0.003,630 -0.031,631 -0.029,632 -0.01,633 -0.063,634 -0.015,635 -0.066,636 0.089,637 -0.223,638 -0.079,639 -0.313,640 0.08,641 -0.283,642 2.191,643 5.621,644 0.8,645 24.4,646 1.024,647 1.121,648 3.239,649 10.494,650 0.713,651 3.555,652 3.951,653 4.344,654 4.718,655 5.03,656 5.278,657 5.541,658 5.759,659 5.922,660 5.999,661 5.472,662 0.701,663 421.87,664 3.555,665 5.142,666 6.052,667 6.986,668 7.92,669 8.867,670 9.813,671 10.766,672 11.719,673 12.677,674 10.9,681 2,682 2,684 1,689 1,690 9,691 1,695 7,696 1,697 21,714 1,715 1,716 46,718 23,719 2,720 34,722 50,723 21,724 17,725 4,726 8,727 1,728 5,729 8,730 1,731 1,740 19,741 2,744 2,749 2,753 2,757 1,760 16,761 6,762 1,763 9,764 1,766 2,769 5,772 1,775 0.6,776 3,793 2,794 3,796 1,797 1,800 1,819 3,823 2,824 1,827 30,834 1,835 1,838 1,849 1,850 6.5,853 2,855 1,858 15.333,859 9.193,860 6.5,861 2.565,863 3.841,864 1.463,865 1.04,866 4.487,867 12.138,868 3.861,869 4.543,870 5.247,871 5.962,872 6.569,873 7.11,874 7.696,875 8.181,876 8.653,877 9.013,878 0.833,879 57,880 11.079,881 4.912,882 7.893,883 20.639,884 17.206,885 2.393,886 71.778,889 1,890 176.567,891 136.932,892 41.106,893 39.149,894 61.29,897 136.932,898 277.005,899 41.106,900 19.279,901 21.135,902 84.857,903 71.78,904 30.158,905 23.888,906 164.795,907 39.149,908 176.567,909 178.038,910 61.29,911 39.149,913 176.567,914 61.29,917 25.607,918 135.645,919 55.934,921 176.567,922 102.396,923 176.08,926 176.567,927 32.795,928 110.447,929 18.011,930 117.224,931 176.567,932 102.396,933 176.08,935 0.593,936 0.373,937 0.215,938 0.122,939 28,940 13,941 0.06,942 3,943 2,944 1.167,945 3.858,946 305.756,947 0.167,948 24,949 147.207,954 19.029,955 7.074,956 2.825,957 0.455,958 99.21,959 16.707,960 4.634,964 3.954,965 1.865,966 18.011,967 455.043,968 46.5,973 24.676,977 -1.035,980 47.116,981 51.555,983 0.321,984 0.716,985 0.837,986 0.931,987 0.963,988 0.963,989 5.131,990 1.639,991 6.075,992 5.365,993 4.635,994 5.231,995 2.286,996 7.002,997 4.52,998 6.382,999 1.487,1000 7.706,1001 4.978,1002 4.369,1003 5.19,1004 1.305,1005 8.113,1006 4.175,1007 7.73,1008 1.414,1009 9.439,1010 3.69,1011 6.333,1012 7.542,1013 2.764,1014 11.308,1015 6.103,1016 9.12,1017 1.249,1018 11.231,1019 3.142,1020 6.909,1021 8.361,1022 2.473,1023 13.257,1024 6.593,1025 10.545,1026 1.013,1027 13.061,1028 2.995,1029 8.366,1030 10.2,1031 3.533,1032 15.989,1033 8.011,1034 11.996,1035 0.559,1036 14.916,1037 2.652,1038 9.306,1039 11.417,1040 3.63,1041 18.274,1042 8.867,1043 13.468,1044 0.5,1045 16.791,1046 1.385,1047 10.589,1048 13.067,1049 4.46,1050 20.859,1051 10.102,1052 3.473,1053 0.309,1054 18.68,1055 1.129,1056 11.686,1057 14.469,1058 4.762,1059 23.284,1060 11.121,1061 3.134,1062 12.804,1063 20.581,1064 0.609,1065 12.914,1066 16.052,1067 5.464,1068 25.824,1069 12.291,1070 2.818,1071 11.322,1072 22.49,1073 4.837,1074 14.079,1075 17.54,1076 5.873,1077 28.309,1078 13.382,1079 2.623,1080 9.441,1081 24.408,1082 4.047,1083 15.293,1084 19.103,1085 6.504,1086 30.838,1087 14.534,1088 2.293,1089 8.688,1090 26.332,1091 3.812,1092 16.489,1093 20.631,1094 6.97,1095 33.349,1096 15.658,1097 2.058,1098 7.461,1099 28.261,1100 3.42,1101 17.705,1102 22.191,1103 7.562,1104 35.879,1105 16.807,1106 1.711,1107 6.185,1108 30.196,1109 2.908,1110 18.916,1111 23.74,1112 8.059,1113 38.403,1114 17.948,1115 9463,1116 17159,1117 22.6,1118 32.818,1119 53.192,1120 55.193,1121 55.9,1122 52.713,1123 52.558,1124 70.843,1125 8.177,1126 163.691,1127 49.52,1128 5.816,1129 5.859,1130 6.913,1131 5.493,1132 5.473,1133 7.837,1134 3.02,1135 20.609,1136 5.243,1137 15.608,1138 1.564,1139 1.623,1140 1.644,1141 1.55,1142 1.546,1143 2.084,1144 0.24,1145 4.814,1146 1.456,1147 4.224,1148 4.273,1149 4.224,1150 4.055,1151 7.447,1152 4.086,1153 3.878,1154 3.907,1155 3.959,1156 3.802,1157 7.411,1158 3.797,1159 3.855,1160 3.877,1161 3.819,1162 3.757,1163 5.089,1164 3.772,1165 3.608,1166 3.659,1167 3.574,1168 3.369,1169 4.895,1170 3.409,1171 3.249,1172 3.315,1173 3.292,1174 2.974,1175 4.814,1176 2.988,1177 3.217,1178 3.286,1179 3.12,1180 2.957,1181 4.388,1182 2.972,1183 3.075,1184 3.115,1185 3.063,1186 2.859,1187 4.345,1188 2.896,1189 2.881,1190 2.924,1191 3.028,1192 2.795,1193 4.212,1194 2.77,1195 0.143,1196 0.113,1197 0.212,1198 0.13,1199 0.102,1200 4.87,1201 0.142,1202 3.859,1203 0.05,1204 7.221,1205 0.377,1206 4.406,1207 0.095,1208 3.473,1209 4.837,1210 1.713,1211 12.804,1212 3.243,1213 1.946,1214 1.923,1215 2.023,1216 2.05,1217 1.153,1218 2.042,1219 1.861,1220 1.838,1221 1.962,1222 1.977,1223 1.055,1224 1.96,1225 1.716,1226 1.679,1227 1.794,1228 1.924,1229 0.898,1230 1.903,1231 1.455,1232 1.389,1233 1.588,1234 1.726,1235 0.681,1236 1.682,1237 1.349,1238 1.301,1239 1.573,1240 1.541,1241 0.586,1242 1.538,1243 1.197,1244 1.124,1245 1.449,1246 1.507,1247 0.573,1248 1.518,1249 1.098,1250 1.018,1251 1.356,1252 1.406,1253 0.362,1254 1.403,1255 0.876,1256 0.84,1257 1.123,1258 1.129,1259 0.179,1260 1.087,1261 4.234,1263 5.609,1264 3.045,1265 7.192,1266 5.533,1267 8.874,1268 7.766,1269 10.611,1271 3.153,1272 6.494,1278 2.333,1279 5.566,1282 1.311,1289 32.24,1290 81.481,1291 182.045,1292 212.574,1293 236.574,1294 244.574,1295 244.574,1296 50.315,1297 8.297,1298 86.32,1299 86.32,1300 28,1301 13.162,1302 4.585,1303 3.755,1304 41.025,1305 95,1306 97,1307 0.211,1308 197.334,1309 334,1310 473.256,1311 42290,1312 2.2,1313 20.991,1314 0.7,1315 0.561,1316 21.491,1317 16.844,1318 14.507,1319 0.427,1320 0.279,1321 8.974,1322 13.547,1323 8.73,1324 7.22,1325 14.796,1326 9.499,1327 13.373,1328 0.262,1329 0.141,1330 13.744,1331 7.181,1332 12.304,1333 0.162,1334 0.071,1335 12.663,1336 5.43,1337 10.928,1338 0.098,1339 0.035,1340 11.237,1341 3.902,1342 9.166,1343 0.06,1344 0.018,1345 9.4,1346 2.703,1347 0.313,1348 94.965,1349 0.21,1350 27.119,1351 0.646,1352 170,1353 546.323,1354 205.565,1355 552.397,1356 756.94,1357 516,1358 212,1359 553.019,1360 246.229,1361 566.353,1362 847.56,1363 532,1364 5.658}
{0 CHEMBL2333602,1 1.574,2 10.971,3 5.289,4 27.974,5 133.737,6 7.793,7 0.625,8 4.223,9 4.348,10 3.843,11 3.759,12 5.339,13 3.757,14 4.765,15 4.942,16 4.259,17 4.193,18 5.853,19 4.174,20 4.973,21 5.157,22 4.352,23 4.345,24 6.052,25 4.309,26 5.096,27 5.295,28 4.375,29 4.387,30 6.284,31 4.34,32 5.109,33 5.331,34 4.299,35 4.393,36 6.095,37 4.324,38 5.096,39 5.305,40 4.265,41 4.41,42 6.083,43 4.332,44 5.143,45 5.362,46 4.244,47 4.418,48 6.113,49 4.329,50 5.176,51 5.404,52 4.234,53 4.393,54 6.171,55 4.298,56 0.068,57 0.978,58 11.332,59 4.9,60 8.393,61 6.383,62 0.422,63 1.595,64 22.457,65 8.527,66 25.9,67 11.605,68 0.31,69 1.862,70 28.407,71 11.076,72 30.16,73 14.938,74 0.64,75 2.05,76 33.587,77 11.711,78 86.006,79 16.035,80 0.487,81 2.062,82 34.889,83 12.27,84 39.282,85 17.252,86 0.414,87 2.037,88 33.525,89 12.412,90 42.226,91 17.042,92 0.375,93 2.08,94 35.998,95 13.411,96 46.69,97 18.508,98 0.418,99 2.092,100 38.27,101 14.194,102 55.454,103 19.618,104 29,105 60,106 0.249,107 0.643,108 0.825,109 0.877,110 0.882,111 0.882,112 3.589,113 0.879,114 -5.04,115 -4.94,116 -4.63,118 43.3,119 2,120 2,123 1,124 1,138 6,139 5,141 1,143 1,147 1,148 3,153 1,154 1,157 1,163 1,167 14,170 5,171 3,173 3,175 2,178 17,181 2,182 6,184 1,186 2,188 14,191 5,192 12,195 1,197 2,199 10,203 2,204 11,206 1,208 2,211 10,214 1,215 14,220 3,223 11,228 12,233 4,235 9,239 1,240 15,243 1,245 5,247 8,251 1,252 10,255 1,257 3,260 5,264 2183,265 23.938,266 23.938,267 23.938,268 23.938,269 23.938,270 20.913,271 17.548,272 13.761,273 24.351,274 19.697,275 19.697,276 19.697,277 19.697,278 19.697,279 14.826,280 17.469,281 6.449,282 20.378,283 4.333,284 1.848,285 0.696,286 0.371,287 0.338,288 0.338,289 4.305,294 1,295 860,296 3.24,299 185.199,300 261.757,302 95.193,303 245.848,306 157.116,307 1.633,308 30.683,311 1,312 0.5,313 1,314 0.8,315 0.5,316 1,317 1,318 0.83,319 75.5,320 384,321 4.838,322 3.857,323 7.144,324 4.376,325 3.439,326 4.803,327 1.713,328 12.49,329 3.234,330 4.587,331 3.437,332 6.753,333 4.157,334 3.168,335 4.515,336 1.001,337 11.027,338 3.129,339 4.384,340 3.291,341 6.67,342 4.012,343 3.043,344 4.021,345 0.514,346 10.731,347 2.953,348 4.09,349 3.135,350 6.213,351 3.678,352 2.718,353 3.601,355 9.034,356 2.596,357 3.764,358 2.906,359 5.905,360 3.385,361 2.415,362 3.172,364 7.931,365 2.339,366 3.653,367 2.617,368 5.719,369 3.287,370 2.309,371 2.927,373 7.541,374 2.248,375 3.431,376 2.368,377 5.27,378 3.037,379 2.068,380 2.688,382 6.214,383 1.989,384 3.096,385 2.08,386 5.107,387 2.705,388 1.729,389 2.324,391 5.375,392 1.685,393 3.06,394 1.836,395 4.835,396 2.638,397 1.673,398 2.296,400 4.953,401 1.604,402 3.048,403 1.55,404 4.601,405 2.537,406 1.549,407 2.218,409 4.44,410 1.53,411 2.956,412 1.518,413 4.156,414 2.475,415 1.486,416 2.158,417 3.548,418 1.468,419 2.632,420 1.491,421 4.015,422 2.346,423 1.383,424 1.669,425 3.353,426 1.324,427 2.5,428 1.222,429 3.776,430 2.074,431 1.102,432 1.5,433 2.689,434 1.069,435 2.468,436 1.089,437 3.406,438 1.97,439 1,440 1.458,441 2.231,442 0.968,443 1.99,444 1,445 3.381,446 1.62,447 0.663,448 0.82,449 1.637,450 0.631,451 16.467,452 0.47,453 0.956,454 0.027,455 47.75,456 1.364,457 23.5,458 0.671,459 24.25,460 0.693,461 32.048,462 0.916,463 36.333,464 0.606,465 39.734,466 1.135,467 9.195,468 0.263,469 7.779,470 0.222,471 0.132,473 0.437,478 0.735,479 1.368,480 0.723,481 1.052,482 0.542,483 0.907,484 0.571,485 0.908,486 0.702,487 0.805,488 0.486,489 0.773,490 0.815,491 1.133,492 0.809,493 1.016,494 0.815,495 0.931,496 0.927,497 1.053,498 0.979,499 0.992,500 0.856,501 0.989,502 0.828,503 0.986,504 0.969,505 0.958,506 0.624,507 0.97,508 0.923,509 1.046,510 1.082,511 1.06,512 0.759,513 1.084,514 0.916,515 1.073,516 1.071,517 1.112,518 0.819,519 1.112,520 0.91,521 1.116,522 1.032,523 1.163,524 0.952,525 1.132,526 6,527 0.218,528 4.889,529 3.299,530 2.562,531 1.724,532 1.11,533 0.87,534 0.584,535 0.388,536 17162,537 44634,538 2.155,539 41.7,540 8,541 11,542 1,543 1,544 2,546 2,549 1.774,550 2,551 3.425,552 0.191,558 94.454,559 1.574,560 4.059,561 5.211,562 5.536,563 5.569,564 5.569,565 2.883,566 5.015,567 5.102,568 3.601,569 2142.85,570 8.994,571 31695.6,576 354.413,577 1.449,578 5.055,579 0.15,580 0.006,581 0.081,582 0.051,583 0.04,584 0.029,585 0.019,586 0.016,587 0.011,588 0.009,589 0.412,590 0.17,591 0.75,592 0.987,593 184.999,594 -0.006,595 -0.186,596 0.069,597 -0.059,598 -0.034,599 0.001,600 0.265,601 0.215,602 0.178,603 0.166,604 0.105,605 0.155,606 0.053,607 -0.086,608 0.095,609 -0.013,610 0.014,611 0.035,612 0.111,613 -0.005,614 -0.035,615 -0.026,616 0.156,617 -0.047,618 -0.005,619 0.04,620 -0.02,621 0.021,622 0.01,623 0.006,624 -0.109,625 -0.019,626 -0.156,627 -0.065,628 -0.057,629 -0.106,630 -0.109,631 -0.082,632 -0.126,633 -0.106,634 -0.064,635 -0.114,636 -0.024,637 -0.164,638 -0.058,639 -0.152,640 -0.034,641 -0.121,642 2.138,643 5.755,644 0.771,645 33.982,646 1.005,647 1.127,648 3.811,649 14.525,650 0.68,651 3.714,652 4.111,653 4.5,654 4.868,655 5.153,656 5.389,657 5.624,658 5.823,659 5.971,660 6.105,661 6.734,662 0.655,663 467.58,664 3.714,665 5.303,666 6.213,667 7.143,668 8.073,669 9.012,670 9.951,671 10.894,672 11.837,673 12.784,674 11.7,681 2,682 3,684 2,689 3,690 8,691 2,692 1,695 7,696 1,697 25,716 60,718 27,719 2,720 40,722 65,723 26,724 18,725 6,726 6,727 1,728 6,729 10,731 1,732 2,738 2,740 20,741 6,744 2,749 2,753 2,760 25,761 6,762 2,763 9,766 2,769 7,772 1,775 0.5,776 2,785 1,793 3,794 3,796 1,797 2,800 1,819 3,823 3,827 35,833 3,834 1,838 1,850 3.3,853 2,858 17.5,859 12,860 7.528,861 3.842,863 5.184,864 1.57,865 1.054,866 5.185,867 14.274,868 4.016,869 4.716,870 5.438,871 6.154,872 6.727,873 7.256,874 7.803,875 8.266,876 8.692,877 9.139,878 1,879 65,880 12.965,881 5.725,882 7.714,883 24.82,884 21.127,885 2.214,886 77.5,890 270.735,891 143.742,892 74.432,894 50.29,897 143.742,898 321.025,899 74.432,900 26.047,901 28.31,902 65.905,903 100.214,904 45.498,905 26.032,906 247.193,908 270.735,909 218.174,910 50.29,913 247.193,914 73.832,917 76.143,918 108.583,919 33.449,921 270.735,922 124.722,923 143.742,926 270.735,927 42.743,928 107.309,929 34.674,930 83.738,931 270.735,932 124.722,933 143.742,935 0.593,936 0.368,937 0.212,938 0.12,939 33,940 15,941 0.077,942 5,943 3,944 1.222,945 4.359,946 373.909,947 0.222,948 27,949 179.525,954 21.928,955 8.276,956 3.37,957 2.708,958 104.873,959 16.395,960 8.944,961 3.042,964 6.11,965 2.151,966 34.674,967 539.199,968 54.5,973 24.888,977 -0.91,980 60.32,981 67.644,983 0.267,984 0.687,985 0.882,986 0.937,987 0.943,988 0.943,989 5.29,990 1.729,991 6.232,992 6.214,993 4.796,994 5.405,995 2.123,996 7.149,997 4.727,998 6.542,999 1.673,1000 7.856,1001 5.375,1002 4.511,1003 5.394,1004 1.305,1005 8.228,1006 4.405,1007 7.893,1008 1.549,1009 9.581,1010 4.953,1011 6.488,1012 7.748,1013 2.693,1014 11.41,1015 6.343,1016 9.285,1017 1.486,1018 11.364,1019 4.44,1020 7.048,1021 8.604,1022 2.473,1023 13.32,1024 6.859,1025 10.713,1026 1.383,1027 13.184,1028 3.548,1029 8.505,1030 10.435,1031 3.51,1032 16.027,1033 8.278,1034 12.166,1035 1.102,1036 15.029,1037 3.353,1038 9.43,1039 11.674,1040 3.63,1041 18.27,1042 9.155,1043 13.638,1044 1,1045 16.893,1046 2.689,1047 10.707,1048 13.316,1049 4.453,1050 20.824,1051 10.391,1052 3.439,1053 0.663,1054 18.769,1055 2.231,1056 11.788,1057 14.724,1058 4.762,1059 23.207,1060 11.422,1061 3.168,1062 12.49,1063 20.657,1064 1.637,1065 13.005,1066 16.298,1067 5.462,1068 25.713,1069 12.594,1070 3.043,1071 11.027,1072 22.553,1073 4.803,1074 14.153,1075 17.781,1076 5.873,1077 28.157,1078 13.691,1079 2.718,1080 10.731,1081 24.457,1082 4.515,1083 15.354,1084 19.332,1085 6.504,1086 30.651,1087 14.843,1088 2.415,1089 9.034,1090 26.366,1091 4.021,1092 16.532,1093 20.849,1094 6.97,1095 33.124,1096 15.968,1097 2.309,1098 7.931,1099 28.28,1100 3.601,1101 17.732,1102 22.394,1103 7.562,1104 35.619,1105 17.116,1106 2.068,1107 7.541,1108 30.199,1109 3.172,1110 18.926,1111 23.928,1112 8.059,1113 38.108,1114 18.255,1115 15825,1116 25752,1117 26.876,1118 40.801,1119 62.393,1120 63.972,1121 64.934,1122 61.684,1123 61.712,1124 83.328,1125 6.457,1126 191.77,1127 59.703,1128 5.784,1129 5.857,1130 7.002,1131 5.463,1132 5.439,1133 7.803,1134 3.02,1135 20.281,1136 5.234,1137 17.617,1138 1.56,1139 1.599,1140 1.623,1141 1.542,1142 1.543,1143 2.083,1144 0.161,1145 4.794,1146 1.493,1147 4.227,1148 4.276,1149 4.208,1150 4.089,1151 7.447,1152 4.106,1153 4.104,1154 4.144,1155 4.073,1156 3.969,1157 7.411,1158 3.997,1159 3.859,1160 3.893,1161 3.813,1162 3.763,1163 5.104,1164 3.772,1165 3.699,1166 3.76,1167 3.622,1168 3.528,1169 5.036,1170 3.527,1171 3.575,1172 3.642,1173 3.423,1174 3.359,1175 4.689,1176 3.381,1177 3.354,1178 3.424,1179 3.263,1180 3.173,1181 4.371,1182 3.186,1183 3.228,1184 3.302,1185 3.122,1186 3.057,1187 4.25,1188 3.043,1189 3.17,1190 3.242,1191 3.05,1192 2.979,1193 4.113,1194 2.992,1195 0.121,1196 0.096,1197 0.179,1198 0.109,1199 0.086,1200 4.838,1201 0.12,1202 3.857,1203 0.043,1204 7.144,1205 0.312,1206 4.376,1207 0.081,1208 3.439,1209 4.803,1210 1.713,1211 12.49,1212 3.234,1213 2.031,1214 2.013,1215 2.107,1216 2.091,1217 1.303,1218 2.097,1219 1.846,1220 1.818,1221 1.986,1222 1.977,1223 1.252,1224 1.971,1225 1.724,1226 1.678,1227 1.928,1228 1.955,1229 1.08,1230 1.922,1231 1.711,1232 1.654,1233 1.795,1234 1.88,1235 0.902,1236 1.887,1237 1.467,1238 1.394,1239 1.646,1240 1.731,1241 0.83,1242 1.707,1243 1.389,1244 1.329,1245 1.589,1246 1.64,1247 0.681,1248 1.612,1249 1.316,1250 1.24,1251 1.532,1252 1.59,1253 0.605,1254 1.583,1255 1.161,1256 1.086,1257 1.423,1258 1.406,1259 0.467,1260 1.42,1261 4.394,1263 5.771,1264 3.434,1265 7.347,1266 5.861,1267 9.021,1268 8.032,1269 10.75,1271 5.856,1277 2.728,1278 2.401,1282 1.38,1289 39.321,1290 94.454,1291 243.545,1292 312.639,1293 332.149,1294 334.149,1295 334.149,1296 55.374,1297 9.091,1298 105.77,1299 105.77,1300 33,1301 13.276,1302 4.807,1303 3.954,1304 46.773,1305 139,1306 133,1307 0.162,1308 236.235,1309 392.6,1310 568.173,1311 124079,1313 24.267,1314 0.693,1315 0.566,1316 24.267,1317 19.793,1318 16.974,1319 0.424,1320 0.293,1321 11.547,1322 16.312,1323 11.227,1324 9.349,1325 16.974,1326 11.717,1327 15.724,1328 0.262,1329 0.149,1330 15.724,1331 8.958,1332 14.426,1333 0.162,1334 0.076,1335 14.426,1336 6.76,1337 12.809,1338 0.099,1339 0.038,1340 12.809,1341 4.84,1342 10.651,1343 0.062,1344 0.02,1345 10.651,1346 3.442,1347 0.249,1348 106.464,1349 0.193,1350 31.405,1351 0.466,1352 200,1353 554.362,1354 219.943,1355 541.56,1356 765.72,1357 508,1358 249,1359 598.006,1360 271.554,1361 604.721,1362 903.8,1363 570,1364 6.85}
{0 CHEMBL2333603,1 1.585,2 8.462,3 4.127,4 17.03,5 98.585,6 7.478,7 0.517,8 3.964,9 4.093,10 3.544,11 3.462,12 5.057,13 3.458,14 4.519,15 4.712,16 3.956,17 3.878,18 5.597,19 3.854,20 4.721,21 4.919,22 4.057,23 4.018,24 5.805,25 3.985,26 4.824,27 5.034,28 4.061,29 4.033,30 6.053,31 3.993,32 4.812,33 5.045,34 3.953,35 4.028,36 5.8,37 3.961,38 4.781,39 5.002,40 3.856,41 4.03,42 5.77,43 3.942,44 4.803,45 5.04,46 3.743,47 3.996,48 5.775,49 3.883,50 4.764,51 5.012,52 3.616,53 3.872,54 5.776,55 3.747,56 0.03,57 0.75,58 9.555,59 3.821,60 5.728,61 5.301,62 0.394,63 1.207,64 19.037,65 6.653,66 23.189,67 9.498,68 0.279,69 1.399,70 23.731,71 8.289,72 27.271,73 11.792,74 0.599,75 1.494,76 27.348,77 8.266,78 80.05,79 12.069,80 0.434,81 1.475,82 27.259,83 8.449,84 31.354,85 12.615,86 0.357,87 1.416,88 25.965,89 8.811,90 35.442,91 12.684,92 0.32,93 1.375,94 27.244,95 9.417,96 41.388,97 13.507,98 0.303,99 1.237,100 27.082,101 9.359,102 48.755,103 13.377,104 29,105 43,106 0.269,107 0.638,108 0.819,109 0.862,110 0.869,111 0.869,112 3.306,113 0.91,114 -4.5,115 -4.43,116 -4.17,118 40.4,119 2,120 2,123 1,124 1,138 4,139 2,143 1,147 1,148 2,153 1,154 1,157 1,167 9,170 5,171 2,173 3,178 9,181 2,182 4,184 1,188 5,191 5,192 9,195 1,199 2,203 2,204 8,206 1,211 3,214 1,215 9,220 1,223 6,228 7,233 3,235 6,240 10,245 4,247 4,252 6,257 2,260 1,264 896,265 17.56,266 17.56,267 17.56,268 17.56,269 17.56,270 15.601,271 17.548,272 10.203,273 17.909,274 14.254,275 14.254,276 14.254,277 14.254,278 14.254,279 11.046,280 17.469,281 4.773,282 14.837,283 3.969,284 1.792,285 0.729,286 0.474,287 0.431,288 0.431,289 3.998,293 1,294 1,295 474,296 2.915,299 82.087,300 127.618,302 67.478,303 82.115,306 110.745,307 1.349,308 24.961,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 56.5,320 220,321 4.836,322 3.857,323 7.143,324 4.373,325 3.437,326 4.801,327 1.713,328 12.486,329 3.223,330 4.385,331 3.435,332 6.721,333 4.039,334 3.072,335 3.977,336 1.001,337 10.874,338 2.977,339 4.044,340 3.278,341 6.2,342 3.649,343 2.69,344 3.527,345 0.514,346 8.953,347 2.563,348 3.682,349 2.91,350 5.888,351 3.332,352 2.366,353 2.941,355 7.813,356 2.277,357 3.444,358 2.598,359 5.273,360 3.046,361 2.078,362 2.704,364 6.225,365 1.997,366 3.101,367 2.081,368 5.107,369 2.71,370 1.735,371 2.296,373 5.372,374 1.69,375 3.06,376 1.836,377 4.833,378 2.638,379 1.674,380 2.218,382 4.945,383 1.605,384 2.86,385 1.493,386 4.137,387 2.414,388 1.414,389 2.014,391 3.345,392 1.414,393 2.632,394 1.491,395 3.77,396 2.346,397 1.383,398 1.669,400 3.002,401 1.324,402 2.468,403 1.22,404 3.578,405 2.074,406 1.102,407 1.458,409 2.605,410 1.069,411 1.976,412 1.088,413 3.381,414 1.616,415 0.66,416 0.814,417 1.622,418 0.628,419 1.889,420 0.86,421 3.344,422 1.492,423 0.497,424 0.635,425 1.19,426 0.487,427 1.298,428 0.724,429 2.842,430 1.062,431 0.094,432 0.11,433 0.181,434 0.091,435 1.09,436 0.167,437 2.569,438 0.813,439 -0.178,440 -0.215,441 -0.388,442 -0.176,443 1,444 0.029,445 2.411,446 0.531,447 -0.513,448 -0.642,449 -1.236,450 -0.515,451 12.167,452 0.468,453 0.734,454 0.028,455 33.75,456 1.298,457 15.5,458 0.596,459 18.25,460 0.702,461 22.335,462 0.859,463 28.033,464 0.596,465 25.644,466 0.986,467 6.472,468 0.249,469 6.052,470 0.233,471 0.178,473 0.427,478 0.739,479 1.605,480 0.756,481 1.19,482 0.534,483 1.002,484 0.506,485 0.901,486 0.698,487 0.823,488 0.457,489 0.792,490 0.829,491 1.208,492 0.777,493 1.028,494 0.829,495 0.916,496 0.979,497 1.08,498 0.985,499 0.971,500 0.878,501 0.968,502 0.883,503 1.008,504 0.987,505 0.94,506 0.638,507 0.957,508 0.963,509 1.043,510 1.127,511 1.071,512 0.786,513 1.108,514 0.968,515 1.021,516 1.142,517 1.133,518 0.893,519 1.156,520 1.003,521 1.092,522 1.069,523 1.186,524 1.098,525 1.156,526 4.5,527 0.037,528 3.556,529 2.799,530 2.128,531 1.341,532 0.751,533 0.592,534 0.331,535 0.193,536 6818,537 17524,538 2.078,539 44.7,540 8,541 9,542 1,544 1,546 2,549 1.7,550 1.902,551 3.053,552 -0.294,554 1,558 74.507,559 1.585,560 3.763,561 4.826,562 5.081,563 5.123,564 5.123,565 2.507,566 4.393,567 4.669,568 3.211,569 1043.7,570 8.141,571 12431.7,573 1,575 1,576 261.066,577 1.513,578 4.611,579 0.155,580 0.006,581 0.083,582 0.06,583 0.047,584 0.033,585 0.02,586 0.019,587 0.012,588 0.011,589 0.446,590 0.17,591 1,592 1.181,593 123.34,594 -0.037,595 -0.373,596 0.07,597 -0.136,598 -0.039,599 -0.037,600 0.337,601 0.247,602 0.215,603 0.159,604 0.123,605 0.157,606 0.081,607 -0.14,608 0.153,609 -0.025,610 0.018,611 0.056,612 0.145,613 -0.008,614 -0.014,615 -0.03,616 0.178,617 -0.044,618 -0.008,619 0.049,620 -0.031,621 0.012,622 0.008,623 -0.004,624 -0.12,625 0.001,626 -0.192,627 -0.079,628 -0.052,629 -0.132,630 -0.134,631 -0.036,632 -0.191,633 -0.131,634 -0.077,635 -0.159,636 -0.068,637 -0.187,638 -0.085,639 -0.178,640 -0.04,641 -0.142,642 2.123,643 5.426,644 0.692,645 21.231,646 1.005,647 1.133,648 3.273,649 10.71,650 0.66,651 3.401,652 3.784,653 4.159,654 4.522,655 4.812,656 5.05,657 5.268,658 5.434,659 5.541,660 5.549,661 5.29,662 0.633,663 351.45,664 3.401,665 4.977,666 5.878,667 6.806,668 7.735,669 8.677,670 9.618,671 10.567,672 11.514,673 12.466,674 10.6,681 2,682 2,684 1,689 1,690 5,691 1,695 5,696 1,697 15,716 47,718 17,719 1,720 29,722 50,723 19,724 11,725 2,726 4,727 1,728 4,729 7,731 1,732 2,738 2,740 13,741 6,744 2,749 2,753 2,757 1,760 21,761 5,762 1,763 7,766 2,769 5,772 1,775 0.5,776 2,793 2,794 2,796 1,797 1,800 1,819 2,823 3,827 26,833 3,834 1,838 1,850 4.3,853 2,858 13.667,859 9.55,860 5.694,861 3.058,863 3.04,864 1.391,865 1.01,866 4.174,867 10.818,868 3.676,869 4.337,870 5.026,871 5.731,872 6.294,873 6.826,874 7.35,875 7.739,876 8.137,877 8.407,878 0.833,879 47,880 9.647,881 4.193,882 7.782,883 18.39,884 15.325,885 2.282,886 59.333,889 1,890 235.422,891 104.653,892 41.106,894 50.29,897 104.653,898 285.712,899 41.106,900 26.047,901 28.31,902 46.952,903 71.78,904 10.843,905 23.888,906 223.651,908 235.422,909 145.76,910 50.29,913 211.88,914 73.832,917 50.432,918 78.542,919 16.786,921 235.422,922 91.396,923 104.653,926 235.422,927 31.654,928 79.309,929 18.011,930 67.075,931 235.422,932 91.396,933 104.653,935 0.588,936 0.362,937 0.207,938 0.121,939 23,940 11,941 0.08,942 4,943 2,944 1.222,945 3.589,946 239.55,947 0.222,948 18,949 120.211,954 17.009,955 6.381,956 2.609,957 0.679,958 88.21,959 10.122,960 4.634,964 4.094,965 2.135,966 18.011,967 431.472,968 38.5,973 24.32,977 -0.873,980 47.232,981 53.232,983 0.285,984 0.677,985 0.869,986 0.915,987 0.922,988 0.922,989 4.947,990 1.414,991 5.9,992 4.945,993 4.466,994 5.024,995 2.123,996 6.819,997 4.382,998 6.19,999 1.383,1000 7.527,1001 3.345,1002 4.205,1003 5.027,1004 1.305,1005 7.915,1006 4.068,1007 7.537,1008 1.102,1009 9.257,1010 3.002,1011 6.155,1012 7.331,1013 2.693,1014 11.106,1015 5.968,1016 8.927,1017 0.66,1018 11.046,1019 2.605,1020 6.735,1021 8.199,1022 2.473,1023 13.036,1024 6.486,1025 10.353,1026 0.497,1027 12.873,1028 1.622,1029 8.185,1030 10.008,1031 3.51,1032 15.759,1033 7.885,1034 11.806,1035 0.094,1036 14.725,1037 1.19,1038 9.128,1039 11.261,1040 3.63,1041 18.024,1042 8.764,1043 13.281,1044 -0.178,1045 16.596,1046 0.181,1047 10.408,1048 12.898,1049 4.453,1050 20.596,1051 9.989,1052 3.437,1053 -0.513,1054 18.48,1055 -0.388,1056 11.506,1057 14.322,1058 4.762,1059 22.999,1060 11.022,1061 3.072,1062 12.486,1063 20.375,1064 -1.236,1065 12.73,1066 15.9,1067 5.462,1068 25.522,1069 12.188,1070 2.69,1071 10.874,1072 22.28,1073 4.801,1074 13.894,1075 17.398,1076 5.873,1077 27.985,1078 13.285,1079 2.366,1080 8.953,1081 24.191,1082 3.977,1083 15.105,1084 18.959,1085 6.504,1086 30.494,1087 14.435,1088 2.078,1089 7.813,1090 26.109,1091 3.527,1092 16.297,1093 20.492,1094 6.97,1095 32.983,1096 15.561,1097 1.735,1098 6.225,1099 28.032,1100 2.941,1101 17.508,1102 22.05,1103 7.562,1104 35.491,1105 16.708,1106 1.674,1107 5.372,1108 29.959,1109 2.704,1110 18.714,1111 23.598,1112 8.059,1113 37.993,1114 17.847,1115 6651,1116 10874,1117 19.016,1118 31.029,1119 44.892,1120 46.677,1121 47.578,1122 44.392,1123 44.404,1124 58.332,1125 6.457,1126 137.223,1127 42.689,1128 5.782,1129 5.857,1130 7.001,1131 5.46,1132 5.437,1133 7.801,1134 3.02,1135 20.272,1136 5.223,1137 14.317,1138 1.548,1139 1.61,1140 1.641,1141 1.531,1142 1.531,1143 2.011,1144 0.223,1145 4.732,1146 1.472,1147 4.215,1148 4.267,1149 4.198,1150 4.037,1151 7.447,1152 4.069,1153 3.889,1154 3.92,1155 3.834,1156 3.798,1157 7.411,1158 3.807,1159 3.701,1160 3.762,1161 3.622,1162 3.528,1163 5.047,1164 3.528,1165 3.576,1166 3.643,1167 3.424,1168 3.36,1169 4.716,1170 3.381,1171 3.229,1172 3.302,1173 3.123,1174 3.026,1175 4.259,1176 3.007,1177 3.171,1178 3.257,1179 3.041,1180 2.979,1181 4.114,1182 2.987,1183 3.14,1184 3.225,1185 2.96,1186 2.867,1187 3.903,1188 2.895,1189 2.998,1190 3.054,1191 2.823,1192 2.844,1193 3.864,1194 2.836,1195 0.167,1196 0.133,1197 0.246,1198 0.151,1199 0.119,1200 4.836,1201 0.166,1202 3.857,1203 0.059,1204 7.143,1205 0.431,1206 4.373,1207 0.111,1208 3.437,1209 4.801,1210 1.713,1211 12.486,1212 3.223,1213 1.948,1214 1.922,1215 2.059,1216 2.042,1217 1.29,1218 2.047,1219 1.726,1220 1.68,1221 1.97,1222 1.96,1223 1.166,1224 1.933,1225 1.718,1226 1.659,1227 1.796,1228 1.912,1229 0.903,1230 1.908,1231 1.467,1232 1.394,1233 1.646,1234 1.731,1235 0.831,1236 1.707,1237 1.387,1238 1.327,1239 1.589,1240 1.603,1241 0.681,1242 1.608,1243 1.207,1244 1.127,1245 1.551,1246 1.418,1247 0.603,1248 1.469,1249 1.101,1250 1.022,1251 1.36,1252 1.406,1253 0.462,1254 1.403,1255 1.006,1256 0.914,1257 1.294,1258 1.256,1259 0.356,1260 1.285,1261 4.078,1263 5.442,1264 3.045,1265 7.011,1266 5.533,1267 8.683,1268 7.758,1269 10.414,1271 5.834,1277 2.852,1278 2.365,1282 1.376,1289 29.751,1290 74.507,1291 176.853,1292 226.801,1293 238.801,1294 240.801,1295 240.801,1296 43.054,1297 7.778,1298 77.09,1299 77.09,1300 22,1301 12.955,1302 4.17,1303 3.392,1304 37.658,1305 83,1306 84,1307 0.235,1308 181.996,1309 306.58,1310 435.831,1311 22283,1313 18.422,1314 0.709,1315 0.581,1316 18.422,1317 15.113,1318 12.524,1319 0.432,1320 0.303,1321 8.653,1322 12.002,1323 8.383,1324 7.021,1325 12.524,1326 8.792,1327 11.485,1328 0.267,1329 0.154,1330 11.485,1331 6.607,1332 10.32,1333 0.164,1334 0.077,1335 10.32,1336 4.872,1337 9.011,1338 0.099,1339 0.038,1340 9.011,1341 3.415,1342 7.47,1343 0.061,1344 0.02,1345 7.47,1346 2.405,1347 0.35,1348 78.813,1349 0.229,1350 24.252,1351 0.706,1352 144,1353 416.384,1354 160.834,1355 402.111,1356 562.12,1357 376,1358 178,1359 433.907,1360 196.974,1361 436.814,1362 654.76,1363 411,1364 7.252}
{0 CHEMBL239180,1 2.017,2 7.158,3 4.47,4 19.984,5 81.98,6 13.755,7 0.762,8 3.415,9 3.485,10 3.545,11 3.212,12 4.69,13 3.152,14 3.855,15 3.932,16 4.015,17 3.627,18 5.158,19 3.546,20 4.06,21 4.159,22 4.372,23 3.734,24 5.478,25 3.626,26 4.021,27 4.141,28 4.099,29 3.649,30 5.286,31 3.523,32 3.957,33 4.116,34 3.813,35 3.488,36 5.103,37 3.318,38 3.775,39 3.928,40 3.86,41 3.315,42 5.065,43 3.159,44 3.559,45 3.727,46 3.666,47 2.922,48 5.019,49 2.821,50 3.113,51 3.291,52 3.638,53 2.478,54 4.802,55 2.295,56 0.096,57 0.386,58 2.669,59 1.546,60 10.688,61 1.535,62 0.162,63 0.615,64 7.617,65 2.987,66 15.353,67 3.054,68 0.364,69 0.744,70 23.484,71 4.865,72 37.369,73 3.989,74 0.274,75 0.757,76 12.307,77 4.459,78 31.703,79 4.125,80 0.25,81 0.648,82 24.684,83 5.749,84 24.491,85 5.419,86 0.251,87 0.547,88 26.73,89 4.669,90 24.897,91 4.062,92 0.283,93 0.515,94 20.893,95 4.018,96 32.026,97 3.295,98 0.27,99 0.348,100 26.069,101 2.884,102 32.366,103 2.643,104 17,105 31,106 0.39,107 0.758,108 0.859,109 0.894,110 0.894,111 0.894,112 3.012,113 1.056,114 -5.66,115 -5.53,116 -5.16,117 1,118 50,138 3,139 3,140 3,141 1,143 1,147 1,148 1,158 1,159 1,160 1,167 5,171 1,172 1,173 1,175 1,178 8,180 1,182 2,186 1,188 9,190 1,192 2,197 2,199 6,201 2,204 2,208 3,211 3,213 3,215 1,220 1,223 3,225 1,228 1,233 1,235 1,237 1,247 1,264 389,265 12.569,266 12.569,267 12.569,268 12.569,269 12.569,270 10.556,271 6.991,272 7.089,273 13.122,274 10.3,275 10.3,276 10.3,277 10.3,278 10.3,279 7.35,280 4.097,281 3.314,282 11.377,283 2.683,284 0.783,285 0.26,286 0.077,287 0.077,288 0.077,289 3.683,290 1,293 1,294 1,295 291,296 2,299 34.498,300 95.803,303 66.513,307 1.025,308 21.432,311 0.75,312 1,313 1,314 0.4,316 1,317 1,318 0.74,319 40.583,320 136,321 4.719,322 3.383,323 6.963,324 4.237,325 3.282,326 4.697,328 11.767,329 3.141,330 4.221,331 3.274,332 6.099,333 3.746,334 2.823,335 3.889,337 8.785,338 2.584,339 3.799,340 2.773,341 5.81,342 3.348,343 2.44,344 3.254,346 7.699,347 2.157,348 3.521,349 2.351,350 5.411,351 3.037,352 2.142,353 2.904,355 6.458,356 1.84,357 3.185,358 2.125,359 4.648,360 2.64,361 1.741,362 2.478,364 4.738,365 1.53,366 2.82,367 1.879,368 4.144,369 2.319,370 1.414,371 1.949,373 3.537,374 1.217,375 2.564,376 1.173,377 4.018,378 2.025,379 1.084,380 1.594,382 3.065,383 1.001,384 2.294,385 0.964,386 3.611,387 1.645,388 0.848,389 1.207,391 2.174,392 0.644,393 1.434,394 0.657,395 2.748,396 0.958,397 0.145,398 0.177,400 0.314,401 0.093,402 1.37,403 0.556,404 2.692,405 0.905,406 0.099,407 0.12,409 0.219,410 0.07,411 0.782,412 -0.087,413 2.375,414 0.289,415 -0.578,416 -0.733,417 -1.559,418 -0.427,419 0.574,420 -0.493,421 2.247,422 0.051,423 -0.862,424 -1.099,425 -2.237,426 -0.615,427 0.212,428 -0.752,429 2,430 -0.214,431 -1,432 -1.263,433 -2.592,434 -0.772,435 0.087,436 -1.07,437 1.854,438 -0.376,439 -1.251,440 -1.688,441 -3.369,442 -1.106,443 -0.064,444 -1.136,445 1.47,446 -0.582,447 -1.414,448 -1.848,449 -3.823,450 -1.131,451 10.467,452 0.551,453 0.597,454 0.031,455 26.25,456 1.382,457 14.5,458 0.763,459 11.75,460 0.618,461 15.584,462 0.82,463 18.333,464 0.705,465 14.856,466 0.782,467 4.792,468 0.252,469 4.283,470 0.225,471 0.261,473 0.382,477 1,478 0.633,479 0.703,480 0.487,481 0.514,482 0.657,483 0.539,484 0.641,485 0.787,486 0.622,487 0.698,488 0.58,489 0.678,490 0.885,491 0.962,492 0.88,493 0.877,494 0.862,495 0.913,496 0.908,497 1.017,498 0.818,499 0.986,500 0.931,501 1.07,502 0.611,503 0.894,504 0.962,505 1.28,506 0.481,507 1.291,508 1.057,509 0.985,510 1.337,511 1.102,512 0.906,513 1.108,514 1.413,515 1.389,516 1.589,517 1.289,518 1.575,519 1.153,520 1.414,521 0.901,522 1.693,523 1.167,524 1.4,525 1.174,526 4,528 3.111,529 1.465,530 1.513,531 0.518,532 0.424,533 0.28,534 0.103,535 0.016,536 2916,537 13037,538 2.05,539 26.9,541 3,542 1,543 1,544 2,549 1.607,550 1.869,551 2.872,552 0.445,558 52.454,559 2.017,560 3.917,561 4.441,562 4.624,563 4.624,564 4.624,565 2.249,566 3.932,567 4.223,568 2.942,569 502.998,570 7.212,571 4759.72,573 1,575 1,576 122.211,577 1.529,578 4.153,579 0.19,581 0.1,582 0.046,583 0.056,584 0.026,585 0.024,586 0.022,587 0.015,588 0.008,589 0.486,590 0.5,591 0.88,592 0.697,593 80.242,594 -0.091,595 0.107,596 -0.012,597 0.108,598 -0.124,599 0.101,600 -0.016,601 0.047,602 -0.02,603 0.037,604 0.02,605 0.053,606 0.033,607 -0.009,608 0.03,610 0.046,611 -0.076,612 -0.126,613 -0.128,614 -0.04,615 -0.085,616 -0.15,617 -0.161,618 -0.006,619 -0.17,620 -0.089,621 -0.237,622 0.041,623 -0.17,624 -0.158,625 -0.132,626 -0.13,627 -0.027,628 -0.094,629 -0.022,630 0.001,631 -0.22,632 -0.142,633 -0.133,634 -0.11,635 -0.011,636 0.408,637 0.32,638 0.138,639 0.156,640 0.418,641 0.146,642 2.1,643 5.224,644 0.789,645 10.87,646 1.034,647 1.104,648 4.431,649 19.636,650 0.84,651 3.091,652 3.466,653 3.784,654 4.06,655 4.29,656 4.344,657 4.407,658 4.522,659 4.443,660 4.304,661 4.366,662 0.791,663 357.64,664 3.091,665 4.654,666 5.533,667 6.438,668 7.338,669 8.246,670 9.153,671 10.063,672 10.973,673 11.885,674 7.7,678 1,684 1,689 2,690 5,691 1,694 1,695 6,697 16,708 1,715 3,716 26,718 16,719 1,720 21,721 1,722 28,723 13,724 13,725 3,726 3,728 3,729 4,730 1,740 13,757 1,758 1,760 7,761 3,762 2,763 6,764 3,769 2,775 0.667,787 1,793 1,794 2,797 1,819 2,821 1,822 1,824 1,825 1,827 19,828 1,845 1,849 3,858 10.167,859 4.795,860 4.083,861 1.39,863 3.209,864 1.479,865 1.058,866 3.392,867 9.903,868 3.401,869 4.123,870 4.811,871 5.467,872 6.031,873 6.401,874 6.815,875 7.287,876 7.513,877 7.748,878 0.8,879 32,880 6.98,881 3.054,882 7.975,883 12.998,884 10.846,885 2.475,886 47.028,887 0.001,890 58.856,891 104.097,892 95.637,893 39.149,895 14.96,896 31.278,897 118.774,898 98.004,899 64.643,902 68.975,903 28.557,904 33.668,905 29.805,906 66.591,907 85.103,908 58.856,909 122.503,910 14.96,911 70.426,912 45.954,913 73.816,917 9.047,918 96.67,919 55.934,920 77.232,921 73.816,922 49.683,923 189.2,926 58.856,927 58.972,928 45.125,929 45.954,930 103.791,931 58.856,932 64.643,933 189.2,935 0.601,936 0.367,937 0.191,938 0.107,939 17,940 8,941 0.036,942 1,943 1,944 1.133,945 3.023,946 147.567,947 0.133,948 15,949 80.711,950 1,954 13.129,955 4.909,956 2.209,957 1.88,958 64.643,959 8.275,960 4.136,963 1.556,964 2.74,966 32.897,967 312.699,968 29,980 26.88,981 28.703,983 0.429,984 0.833,985 0.945,986 0.984,987 0.984,988 0.984,989 4.644,990 0.848,991 5.557,992 3.065,993 4.143,994 4.808,996 6.431,997 3.959,998 5.911,999 0.145,1000 7.165,1001 2.174,1002 3.892,1003 4.808,1005 7.469,1006 3.596,1007 7.26,1008 0.099,1009 8.872,1010 0.314,1011 5.802,1012 7.169,1014 10.602,1015 5.51,1016 8.649,1017 -0.578,1018 10.636,1019 0.219,1020 6.347,1021 7.994,1023 12.472,1024 5.964,1025 10.069,1026 -0.862,1027 12.436,1028 -1.559,1029 7.772,1030 9.844,1032 15.149,1033 7.393,1034 11.512,1035 -1,1036 14.262,1037 -2.237,1038 8.665,1039 11.05,1041 17.365,1042 8.219,1043 12.974,1044 -1.251,1045 16.106,1046 -2.592,1047 9.917,1048 12.704,1050 19.894,1051 9.46,1052 3.282,1053 -1.414,1054 17.965,1055 -3.369,1056 10.965,1057 14.09,1059 22.256,1060 10.457,1061 2.823,1062 11.767,1063 19.836,1064 -3.823,1065 12.157,1066 15.668,1068 24.737,1069 11.628,1070 2.44,1071 8.785,1072 21.718,1073 4.697,1074 13.274,1075 17.137,1077 27.159,1078 12.702,1079 2.142,1080 7.699,1081 23.607,1082 3.889,1083 14.449,1084 18.687,1086 29.626,1087 13.847,1088 1.741,1089 6.458,1090 25.504,1091 3.254,1092 15.598,1093 20.194,1095 32.072,1096 14.957,1097 1.414,1098 4.738,1099 27.407,1100 2.904,1101 16.771,1102 21.736,1104 34.536,1105 16.096,1106 1.084,1107 3.537,1108 29.314,1109 2.478,1110 17.935,1111 23.262,1113 36.993,1114 17.221,1115 2909,1116 6233,1117 13.641,1118 21.852,1119 32.258,1120 33.554,1121 34.169,1122 32.1,1123 32.035,1124 44.538,1126 97.51,1127 28.557,1128 5.38,1129 5.383,1130 6.277,1131 5.341,1132 5.282,1133 7.697,1135 19.119,1136 5.141,1137 10.212,1138 1.536,1139 1.598,1140 1.627,1141 1.529,1142 1.525,1143 2.121,1145 4.643,1146 1.36,1147 4.104,1148 4.111,1149 6.881,1150 4.124,1151 8.201,1152 4.076,1153 3.836,1154 3.855,1155 4.302,1156 3.79,1157 5.185,1158 3.775,1159 3.305,1160 3.343,1161 3.985,1162 3.255,1163 4.864,1164 3.207,1165 3.082,1166 3.156,1167 3.425,1168 2.973,1169 4.649,1170 2.924,1171 2.879,1172 2.922,1173 3.314,1174 2.798,1175 4.363,1176 2.769,1177 2.802,1178 2.84,1179 2.949,1180 2.686,1181 4.134,1182 2.666,1183 2.367,1184 2.443,1185 2.705,1186 2.207,1187 3.671,1188 2.177,1189 2.276,1190 2.362,1191 2.329,1192 2.037,1193 3.44,1194 1.999,1195 0.225,1196 0.161,1197 0.332,1198 0.202,1199 0.156,1200 4.719,1201 0.224,1202 3.383,1204 6.963,1205 0.56,1206 4.237,1207 0.15,1208 3.282,1209 4.697,1211 11.767,1212 3.141,1213 1.944,1214 1.93,1215 1.989,1216 2.012,1217 1.16,1218 2.011,1219 1.794,1220 1.783,1221 1.794,1222 1.879,1223 0.978,1224 1.88,1225 1.364,1226 1.365,1227 1.346,1228 1.392,1229 0.601,1230 1.443,1231 0.905,1232 0.831,1233 1.177,1234 1.239,1235 0.167,1236 1.239,1237 0.868,1238 0.824,1239 1.084,1240 1.013,1241 0.107,1242 1.057,1243 0.847,1244 0.819,1245 0.875,1246 0.935,1248 0.987,1249 0.59,1250 0.538,1251 0.777,1252 0.806,1254 0.799,1255 0.145,1256 0.043,1257 0.263,1258 0.379,1260 0.405,1261 3.761,1263 5.118,1264 2.398,1265 6.676,1266 4.727,1267 8.327,1268 6.88,1269 10.027,1270 3.449,1272 5.825,1273 13.224,1275 5.943,1289 20.573,1290 52.454,1291 101.847,1292 115.457,1293 120.211,1294 120.211,1295 120.211,1296 30.002,1297 6.695,1298 38.91,1299 67.15,1300 17,1301 12.399,1302 4.087,1303 3.17,1304 27.664,1305 49,1306 49,1307 0.289,1308 138.963,1309 226.27,1310 330.831,1311 5956,1312 11.5,1313 13.569,1314 0.714,1315 0.664,1316 14.552,1317 12.612,1318 9.075,1319 0.432,1320 0.352,1321 5.447,1322 7.614,1323 5.174,1324 4.227,1325 9.985,1326 7.393,1327 8.542,1328 0.276,1329 0.197,1330 9.72,1331 6.115,1332 7.532,1333 0.175,1334 0.116,1335 8.721,1336 4.978,1337 6.055,1338 0.106,1339 0.064,1340 7.747,1341 3.662,1342 5.021,1343 0.07,1344 0.035,1345 6.516,1346 2.488,1347 0.429,1348 72.149,1349 0.271,1350 18.418,1351 0.87,1352 104,1353 364.787,1354 214.306,1355 422.19,1356 547.98,1357 390,1358 126,1359 333.639,1360 211.183,1361 372.791,1362 551.02,1363 350,1364 6.24}
{0 CHEMBL239182,1 1.808,2 10.607,3 4.277,4 18.296,5 112.623,6 9.579,7 0.71,8 3.883,9 3.978,10 3.694,11 3.582,12 5.14,13 3.543,14 4.342,15 4.452,16 4.1,17 3.991,18 5.627,19 3.931,20 4.592,21 4.726,22 4.234,23 4.12,24 5.897,25 4.045,26 4.647,27 4.815,28 4.231,29 4.145,30 5.82,31 4.041,32 4.65,33 4.818,34 4.123,35 4.122,36 5.797,37 3.998,38 4.586,39 4.763,40 4.169,41 4.028,42 5.787,43 3.919,44 4.521,45 4.713,46 3.99,47 3.85,48 5.789,49 3.768,50 4.398,51 4.594,52 3.814,53 3.692,54 5.761,55 3.599,56 0.092,57 0.649,58 5.302,59 3.455,60 15.724,61 3.672,62 0.178,63 1.02,64 10.929,65 6.328,66 30.176,67 7.094,68 0.415,69 1.279,70 17.367,71 8.248,72 63.243,73 8.537,74 0.294,75 1.39,76 21.878,77 9.644,78 40.66,79 10.917,80 0.317,81 1.348,82 26.46,83 10.44,84 44.735,85 10.89,86 0.303,87 1.268,88 24.823,89 9.152,90 41.511,91 9.869,92 0.406,93 1.273,94 22.655,95 8.466,96 55.274,97 8.794,98 0.438,99 1.09,100 19.073,101 7.197,102 61.631,103 8.496,104 28,105 45,106 0.309,107 0.656,108 0.793,109 0.895,110 0.902,111 0.902,112 3.375,113 0.937,114 -5.35,115 -5.23,116 -4.89,118 48.8,120 1,138 7,139 6,140 2,141 1,143 1,147 1,148 1,153 1,158 2,159 2,160 2,167 13,171 3,172 2,173 2,175 2,178 20,180 2,182 3,186 2,188 17,190 2,192 6,197 5,199 14,201 5,204 6,208 5,211 11,213 5,215 5,220 5,223 12,225 5,228 1,233 3,235 10,237 3,239 1,240 2,242 1,243 1,245 4,247 9,249 4,252 1,257 1,260 8,262 1,264 1190,265 18.654,266 18.654,267 18.654,268 18.654,269 18.654,270 15.826,271 11.054,272 10.766,273 19.039,274 15.287,275 15.287,276 15.287,277 15.287,278 15.287,279 11.063,280 9.853,281 5.097,282 16.006,283 3.619,284 1.586,285 0.783,286 0.186,287 0.14,288 0.14,289 4.068,290 1,293 1,294 1,295 638,296 3,299 55.461,300 231.198,303 105.447,307 1.75,308 32.955,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 60.333,320 297,321 4.749,322 3.56,323 7.014,324 4.285,325 3.318,326 4.726,327 1.969,328 11.985,329 3.209,330 4.279,331 3.362,332 6.359,333 3.882,334 2.904,335 3.938,336 0.219,337 9.692,338 2.858,339 4.119,340 3.257,341 5.962,342 3.678,343 2.729,344 3.742,346 8.325,347 2.586,348 3.811,349 2.841,350 5.657,351 3.461,352 2.477,353 3.238,355 7.453,356 2.403,357 3.596,358 2.524,359 5.432,360 3.205,361 2.246,362 2.946,364 6.916,365 2.112,366 3.429,367 2.324,368 5.017,369 2.973,370 1.996,371 2.714,373 5.556,374 1.951,375 3.248,376 2.125,377 4.553,378 2.743,379 1.807,380 2.508,382 4.642,383 1.653,384 2.917,385 1.94,386 4.363,387 2.433,388 1.446,389 2.09,391 4.059,392 1.421,393 2.82,394 1.551,395 4.069,396 2.319,397 1.414,398 1.948,400 3.523,401 1.217,402 2.638,403 1.197,404 3.993,405 2.148,406 1.157,407 1.702,409 2.959,410 1.143,411 2.55,412 1.081,413 3.609,414 2.002,415 1.06,416 1.575,417 2.558,418 0.988,419 2.227,420 0.838,421 3.467,422 1.614,423 0.776,424 1.108,425 2.024,426 0.632,427 1.371,428 0.656,429 2.82,430 0.945,431 0.101,432 0.123,433 0.224,434 0.075,435 1.321,436 0.625,437 2.733,438 0.894,439 -0.029,440 -0.037,441 -0.071,442 -0.027,443 1.177,444 0.074,445 2.522,446 0.858,447 -0.153,448 -0.186,449 -0.395,450 -0.154,451 13.867,452 0.495,453 0.822,454 0.029,455 39.25,456 1.402,457 22,458 0.786,459 17.25,460 0.616,461 22.317,462 0.797,463 28.133,464 0.654,465 29.766,466 1.063,467 7.72,468 0.276,469 5.715,470 0.204,471 0.154,473 0.397,477 1,478 0.656,479 0.758,480 0.607,481 0.645,482 0.677,483 0.663,484 0.537,485 0.842,486 0.71,487 0.845,488 0.509,489 0.818,490 0.958,491 0.936,492 0.89,493 0.893,494 0.991,495 0.964,496 0.676,497 0.982,498 0.888,499 1.028,500 0.633,501 0.985,502 0.705,503 0.917,504 1.232,505 1.233,506 0.637,507 1.107,508 0.774,509 1.002,510 0.935,511 1.021,512 0.704,513 1.017,514 0.943,515 1.123,516 0.979,517 1.127,518 0.966,519 1.046,520 0.731,521 0.913,522 0.921,523 1.061,524 0.838,525 1.118,526 6,527 0.124,528 3.556,529 2.09,530 1.81,531 1.073,532 0.864,533 0.521,534 0.32,535 0.259,536 9108,537 32411,538 2.072,539 34.9,541 7,542 1,543 1,544 4,545 2,549 1.714,550 1.909,551 3.39,552 1.662,554 1,558 77.732,559 1.808,560 3.841,561 4.644,562 5.24,563 5.287,564 5.287,565 2.91,566 4.593,567 4.775,568 3.521,569 1330.99,570 8.323,571 16954.5,573 1,575 1,576 233.329,577 1.497,578 4.723,579 0.194,580 0.008,581 0.079,582 0.044,583 0.039,584 0.026,585 0.022,586 0.015,587 0.011,588 0.012,589 0.45,591 1,592 0.959,593 138.817,594 -0.095,595 0.16,596 0.001,597 0.16,598 -0.122,599 0.121,600 0.075,601 0.059,602 0.026,603 0.05,604 0.086,605 0.044,606 -0.054,607 0.023,608 -0.046,609 0.016,610 -0.073,611 -0.072,612 -0.008,613 -0.079,614 0.049,615 -0.009,616 -0.005,617 0.006,618 -0.084,619 -0.081,620 -0.175,621 -0.128,622 -0.042,623 -0.102,624 -0.045,625 -0.127,626 0.067,627 -0.016,628 -0.026,629 -0.03,630 -0.001,631 -0.116,632 -0.003,633 -0.129,634 -0.05,635 -0.059,636 0.236,637 -0.001,638 0.04,639 -0.13,640 0.13,641 -0.111,642 2.136,643 5.548,644 0.75,645 26.214,646 1.017,647 1.112,648 4.116,649 16.945,650 0.75,651 3.466,652 3.829,653 4.127,654 4.443,655 4.7,656 4.844,657 5.011,658 5.193,659 5.273,660 5.361,661 6.202,662 0.718,663 411.91,664 3.466,665 5.03,666 5.9,667 6.804,668 7.696,669 8.606,670 9.509,671 10.425,672 11.334,673 12.252,674 7,678 1,681 1,684 1,689 2,690 9,691 1,694 1,695 8,697 22,708 1,715 2,716 43,718 23,719 2,720 31,722 46,723 21,724 19,725 5,726 7,728 4,729 5,730 1,738 1,740 20,741 1,744 1,749 1,753 1,757 1,758 1,760 15,761 5,762 4,763 7,764 2,769 3,775 0.75,776 1,787 1,793 1,794 3,797 1,806 1,819 3,821 1,824 1,825 1,827 28,828 2,833 1,845 1,849 2,850 2.3,853 1,858 14.667,859 7.736,860 6.028,861 2.348,863 4.434,864 1.566,865 1.048,866 5.046,867 12.272,868 3.784,869 4.469,870 5.119,871 5.799,872 6.401,873 6.829,874 7.342,875 7.869,876 8.261,877 8.679,878 1,879 47,880 10.322,881 4.535,882 7.992,883 19.242,884 16.115,885 2.492,886 69.778,889 1,890 129.482,891 155.743,892 82.58,893 39.149,894 25.145,895 14.96,896 31.278,897 124.466,898 193.776,899 97.54,901 35.432,902 106.88,903 58.406,904 40.17,905 29.805,906 137.218,907 39.149,908 129.482,909 207.045,910 40.105,911 70.426,913 144.442,914 25.145,917 44.479,918 145.781,919 55.934,920 31.278,921 144.442,922 107.725,923 194.892,926 129.482,927 72.713,928 83.03,930 161.834,931 129.482,932 122.685,933 194.892,935 0.592,936 0.343,937 0.189,938 0.106,939 23,940 11,941 0.087,942 4,943 1,944 1.095,945 3.837,946 254.856,947 0.095,948 21,949 134.606,950 1,954 18.851,955 7.495,956 3.633,957 1.754,958 122.685,959 15.877,960 4.358,963 1.526,964 4.247,966 65.794,967 447.059,968 43,973 11.243,977 -0.385,980 43.731,981 47.814,983 0.333,984 0.708,985 0.856,986 0.966,987 0.974,988 0.974,989 5.027,990 1.446,991 5.911,992 4.642,993 4.511,994 5.156,995 2.035,996 6.767,997 4.426,998 6.277,999 1.414,1000 7.499,1001 4.059,1002 4.205,1003 5.085,1004 1.593,1005 7.761,1006 4.08,1007 7.612,1008 1.157,1009 9.188,1010 3.523,1011 6.146,1012 7.46,1013 3.061,1014 10.898,1015 6.006,1016 8.983,1017 1.06,1018 10.935,1019 2.959,1020 6.635,1021 8.21,1022 3.123,1023 12.742,1024 6.45,1025 10.385,1026 0.776,1027 12.721,1028 2.558,1029 8.082,1030 10.077,1031 4.261,1032 15.42,1033 7.887,1034 11.811,1035 0.101,1036 14.534,1037 2.024,1038 8.934,1039 11.229,1040 4.586,1041 17.624,1042 8.696,1043 13.257,1044 -0.029,1045 16.369,1046 0.224,1047 10.196,1048 12.891,1049 5.532,1050 20.155,1051 9.942,1052 3.318,1053 -0.153,1054 18.22,1055 -0.071,1056 11.219,1057 14.243,1058 6.005,1059 22.514,1060 10.926,1061 2.904,1062 11.985,1063 20.085,1064 -0.395,1065 12.414,1066 15.823,1067 6.84,1068 25,1069 12.098,1070 2.729,1071 9.692,1072 21.961,1073 4.726,1074 13.518,1075 17.274,1076 7.398,1077 27.426,1078 13.166,1079 2.477,1080 8.325,1081 23.847,1082 3.938,1083 14.693,1084 18.824,1085 8.167,1086 29.901,1087 14.314,1088 2.246,1089 7.453,1090 25.74,1091 3.742,1092 15.836,1093 20.323,1094 8.774,1095 32.356,1096 15.422,1097 1.996,1098 6.916,1099 27.64,1100 3.238,1101 17.009,1102 21.865,1103 9.505,1104 34.83,1105 16.565,1106 1.807,1107 5.556,1108 29.547,1109 2.946,1110 18.173,1111 23.388,1112 10.141,1113 37.299,1114 17.695,1115 8817,1116 16755,1117 20.403,1118 32.245,1119 47.475,1120 48.87,1121 49.312,1122 46.802,1123 46.863,1124 64.714,1125 4.376,1126 139.833,1127 44.496,1128 5.489,1129 5.56,1130 6.562,1131 5.393,1132 5.318,1133 7.726,1134 3.473,1135 19.555,1136 5.209,1137 15.566,1138 1.531,1139 1.576,1140 1.591,1141 1.51,1142 1.512,1143 2.088,1144 0.141,1145 4.511,1146 1.435,1147 4.136,1148 4.145,1149 4.347,1150 4.142,1151 8.201,1152 4.104,1153 3.915,1154 3.937,1155 3.991,1156 3.866,1157 7.437,1158 3.86,1159 3.807,1160 3.83,1161 3.855,1162 3.758,1163 5.187,1164 3.74,1165 3.495,1166 3.539,1167 3.473,1168 3.305,1169 4.889,1170 3.317,1171 3.292,1172 3.337,1173 3.39,1174 3.171,1175 4.863,1176 3.161,1177 3.084,1178 3.159,1179 3.316,1180 2.944,1181 4.748,1182 2.924,1183 2.887,1184 2.978,1185 3.031,1186 2.799,1187 4.566,1188 2.77,1189 2.879,1190 2.922,1191 2.824,1192 2.708,1193 4.342,1194 2.694,1195 0.153,1196 0.115,1197 0.226,1198 0.138,1199 0.107,1200 4.749,1201 0.152,1202 3.56,1203 0.064,1204 7.014,1205 0.387,1206 4.285,1207 0.104,1208 3.318,1209 4.726,1210 1.969,1211 11.985,1212 3.209,1213 2.004,1214 1.988,1215 2.072,1216 2.07,1217 1.245,1218 2.073,1219 1.907,1220 1.89,1221 1.977,1222 1.975,1223 1.131,1224 1.982,1225 1.74,1226 1.719,1227 1.799,1228 1.855,1229 0.968,1230 1.85,1231 1.415,1232 1.388,1233 1.592,1234 1.657,1235 0.688,1236 1.636,1237 1.337,1238 1.321,1239 1.366,1240 1.391,1241 0.584,1242 1.436,1243 0.952,1244 0.892,1245 1.208,1246 1.249,1247 0.217,1248 1.249,1249 0.871,1250 0.831,1251 1.172,1252 1.144,1253 0.167,1254 1.17,1255 0.86,1256 0.824,1257 1.084,1258 1.013,1259 0.06,1260 1.058,1261 4.143,1263 5.493,1264 2.398,1265 7.036,1266 4.727,1267 8.673,1268 6.88,1269 10.361,1272 5.952,1273 13.548,1275 11.488,1277 0.17,1289 30.865,1290 77.732,1291 165.149,1292 199.678,1293 225.329,1294 227.329,1295 227.329,1296 54.107,1297 7.838,1298 82,1299 110.24,1300 23,1301 12.764,1302 4.585,1303 3.7,1304 42.3,1305 103,1306 106,1307 0.205,1308 195.476,1309 331.36,1310 468.721,1311 26758,1312 4.7,1313 19.836,1314 0.708,1315 0.577,1316 19.819,1317 16.15,1318 13.436,1319 0.433,1320 0.312,1321 8.457,1322 12.368,1323 8.155,1324 6.713,1325 13.768,1326 9.683,1327 12.651,1328 0.281,1329 0.17,1330 13.088,1331 7.67,1332 10.462,1333 0.172,1334 0.095,1335 10.767,1336 5.774,1337 9.008,1338 0.107,1339 0.054,1340 10.122,1341 4.499,1342 7.395,1343 0.068,1344 0.028,1345 8.259,1346 3.082,1347 0.315,1348 90.805,1349 0.221,1350 26.341,1351 0.581,1352 152,1353 491.18,1354 199.677,1355 512.049,1356 679.26,1357 474,1358 182,1359 454.387,1360 224.878,1361 485.454,1362 711.61,1363 456,1364 7.357}
{0 CHEMBL241516,1 1.762,2 9.042,3 4.09,4 16.726,5 97.336,6 10.167,7 0.815,8 3.697,9 3.784,10 3.574,11 3.43,12 4.954,13 3.39,14 4.144,15 4.246,16 3.973,17 3.832,18 5.394,19 3.775,20 4.356,21 4.485,22 4.12,23 3.939,24 5.669,25 3.868,26 4.385,27 4.53,28 4.083,29 3.942,30 5.576,31 3.838,32 4.387,33 4.554,34 3.957,35 3.897,36 5.501,37 3.766,38 4.267,39 4.429,40 3.955,41 3.749,42 5.489,43 3.646,44 4.167,45 4.364,46 3.691,47 3.478,48 5.478,49 3.414,50 3.994,51 4.214,52 3.307,53 3.259,54 5.32,55 3.153,56 0.068,57 0.534,58 3.206,59 2.551,60 8.378,61 2.634,62 0.135,63 0.855,64 7.248,65 4.543,66 14.188,67 4.688,68 0.302,69 1.043,70 12.065,71 6.057,72 36.108,73 6.284,74 0.243,75 1.116,76 14.282,77 6.829,78 30.09,79 6.958,80 0.253,81 1.09,82 21.702,83 8.152,84 25.696,85 8.073,86 0.216,87 0.954,88 17.412,89 6.301,90 23.545,91 6.27,92 0.325,93 0.94,94 13.901,95 5.587,96 39.098,97 5.667,98 0.303,99 0.76,100 13.22,101 4.815,102 40.246,103 5.815,104 10,105 39,106 0.314,107 0.624,108 0.8,109 0.883,110 0.903,111 0.903,112 3.23,113 0.936,114 -5.16,115 -5.05,116 -4.73,118 51.4,138 5,139 5,140 2,141 3,143 1,147 1,148 1,158 1,159 1,160 1,167 8,171 4,172 1,173 1,175 1,178 12,180 1,182 4,186 1,188 11,190 1,192 3,197 3,199 9,201 3,203 1,204 5,208 3,211 8,213 3,215 2,220 2,223 6,225 2,228 2,230 1,231 1,233 2,235 5,237 2,240 2,247 4,252 1,260 2,264 768,265 16.345,266 16.345,267 16.345,268 16.345,269 16.345,270 13.696,271 5.347,272 9.49,273 16.819,274 13.304,275 13.304,276 13.304,277 13.304,278 13.304,279 9.429,280 3.421,281 4.479,282 14.154,283 3.368,284 1.626,285 0.639,286 0.171,287 0.057,288 0.057,289 3.926,290 1,292 1,293 1,294 1,295 476,296 2.121,299 44.973,300 188.16,303 85.934,307 1.465,308 23.756,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 51.333,320 217,321 4.748,322 3.362,323 7.013,324 4.282,325 3.316,326 4.725,328 11.981,329 3.205,330 4.263,331 3.256,332 6.348,333 3.851,334 2.884,335 3.923,337 9.636,338 2.807,339 4.054,340 2.78,341 5.955,342 3.614,343 2.671,344 3.639,346 8.27,347 2.484,348 3.65,349 2.396,350 5.629,351 3.228,352 2.28,353 3.069,355 7.155,356 2.116,357 3.44,358 2.125,359 5.085,360 2.909,361 1.994,362 2.844,364 5.687,365 1.827,366 3.168,367 2.041,368 4.549,369 2.644,370 1.703,371 2.468,373 4.461,374 1.582,375 2.821,376 1.727,377 4.122,378 2.319,379 1.414,380 1.95,382 3.536,383 1.217,384 2.732,385 1.276,386 4.017,387 2.218,388 1.255,389 1.84,391 3.174,392 1.201,393 2.551,394 1.085,395 3.672,396 2.001,397 1.062,398 1.576,400 2.701,401 0.987,402 2.5,403 1,404 3.445,405 1.956,406 1,407 1.5,409 2.136,410 0.953,411 2.225,412 0.835,413 3.247,414 1.612,415 0.774,416 1.106,417 1.997,418 0.631,419 1.371,420 0.625,421 2.771,422 0.944,423 0.101,424 0.123,425 0.224,426 0.075,427 1.319,428 0.074,429 2.725,430 0.888,431 -0.029,432 -0.037,433 -0.07,434 -0.027,435 0.783,436 -0.098,437 2.376,438 0.294,439 -0.579,440 -0.739,441 -1.55,442 -0.434,443 0.648,444 -0.665,445 2.268,446 0.168,447 -0.782,448 -1.049,449 -1.777,450 -0.724,451 12.033,452 0.501,453 0.61,454 0.025,455 35.75,456 1.49,457 20.5,458 0.854,459 15.25,460 0.635,461 17.02,462 0.709,463 23.367,464 0.668,465 24.259,466 1.011,467 6.945,468 0.289,469 4.703,470 0.196,471 0.116,473 0.374,477 1,478 0.63,479 0.799,480 0.573,481 0.651,482 0.646,483 0.649,484 0.673,485 0.82,486 0.743,487 0.799,488 0.603,489 0.765,490 0.842,491 0.962,492 0.842,493 0.902,494 0.819,495 0.92,496 0.835,497 1.015,498 1.001,499 1.095,500 0.842,501 1.049,502 0.613,503 0.893,504 1.316,505 1.336,506 0.469,507 1.125,508 0.855,509 1.076,510 1.002,511 1.091,512 0.759,513 1.085,514 1.007,515 1.107,516 0.841,517 1.041,518 1.171,519 1.061,520 0.866,521 0.837,522 0.974,523 0.919,524 0.848,525 1.118,526 4,527 0.066,528 3.333,529 1.653,530 1.499,531 0.844,532 0.696,533 0.343,534 0.152,535 0.118,536 6012,537 20982,538 2.135,539 31.4,541 5,542 1,543 3,544 2,549 1.673,550 2,551 3.173,552 0.296,554 1,558 61.658,559 1.762,560 3.504,561 4.49,562 4.958,563 5.072,564 5.072,565 2.685,566 4.054,567 4.555,568 3.273,569 903.26,570 7.884,571 10123.7,573 1,575 1,576 179.525,577 1.406,578 4.518,579 0.148,580 0.008,581 0.085,582 0.04,583 0.039,584 0.025,585 0.022,586 0.014,587 0.009,588 0.01,589 0.402,590 0.5,591 1,592 0.566,593 111.648,594 -0.073,595 0.055,596 0.007,597 0.1,598 -0.108,599 0.08,600 -0.032,601 0.061,602 -0.028,603 0.043,604 -0.003,605 0.029,606 0.041,607 -0.014,608 0.013,609 -0.01,610 0.062,611 -0.045,612 -0.082,613 -0.106,614 -0.051,615 -0.08,616 -0.103,617 -0.111,618 -0.027,619 -0.076,620 -0.182,621 -0.178,622 0.015,623 -0.09,624 -0.071,625 -0.203,626 0.019,627 -0.101,628 -0.041,629 -0.123,630 0.086,631 -0.082,632 0.072,633 -0.11,634 -0.028,635 -0.059,636 0.198,637 0.079,638 0.018,639 -0.004,640 0.208,641 -0.016,642 2.109,643 5.446,644 0.875,645 18.833,646 1.018,647 1.108,648 3.928,649 15.428,650 0.779,651 3.332,652 3.689,653 4.025,654 4.331,655 4.595,656 4.71,657 4.868,658 5.024,659 5.081,660 5.112,661 5.313,662 0.746,663 355.84,664 3.332,665 4.89,666 5.771,667 6.673,668 7.575,669 8.485,670 9.396,671 10.311,672 11.226,673 12.144,674 8.6,678 1,684 2,689 2,690 9,691 2,694 1,695 7,697 22,708 1,715 2,716 35,718 22,719 1,720 27,722 38,723 18,724 18,725 3,726 3,728 4,729 5,730 1,740 18,757 1,758 1,760 11,761 4,762 2,763 6,764 2,769 3,775 0.75,787 2,793 1,794 3,797 1,819 3,821 1,824 1,825 1,827 24,828 1,845 1,849 2,858 12,859 6.436,860 5.194,861 1.939,863 4.231,864 1.566,865 1.067,866 3.851,867 11.7,868 3.664,869 4.36,870 5.054,871 5.729,872 6.333,873 6.74,874 7.253,875 7.767,876 8.144,877 8.531,878 1,879 41,880 8.824,881 3.87,882 7.873,883 16.575,884 13.891,885 2.373,886 56.944,890 105.94,891 144.461,892 66.468,893 39.149,895 14.96,896 31.278,897 113.183,898 145.089,899 81.428,902 87.927,903 68.884,904 55.079,905 29.805,906 90.133,907 39.149,908 105.94,909 179.651,910 14.96,911 70.426,913 120.9,917 27.142,918 118.938,919 72.72,920 31.278,921 120.9,922 66.468,923 183.61,926 105.94,927 62.288,928 82.173,930 120.577,931 105.94,932 81.428,933 183.61,935 0.59,936 0.358,937 0.196,938 0.111,939 21,940 9,941 0.053,942 2,943 1,944 1.095,945 3.543,946 209.239,947 0.095,948 21,949 110.039,950 1,954 15.34,955 6.024,956 2.645,957 1.87,958 81.428,959 15.786,960 8.495,963 1.57,964 3.729,966 32.897,967 370.978,968 38,980 35.636,981 38.775,983 0.343,984 0.683,985 0.875,986 0.967,987 0.989,988 0.989,989 4.894,990 1.255,991 5.771,992 3.536,993 4.369,994 5.047,996 6.637,997 4.255,998 6.14,999 1.062,1000 7.365,1001 3.174,1002 4.007,1003 4.913,1005 7.656,1006 3.843,1007 7.473,1008 1,1009 9.062,1010 2.701,1011 6.009,1012 7.37,1014 10.811,1015 5.825,1016 8.849,1017 0.774,1018 10.821,1019 2.136,1020 6.494,1021 8.107,1023 12.688,1024 6.267,1025 10.258,1026 0.101,1027 12.621,1028 1.997,1029 7.966,1030 10.01,1032 15.371,1033 7.723,1034 11.692,1035 -0.029,1036 14.448,1037 0.224,1038 8.83,1039 11.162,1041 17.594,1042 8.549,1043 13.147,1044 -0.579,1045 16.295,1046 -0.07,1047 10.104,1048 12.841,1050 20.128,1051 9.803,1052 3.316,1053 -0.782,1054 18.157,1055 -1.55,1056 11.139,1057 14.197,1059 22.495,1060 10.804,1061 2.884,1062 11.981,1063 20.032,1064 -1.777,1065 12.342,1066 15.786,1068 24.984,1069 11.983,1070 2.671,1071 9.636,1072 21.916,1073 4.725,1074 13.455,1075 17.241,1077 27.413,1078 13.063,1079 2.28,1080 8.27,1081 23.809,1082 3.923,1083 14.637,1084 18.797,1086 29.889,1087 14.217,1088 1.994,1089 7.155,1090 25.708,1091 3.639,1092 15.786,1093 20.299,1095 32.346,1096 15.335,1097 1.703,1098 5.687,1099 27.613,1100 3.069,1101 16.964,1102 21.844,1104 34.821,1105 16.483,1106 1.414,1107 4.461,1108 29.523,1109 2.844,1110 18.132,1111 23.37,1113 37.29,1114 17.618,1115 5727,1116 10823,1117 18.205,1118 27.267,1119 41.339,1120 41.933,1121 42.607,1122 40.931,1123 40.907,1124 57.527,1126 121.916,1127 38.167,1128 5.41,1129 5.362,1130 6.815,1131 5.389,1132 5.316,1133 7.725,1135 19.54,1136 5.205,1137 10.546,1138 1.531,1139 1.553,1140 1.578,1141 1.516,1142 1.515,1143 2.131,1145 4.515,1146 1.414,1147 4.129,1148 4.139,1149 4.346,1150 4.135,1151 8.201,1152 4.096,1153 3.88,1154 3.905,1155 3.991,1156 3.816,1157 5.189,1158 3.814,1159 3.759,1160 3.792,1161 3.781,1162 3.686,1163 4.903,1164 3.673,1165 3.294,1166 3.338,1167 3.434,1168 3.191,1169 4.86,1170 3.172,1171 3.081,1172 3.158,1173 3.319,1174 2.945,1175 4.606,1176 2.923,1177 2.879,1178 2.922,1179 3.03,1180 2.799,1181 4.348,1182 2.77,1183 2.809,1184 2.857,1185 2.82,1186 2.707,1187 4.134,1188 2.687,1189 2.768,1190 2.84,1191 2.624,1192 2.567,1193 3.822,1194 2.571,1195 0.176,1196 0.125,1197 0.26,1198 0.159,1199 0.123,1200 4.748,1201 0.175,1202 3.362,1204 7.013,1205 0.444,1206 4.282,1207 0.119,1208 3.316,1209 4.725,1211 11.981,1212 3.205,1213 1.978,1214 1.961,1215 2.026,1216 2.055,1217 1.193,1218 2.052,1219 1.879,1220 1.862,1221 1.948,1222 1.956,1223 1.069,1224 1.962,1225 1.675,1226 1.642,1227 1.754,1228 1.813,1229 0.825,1230 1.805,1231 1.354,1232 1.354,1233 1.367,1234 1.392,1235 0.593,1236 1.438,1237 0.95,1238 0.89,1239 1.208,1240 1.247,1241 0.217,1242 1.246,1243 0.871,1244 0.831,1245 1.084,1246 1.013,1247 0.167,1248 1.058,1249 0.859,1250 0.824,1251 1.055,1252 0.995,1253 0.04,1254 1.026,1255 0.744,1256 0.658,1257 0.936,1258 0.935,1260 0.987,1261 4.007,1263 5.352,1264 2.398,1265 6.905,1266 4.727,1267 8.552,1268 6.88,1269 10.25,1272 5.922,1273 13.446,1275 6.127,1289 26.096,1290 61.658,1291 122.631,1292 157.16,1293 173.525,1294 177.525,1295 177.525,1296 36.668,1297 7.469,1298 51.8,1299 80.04,1300 23,1301 12.655,1302 4.524,1303 3.585,1304 33.693,1305 75,1306 77,1307 0.224,1308 165.63,1309 273.31,1310 395.897,1311 16516,1312 5.7,1313 16.681,1314 0.695,1315 0.579,1316 16.665,1317 13.905,1318 11.648,1319 0.431,1320 0.312,1321 7.203,1322 10.621,1323 6.942,1324 5.713,1325 11.98,1326 8.422,1327 10.627,1328 0.272,1329 0.168,1330 11.063,1331 6.568,1332 9.484,1333 0.172,1334 0.093,1335 9.789,1336 5.131,1337 7.968,1338 0.106,1339 0.053,1340 9.082,1341 3.972,1342 6.678,1343 0.068,1344 0.028,1345 7.549,1346 2.726,1347 0.339,1348 79.713,1349 0.234,1350 22.913,1351 0.654,1352 132,1353 425.777,1354 177.823,1355 448.78,1356 602.73,1357 418,1358 160,1359 406.019,1360 202.382,1361 435.847,1362 641.89,1363 410,1364 7.292}
{0 CHEMBL241517,1 2.002,2 10.036,3 4.069,4 16.554,5 112.835,6 10.584,7 0.71,8 3.858,9 3.929,10 3.88,11 3.591,12 5.09,13 3.536,14 4.333,15 4.411,16 4.209,17 3.992,18 5.87,19 3.933,20 4.566,21 4.677,22 4.321,23 4.116,24 5.971,25 4.044,26 4.62,27 4.753,28 4.293,29 4.128,30 5.919,31 4.03,32 4.619,33 4.781,34 4.18,35 4.099,36 5.813,37 3.969,38 4.522,39 4.67,40 4.293,41 4.009,42 5.815,43 3.891,44 4.486,45 4.649,46 4.204,47 3.818,48 5.939,49 3.753,50 4.335,51 4.515,52 3.813,53 3.631,54 5.748,55 3.546,56 0.158,57 0.658,58 5.235,59 3.684,60 32.006,61 3.053,62 0.377,63 1.017,64 10.38,65 6.394,66 72.817,67 6.126,68 0.535,69 1.256,70 15.746,71 8.38,72 75.947,73 7.689,74 0.507,75 1.363,76 17.2,77 9.064,78 79.711,79 8.406,80 0.458,81 1.315,82 26.51,83 10.695,84 67.043,85 10.403,86 0.436,87 1.228,88 24.58,89 9.185,90 63.13,91 8.145,92 0.602,93 1.254,94 18.764,95 8.184,96 86.437,97 7.303,98 0.467,99 1.038,100 19.927,101 7.396,102 68.92,103 7.743,104 38,105 47,106 0.343,107 0.642,108 0.795,109 0.885,110 0.893,111 0.893,112 3.376,113 1.045,114 -4.72,115 -4.64,116 -4.36,118 46.3,138 7,139 5,140 3,141 1,143 1,147 1,148 1,158 2,159 2,160 2,167 10,170 1,171 2,172 3,173 3,175 1,178 16,180 1,182 6,186 3,188 13,190 3,192 8,197 5,199 12,201 5,204 7,208 5,211 9,213 5,215 2,220 3,223 9,225 3,227 2,228 5,230 1,231 1,233 4,235 8,237 4,240 2,245 2,247 6,249 2,252 2,254 2,255 2,256 1,257 1,259 2,260 5,262 1,263 1,264 1150,265 18.264,266 18.264,267 18.264,268 18.264,269 18.264,270 15.342,271 8.259,272 10.254,273 18.83,274 15.262,275 15.262,276 15.262,277 15.262,278 15.262,279 10.824,280 4.777,281 4.82,282 16.276,283 3.355,284 1.614,285 0.723,286 0.195,287 0.146,288 0.146,289 4.064,290 1,293 1,294 1,295 603,296 3.317,299 55.14,300 230.045,303 104.858,307 1.684,308 42.692,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 61.333,320 281,321 4.815,322 4.662,323 7.121,324 4.299,325 3.349,326 4.737,328 12.002,329 3.211,330 4.737,331 3.361,332 7.01,333 4.22,334 3.286,335 4.654,337 11.679,338 3.015,339 4.259,340 3.255,341 6.346,342 3.837,343 2.875,344 3.919,346 9.632,347 2.779,348 4.044,349 2.77,350 5.956,351 3.603,352 2.657,353 3.622,355 8.276,356 2.479,357 3.652,358 2.392,359 5.631,360 3.226,361 2.275,362 3.076,364 7.174,365 2.119,366 3.455,367 2.125,368 5.116,369 2.927,370 1.994,371 2.857,373 5.84,374 1.871,375 3.203,376 2.039,377 4.672,378 2.677,379 1.728,380 2.503,382 4.838,383 1.607,384 2.826,385 1.758,386 4.426,387 2.319,388 1.414,389 1.961,391 3.935,392 1.289,393 2.812,394 1.392,395 4.069,396 2.302,397 1.322,398 1.937,400 3.519,401 1.217,402 2.606,403 1.163,404 3.993,405 2.102,406 1.11,407 1.65,409 2.924,410 1.098,411 2.55,412 1.08,413 3.61,414 2.002,415 1.059,416 1.574,417 2.516,418 0.988,419 2.226,420 0.837,421 3.469,422 1.613,423 0.775,424 1.107,425 2.023,426 0.632,427 1.371,428 0.626,429 2.837,430 0.945,431 0.101,432 0.123,433 0.224,434 0.075,435 1.319,436 0.134,437 2.737,438 0.892,439 -0.029,440 -0.037,441 -0.071,442 -0.027,443 1,444 0.073,445 2.706,446 0.307,447 -0.578,448 -0.737,449 -1.551,450 -0.434,451 14.033,452 0.501,453 1.005,454 0.036,455 40.75,456 1.455,457 23.5,458 0.839,459 17.25,460 0.616,461 22.058,462 0.788,463 28.567,464 0.697,465 31.594,466 1.128,467 7.699,468 0.275,469 5.554,470 0.198,471 0.176,472 0.059,473 0.356,477 1,478 0.563,479 0.812,480 0.685,481 0.855,482 0.736,483 0.658,484 0.538,485 0.821,486 0.816,487 0.874,488 0.487,489 0.792,490 0.928,491 0.964,492 0.911,493 0.921,494 0.89,495 0.955,496 0.916,497 0.984,498 0.965,499 0.995,500 0.914,501 1.059,502 0.664,503 0.883,504 1.14,505 1.136,506 0.577,507 1.079,508 0.828,509 1.027,510 0.922,511 1,512 0.764,513 1.047,514 0.897,515 1.094,516 0.819,517 1.048,518 1.035,519 0.996,520 0.84,521 0.971,522 1.025,523 1.102,524 0.832,525 1.126,526 7,527 0.14,528 4.444,529 2.215,530 1.908,531 1.309,532 0.947,533 0.571,534 0.455,535 0.218,536 8884,537 35776,538 2.043,539 31.7,541 7,542 1,543 1,544 4,549 1.714,550 1.856,551 3.318,552 1.733,554 1,558 82.088,559 2.002,560 3.743,561 4.634,562 5.162,563 5.211,564 5.211,565 2.794,566 4.495,567 4.778,568 3.467,569 1310.39,570 8.329,571 16565.5,573 1,575 1,576 219.66,577 1.708,578 4.703,579 0.226,580 0.009,581 0.095,582 0.045,583 0.041,584 0.031,585 0.024,586 0.016,587 0.016,588 0.011,589 0.514,590 0.17,591 1,592 0.82,593 138.208,594 -0.009,595 0.121,596 0.078,597 0.054,598 -0.19,599 0.126,600 0.165,601 0.083,602 -0.058,603 0.017,604 0.239,605 0.027,606 -0.069,607 -0.023,608 -0.077,609 -0.028,610 -0.033,611 -0.068,612 -0.143,613 -0.08,614 -0.099,615 -0.054,616 -0.14,617 -0.125,618 -0.054,619 -0.072,620 -0.122,621 -0.083,623 -0.029,624 -0.085,625 -0.144,626 0.075,627 -0.009,628 -0.06,629 -0.069,630 0.107,631 -0.08,632 0.135,633 -0.077,634 -0.039,635 -0.021,636 0.09,637 -0.065,638 -0.037,639 -0.16,640 0.07,641 -0.073,642 4.75,643 5.527,644 0.75,645 24.582,646 1.031,647 1.11,648 3.494,649 12.208,650 0.77,651 3.466,652 3.871,653 4.159,654 4.443,655 4.718,656 4.86,657 5.037,658 5.193,659 5.313,660 5.38,661 6.036,662 0.738,663 433.94,664 3.466,665 5.056,666 5.932,667 6.849,668 7.747,669 8.665,670 9.573,671 10.492,672 11.405,673 12.326,674 7.3,678 2,684 1,689 2,690 9,691 1,694 1,695 8,697 22,708 1,715 2,716 41,718 24,719 2,720 31,722 44,723 19,724 19,725 5,726 7,728 4,729 5,730 1,740 19,744 2,747 1,749 2,757 1,758 1,760 13,761 6,762 4,763 9,764 3,769 3,775 0.75,776 2,787 1,793 1,794 3,797 1,819 3,821 2,824 1,825 1,827 28,828 2,831 1,845 1,849 2,850 4.9,853 2,858 15.083,859 7.319,860 5.861,861 2.126,863 4.517,864 1.576,865 1.064,866 4.777,867 12.355,868 3.807,869 4.546,870 5.171,871 5.826,872 6.437,873 6.872,874 7.4,875 7.898,876 8.329,877 8.752,878 0.857,879 49,880 10.58,881 4.973,882 8.162,883 19.073,884 16.291,885 2.662,886 74.528,889 1,890 105.94,891 152.677,892 80.974,893 39.149,894 44.313,895 14.96,896 37.085,897 115.592,898 189.402,899 95.934,902 143.979,903 72.87,904 38.535,905 29.805,906 113.675,907 39.149,908 105.94,909 196.566,910 59.273,911 76.234,913 120.9,914 44.313,917 9.047,918 170.733,919 61.742,920 31.278,921 120.9,922 125.287,923 191.825,925 5.807,926 105.94,927 63.839,928 83.03,930 179.396,931 105.94,932 140.247,933 191.825,935 0.608,936 0.354,937 0.181,938 0.103,939 25,940 12,941 0.068,942 3,943 1,944 1.095,945 3.76,946 259.044,947 0.095,948 21,949 132.606,950 1,953 1,954 19.124,955 6.995,956 3.491,957 1.528,958 140.247,959 14.252,960 4.271,963 1.43,964 2.693,966 64.189,967 438.012,968 44,971 -3.833,973 23.369,980 42.251,981 45.529,983 0.374,984 0.699,985 0.865,986 0.964,987 0.973,988 0.973,989 5.072,990 1.414,991 5.989,992 4.838,993 4.554,994 5.234,996 6.895,997 4.433,998 6.365,999 1.322,1000 7.62,1001 3.935,1002 4.443,1003 5.4,1005 8.118,1006 4.241,1007 7.746,1008 1.11,1009 9.359,1010 3.519,1011 6.29,1012 7.653,1014 11.18,1015 6.065,1016 9.168,1017 1.059,1018 11.159,1019 2.924,1020 6.948,1021 8.603,1023 13.174,1024 6.634,1025 10.621,1026 0.775,1027 12.998,1028 2.516,1029 8.351,1030 10.396,1032 15.824,1033 8.015,1034 12.097,1035 0.101,1036 14.862,1037 2.023,1038 9.32,1039 11.678,1041 18.106,1042 8.901,1043 13.589,1044 -0.029,1045 16.745,1046 0.224,1047 10.574,1048 13.308,1050 20.629,1051 10.122,1052 3.349,1053 -0.578,1054 18.641,1055 -0.071,1056 11.671,1057 14.735,1059 23.022,1060 11.146,1061 3.286,1062 12.002,1063 20.548,1064 -1.551,1065 12.876,1066 16.305,1068 25.506,1069 12.309,1070 2.875,1071 11.679,1072 22.463,1073 4.737,1074 14.026,1075 17.795,1077 27.944,1078 13.394,1079 2.657,1080 9.632,1081 24.384,1082 4.654,1083 15.217,1084 19.345,1086 30.416,1087 14.537,1088 2.275,1089 8.276,1090 26.311,1091 3.919,1092 16.39,1093 20.864,1095 32.873,1096 15.651,1097 1.994,1098 7.174,1099 28.242,1100 3.622,1101 17.58,1102 22.408,1104 35.343,1105 16.79,1106 1.728,1107 5.84,1108 30.176,1109 3.076,1110 18.764,1111 23.94,1113 37.809,1114 17.919,1115 8615,1116 17421,1117 19.997,1118 31.585,1119 48.303,1120 49.534,1121 50.065,1122 47.905,1123 47.892,1124 67.438,1126 149.164,1127 44.757,1128 5.497,1129 6.662,1130 6.663,1131 5.408,1132 5.349,1133 7.737,1135 19.59,1136 5.211,1137 16.784,1138 1.558,1139 1.598,1140 1.615,1141 1.545,1142 1.545,1143 2.175,1145 4.812,1146 1.444,1147 4.152,1148 4.154,1149 4.729,1150 4.158,1151 8.201,1152 4.113,1153 4.013,1154 3.994,1155 4.343,1156 4.014,1157 7.726,1158 3.931,1159 3.839,1160 3.852,1161 3.991,1162 3.789,1163 6.999,1164 3.768,1165 3.602,1166 3.597,1167 3.708,1168 3.54,1169 5.186,1170 3.464,1171 3.29,1172 3.336,1173 3.426,1174 3.184,1175 4.866,1176 3.163,1177 3.074,1178 3.149,1179 3.318,1180 2.943,1181 4.83,1182 2.919,1183 2.879,1184 2.922,1185 3.023,1186 2.799,1187 4.719,1188 2.77,1189 2.808,1190 2.843,1191 2.818,1192 2.707,1193 4.549,1194 2.687,1195 0.155,1196 0.15,1197 0.23,1198 0.139,1199 0.108,1200 4.815,1201 0.153,1202 4.662,1204 7.121,1205 0.387,1206 4.299,1207 0.104,1208 3.349,1209 4.737,1211 12.002,1212 3.211,1213 2.017,1214 2.015,1215 2.045,1216 2.074,1217 1.239,1218 2.094,1219 1.916,1220 1.907,1221 1.965,1222 1.979,1223 1.124,1224 1.993,1225 1.76,1226 1.76,1227 1.772,1228 1.86,1229 0.946,1230 1.871,1231 1.444,1232 1.462,1233 1.372,1234 1.617,1235 0.615,1236 1.65,1237 1.337,1238 1.341,1239 1.273,1240 1.385,1241 0.484,1242 1.433,1243 0.949,1244 0.889,1245 1.208,1246 1.245,1247 0.217,1248 1.245,1249 0.871,1250 0.831,1251 1.084,1252 1.013,1253 0.167,1254 1.058,1255 0.859,1256 0.824,1257 1.056,1258 0.979,1259 0.034,1260 1.018,1261 4.143,1263 5.525,1264 2.398,1265 7.098,1266 4.727,1267 8.754,1268 6.88,1269 10.456,1272 5.922,1273 13.527,1275 11.369,1289 30.24,1290 82.088,1291 153.479,1292 190.008,1293 211.66,1294 213.66,1295 213.66,1296 61.376,1297 7.838,1298 99.07,1299 135.69,1300 23,1301 12.835,1302 4.644,1303 3.807,1304 42.277,1305 101,1306 102,1307 0.21,1308 194.346,1309 326.7,1310 465.963,1311 26372,1312 4.9,1313 20.052,1314 0.716,1315 0.592,1316 20.285,1317 16.576,1318 13.253,1319 0.428,1320 0.348,1321 8.154,1322 11.396,1323 7.741,1324 6.362,1325 14.479,1326 10.802,1327 13.218,1328 0.281,1329 0.191,1330 15.042,1331 8.961,1332 10.774,1333 0.171,1334 0.104,1335 11.822,1336 6.543,1337 8.809,1338 0.105,1339 0.058,1340 10.443,1341 4.85,1342 7.435,1343 0.067,1344 0.031,1345 8.782,1346 3.404,1347 0.322,1348 99.037,1349 0.224,1350 26.188,1351 0.601,1352 156,1353 537.776,1354 238.977,1355 575.465,1356 759.38,1357 526,1358 188,1359 489.234,1360 272.826,1361 554.756,1362 810.71,1363 518,1364 7.678}
{0 CHEMBL241681,1 1.755,2 14.919,3 5.653,4 31.956,5 130.652,6 9.209,7 0.683,8 4.151,9 4.248,10 3.872,11 3.721,12 5.454,13 3.75,14 4.643,15 4.755,16 4.322,17 4.106,18 6.326,19 4.128,20 4.856,21 5.009,22 4.345,23 4.221,24 6.213,25 4.227,26 4.96,27 5.133,28 4.35,29 4.193,30 6.351,31 4.208,32 4.944,33 5.124,34 4.305,35 4.128,36 6.397,37 4.141,38 4.848,39 5.031,40 4.202,41 4.052,42 6.435,43 4.053,44 4.724,45 4.909,46 4.072,47 3.995,48 6.295,49 3.959,50 4.687,51 4.898,52 3.892,53 3.935,54 5.926,55 3.88,56 0.263,57 1.084,58 6.598,59 4.695,60 38.695,61 4.448,62 0.983,63 2.074,64 13.051,65 8.115,66 148.185,67 7.912,68 0.739,69 2.036,70 18.849,71 9.984,72 83.465,73 10.419,74 1.091,75 2.191,76 24.953,77 11.273,78 144.728,79 11.41,80 1.3,81 2.014,82 26.228,83 10.386,84 157.994,85 10.751,86 1.42,87 2.174,88 24.189,89 9.699,90 224.216,91 9.717,92 1.064,93 1.621,94 19.636,95 8.594,96 152.637,97 10.013,98 0.745,99 1.56,100 21.362,101 9.541,102 103.446,103 11.151,104 38,105 60,106 0.283,107 0.577,108 0.725,109 0.839,110 0.864,111 0.864,112 3.642,113 0.803,114 -5.58,115 -5.45,116 -5.08,118 49.1,130 1,138 12,139 6,140 3,141 1,143 1,147 1,148 1,154 1,158 1,159 1,160 1,167 16,171 5,172 1,173 3,174 1,175 4,178 18,180 1,182 4,186 5,188 14,190 1,191 1,192 10,194 1,195 1,197 7,199 7,201 2,204 12,208 8,211 7,213 3,215 6,220 7,223 11,225 4,228 1,231 1,233 3,235 15,237 2,240 1,243 1,244 1,245 3,246 1,247 16,249 1,251 1,255 1,257 1,260 11,264 2501,265 24.557,266 24.557,267 24.557,268 24.557,269 24.557,270 21.121,271 19.296,272 14.167,273 25.034,274 20.238,275 20.238,276 20.238,277 20.238,278 20.238,279 15.083,280 24.778,281 6.728,282 21.11,283 4.026,284 2.201,285 1.282,286 0.573,287 0.414,288 0.414,289 4.343,295 1204,296 4.062,299 88.409,300 482.276,303 165.922,307 2.362,308 63.533,311 0.5,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.61,319 84,320 552,321 4.746,322 4.461,323 7.119,324 4.306,325 3.328,326 4.724,327 3.825,328 11.975,329 3.291,330 4.483,331 3.573,332 7.012,333 4.194,334 3.313,335 3.996,336 1.656,337 11.704,338 2.934,339 4.197,340 3.324,341 6.337,342 3.828,343 2.837,344 3.809,345 0.247,346 9.588,347 2.82,348 4.076,349 3.094,350 6.055,351 3.728,352 2.79,353 3.546,355 8.726,356 2.583,357 3.963,358 2.826,359 5.754,360 3.553,361 2.582,362 3.35,364 7.733,365 2.478,366 3.694,367 2.578,368 5.441,369 3.315,370 2.341,371 3.056,373 7.141,374 2.267,375 3.44,376 2.305,377 5.085,378 2.987,379 2.016,380 2.845,382 5.688,383 1.953,384 3.416,385 2.047,386 4.82,387 2.962,388 1.978,389 2.682,391 5.438,392 1.931,393 3.148,394 2.04,395 4.592,396 2.677,397 1.695,398 2.41,400 4.627,401 1.661,402 2.911,403 1.757,404 4.53,405 2.48,406 1.573,407 2.025,409 4.45,410 1.39,411 2.81,412 1.722,413 4.133,414 2.362,415 1.387,416 1.922,417 3.628,418 1.334,419 2.729,420 1.273,421 4.068,422 2.246,423 1.25,424 1.833,425 3.175,426 1.244,427 2.551,428 1.081,429 3.672,430 2.039,431 1.061,432 1.575,433 2.702,434 1.036,435 2.5,436 1,437 3.444,438 2,439 1,440 1.5,441 2.275,442 1,443 2.5,444 1,445 3.414,446 2,447 1,448 1.5,449 2.136,450 1,451 16.91,452 0.457,453 1.141,454 0.031,455 53,456 1.432,457 29,458 0.784,459 24,460 0.649,461 27.447,462 0.742,463 38.89,464 0.707,465 47.859,466 1.293,467 10.967,468 0.296,469 6.736,470 0.182,471 0.111,472 0.03,473 0.355,476 3,477 1,478 0.636,479 0.85,480 0.607,481 0.857,482 0.613,483 0.756,484 0.478,485 0.748,486 0.656,487 0.945,488 0.431,489 0.922,490 0.738,491 0.927,492 0.852,493 1.065,494 0.667,495 1.034,496 1.051,497 1.047,498 1.036,499 1.083,500 0.994,501 1.059,502 0.928,503 0.765,504 1.004,505 0.915,506 0.831,507 0.971,508 0.883,509 0.756,510 1.052,511 0.898,512 0.796,513 0.994,514 0.43,515 0.669,516 0.919,517 0.962,518 0.445,519 1.11,520 0.722,521 0.825,522 0.994,523 1.052,524 0.744,525 1.13,526 8.5,527 0.19,528 4.889,529 2.778,530 2.401,531 1.57,532 1.046,533 0.508,534 0.349,535 0.346,536 23312,537 84294,538 2.077,539 32.7,541 12,542 1,543 1,544 4,549 1.776,550 1.922,551 3.83,552 1.498,558 96.534,559 1.755,560 3.58,561 4.499,562 5.208,563 5.368,564 5.368,565 3.264,566 4.757,567 5.183,568 4.052,569 2698.56,570 9.09,571 45507,576 317.975,577 1.599,578 5.125,579 0.207,580 0.006,581 0.081,582 0.045,583 0.04,584 0.028,585 0.021,586 0.012,587 0.009,588 0.01,589 0.459,591 0.63,592 0.707,593 206.538,594 -0.071,595 0.006,596 -0.003,597 0.063,598 -0.109,599 0.076,600 0.318,601 0.226,602 0.065,603 0.009,604 0.318,605 -0.064,606 -0.043,607 -0.1,608 -0.033,609 -0.12,610 -0.011,611 -0.089,612 -0.122,613 -0.111,614 -0.09,615 -0.115,616 -0.112,617 -0.092,618 -0.014,619 0.045,620 -0.026,621 0.024,623 -0.001,624 0.065,625 0.144,626 -0.07,627 0.057,628 0.128,629 -0.022,630 0.273,631 0.108,632 0.005,633 -0.019,634 0.262,635 -0.105,636 -0.007,637 -0.024,638 0.009,639 -0.049,640 -0.034,641 -0.029,642 5.922,643 5.93,644 0.73,645 45.097,646 1.038,647 1.137,648 4.346,649 18.885,650 0.701,651 3.738,652 4.111,653 4.382,654 4.663,655 4.92,656 5.024,657 5.159,658 5.278,659 5.384,660 5.472,661 8.854,662 0.705,663 506.49,664 3.738,665 5.313,666 6.176,667 7.077,668 7.96,669 8.865,670 9.756,671 10.662,672 11.559,673 12.468,674 7.3,678 1,681 2,684 1,689 2,690 14,691 1,693 1,695 9,697 28,708 1,715 1,716 55,718 29,719 3,720 41,722 59,723 27,724 25,725 6,726 12,728 5,729 6,731 1,732 1,737 1,740 26,741 1,744 1,749 1,753 1,758 4,759 1,760 18,761 10,762 4,763 10,769 4,775 0.8,776 2,787 1,793 1,794 4,797 1,819 4,825 4,827 37,828 1,834 2,839 1,849 4,850 3.6,853 1,855 1,858 19.25,859 9.855,860 7.861,861 3.01,863 5.357,864 1.619,865 1.048,866 6.425,867 14.014,868 4.043,869 4.707,870 5.332,871 5.977,872 6.564,873 6.919,874 7.395,875 7.866,876 8.246,877 8.649,878 0.9,879 62,880 14.285,881 6.887,882 8.304,883 24.758,884 20.475,885 2.804,886 103.75,890 164.795,891 186.837,892 85.704,894 34.652,895 59.84,897 186.837,898 199.448,899 145.545,901 36.022,902 158.352,903 53.702,904 96.57,905 38.171,906 141.253,907 7.76,908 164.795,909 272.541,910 94.493,913 179.756,914 79.533,917 52.828,918 202.927,919 16.786,921 224.636,922 120.356,923 186.837,926 172.555,927 44.575,928 134.502,929 36.022,930 144.175,931 164.795,932 180.197,933 186.837,935 0.596,936 0.343,937 0.183,938 0.104,939 30,940 14,941 0.068,942 4,943 1,944 1.074,945 4.688,946 363.042,947 0.074,948 27,949 179.995,954 24.51,955 9.699,956 5.054,957 1.221,958 180.197,959 21.177,960 4.319,962 5.86,964 1.09,966 68.919,967 531.829,968 56,973 12.29,977 -0.902,980 57.065,981 62.508,983 0.304,984 0.619,985 0.778,986 0.901,987 0.928,988 0.928,989 5.298,990 1.978,991 6.205,992 5.688,993 4.796,994 5.396,995 3.244,996 7.072,997 4.718,998 6.548,999 1.695,1000 7.806,1001 5.438,1002 4.575,1003 5.293,1004 3.949,1005 8.215,1006 4.377,1007 7.884,1008 1.573,1009 9.515,1010 4.627,1011 6.482,1012 7.667,1013 5.464,1014 11.277,1015 6.316,1016 9.257,1017 1.387,1018 11.29,1019 4.45,1020 7.057,1021 8.375,1022 6.701,1023 13.232,1024 6.775,1025 10.661,1026 1.25,1027 13.107,1028 3.628,1029 8.488,1030 10.247,1031 8.065,1032 15.874,1033 8.219,1034 12.088,1035 1.061,1036 14.953,1037 3.175,1038 9.405,1039 11.355,1040 9.391,1041 18.137,1042 9.044,1043 13.533,1044 1,1045 16.821,1046 2.702,1047 10.667,1048 13.018,1049 10.736,1050 20.653,1051 10.296,1052 3.328,1053 1,1054 18.705,1055 2.275,1056 11.735,1057 14.336,1058 12.075,1059 23.038,1060 11.295,1061 3.313,1062 11.975,1063 20.601,1064 2.136,1065 12.939,1066 15.912,1067 13.417,1068 25.516,1069 12.476,1070 2.837,1071 11.704,1072 22.507,1073 4.724,1074 14.072,1075 17.34,1076 14.758,1077 27.949,1078 13.558,1079 2.79,1080 9.588,1081 24.421,1082 3.996,1083 15.26,1084 18.884,1085 16.1,1086 30.419,1087 14.717,1088 2.582,1089 8.726,1090 26.342,1091 3.809,1092 16.424,1093 20.368,1094 17.441,1095 32.873,1096 15.841,1097 2.341,1098 7.733,1099 28.268,1100 3.546,1101 17.609,1102 21.904,1103 18.783,1104 35.341,1105 16.998,1106 2.016,1107 7.141,1108 30.198,1109 3.35,1110 18.787,1111 23.417,1112 20.124,1113 37.804,1114 18.144,1115 21875,1116 41941,1117 27.046,1118 38.534,1119 63.279,1120 63.555,1121 63.973,1122 62.582,1123 62.307,1124 84.298,1125 11.457,1126 187.116,1127 59.782,1128 5.619,1129 6.461,1130 6.921,1131 5.353,1132 5.328,1133 7.724,1134 5.335,1135 19.526,1136 5.291,1137 20.7,1138 1.543,1139 1.55,1140 1.56,1141 1.526,1142 1.52,1143 2.056,1144 0.279,1145 4.564,1146 1.458,1147 4.151,1148 4.162,1149 4.128,1150 4.063,1151 8.513,1152 4.076,1153 3.958,1154 3.986,1155 3.931,1156 3.859,1157 8.201,1158 3.868,1159 3.891,1160 3.919,1161 3.834,1162 3.837,1163 7.999,1164 3.832,1165 3.791,1166 3.821,1167 3.73,1168 3.697,1169 7.999,1170 3.702,1171 3.465,1172 3.509,1173 3.452,1174 3.206,1175 7.431,1176 3.246,1177 3.323,1178 3.369,1179 3.31,1180 3.094,1181 5.259,1182 3.131,1183 3.258,1184 3.3,1185 3.209,1186 2.962,1187 4.945,1188 3.019,1189 3.091,1190 3.163,1191 2.999,1192 2.877,1193 4.747,1194 2.907,1195 0.116,1196 0.109,1197 0.174,1198 0.105,1199 0.081,1200 4.746,1201 0.115,1202 4.461,1203 0.093,1204 7.119,1205 0.292,1206 4.306,1207 0.08,1208 3.328,1209 4.724,1210 3.825,1211 11.975,1212 3.291,1213 1.994,1214 1.976,1215 2.068,1216 2.074,1217 1.207,1218 2.071,1219 1.915,1220 1.891,1221 2.014,1222 2.028,1223 1.109,1224 2.016,1225 1.89,1226 1.868,1227 1.969,1228 1.981,1229 1.084,1230 1.982,1231 1.716,1232 1.687,1233 1.805,1234 1.846,1235 0.892,1236 1.839,1237 1.381,1238 1.359,1239 1.488,1240 1.639,1241 0.543,1242 1.585,1243 1.228,1244 1.193,1245 1.357,1246 1.513,1247 0.316,1248 1.463,1249 1.051,1250 1.018,1251 1.213,1252 1.401,1253 0.218,1254 1.303,1255 0.953,1256 0.888,1257 1.181,1258 1.245,1259 0.218,1260 1.245,1261 4.419,1263 5.778,1264 2.398,1265 7.324,1266 4.727,1267 8.956,1268 6.88,1269 10.634,1273 52.63,1275 6.167,1278 4.571,1283 -4.672,1289 38.79,1290 96.534,1291 196.897,1292 247.445,1293 286.465,1294 295.22,1295 295.22,1296 91.345,1297 8.657,1298 93.18,1299 93.18,1300 29,1301 12.986,1302 4.907,1303 4,1304 57.147,1305 203,1306 168,1307 0.138,1308 231.776,1309 408.26,1310 557.292,1311 84506,1312 7.3,1313 26.156,1314 0.707,1315 0.512,1316 22.786,1317 18.936,1318 17.703,1319 0.432,1320 0.268,1321 10.763,1322 16.874,1323 10.64,1324 8.748,1325 16.081,1326 10.968,1327 17.07,1328 0.284,1329 0.135,1330 14.594,1331 8.126,1332 13.765,1333 0.174,1334 0.072,1335 12.253,1336 5.705,1337 11.555,1338 0.11,1339 0.037,1340 10.85,1341 3.919,1342 9.647,1343 0.071,1344 0.019,1345 8.704,1346 2.641,1347 0.224,1348 112.376,1349 0.192,1350 34.123,1351 0.361,1352 202,1353 853.539,1354 235.682,1355 721.748,1356 950.91,1357 668,1358 240,1359 679.15,1360 266.706,1361 664.028,1362 993.67,1363 624,1364 7.854}
{0 CHEMBL241682,1 1.962,2 15.829,3 4.481,4 20.081,5 143.994,6 9.76,7 0.622,8 4.247,9 4.334,10 4.112,11 3.819,12 5.547,13 3.838,14 4.751,15 4.849,16 4.496,17 4.204,18 6.543,19 4.225,20 4.967,21 5.101,22 4.511,23 4.332,24 6.398,25 4.338,26 5.085,27 5.246,28 4.517,29 4.317,30 6.524,31 4.33,32 5.07,33 5.245,34 4.475,35 4.26,36 6.54,37 4.266,38 4.975,39 5.144,40 4.436,41 4.191,42 6.571,43 4.193,44 4.908,45 5.075,46 4.389,47 4.154,48 6.57,49 4.132,50 4.858,51 5.047,52 4.203,53 4.098,54 6.187,55 4.066,56 0.378,57 1.207,58 8.538,59 5.457,60 69.649,61 4.495,62 1.247,63 2.231,64 15.3,65 9.451,66 210.287,67 8.522,68 1.08,69 2.23,70 20.982,71 11.598,72 145.123,73 10.733,74 1.513,75 2.4,76 27.263,77 12.938,78 222.062,79 12.034,80 1.647,81 2.215,82 29.945,83 12.286,84 218.589,85 12.126,86 1.701,87 2.379,88 27.677,89 11.408,90 278.214,91 10.691,92 1.549,93 1.852,94 22.714,95 10.28,96 214.883,97 10.974,98 1.106,99 1.793,100 25.254,101 11.094,102 161.249,103 11.932,104 86,105 68,106 0.309,107 0.615,108 0.77,109 0.87,110 0.882,111 0.882,112 3.741,113 0.88,114 -4.01,115 -3.96,116 -3.75,118 45,130 1,138 11,139 6,140 4,141 1,143 1,147 1,148 1,154 1,158 2,159 2,160 2,167 14,170 1,171 5,172 3,173 5,174 1,175 4,178 16,180 1,182 8,186 7,188 12,190 3,191 1,192 14,194 1,195 1,197 9,199 7,201 4,204 14,208 10,211 6,213 5,215 6,220 7,223 10,225 4,227 4,228 3,230 2,231 3,233 3,235 14,237 2,240 3,243 1,244 1,245 4,246 1,247 14,249 2,251 1,252 2,254 2,255 3,256 1,257 2,259 2,260 9,262 1,263 1,264 3510,265 26.477,266 26.477,267 26.477,268 26.477,269 26.477,270 22.767,271 22.207,272 14.93,273 27.11,274 22.196,275 22.196,276 22.196,277 22.196,278 22.196,279 16.478,280 26.134,281 7.069,282 23.326,283 3.945,284 2.007,285 1.026,286 0.392,287 0.313,288 0.313,289 4.436,295 1396,296 4.796,299 98.576,300 539.978,303 184.847,307 2.622,308 85.293,311 0.5,312 0.5,313 0.67,314 0.2,316 0.5,317 0.5,318 0.41,319 94.5,320 649,321 4.815,322 4.662,323 7.121,324 4.318,325 3.348,326 4.736,327 3.825,328 11.997,329 3.294,330 4.735,331 4.461,332 7.119,333 4.224,334 3.328,335 4.653,336 1.656,337 11.704,338 3.017,339 4.483,340 3.573,341 7.009,342 4.194,343 3.284,344 3.996,345 0.247,346 11.678,347 2.934,348 4.188,349 3.323,350 6.335,351 3.811,352 2.827,353 3.798,355 9.585,356 2.789,357 4.075,358 3.094,359 6.055,360 3.726,361 2.784,362 3.535,364 8.726,365 2.578,366 3.959,367 2.819,368 5.756,369 3.546,370 2.575,371 3.35,373 7.747,374 2.472,375 3.695,376 2.573,377 5.441,378 3.31,379 2.336,380 3.06,382 7.15,383 2.262,384 3.455,385 2.303,386 5.117,387 2.987,388 2.016,389 2.859,391 5.844,392 1.954,393 3.421,394 2.047,395 4.822,396 2.965,397 1.979,398 2.69,400 5.441,401 1.935,402 3.179,403 2.038,404 4.661,405 2.701,406 1.719,407 2.439,409 4.826,410 1.684,411 2.912,412 1.76,413 4.592,414 2.48,415 1.573,416 2.026,417 4.622,418 1.392,419 2.827,420 1.749,421 4.413,422 2.368,423 1.392,424 1.956,425 3.946,426 1.34,427 2.797,428 1.39,429 4.116,430 2.302,431 1.312,432 1.906,433 3.601,434 1.295,435 2.606,436 1.161,437 4.01,438 2.106,439 1.11,440 1.649,441 2.927,442 1.104,443 2.55,444 1.076,445 3.61,446 2.038,447 1.059,448 1.573,449 2.516,450 1.035,451 18.81,452 0.459,453 1.536,454 0.037,455 58.5,456 1.427,457 32,458 0.78,459 26.5,460 0.646,461 32.63,462 0.796,463 44.19,464 0.737,465 56.785,466 1.385,467 11.802,468 0.288,469 7.506,470 0.183,471 0.156,472 0.071,473 0.346,476 3,477 1,478 0.63,479 0.894,480 0.707,481 1.009,482 0.679,483 0.755,484 0.482,485 0.757,486 0.756,487 0.959,488 0.432,489 0.899,490 0.819,491 0.947,492 0.937,493 1.065,494 0.753,495 1.064,496 1.062,497 1.034,498 0.998,499 1.018,500 0.996,501 1.081,502 0.901,503 0.768,504 0.924,505 0.878,506 0.801,507 0.973,508 0.858,509 0.809,510 0.975,511 0.97,512 0.793,513 1.024,514 0.469,515 0.631,516 0.815,517 0.832,518 0.527,519 1.024,520 0.784,521 0.861,522 0.924,523 1.034,524 0.751,525 1.102,526 11.5,527 0.264,528 6,529 3.34,530 2.81,531 2.035,532 1.296,533 0.736,534 0.652,535 0.466,536 29952,537 123074,538 2.021,539 31.7,541 11,542 1,543 1,544 6,549 1.802,550 1.836,551 3.916,552 3.001,558 117.711,559 1.962,560 3.9,561 4.881,562 5.515,563 5.594,564 5.594,565 3.382,566 4.882,567 5.329,568 4.166,569 3415.87,570 9.388,571 62281.8,576 354.413,577 1.745,578 5.249,579 0.256,580 0.007,581 0.088,582 0.048,583 0.041,584 0.032,585 0.022,586 0.013,587 0.013,588 0.011,589 0.53,590 0.17,591 0.75,592 0.823,593 236.156,594 -0.058,595 0.015,596 0.096,597 0.032,598 -0.148,599 0.104,600 0.32,601 0.236,602 0.013,603 0.023,604 0.343,605 -0.033,606 -0.097,607 -0.1,608 -0.126,609 -0.118,610 -0.049,611 -0.12,612 -0.163,613 -0.106,614 -0.126,615 -0.092,616 -0.142,617 -0.11,618 -0.039,619 0.035,620 -0.006,621 0.034,622 -0.019,623 0.026,624 0.037,625 0.09,626 -0.021,627 -0.012,628 0.068,629 -0.034,630 0.302,631 0.142,632 0.08,633 0.077,634 0.215,635 -0.039,636 -0.037,637 -0.061,638 0.029,639 -0.07,640 -0.039,641 -0.02,642 5.956,643 5.97,644 0.659,645 56.196,646 1.048,647 1.139,648 2.776,649 7.707,650 0.702,651 3.829,652 4.234,653 4.477,654 4.745,655 5.011,656 5.136,657 5.288,658 5.412,659 5.561,660 5.666,661 9.542,662 0.707,663 585.58,664 3.829,665 5.425,666 6.286,667 7.198,668 8.081,669 8.991,670 9.883,671 10.794,672 11.691,673 12.602,674 8.3,678 2,681 2,684 1,689 2,690 13,691 1,693 1,695 10,697 28,708 1,715 1,716 60,718 31,719 3,720 45,722 64,723 27,724 25,725 7,726 11,728 5,729 6,731 1,732 1,737 1,740 26,741 1,744 3,747 1,749 3,753 1,758 4,759 1,760 19,761 13,762 6,763 14,764 1,769 5,775 0.8,776 4,787 1,793 1,794 4,797 1,819 4,821 1,825 4,827 41,828 2,831 1,834 2,839 1,849 4,850 6.7,853 3,855 1,858 22.333,859 10.605,860 8.528,861 3.107,863 5.678,864 1.632,865 1.045,866 7.322,867 14.666,868 4.143,869 4.842,870 5.422,871 6.054,872 6.648,873 7.031,874 7.523,875 7.985,876 8.414,877 8.848,878 1,879 70,880 16.089,881 8.062,882 8.484,883 27.126,884 22.691,885 2.984,886 122.333,890 153.024,891 184.719,892 116.996,894 78.965,895 59.84,896 5.807,897 178.911,898 231.99,899 176.836,901 36.022,902 185.974,903 98.015,904 98.121,905 38.171,906 129.482,907 7.76,908 153.024,909 295.907,910 138.806,911 5.807,913 167.984,914 123.846,917 52.828,918 226.293,919 22.593,921 212.865,922 195.961,923 184.719,925 5.807,926 160.784,927 46.126,928 125.026,929 36.022,930 219.78,931 153.024,932 255.801,933 184.719,935 0.608,936 0.342,937 0.174,938 0.1,939 34,940 17,941 0.078,942 5,943 1,944 1.074,945 4.885,946 419.14,947 0.074,948 27,949 208.905,953 1,954 28.275,955 10.617,956 5.943,957 0.811,958 255.801,959 16.809,960 4.23,962 5.805,964 -0.323,966 100.21,967 593.544,968 62,971 -3.947,973 35.94,977 -0.954,980 62.898,981 68.345,983 0.332,984 0.66,985 0.826,986 0.934,987 0.947,988 0.947,989 5.421,990 2.016,991 6.351,992 7.15,993 4.92,994 5.531,995 3.244,996 7.246,997 4.828,998 6.703,999 1.979,1000 7.978,1001 5.844,1002 4.844,1003 5.651,1004 3.949,1005 8.505,1006 4.629,1007 8.073,1008 1.719,1009 9.714,1010 5.441,1011 6.666,1012 7.884,1013 5.464,1014 11.524,1015 6.463,1016 9.48,1017 1.573,1018 11.514,1019 4.826,1020 7.34,1021 8.775,1022 6.701,1023 13.542,1024 7.011,1025 10.917,1026 1.392,1027 13.355,1028 4.622,1029 8.734,1030 10.563,1031 8.065,1032 16.171,1033 8.4,1034 12.377,1035 1.312,1036 15.223,1037 3.946,1038 9.71,1039 11.798,1040 9.391,1041 18.465,1042 9.271,1043 13.854,1044 1.11,1045 17.11,1046 3.601,1047 10.962,1048 13.423,1049 10.736,1050 20.979,1051 10.497,1052 3.348,1053 1.059,1054 19.012,1055 2.927,1056 12.062,1057 14.818,1058 12.075,1059 23.376,1060 11.515,1061 3.328,1062 11.997,1063 20.925,1064 2.516,1065 13.267,1066 16.382,1067 13.417,1068 25.854,1069 12.682,1070 3.284,1071 11.704,1072 22.845,1073 4.736,1074 14.42,1075 17.853,1076 14.758,1077 28.293,1078 13.769,1079 2.827,1080 11.678,1081 24.773,1082 4.653,1083 15.612,1084 19.397,1085 16.1,1086 30.761,1087 14.919,1088 2.784,1089 9.585,1090 26.706,1091 3.996,1092 16.787,1093 20.904,1094 17.441,1095 33.216,1096 16.04,1097 2.575,1098 8.726,1099 28.642,1100 3.798,1101 17.978,1102 22.443,1103 18.783,1104 35.683,1105 17.189,1106 2.336,1107 7.747,1108 30.583,1109 3.535,1110 19.164,1111 23.968,1112 20.124,1113 38.145,1114 18.329,1115 28497,1116 58043,1117 28.838,1118 42.097,1119 70.184,1120 71.172,1121 71.365,1122 69.57,1123 69.292,1124 94.209,1125 11.457,1126 214.364,1127 66.108,1128 5.689,1129 6.662,1130 6.663,1131 5.365,1132 5.348,1133 7.736,1134 5.335,1135 19.578,1136 5.294,1137 27.38,1138 1.56,1139 1.582,1140 1.586,1141 1.546,1142 1.54,1143 2.094,1144 0.255,1145 4.764,1146 1.469,1147 4.167,1148 4.173,1149 4.729,1150 4.108,1151 8.513,1152 4.091,1153 4.018,1154 4,1155 4.12,1156 3.981,1157 8.201,1158 3.925,1159 3.957,1160 3.983,1161 3.931,1162 3.857,1163 7.999,1164 3.867,1165 3.846,1166 3.869,1167 3.814,1168 3.766,1169 7.999,1170 3.757,1171 3.609,1172 3.604,1173 3.655,1174 3.525,1175 7.726,1176 3.463,1177 3.461,1178 3.504,1179 3.45,1180 3.195,1181 7.431,1182 3.237,1183 3.319,1184 3.367,1185 3.307,1186 3.086,1187 6.999,1188 3.12,1189 3.257,1190 3.3,1191 3.207,1192 2.96,1193 5.258,1194 3.017,1195 0.107,1196 0.104,1197 0.158,1198 0.096,1199 0.074,1200 4.815,1201 0.105,1202 4.662,1203 0.085,1204 7.121,1205 0.267,1206 4.318,1207 0.073,1208 3.348,1209 4.736,1210 3.825,1211 11.997,1212 3.294,1213 2.017,1214 2.013,1215 2.058,1216 2.086,1217 1.233,1218 2.098,1219 1.932,1220 1.916,1221 2.006,1222 2.032,1223 1.139,1224 2.027,1225 1.893,1226 1.871,1227 1.968,1228 1.988,1229 1.085,1230 1.989,1231 1.762,1232 1.757,1233 1.795,1234 1.891,1235 0.933,1236 1.893,1237 1.452,1238 1.467,1239 1.487,1240 1.651,1241 0.586,1242 1.656,1243 1.355,1244 1.339,1245 1.357,1246 1.604,1247 0.455,1248 1.577,1249 1.225,1250 1.191,1251 1.275,1252 1.507,1253 0.315,1254 1.459,1255 1.051,1256 1.018,1257 1.211,1258 1.401,1259 0.218,1260 1.302,1261 4.511,1263 5.894,1264 2.398,1265 7.455,1266 4.727,1267 9.095,1268 6.88,1269 10.779,1273 52.766,1275 11.405,1278 4.497,1283 -4.706,1289 42.428,1290 117.711,1291 233.989,1292 292.85,1293 330.904,1294 335.659,1295 335.659,1296 125.407,1297 8.987,1298 153.34,1299 161.72,1300 29,1301 13.119,1302 5,1303 4.17,1304 66.782,1305 238,1306 201,1307 0.136,1308 257.693,1309 455.35,1310 620.532,1311 126762,1312 6.7,1313 29.526,1314 0.72,1315 0.524,1316 26.406,1317 21.477,1318 19.308,1319 0.429,1320 0.293,1321 11.547,1322 17.574,1323 11.284,1324 9.263,1325 18.58,1326 13.198,1327 19.661,1328 0.289,1329 0.153,1330 18.573,1331 10.394,1332 15.054,1333 0.173,1334 0.081,1335 14.286,1336 7.005,1337 12.396,1338 0.109,1339 0.041,1340 12.211,1341 4.701,1342 10.404,1343 0.07,1344 0.022,1345 9.944,1346 3.236,1347 0.22,1348 132.2,1349 0.186,1350 37.034,1351 0.355,1352 226,1353 985.182,1354 298.223,1355 865.673,1356 1128.96,1357 792,1358 268,1359 776.478,1360 338.65,1361 796.578,1362 1181.05,1363 744,1364 9.398}
{0 CHEMBL245636,1 1.795,2 10.167,3 5.65,4 31.924,5 123.471,6 9.612,7 0.667,8 3.996,9 4.073,10 3.813,11 3.636,12 5.193,13 3.604,14 4.483,15 4.6,16 4.208,17 4.027,18 5.615,19 3.982,20 4.601,21 4.685,22 4.488,23 4.208,24 5.835,25 4.149,26 4.756,27 4.861,28 4.474,29 4.284,30 5.942,31 4.205,32 4.905,33 5.055,34 4.421,35 4.308,36 5.982,37 4.192,38 4.828,39 4.984,40 4.414,41 4.2,42 5.967,43 4.097,44 4.799,45 5.016,46 4.197,47 4.068,48 5.867,49 3.955,50 4.671,51 4.883,52 3.94,53 3.953,54 5.71,55 3.81,56 0.102,57 0.615,58 6.072,59 4.174,60 9.56,61 4.478,62 0.396,63 0.976,64 17.226,65 7.746,66 27.604,67 7.731,68 0.478,69 1.086,70 19.329,71 8.285,72 27.844,73 8.757,74 0.408,75 1.319,76 22.323,77 10.194,78 27.183,79 10.821,80 0.674,81 1.509,82 38.773,83 13.482,84 46.623,85 12.951,86 0.633,87 1.392,88 30.74,89 11.529,90 45.378,91 12.083,92 0.542,93 1.364,94 33.434,95 11.816,96 49.755,97 14.135,98 0.532,99 1.225,100 35.113,101 11.247,102 45.664,103 12.532,104 46,105 48,106 0.301,107 0.63,108 0.736,109 0.787,110 0.796,111 0.825,112 3.441,113 0.958,114 -4.81,115 -4.72,116 -4.43,118 45.8,123 3,138 5,139 5,140 5,141 1,143 1,147 1,148 1,158 1,159 1,160 1,167 8,171 4,172 1,173 1,175 1,178 13,180 1,181 2,182 6,186 1,188 13,190 1,191 1,192 9,197 3,199 13,201 3,204 2,208 2,211 8,213 2,214 2,215 6,220 4,223 7,225 4,227 1,228 6,233 2,235 6,237 2,240 3,242 2,243 2,247 6,252 3,254 1,255 1,260 4,264 1348,265 20.455,266 20.455,267 20.455,268 20.455,269 20.455,270 17.806,271 15.481,272 11.569,273 21.415,274 16.025,275 16.025,276 16.025,277 16.025,278 16.025,279 11.874,280 14.735,281 5.116,282 17.429,283 3.79,284 1.834,285 1.201,286 0.902,287 0.844,288 0.672,289 4.133,290 2,294 1,295 650,296 3,299 59.72,300 250.388,303 113.958,307 1.578,308 28.306,311 1,312 0.83,313 1,314 0.6,315 0.5,316 1,317 1,318 0.85,319 64.667,320 305,321 4.766,322 3.468,323 7.049,324 4.307,325 3.343,326 4.737,327 0.86,328 12.108,329 3.22,330 4.45,331 3.382,332 6.595,333 4.042,334 3.089,335 4.146,336 0.86,337 10.49,338 2.948,339 4.297,340 3.212,341 6.462,342 3.834,343 2.911,344 3.975,345 0.86,346 9.923,347 2.677,348 3.887,349 2.682,350 6.089,351 3.488,352 2.536,353 3.357,355 8.591,356 2.377,357 3.503,358 2.555,359 5.426,360 3.054,361 2.137,362 2.871,364 6.49,365 1.901,366 3.355,367 2.38,368 5.19,369 2.972,370 2.061,371 2.609,373 6.118,374 1.867,375 3.295,376 2.069,377 5.072,378 2.775,379 1.877,380 2.604,382 5.619,383 1.662,384 2.952,385 2.007,386 4.575,387 2.45,388 1.505,389 2.153,391 4.324,392 1.396,393 2.865,394 1.808,395 4.179,396 2.358,397 1.414,398 2.027,400 3.22,401 1.283,402 2.563,403 1.515,404 3.844,405 2.028,406 1.138,407 1.592,409 3.034,410 0.987,411 2.285,412 1.219,413 3.753,414 1.926,415 1.066,416 1.225,417 2.356,418 0.904,419 2.132,420 0.988,421 3.551,422 1.617,423 0.797,424 1.069,425 1.957,426 0.633,427 1.576,428 0.916,429 2.859,430 1.27,431 0.396,432 0.452,433 0.603,434 0.342,435 1.429,436 0.893,437 2.827,438 1.167,439 0.325,440 0.348,441 0.425,442 0.271,443 1.346,444 0.655,445 2.776,446 0.91,447 0.12,448 0.14,449 0.271,450 0.069,451 15.062,452 0.502,453 0.764,454 0.025,455 41.25,456 1.375,457 22,458 0.733,459 19.25,460 0.642,461 26.992,462 0.9,463 31.138,464 0.649,465 32.239,466 1.075,467 8.232,468 0.274,469 6.262,470 0.209,471 0.221,473 0.398,478 0.833,479 1.03,480 0.571,481 0.803,482 0.878,483 0.767,484 1.238,485 0.654,486 0.684,487 0.565,488 0.913,489 0.538,490 0.792,491 0.981,492 0.736,493 0.793,494 0.744,495 0.8,496 0.894,497 1.285,498 0.974,499 1.141,500 0.886,501 1.063,502 1.328,503 1.055,504 1.121,505 1.067,506 1.15,507 1.034,508 0.927,509 1.181,510 0.825,511 1.063,512 0.93,513 1.088,514 0.681,515 1.019,516 0.747,517 0.935,518 0.78,519 0.916,520 0.855,521 0.947,522 1.149,523 1.116,524 0.875,525 1.022,526 5.5,527 0.186,528 4.444,529 2.715,530 2.387,531 1.501,532 0.828,533 0.598,534 0.455,535 0.253,536 10262,537 35438,538 2.048,539 37.5,541 14,542 1,543 1,544 2,549 1.734,550 1.875,551 3.33,552 0.243,558 86.157,559 1.795,560 3.75,561 4.384,562 4.683,563 4.741,564 4.913,565 2.737,566 4.348,567 4.879,568 3.472,569 1510.25,570 8.541,571 19977.9,576 268.078,577 1.522,578 4.816,579 0.167,580 0.009,581 0.093,582 0.048,583 0.043,584 0.03,585 0.018,586 0.015,587 0.014,588 0.01,589 0.447,590 0.17,591 0.88,592 0.96,593 150.903,594 -0.075,595 0.004,596 0.018,597 0.021,598 -0.157,599 0.033,600 -0.186,601 0.354,602 0.076,603 0.365,604 -0.079,605 0.341,606 0.14,607 0.023,608 0.11,609 0.103,610 0.112,611 0.041,612 -0.014,613 -0.263,614 -0.082,615 -0.17,616 -0.029,617 -0.179,618 -0.257,619 -0.029,620 -0.131,621 0.002,622 -0.215,623 -0.077,624 0.039,625 -0.16,626 0.055,627 -0.096,628 0.008,629 -0.147,630 0.132,631 -0.024,632 0.163,633 0.034,634 0.164,635 0.126,636 -0.004,637 0.086,638 -0.092,639 -0.034,640 0.059,641 0.036,642 1.242,643 2.36,644 0.7,645 26.867,646 1.018,647 1.108,648 3.581,649 12.826,650 0.741,651 3.526,652 3.892,653 4.263,654 4.575,655 4.82,656 4.97,657 5.142,658 5.308,659 5.438,660 5.533,661 6.132,662 0.704,663 461.39,664 3.526,665 5.094,666 5.989,667 6.903,668 7.816,669 8.736,670 9.655,671 10.578,672 11.5,673 12.426,674 4.2,678 1,684 1,689 2,690 7,691 1,694 1,695 10,697 22,708 1,714 3,715 2,716 48,718 22,719 2,720 33,722 51,723 22,724 19,725 7,726 5,728 4,729 5,730 2,740 19,741 3,760 18,761 5,762 2,763 8,764 3,769 2,775 0.75,776 3,787 1,793 1,794 3,797 1,819 3,821 1,823 3,824 2,827 30,828 1,835 3,845 1,849 2,850 6.3,855 3,858 16,859 9.819,860 6.778,861 2.508,863 4.394,864 1.55,865 1.002,866 6.181,867 12.381,868 3.807,869 4.503,870 5.213,871 5.882,872 6.476,873 6.92,874 7.43,875 7.943,876 8.373,877 8.805,878 0.857,879 56,880 11.001,881 4.657,882 7.752,883 20.772,884 16.859,885 2.252,886 67.556,890 188.338,891 169.125,892 49.683,893 78.297,894 33,896 31.278,897 137.847,898 299.635,899 49.683,900 32.649,902 87.927,903 28.557,904 80.094,905 14.845,906 196.073,907 78.297,908 188.338,909 187.53,910 33,911 109.575,913 188.338,914 33,917 9.047,918 161.697,919 95.083,920 31.278,921 188.338,922 82.682,923 247.422,926 188.338,927 72.398,928 96.727,930 160.98,931 188.338,932 82.682,933 247.422,935 0.584,936 0.379,937 0.215,938 0.114,939 24,940 12,941 0.098,942 5,943 1,944 1.095,945 3.863,946 286.936,947 0.095,948 21,949 139.207,950 1,954 21.34,955 8.689,956 3.688,957 1.804,958 82.682,959 13.075,960 4.443,963 1.561,964 6.512,966 32.897,967 518.442,968 44,980 48.862,981 53.17,983 0.321,984 0.672,985 0.785,986 0.839,987 0.849,988 0.88,989 5.059,990 1.505,991 6.004,992 5.619,993 4.575,994 5.19,995 1.693,996 6.905,997 4.424,998 6.312,999 1.414,1000 7.624,1001 4.324,1002 4.29,1003 5.173,1005 7.991,1006 4.082,1007 7.662,1008 1.138,1009 9.345,1010 3.22,1011 6.256,1012 7.535,1013 1.454,1014 11.14,1015 6.018,1016 9.054,1017 1.066,1018 11.124,1019 3.034,1020 6.804,1021 8.354,1023 13.033,1024 6.506,1025 10.479,1026 0.797,1027 12.938,1028 2.356,1029 8.247,1030 10.195,1031 1.232,1032 15.716,1033 7.933,1034 11.926,1035 0.396,1036 14.777,1037 1.957,1038 9.152,1039 11.391,1041 17.932,1042 8.783,1043 13.391,1044 0.325,1045 16.633,1046 0.603,1047 10.413,1048 13.035,1049 1.028,1050 20.464,1051 10.023,1052 3.343,1053 0.12,1054 18.502,1055 0.425,1056 11.471,1057 14.407,1059 22.818,1060 11.034,1061 3.089,1062 12.108,1063 20.382,1064 0.271,1065 12.669,1066 15.975,1067 0.845,1068 25.3,1069 12.206,1070 2.911,1071 10.49,1072 22.269,1073 4.737,1074 13.793,1075 17.431,1077 27.717,1078 13.289,1079 2.536,1080 9.923,1081 24.163,1082 4.146,1083 14.973,1084 18.973,1085 0.684,1086 30.186,1087 14.438,1088 2.137,1089 8.591,1090 26.063,1091 3.975,1092 16.126,1093 20.469,1095 32.633,1096 15.555,1097 2.061,1098 6.49,1099 27.967,1100 3.357,1101 17.303,1102 22.004,1103 0.546,1104 35.103,1105 16.699,1106 1.877,1107 6.118,1108 29.876,1109 2.871,1110 18.471,1111 23.522,1113 37.566,1114 17.833,1115 10022,1116 18764,1117 21.501,1118 35.591,1119 49.402,1120 51.609,1121 53.752,1122 49.393,1123 49.431,1124 66.612,1125 5.16,1126 151.057,1127 45.075,1128 5.445,1129 5.468,1130 6.592,1131 5.417,1132 5.343,1133 7.737,1134 1.72,1135 19.808,1136 5.22,1137 17.502,1138 1.497,1139 1.564,1140 1.629,1141 1.497,1142 1.498,1143 2.019,1144 0.156,1145 4.577,1146 1.366,1147 4.136,1148 4.142,1149 4.355,1150 4.142,1151 5.194,1152 4.105,1153 3.911,1154 3.917,1155 4.082,1156 3.852,1157 5.03,1158 3.851,1159 3.8,1160 3.812,1161 3.879,1162 3.748,1163 4.968,1164 3.732,1165 3.319,1166 3.355,1167 3.454,1168 3.216,1169 4.637,1170 3.201,1171 3.303,1172 3.355,1173 3.407,1174 3.012,1175 4.58,1176 3.026,1177 3.238,1178 3.307,1179 3.267,1180 3.006,1181 4.487,1182 3.011,1183 3.192,1184 3.273,1185 3.144,1186 2.9,1187 4.457,1188 2.897,1189 2.985,1190 3.076,1191 3.132,1192 2.839,1193 4.324,1194 2.806,1195 0.144,1196 0.105,1197 0.214,1198 0.131,1199 0.101,1200 4.766,1201 0.144,1202 3.468,1203 0.026,1204 7.049,1205 0.367,1206 4.307,1207 0.098,1208 3.343,1209 4.737,1210 0.86,1211 12.108,1212 3.22,1213 1.988,1214 1.977,1215 2.025,1216 2.062,1217 1.216,1218 2.055,1219 1.894,1220 1.885,1221 1.946,1222 1.958,1223 1.107,1224 1.963,1225 1.71,1226 1.697,1227 1.77,1228 1.84,1229 0.899,1230 1.829,1231 1.369,1232 1.367,1233 1.59,1234 1.558,1235 0.625,1236 1.565,1237 1.227,1238 1.163,1239 1.571,1240 1.516,1241 0.584,1242 1.534,1243 1.183,1244 1.114,1245 1.536,1246 1.472,1247 0.571,1248 1.501,1249 1.145,1250 1.062,1251 1.362,1252 1.346,1253 0.547,1254 1.404,1255 0.899,1256 0.837,1257 1.186,1258 1.221,1259 0.141,1260 1.227,1261 4.205,1263 5.557,1264 2.398,1265 7.125,1266 4.727,1267 8.794,1268 6.88,1269 10.514,1271 4.744,1272 12.7,1275 6.282,1279 16.434,1289 33.771,1290 86.157,1291 180.023,1292 210.429,1293 224.794,1294 227.549,1295 235.814,1296 50.677,1297 7.988,1298 66.6,1299 94.84,1300 23,1301 12.932,1302 4.524,1303 3.585,1304 46.784,1305 111,1306 104,1307 0.213,1308 216.328,1309 367.02,1310 519.601,1311 31144,1312 4.2,1313 21.413,1314 0.714,1315 0.626,1316 22.767,1317 18.783,1318 14.494,1319 0.439,1320 0.319,1321 8.888,1322 12.934,1323 8.426,1324 7.006,1325 15.525,1326 10.537,1327 12.772,1328 0.266,1329 0.169,1330 14.001,1331 8.091,1332 11.852,1333 0.169,1334 0.095,1335 13.545,1336 6.674,1337 10.168,1338 0.106,1339 0.051,1340 11.642,1341 4.933,1342 8.221,1343 0.067,1344 0.028,1345 9.538,1346 3.42,1347 0.325,1348 101.945,1349 0.216,1350 27.595,1351 0.614,1352 162,1353 513.431,1354 226.76,1355 570.352,1356 764.34,1357 534,1358 199,1359 500.072,1360 262.249,1361 547.107,1362 808.13,1363 509,1364 6.638}
{0 CHEMBL247696,1 1.844,2 7.957,3 3.551,4 12.612,5 96.348,6 10.403,7 0.64,8 3.766,9 3.847,10 3.658,11 3.369,12 4.955,13 3.334,14 4.25,15 4.378,16 4.065,17 3.745,18 5.357,19 3.696,20 4.301,21 4.377,22 4.412,23 3.912,24 5.504,25 3.838,26 4.47,27 4.58,28 4.331,29 3.934,30 5.666,31 3.868,32 4.629,33 4.797,34 4.029,35 3.925,36 5.637,37 3.8,38 4.488,39 4.658,40 3.987,41 3.772,42 5.527,43 3.655,44 4.447,45 4.685,46 3.908,47 3.644,48 5.408,49 3.499,50 4.272,51 4.502,52 3.877,53 3.443,54 5.292,55 3.28,56 0.089,57 0.515,58 3.816,59 3.554,60 8.448,61 3.686,62 0.372,63 0.797,64 15.114,65 6.56,66 23.923,67 6.239,68 0.374,69 0.858,70 22.166,71 7.211,72 16.281,73 6.66,74 0.347,75 1.037,76 13.978,77 7.538,78 21.234,79 7.975,80 0.574,81 1.123,82 33.096,83 10.593,84 36.797,85 10.172,86 0.47,87 0.965,88 21.487,89 8.673,90 29.303,91 9.215,92 0.378,93 0.937,94 32.558,95 9.23,96 29.675,97 10.63,98 0.483,99 0.829,100 31.191,101 8.256,102 33.568,103 8.408,104 35,105 36,106 0.33,107 0.672,108 0.723,109 0.736,110 0.749,111 0.788,112 3.19,113 1.007,114 -3.59,115 -3.56,116 -3.4,117 1,118 42.1,123 3,138 2,139 3,140 4,141 1,143 1,147 1,148 1,158 1,159 1,160 1,167 3,171 4,172 1,173 1,175 1,178 7,180 1,181 2,182 5,188 3,191 1,192 9,197 3,199 5,201 3,204 1,208 1,211 1,213 1,214 2,215 4,220 2,223 2,225 2,227 1,228 2,240 2,242 2,243 2,252 1,254 1,255 1,264 656,265 15.679,266 15.679,267 15.679,268 15.679,269 15.679,270 13.771,271 14.958,272 8.862,273 16.58,274 12.097,275 12.097,276 12.097,277 12.097,278 12.097,279 9.023,280 15.804,281 3.855,282 13.344,283 3.404,284 1.495,285 1.212,286 1.139,287 1.067,288 0.849,289 3.865,293 1,294 1,295 384,296 2.739,299 45.716,300 125.882,303 86.418,307 1.1,308 19.628,311 1,312 1,313 1,314 0.6,315 0.5,316 1,317 1,318 0.87,319 49.75,320 183,321 4.715,322 3.412,323 6.933,324 4.23,325 3.28,326 4.691,327 0.86,328 11.649,329 3.117,330 4.416,331 3.325,332 6.538,333 3.982,334 3.043,335 4.115,336 0.86,337 10.3,338 2.844,339 3.904,340 2.748,341 6.135,342 3.516,343 2.56,344 3.371,345 0.86,346 8.8,347 2.427,348 3.44,349 2.555,350 5.19,351 2.972,352 2.061,353 2.817,355 6.118,356 1.867,357 3.355,358 2.311,359 5.078,360 2.911,361 2.039,362 2.604,364 5.62,365 1.741,366 3.16,367 2.036,368 4.897,369 2.645,370 1.739,371 2.429,373 5.278,374 1.534,375 2.675,376 1.828,377 4.211,378 2.14,379 1.257,380 1.751,382 3.386,383 1.037,384 2.323,385 1.332,386 3.758,387 1.927,388 1.084,389 1.262,391 2.357,392 0.904,393 2.14,394 0.988,395 3.55,396 1.629,397 0.83,398 1.095,400 1.981,401 0.633,402 1.576,403 0.916,404 2.859,405 1.27,406 0.396,407 0.452,409 0.603,410 0.342,411 1.429,412 0.882,413 2.826,414 1.167,415 0.325,416 0.348,417 0.425,418 0.271,419 1.283,420 0.219,421 2.494,422 0.903,423 -0.02,424 -0.025,425 -0.044,426 -0.018,427 0.805,428 0.108,429 2.42,430 0.393,431 -0.473,432 -0.557,433 -0.916,434 -0.255,435 0.745,436 -0.117,437 2.294,438 0.24,439 -0.578,440 -0.714,441 -1.356,442 -0.471,443 0.65,444 -0.339,445 2.246,446 0.167,447 -0.694,448 -0.878,449 -1.641,450 -0.637,451 11.967,452 0.52,453 0.572,454 0.025,455 30.75,456 1.337,457 16,458 0.696,459 14.75,460 0.641,461 20.184,462 0.878,463 24.033,464 0.632,465 20.405,466 0.887,467 5.985,468 0.26,469 5.115,470 0.222,471 0.27,473 0.376,478 0.932,479 1.086,480 0.507,481 0.789,482 1.041,483 0.792,484 1.419,485 0.589,486 0.615,487 0.521,488 1.057,489 0.478,490 0.854,491 1.039,492 0.903,493 0.821,494 0.815,495 0.836,496 0.827,497 1.393,498 0.697,499 1.115,500 0.81,501 1.094,502 1.476,503 0.958,504 0.96,505 1.014,506 1.252,507 1.081,508 1.038,509 1.095,510 0.741,511 0.992,512 0.964,513 1.138,514 0.72,515 0.967,516 0.874,517 0.904,518 0.798,519 0.893,520 0.76,521 0.961,522 0.896,523 1.177,524 0.726,525 0.983,526 4.5,528 3.333,529 2.25,530 1.689,531 1.077,532 0.486,533 0.449,534 0.356,535 0.08,536 4684,537 16401,538 2.016,539 39.5,541 11,542 1,543 1,544 2,549 1.664,550 1.84,551 3.003,552 0.364,554 1,558 70.063,559 1.844,560 3.753,561 4.036,562 4.109,563 4.181,564 4.399,565 2.414,566 3.936,567 4.498,568 3.112,569 787.358,570 7.781,571 8636.69,573 1,575 1,576 199.421,577 1.538,578 4.428,579 0.18,581 0.093,582 0.055,583 0.042,584 0.035,585 0.018,586 0.019,587 0.02,588 0.009,589 0.47,590 0.33,591 1,592 1.059,593 104.691,594 -0.097,595 -0.029,596 0.003,597 0.007,598 -0.181,599 0.023,600 -0.237,601 0.42,602 0.045,603 0.384,604 -0.088,605 0.409,606 0.125,607 0.004,608 0.073,609 0.124,610 0.046,611 0.017,612 0.092,613 -0.364,614 0.015,615 -0.228,616 0.1,617 -0.225,618 -0.317,619 -0.003,620 -0.126,621 -0.048,622 -0.284,623 -0.129,624 -0.001,625 -0.175,626 -0.017,627 -0.118,628 -0.059,629 -0.192,630 0.131,631 -0.055,632 0.065,633 0.052,634 0.142,635 0.164,636 0.191,637 0.064,638 0.073,639 -0.07,640 0.291,641 0.077,642 1.163,643 2.002,644 0.652,645 15.588,646 1.018,647 1.113,648 2.363,649 5.582,650 0.729,651 3.258,652 3.611,653 3.97,654 4.277,655 4.466,656 4.575,657 4.7,658 4.804,659 4.828,660 4.771,661 4.943,662 0.687,663 395.3,664 3.258,665 4.812,666 5.7,667 6.611,668 7.516,669 8.431,670 9.341,671 10.258,672 11.17,673 12.088,674 5.3,678 1,684 1,689 2,690 4,691 1,694 1,695 7,697 16,708 1,714 3,715 1,716 38,718 16,719 1,720 25,721 1,722 40,723 16,724 13,725 4,726 2,728 3,729 4,740 13,741 3,757 1,760 15,761 5,762 2,763 7,764 2,769 2,775 0.667,776 3,787 1,793 1,794 2,797 1,819 2,821 1,822 1,823 3,827 23,828 1,835 3,845 1,849 1,850 7.9,855 3,858 12.5,859 7.926,860 5.278,861 1.895,863 3.187,864 1.453,865 0.988,866 4.869,867 10.22,868 3.526,869 4.216,870 4.926,871 5.589,872 6.128,873 6.537,874 6.995,875 7.433,876 7.729,877 8.019,878 1,879 41,880 8.419,881 3.479,882 7.721,883 15.944,884 12.667,885 2.221,886 51.083,890 153.024,891 130.379,892 95.637,894 33,896 31.278,897 145.055,898 186.024,899 49.683,900 32.649,902 59.499,903 28.557,904 69.777,905 14.845,906 160.76,907 45.954,908 153.024,909 148.784,910 33,911 31.278,912 45.954,913 153.024,914 33,917 9.047,918 122.951,919 16.786,920 77.232,921 153.024,922 82.682,923 176.333,926 153.024,927 62.081,928 68.298,929 45.954,930 82.682,931 153.024,932 82.682,933 176.333,935 0.579,936 0.378,937 0.219,938 0.112,939 18,940 9,941 0.1,942 4,943 1,944 1.133,945 3.297,946 192.689,947 0.133,948 15,949 96.042,950 1,954 16.643,955 6.729,956 2.846,957 1.972,958 82.682,959 7.578,960 4.312,963 1.607,964 5.09,966 32.897,967 412.04,968 33,980 38.676,981 42.293,983 0.351,984 0.715,985 0.769,986 0.783,987 0.797,988 0.838,989 4.771,990 1.084,991 5.714,992 3.386,993 4.29,994 4.902,995 1.693,996 6.608,997 4.118,998 6.021,999 0.83,1000 7.33,1001 2.357,1002 4.007,1003 4.913,1005 7.689,1006 3.79,1007 7.371,1008 0.396,1009 9.046,1010 1.981,1011 5.964,1012 7.259,1013 1.454,1014 10.823,1015 5.693,1016 8.765,1017 0.325,1018 10.819,1019 0.603,1020 6.509,1021 8.107,1023 12.708,1024 6.187,1025 10.191,1026 -0.02,1027 12.629,1028 0.425,1029 7.947,1030 9.939,1031 1.232,1032 15.371,1033 7.586,1034 11.64,1035 -0.473,1036 14.462,1037 -0.044,1038 8.85,1039 11.159,1041 17.575,1042 8.43,1043 13.107,1044 -0.578,1045 16.313,1046 -0.916,1047 10.105,1048 12.8,1049 1.028,1050 20.083,1051 9.647,1052 3.28,1053 -0.694,1054 18.177,1055 -1.356,1056 11.16,1057 14.19,1059 22.418,1060 10.642,1061 3.043,1062 11.649,1063 20.052,1064 -1.641,1065 12.352,1066 15.758,1067 0.845,1068 24.873,1069 11.791,1070 2.56,1071 10.3,1072 21.934,1073 4.691,1074 13.471,1075 17.224,1077 27.263,1078 12.853,1079 2.061,1080 8.8,1081 23.822,1082 4.115,1083 14.643,1084 18.766,1085 0.684,1086 29.703,1087 13.979,1088 2.039,1089 6.118,1090 25.716,1091 3.371,1092 15.79,1093 20.268,1095 32.12,1096 15.07,1097 1.739,1098 5.62,1099 27.614,1100 2.817,1101 16.958,1102 21.802,1103 0.546,1104 34.557,1105 16.19,1106 1.257,1107 5.278,1108 29.516,1109 2.604,1110 18.117,1111 23.321,1113 36.986,1114 17.296,1115 4726,1116 8953,1117 16.126,1118 27.705,1119 37.225,1120 38.471,1121 40.738,1122 37.269,1123 37.228,1124 49.873,1125 5.16,1126 113.035,1127 33.435,1128 5.391,1129 5.412,1130 6.475,1131 5.333,1132 5.28,1133 7.691,1134 1.72,1135 19.116,1136 5.117,1137 13.273,1138 1.489,1139 1.539,1140 1.63,1141 1.491,1142 1.489,1143 1.995,1144 0.206,1145 4.521,1146 1.337,1147 4.104,1148 4.11,1149 6.881,1150 4.119,1151 5.188,1152 4.071,1153 3.867,1154 3.869,1155 4.28,1156 3.797,1157 4.969,1158 3.793,1159 3.338,1160 3.371,1161 3.874,1162 3.246,1163 4.652,1164 3.223,1165 3.303,1166 3.355,1167 3.451,1168 3.014,1169 4.58,1170 3.026,1171 3.238,1172 3.308,1173 3.144,1174 3.006,1175 4.46,1176 3.011,1177 3.192,1178 3.273,1179 3.133,1180 2.9,1181 4.316,1182 2.897,1183 2.979,1184 3.073,1185 2.974,1186 2.817,1187 4.104,1188 2.774,1189 2.704,1190 2.776,1191 2.781,1192 2.562,1193 3.51,1194 2.537,1195 0.189,1196 0.136,1197 0.277,1198 0.169,1199 0.131,1200 4.715,1201 0.188,1202 3.412,1203 0.034,1204 6.933,1205 0.466,1206 4.23,1207 0.125,1208 3.28,1209 4.691,1210 0.86,1211 11.649,1212 3.117,1213 1.97,1214 1.961,1215 2.006,1216 2.052,1217 1.194,1218 2.043,1219 1.74,1220 1.728,1221 1.786,1222 1.876,1223 0.935,1224 1.856,1225 1.401,1226 1.41,1227 1.59,1228 1.558,1229 0.64,1230 1.565,1231 1.227,1232 1.163,1233 1.571,1234 1.517,1235 0.584,1236 1.536,1237 1.183,1238 1.114,1239 1.534,1240 1.475,1241 0.571,1242 1.508,1243 1.145,1244 1.062,1245 1.304,1246 1.337,1247 0.547,1248 1.408,1249 0.876,1250 0.803,1251 1.165,1252 1.211,1253 0.137,1254 1.219,1255 0.825,1256 0.774,1257 1.004,1258 0.918,1259 0.09,1260 0.965,1261 3.932,1263 5.273,1264 2.398,1265 6.832,1266 4.727,1267 8.494,1268 6.843,1269 10.208,1270 3.525,1271 4.776,1275 6.002,1279 16.221,1289 26.087,1290 70.063,1291 142.627,1292 153.382,1293 156.137,1294 158.892,1295 167.157,1296 32.972,1297 7.033,1298 66.6,1299 94.84,1300 17,1301 12.599,1302 4.087,1303 3.17,1304 36.551,1305 68,1306 63,1307 0.274,1308 170.198,1309 283.26,1310 407.043,1311 8888,1312 2.6,1313 16.56,1314 0.72,1315 0.663,1316 17.914,1317 15.247,1318 11.1,1319 0.444,1320 0.336,1321 6.693,1322 9.593,1323 6.301,1324 5.267,1325 12.132,1326 8.391,1327 9.655,1328 0.268,1329 0.18,1330 10.921,1331 6.493,1332 8.817,1333 0.17,1334 0.106,1335 10.4,1336 5.497,1337 7.755,1338 0.109,1339 0.06,1340 9.564,1341 4.255,1342 5.969,1343 0.069,1344 0.032,1345 7.355,1346 2.759,1347 0.41,1348 83.602,1349 0.249,1350 21.807,1351 0.815,1352 122,1353 403.679,1354 221.592,1355 436.894,1356 586.97,1357 410,1358 149,1359 386.08,1360 226.426,1361 422.463,1362 620.94,1363 391,1364 4.602}
{0 CHEMBL248100,1 1.719,2 10.621,3 4.986,4 24.857,5 118.666,6 8.895,7 0.688,8 3.99,9 4.074,10 3.747,11 3.613,12 5.172,13 3.581,14 4.476,15 4.601,16 4.119,17 3.996,18 5.588,19 3.951,20 4.587,21 4.687,22 4.274,23 4.152,24 5.755,25 4.094,26 4.742,27 4.864,28 4.33,29 4.231,30 5.878,31 4.151,32 4.889,33 5.058,34 4.193,35 4.238,36 5.909,37 4.127,38 4.814,39 4.986,40 4.177,41 4.143,42 5.881,43 4.041,44 4.791,45 5.017,46 4.164,47 4.053,48 5.795,49 3.929,50 4.66,51 4.885,52 3.888,53 3.905,54 5.694,55 3.767,56 0.067,57 0.627,58 7.626,59 4.388,60 9.534,61 4.846,62 0.333,63 0.992,64 18.245,65 7.83,66 25.596,67 8.163,68 0.379,69 1.114,70 18.306,71 8.474,72 22.303,73 9.384,74 0.319,75 1.355,76 23.471,77 10.303,78 24.57,79 11.466,80 0.523,81 1.554,82 33.924,83 13.083,84 40.057,85 13.534,86 0.49,87 1.435,88 28.225,89 11.32,90 38.345,91 12.564,92 0.408,93 1.381,94 34.527,95 11.681,96 39.469,97 14.191,98 0.477,99 1.234,100 32.281,101 10.805,102 44.389,103 12.666,104 35,105 46,106 0.289,107 0.615,108 0.709,109 0.759,110 0.768,111 0.797,112 3.409,113 0.942,114 -4.6,115 -4.52,116 -4.25,118 45.8,123 3,138 6,139 5,140 4,141 1,143 1,147 1,148 1,158 1,159 1,160 1,167 9,171 4,172 1,173 1,175 1,178 16,180 1,181 2,182 6,186 1,188 12,190 1,191 1,192 9,197 3,199 11,201 3,204 3,208 3,211 8,213 3,214 2,215 6,220 4,223 7,225 4,227 1,228 4,235 7,240 4,242 2,243 2,245 1,247 5,249 1,252 5,254 1,255 1,260 1,264 1278,265 19.903,266 19.903,267 19.903,268 19.903,269 19.903,270 17.334,271 14.915,272 11.352,273 20.791,274 15.567,275 15.567,276 15.567,277 15.567,278 15.567,279 11.507,280 14.47,281 5.062,282 16.766,283 3.866,284 1.923,285 1.366,286 1.068,287 1.011,288 0.839,289 4.103,290 1,293 1,294 1,295 659,296 2.915,299 58.817,300 242.808,303 111.851,307 1.703,308 23.386,311 1,312 1,313 1,314 0.6,315 0.5,316 1,317 1,318 0.87,319 62.333,320 308,321 4.751,322 3.399,323 7.015,324 4.289,325 3.322,326 4.727,327 0.86,328 11.988,329 3.212,330 4.432,331 3.292,332 6.557,333 4.021,334 3.066,335 4.127,336 0.86,337 10.385,338 2.937,339 4.104,340 2.939,341 6.282,342 3.704,343 2.733,344 3.705,345 0.86,346 9.374,347 2.636,348 3.833,349 2.708,350 5.733,351 3.401,352 2.45,353 3.317,355 7.58,356 2.327,357 3.535,358 2.555,359 5.19,360 3.079,361 2.172,362 2.905,364 6.118,365 1.906,366 3.355,367 2.374,368 5.075,369 2.972,370 2.061,371 2.656,373 5.995,374 1.867,375 3.322,376 2.044,377 5.029,378 2.79,379 1.897,380 2.604,382 5.619,383 1.673,384 2.966,385 1.911,386 4.519,387 2.466,388 1.512,389 2.177,391 4.33,392 1.419,393 2.558,394 1.519,395 4.096,396 2.022,397 1.126,398 1.586,400 3.003,401 1,402 2.5,403 1.121,404 3.754,405 2,406 1.057,407 1.5,409 2.355,410 0.992,411 2.278,412 1,413 3.55,414 1.925,415 1,416 1.219,417 2.275,418 0.904,419 2.13,420 0.988,421 3.414,422 1.611,423 0.781,424 1.06,425 1.94,426 0.63,427 1.576,428 0.916,429 2.859,430 1.27,431 0.396,432 0.452,433 0.603,434 0.342,435 1.429,436 0.828,437 2.826,438 1.167,439 0.325,440 0.348,441 0.425,442 0.271,443 1.283,444 0.339,445 2.626,446 0.905,447 -0.02,448 -0.024,449 -0.043,450 -0.018,451 14.348,452 0.495,453 0.692,454 0.024,455 40.5,456 1.397,457 22,458 0.759,459 18.5,460 0.638,461 24.11,462 0.831,463 30.052,464 0.626,465 31.211,466 1.076,467 8.129,468 0.28,469 5.937,470 0.205,471 0.182,473 0.383,478 0.867,479 1.032,480 0.626,481 0.852,482 0.944,483 0.804,484 1.304,485 0.664,486 0.748,487 0.614,488 0.943,489 0.586,490 0.834,491 0.995,492 0.888,493 0.896,494 0.822,495 0.893,496 0.838,497 1.296,498 0.968,499 1.193,500 0.864,501 1.11,502 1.286,503 1.066,504 1.114,505 1.102,506 1.047,507 1.041,508 0.987,509 1.172,510 0.919,511 1.104,512 0.999,513 1.114,514 0.727,515 0.993,516 0.691,517 0.865,518 0.938,519 0.888,520 0.69,521 0.963,522 1.06,523 1.119,524 0.659,525 0.99,526 5.5,527 0.099,528 4,529 2.278,530 2.241,531 1.389,532 0.773,533 0.613,534 0.438,535 0.258,536 9647,537 30765,538 2.07,539 39.6,541 15,542 1,543 1,544 2,549 1.724,550 1.912,551 3.366,552 0.228,558 82.505,559 1.719,560 3.662,561 4.219,562 4.517,563 4.574,564 4.746,565 2.885,566 4.306,567 4.827,568 3.494,569 1418.43,570 8.436,571 18356.2,573 1,576 268.078,577 1.487,578 4.777,579 0.172,580 0.005,581 0.087,582 0.044,583 0.043,584 0.03,585 0.018,586 0.016,587 0.014,588 0.011,589 0.441,590 0.17,591 1,592 0.943,593 144.71,594 -0.066,595 0.003,596 0.034,597 0.02,598 -0.157,599 0.034,600 -0.182,601 0.341,602 0.08,603 0.341,604 -0.056,605 0.311,606 0.101,607 0.015,608 -0.037,609 0.029,610 0.029,611 -0.019,612 0.028,613 -0.268,614 -0.081,615 -0.2,616 -0.024,617 -0.2,618 -0.231,619 -0.036,620 -0.179,621 -0.034,622 -0.161,623 -0.079,624 -0.022,625 -0.151,626 -0.062,627 -0.136,628 -0.067,629 -0.169,630 0.096,631 -0.005,632 0.263,633 0.1,634 0.043,635 0.138,636 0.147,637 0.064,638 0.014,639 -0.044,640 0.269,641 0.053,642 1.178,643 2.274,644 0.724,645 26.761,646 1.011,647 1.109,648 3.37,649 11.358,650 0.724,651 3.497,652 3.85,653 4.205,654 4.522,655 4.779,656 4.92,657 5.088,658 5.268,659 5.38,660 5.455,661 6.136,662 0.686,663 426.95,664 3.497,665 5.056,666 5.943,667 6.851,668 7.757,669 8.673,670 9.587,671 10.506,672 11.423,673 12.345,674 4.2,678 1,684 1,689 2,690 8,691 1,694 1,695 9,697 22,708 1,714 3,715 1,716 48,718 22,719 2,720 32,722 51,723 22,724 19,725 6,726 6,728 4,729 5,730 1,740 19,741 3,760 19,761 5,762 2,763 7,764 2,769 2,775 0.75,776 3,787 1,793 1,794 3,797 1,819 3,821 1,823 3,824 1,827 29,828 1,835 3,845 1,849 1,850 6.3,855 3,858 15.167,859 9.76,860 6.556,861 2.513,863 4.322,864 1.548,865 1.004,866 5.742,867 12.215,868 3.784,869 4.469,870 5.171,871 5.844,872 6.444,873 6.881,874 7.392,875 7.913,876 8.332,877 8.746,878 1,879 52,880 10.631,881 4.464,882 7.699,883 20.211,884 16.372,885 2.199,886 63.778,889 1,890 200.109,891 175.101,892 49.683,893 39.149,894 33,896 31.278,897 143.823,898 272.257,899 49.683,900 32.649,902 97.404,903 28.557,904 76.593,905 14.845,906 207.844,907 39.149,908 200.109,909 193.506,910 33,911 70.426,913 200.109,914 33,917 9.047,918 167.673,919 55.934,920 31.278,921 200.109,922 82.682,923 214.249,926 200.109,927 68.898,928 106.203,930 121.831,931 200.109,932 82.682,933 214.249,935 0.58,936 0.368,937 0.21,938 0.116,939 23,940 11,941 0.098,942 5,943 1,944 1.095,945 3.853,946 270.868,947 0.095,948 21,949 128.881,950 1,954 20.106,955 8.282,956 3.596,957 1.959,958 82.682,959 15.393,960 4.459,963 1.62,964 6.811,966 32.897,967 497.04,968 43,980 48.538,981 53.226,983 0.308,984 0.656,985 0.755,986 0.809,987 0.819,988 0.85,989 5.027,990 1.512,991 5.948,992 5.619,993 4.533,994 5.156,995 1.693,996 6.83,997 4.405,998 6.271,999 1.126,1000 7.552,1001 4.33,1002 4.205,1003 5.094,1005 7.883,1006 4.041,1007 7.613,1008 1.057,1009 9.257,1010 3.003,1011 6.192,1012 7.486,1013 1.454,1014 11.022,1015 5.993,1016 8.996,1017 1,1018 11.02,1019 2.355,1020 6.698,1021 8.266,1023 12.903,1024 6.466,1025 10.411,1026 0.781,1027 12.822,1028 2.275,1029 8.156,1030 10.128,1031 1.232,1032 15.576,1033 7.901,1034 11.85,1035 0.396,1036 14.65,1037 1.94,1038 9.031,1039 11.299,1041 17.791,1042 8.741,1043 13.307,1044 0.325,1045 16.497,1046 0.603,1047 10.297,1048 12.955,1049 1.028,1050 20.315,1051 9.984,1052 3.322,1053 -0.02,1054 18.358,1055 0.425,1056 11.338,1057 14.317,1059 22.669,1060 10.989,1061 3.066,1062 11.988,1063 20.231,1064 -0.043,1065 12.536,1066 15.892,1067 0.845,1068 25.145,1069 12.162,1070 2.733,1071 10.385,1072 22.114,1073 4.727,1074 13.652,1075 17.345,1077 27.561,1078 13.242,1079 2.45,1080 9.374,1081 24.004,1082 4.127,1083 14.83,1084 18.891,1085 0.684,1086 30.025,1087 14.391,1088 2.172,1089 7.58,1090 25.901,1091 3.705,1092 15.979,1093 20.389,1095 32.468,1096 15.505,1097 2.061,1098 6.118,1099 27.803,1100 3.317,1101 17.153,1102 21.927,1103 0.546,1104 34.933,1105 16.649,1106 1.897,1107 5.995,1108 29.709,1109 2.905,1110 18.319,1111 23.447,1113 37.39,1114 17.781,1115 9376,1116 16855,1117 21.096,1118 34.733,1119 47.912,1120 49.193,1121 51.428,1122 47.798,1123 47.798,1124 64.767,1125 5.16,1126 143.978,1127 44.231,1128 5.429,1129 5.399,1130 6.557,1131 5.397,1132 5.322,1133 7.727,1134 1.72,1135 19.563,1136 5.212,1137 15.812,1138 1.497,1139 1.537,1140 1.607,1141 1.494,1142 1.494,1143 2.024,1144 0.161,1145 4.499,1146 1.382,1147 4.135,1148 4.143,1149 4.346,1150 4.14,1151 5.19,1152 4.102,1153 3.909,1154 3.918,1155 3.969,1156 3.843,1157 4.971,1158 3.844,1159 3.796,1160 3.813,1161 3.879,1162 3.741,1163 4.937,1164 3.726,1165 3.32,1166 3.355,1167 3.454,1168 3.218,1169 4.641,1170 3.204,1171 3.303,1172 3.354,1173 3.337,1174 3.013,1175 4.58,1176 3.026,1177 3.238,1178 3.307,1179 3.144,1180 3.006,1181 4.461,1182 3.011,1183 3.192,1184 3.273,1185 3.12,1186 2.901,1187 4.373,1188 2.898,1189 2.985,1190 3.076,1191 2.974,1192 2.846,1193 4.124,1194 2.802,1195 0.148,1196 0.106,1197 0.219,1198 0.134,1199 0.104,1200 4.751,1201 0.148,1202 3.399,1203 0.027,1204 7.015,1205 0.375,1206 4.289,1207 0.1,1208 3.322,1209 4.727,1210 0.86,1211 11.988,1212 3.212,1213 1.989,1214 1.977,1215 2.036,1216 2.064,1217 1.216,1218 2.058,1219 1.898,1220 1.884,1221 1.968,1222 1.969,1223 1.107,1224 1.976,1225 1.71,1226 1.697,1227 1.771,1228 1.844,1229 0.9,1230 1.831,1231 1.368,1232 1.367,1233 1.59,1234 1.558,1235 0.621,1236 1.565,1237 1.227,1238 1.163,1239 1.571,1240 1.516,1241 0.584,1242 1.534,1243 1.183,1244 1.114,1245 1.535,1246 1.471,1247 0.571,1248 1.5,1249 1.145,1250 1.062,1251 1.346,1252 1.34,1253 0.547,1254 1.4,1255 0.897,1256 0.838,1257 1.182,1258 1.219,1259 0.218,1260 1.224,1261 4.174,1263 5.517,1264 2.398,1265 7.074,1266 4.727,1267 8.73,1268 6.88,1269 10.438,1271 4.782,1272 6.041,1275 6.274,1279 16.44,1289 32.943,1290 82.505,1291 175.774,1292 202.529,1293 216.794,1294 219.549,1295 227.814,1296 43.288,1297 7.894,1298 66.6,1299 94.84,1300 23,1301 12.854,1302 4.524,1303 3.585,1304 44.502,1305 106,1306 120,1307 0.21,1308 207.996,1309 351.81,1310 499.269,1311 27761,1312 2.1,1313 20.543,1314 0.708,1315 0.611,1316 21.397,1317 17.727,1318 14.066,1319 0.44,1320 0.314,1321 8.746,1322 12.749,1323 8.317,1324 6.935,1325 14.809,1326 10.047,1327 12.361,1328 0.269,1329 0.166,1330 13.294,1331 7.648,1332 11.198,1333 0.17,1334 0.091,1335 12.191,1336 6.021,1337 9.705,1338 0.107,1339 0.051,1340 10.841,1341 4.597,1342 8.052,1343 0.068,1344 0.027,1345 9.127,1346 3.235,1347 0.321,1348 96.204,1349 0.218,1350 26.96,1351 0.602,1352 156,1353 479.228,1354 205.24,1355 508.336,1356 691.67,1357 478,1358 190,1359 471.209,1360 233.826,1361 508.389,1362 746.54,1363 473,1364 6.721}
{0 CHEMBL24828,1 1.715,2 12.633,3 5.087,4 25.882,5 118.666,6 8.804,7 0.515,8 4.096,9 4.21,10 3.809,11 3.624,12 5.183,13 3.608,14 4.654,15 4.831,16 4.207,17 4.022,18 5.692,19 3.985,20 4.896,21 5.087,22 4.303,23 4.185,24 5.942,25 4.112,26 5,27 5.239,28 4.249,29 4.119,30 5.993,31 4.028,32 4.9,33 5.149,34 4.082,35 4.02,36 5.885,37 3.947,38 4.725,39 4.904,40 4.108,41 4.046,42 5.806,43 3.985,44 4.877,45 5.093,46 4.17,47 4.064,48 5.938,49 3.991,50 4.807,51 5.035,52 4.136,53 4.001,54 5.805,55 3.888,56 0.058,57 0.853,58 9.037,59 4.983,60 7.077,61 6.16,62 0.356,63 1.361,64 21.772,65 8.436,66 26.488,67 10.434,68 0.51,69 1.694,70 35.268,71 11.548,72 40.534,73 14.399,74 0.653,75 1.701,76 43.941,77 12.799,78 59.27,79 16.162,80 0.799,81 1.495,82 35.628,83 10.733,84 59.961,85 14.498,86 0.337,87 1.441,88 25.124,89 9.744,90 30.079,91 12.223,92 0.614,93 1.604,94 31.754,95 10.393,96 58.941,97 13.134,98 0.6,99 1.394,100 30.973,101 10.363,102 50.053,103 13.272,104 18,105 46,106 0.284,107 0.627,108 0.815,109 0.857,110 0.857,111 0.857,112 3.44,113 0.972,114 -5,115 -4.9,116 -4.6,117 1,118 40.7,120 2,121 1,123 2,124 3,138 5,139 1,140 5,142 1,143 1,144 1,167 4,170 1,171 8,173 1,175 2,178 5,181 1,182 8,186 3,188 3,191 1,192 3,195 1,197 1,199 2,203 3,204 3,206 1,208 1,211 6,214 1,215 4,218 1,223 6,228 7,235 5,239 1,240 5,245 1,247 1,251 1,252 6,257 2,260 1,264 1484,265 20.334,266 20.334,267 20.334,268 20.334,269 20.334,270 18.245,271 25.914,272 11.895,273 21.132,274 16.224,275 16.224,276 16.224,277 16.224,278 16.224,279 13.028,280 33.11,281 5.597,282 17.491,283 4.04,284 1.974,285 0.836,286 0.584,287 0.584,288 0.584,289 4.138,293 1,294 1,295 819,296 3,300 348.882,304 134.1,307 2.233,308 30.309,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 65.25,320 379,321 4.577,322 3.313,323 6.59,324 4.104,325 3.14,326 4.513,327 0.86,328 10.547,329 3.026,330 4.234,331 3.216,332 6.11,333 3.801,334 2.862,335 3.883,336 0.86,337 8.93,338 2.672,339 3.982,340 2.915,341 5.997,342 3.611,343 2.661,344 3.488,345 0.8,346 8.482,347 2.542,348 3.609,349 2.799,350 5.409,351 3.515,352 2.568,353 2.875,354 0.4,355 7.143,356 2.41,357 3.511,358 2.673,359 5.198,360 3.04,361 2.153,362 2.699,364 6.281,365 1.941,366 3.362,367 2.419,368 4.937,369 3.024,370 2.096,371 2.613,373 5.707,374 1.905,375 3.116,376 2.205,377 4.89,378 2.861,379 1.952,380 2.242,382 5.661,383 1.659,384 2.99,385 2.025,386 4.529,387 2.534,388 1.615,389 2.087,391 4.533,392 1.464,393 2.833,394 1.708,395 4.133,396 2.359,397 1.417,398 1.965,400 3.629,401 1.323,402 2.678,403 1.47,404 3.903,405 2.238,406 1.34,407 1.732,409 3.135,410 1.195,411 2,412 1.099,413 3.414,414 1.984,415 1,416 1,417 2.275,418 0.983,419 1.955,420 1.077,421 3.32,422 1.667,423 0.754,424 0.877,425 1.833,426 0.678,427 1.692,428 0.971,429 3.08,430 1.434,431 0.553,432 0.608,433 1.132,434 0.478,435 1.551,436 0.682,437 2.844,438 1.186,439 0.308,440 0.373,441 0.625,442 0.25,443 1.121,444 0.23,445 2.683,446 0.85,447 -0.085,448 -0.091,449 -0.18,450 -0.078,451 14.886,452 0.496,453 0.729,454 0.024,455 37.5,456 1.25,457 17.5,458 0.583,459 20,460 0.667,461 28.331,462 0.944,463 32.514,464 0.602,465 27.054,466 0.902,467 7.11,468 0.237,469 7.419,470 0.247,471 0.176,473 0.329,477 1,478 0.754,479 1.279,480 0.508,481 0.997,482 0.576,483 0.951,484 1.046,485 0.917,486 0.585,487 0.751,488 0.653,489 0.796,490 0.926,491 1.124,492 0.889,493 1.07,494 0.799,495 1.065,496 1.022,497 1.025,498 0.635,499 0.948,500 0.935,501 0.96,502 0.927,503 0.675,504 0.343,505 0.601,506 0.73,507 0.688,508 0.887,509 1.163,510 0.625,511 1.044,512 0.782,513 1.063,514 1.274,515 1.001,516 0.571,517 0.854,518 1.163,519 0.959,520 0.933,521 0.935,522 0.725,523 0.89,524 0.809,525 1.007,526 6.5,527 0.148,528 3.556,529 1.5,530 2.053,531 0.958,532 0.647,533 0.592,534 0.431,535 0.214,536 12191,537 34433,538 2.087,539 44.4,541 17,543 1,544 1,546 5,549 1.728,550 1.957,551 3.589,552 -0.316,558 92.617,559 1.715,560 3.781,561 4.919,562 5.171,563 5.171,564 5.171,565 3.095,566 4.282,567 4.873,568 3.754,569 1632.89,570 8.504,571 22764.7,576 310.764,577 1.4,578 4.839,579 0.197,580 0.007,581 0.077,582 0.031,583 0.05,584 0.023,585 0.015,586 0.015,587 0.013,588 0.008,589 0.437,590 0.33,591 0.88,592 0.715,593 154.829,594 -0.037,595 -0.203,596 0.01,597 -0.088,598 -0.007,599 -0.023,600 -0.104,601 0.085,602 0.031,603 0.134,604 0.039,605 0.121,606 0.025,607 -0.119,608 -0.05,609 -0.115,610 0.066,611 -0.107,612 0.011,613 -0.089,614 0.051,615 -0.045,616 0.034,617 0.005,618 0.12,619 0.188,620 0.104,621 0.232,622 0.093,623 0.261,624 0.017,625 -0.167,626 -0.035,627 -0.135,628 0.04,629 -0.112,630 -0.132,631 0.013,632 0.007,633 0.016,634 -0.076,635 -0.033,636 0.026,637 -0.014,638 0.033,639 0.025,640 0.012,641 -0.047,642 2.041,643 6.264,644 0.733,645 33.431,646 1.01,647 1.133,648 3.771,649 14.22,650 0.678,651 3.526,652 3.85,653 4.111,654 4.357,655 4.644,656 4.7,657 4.796,658 4.963,659 5.124,660 5.153,661 7.163,662 0.643,663 475.4,664 3.526,665 5.069,666 5.916,667 6.79,668 7.656,669 8.534,670 9.408,671 10.289,672 11.167,673 12.051,674 7.4,677 1,682 1,684 2,689 2,690 6,691 2,695 6,697 17,709 1,714 2,715 2,716 54,718 17,719 2,720 33,721 1,722 57,723 22,724 14,725 7,726 5,728 4,729 5,735 2,736 1,738 2,740 14,741 8,742 1,758 1,760 24,761 7,762 1,763 8,764 1,769 4,775 0.75,776 2,788 1,794 4,798 1,816 1,819 3,822 1,823 2,825 1,827 30,833 5,834 1,835 2,837 1,838 1,849 2,850 3.7,855 2,858 15.333,859 10.302,860 6.611,861 3.191,863 3.402,864 1.434,865 0.984,866 6.714,867 11.247,868 3.75,869 4.357,870 4.936,871 5.52,872 6.139,873 6.448,874 6.827,875 7.277,876 7.715,877 7.887,878 0.889,879 48,880 11.116,881 4.707,882 7.714,883 21.322,884 17.465,885 2.214,886 66.417,890 270.735,891 121.617,892 100.66,894 22,895 14.96,897 167.571,898 292.735,899 69.666,900 19.279,901 13.873,902 47.381,903 45.342,904 81.89,905 17.288,906 258.964,907 45.954,908 270.735,909 176.323,910 36.96,912 45.954,913 226.84,914 80.855,917 45.771,918 96.981,919 33.571,920 45.954,921 285.695,922 76.706,923 167.571,926 270.735,927 46.338,928 78.404,929 63.965,930 70.531,931 270.735,932 91.666,933 167.571,935 0.582,936 0.339,937 0.179,938 0.105,939 22,940 10,941 0.105,942 6,943 1,944 1.091,945 4.147,946 266.994,947 0.091,948 22,949 143.207,954 21.29,955 9.461,956 5.045,957 1.424,958 91.666,959 9.969,960 8.662,964 2.39,966 18.011,967 529.972,968 41.5,980 54.523,981 61.161,983 0.298,984 0.657,985 0.855,986 0.899,987 0.899,988 0.899,989 4.992,990 1.615,991 5.9,992 5.661,993 4.533,994 5.043,995 1.656,996 6.693,997 4.393,998 6.191,999 1.417,1000 7.449,1001 4.533,1002 4.111,1003 4.902,1004 0.325,1005 7.545,1006 3.884,1007 7.497,1008 1.34,1009 9.094,1010 3.629,1011 6.116,1012 7.263,1013 1.308,1014 10.62,1015 5.877,1016 8.837,1017 1,1018 10.793,1019 3.135,1020 6.479,1021 7.943,1022 0.268,1023 12.28,1024 6.17,1025 10.209,1026 0.754,1027 12.528,1028 2.275,1029 7.958,1030 9.807,1031 1.064,1032 14.876,1033 7.635,1034 11.604,1035 0.553,1036 14.287,1037 1.833,1038 8.696,1039 10.89,1040 0.188,1041 16.895,1042 8.317,1043 13.017,1044 0.308,1045 16.065,1046 1.132,1047 9.957,1048 12.544,1049 0.862,1050 19.32,1051 9.556,1052 3.14,1053 -0.085,1054 17.857,1055 0.625,1056 10.883,1057 13.831,1058 0.125,1059 21.507,1060 10.435,1061 2.862,1062 10.547,1063 19.661,1064 -0.18,1065 12.051,1066 15.391,1067 0.69,1068 23.87,1069 11.577,1070 2.661,1071 8.93,1072 21.475,1073 4.513,1074 13.072,1075 16.782,1076 0.082,1077 26.137,1078 12.555,1079 2.568,1080 8.482,1081 23.296,1082 3.883,1083 14.203,1084 18.302,1085 0.544,1086 28.48,1087 13.657,1088 2.153,1089 7.143,1090 25.125,1091 3.488,1092 15.273,1093 19.745,1094 0.054,1095 30.786,1096 14.688,1097 2.096,1098 6.281,1099 26.959,1100 2.875,1101 16.392,1102 21.249,1103 0.424,1104 33.126,1105 15.776,1106 1.952,1107 5.707,1108 28.798,1109 2.699,1110 17.487,1111 22.72,1112 0.035,1113 35.451,1114 16.835,1115 11623,1116 19846,1117 22.076,1118 36.597,1119 48.972,1120 49.994,1121 50.647,1122 49.003,1123 48.839,1124 61.91,1125 5.84,1126 139.826,1127 45.051,1128 5.577,1129 5.313,1130 6.117,1131 5.183,1132 5.14,1133 7.513,1134 1.72,1135 17.498,1136 5.026,1137 14.814,1138 1.484,1139 1.515,1140 1.535,1141 1.485,1142 1.48,1143 1.876,1144 0.177,1145 4.237,1146 1.365,1147 4.081,1148 4.109,1149 6.88,1150 3.98,1151 8.201,1152 3.993,1153 3.887,1154 3.934,1155 4.05,1156 3.836,1157 5.1,1158 3.824,1159 3.868,1160 3.907,1161 3.771,1162 3.724,1163 4.764,1164 3.719,1165 3.5,1166 3.54,1167 3.741,1168 3.278,1169 4.65,1170 3.312,1171 3.344,1172 3.42,1173 3.435,1174 3.11,1175 4.483,1176 3.114,1177 3.183,1178 3.255,1179 3.183,1180 2.986,1181 4.319,1182 2.98,1183 3.111,1184 3.206,1185 3.022,1186 2.941,1187 4.12,1188 2.91,1189 3.061,1190 3.135,1191 2.882,1192 2.873,1193 4.03,1194 2.855,1195 0.139,1196 0.1,1197 0.2,1198 0.124,1199 0.095,1200 4.577,1201 0.137,1202 3.313,1203 0.026,1204 6.59,1205 0.32,1206 4.104,1207 0.092,1208 3.14,1209 4.513,1210 0.86,1211 10.547,1212 3.026,1213 2.006,1214 1.985,1215 2.076,1216 2.128,1217 1.444,1218 2.109,1219 1.861,1220 1.839,1221 2.039,1222 2.028,1223 1.181,1224 2.041,1225 1.842,1226 1.788,1227 1.91,1228 1.94,1229 1.044,1230 1.941,1231 1.397,1232 1.352,1233 1.647,1234 1.661,1235 0.843,1236 1.646,1237 1.303,1238 1.224,1239 1.592,1240 1.576,1241 0.825,1242 1.587,1243 1.153,1244 1.069,1245 1.513,1246 1.412,1247 0.587,1248 1.429,1249 1.143,1250 1.064,1251 1.425,1252 1.376,1253 0.541,1254 1.428,1255 1.005,1256 0.937,1257 1.328,1258 1.241,1259 0.398,1260 1.28,1261 4.205,1263 5.525,1265 7.045,1267 8.656,1269 10.315,1270 3.268,1271 3.754,1273 14.264,1277 5.092,1278 3.053,1279 11.67,1281 0.532,1282 2.34,1289 34.718,1290 92.617,1291 204.158,1292 265.645,1293 279.254,1294 279.254,1295 279.254,1296 53.656,1297 7.845,1298 59.51,1299 59.51,1300 24,1301 12.585,1302 4.17,1303 3.248,1304 47.065,1305 129,1306 142,1307 0.179,1308 217.091,1309 372.83,1310 521.462,1311 29174,1312 3.7,1313 21.087,1314 0.703,1315 0.619,1316 21.217,1317 18.577,1318 14.529,1319 0.44,1320 0.324,1321 9.757,1322 13.258,1323 9.456,1324 7.827,1325 14.696,1326 10.687,1327 13.109,1328 0.285,1329 0.184,1330 13.396,1331 8.465,1332 11.028,1333 0.184,1334 0.099,1335 11.162,1336 5.911,1337 8.937,1338 0.116,1339 0.051,1340 8.796,1341 3.924,1342 7.643,1343 0.074,1344 0.029,1345 7.975,1346 2.944,1347 0.283,1348 100.45,1349 0.213,1350 28.486,1351 0.489,1352 158,1353 519.505,1354 241.478,1355 505.9,1356 674.14,1357 474,1358 185,1359 462.01,1360 232.1,1361 475.659,1362 694.84,1363 444,1364 5.585}
{0 CHEMBL248304,1 1.837,2 10.7,3 5.191,4 26.949,5 118.883,6 9.27,7 0.667,8 3.999,9 4.079,10 3.782,11 3.611,12 5.228,13 3.591,14 4.487,15 4.608,16 4.167,17 3.994,18 5.67,19 3.966,20 4.609,21 4.7,22 4.374,23 4.149,24 5.932,25 4.115,26 4.755,27 4.873,28 4.386,29 4.237,30 5.952,31 4.169,32 4.897,33 5.059,34 4.26,35 4.255,36 5.959,37 4.15,38 4.827,39 4.99,40 4.331,41 4.169,42 5.963,43 4.075,44 4.806,45 5.026,46 4.21,47 4.022,48 5.934,49 3.94,50 4.678,51 4.893,52 3.921,53 3.911,54 5.849,55 3.789,56 0.126,57 0.696,58 6.681,59 4.423,60 10.307,61 4.565,62 0.441,63 1.093,64 17.443,65 7.877,66 32.232,67 7.741,68 0.586,69 1.279,70 17.173,71 8.588,72 43.887,73 8.572,74 0.476,75 1.492,76 21.247,77 10.373,78 35.363,79 10.764,80 0.695,81 1.58,82 34.397,83 13.207,84 49.126,85 13.188,86 0.637,87 1.494,88 30.828,89 11.578,90 44.005,91 12.109,92 0.619,93 1.531,94 31.458,95 11.548,96 58.154,97 13.622,98 0.657,99 1.362,100 33.582,101 10.952,102 66.208,103 12.453,104 46,105 48,106 0.308,107 0.644,108 0.736,109 0.787,110 0.796,111 0.825,112 3.441,113 0.923,114 -4.71,115 -4.62,116 -4.34,118 45.8,123 3,138 5,139 5,140 5,141 1,143 1,147 1,148 1,158 1,159 1,160 1,167 8,171 4,172 1,173 1,175 1,178 13,180 1,181 2,182 6,186 1,188 10,190 1,191 1,192 9,197 3,199 11,201 3,204 3,208 3,211 7,213 3,214 2,215 5,220 3,223 6,225 3,227 1,228 5,233 1,235 6,237 1,240 3,242 2,243 2,247 3,252 5,254 1,255 1,260 2,264 1376,265 20.403,266 20.403,267 20.403,268 20.403,269 20.403,270 17.781,271 15.499,272 11.521,273 21.322,274 16.035,275 16.035,276 16.035,277 16.035,278 16.035,279 11.893,280 14.75,281 5.121,282 17.32,283 3.748,284 1.751,285 1.201,286 0.902,287 0.844,288 0.672,289 4.133,290 1,293 1,294 1,295 684,296 3,299 61.159,300 252.789,303 116.354,307 1.72,308 33.998,311 1,312 1,313 1,314 0.6,315 0.5,316 1,317 1,318 0.87,319 65.833,320 321,321 4.753,322 3.404,323 7.016,324 4.291,325 3.325,326 4.729,327 0.86,328 11.994,329 3.214,330 4.435,331 3.338,332 6.558,333 4.025,334 3.07,335 4.131,336 0.86,337 10.39,338 2.94,339 4.224,340 3.24,341 6.295,342 3.776,343 2.837,344 3.886,345 0.86,346 9.43,347 2.663,348 3.93,349 2.719,350 5.948,351 3.531,352 2.584,353 3.406,355 8.234,356 2.408,357 3.596,358 2.555,359 5.622,360 3.19,361 2.243,362 2.969,364 7.124,365 2.087,366 3.355,367 2.372,368 5.19,369 2.972,370 2.061,371 2.678,373 6.118,374 1.867,375 3.333,376 2.125,377 5.073,378 2.799,379 1.903,380 2.604,382 5.619,383 1.688,384 2.97,385 2.042,386 4.55,387 2.474,388 1.513,389 2.185,391 4.371,392 1.447,393 2.82,394 1.901,395 4.135,396 2.319,397 1.414,398 1.948,400 3.529,401 1.217,402 2.558,403 1.505,404 4.021,405 2.027,406 1.126,407 1.586,409 3.012,410 1.008,411 2.278,412 1.112,413 3.755,414 1.926,415 1.057,416 1.22,417 2.355,418 0.904,419 2.13,420 0.988,421 3.551,422 1.614,423 0.782,424 1.061,425 1.943,426 0.634,427 1.576,428 0.916,429 2.859,430 1.27,431 0.396,432 0.452,433 0.603,434 0.342,435 1.429,436 0.837,437 2.826,438 1.167,439 0.325,440 0.348,441 0.425,442 0.271,443 1.371,444 0.626,445 2.733,446 0.941,447 0.101,448 0.123,449 0.224,450 0.074,451 14.633,452 0.488,453 0.781,454 0.026,455 41.25,456 1.375,457 22,458 0.733,459 19.25,460 0.642,461 25.721,462 0.857,463 31.567,464 0.658,465 33.071,466 1.102,467 8.348,468 0.278,469 6.129,470 0.204,471 0.198,473 0.41,477 1,478 0.769,479 0.943,480 0.607,481 0.851,482 0.693,483 0.796,484 1.119,485 0.698,486 0.725,487 0.617,488 0.741,489 0.563,490 0.829,491 1.019,492 0.813,493 0.901,494 0.832,495 0.869,496 0.826,497 1.119,498 0.943,499 1.143,500 0.797,501 1.095,502 1.04,503 0.871,504 1.199,505 1.109,506 0.621,507 1.064,508 0.872,509 1.021,510 0.914,511 1.074,512 0.724,513 1.115,514 0.683,515 1.02,516 0.635,517 0.932,518 0.807,519 0.887,520 0.71,521 0.835,522 1.194,523 1.137,524 0.632,525 1.029,526 6,527 0.14,528 4.444,529 2.465,530 2.432,531 1.421,532 0.91,533 0.635,534 0.508,535 0.258,536 10462,537 36782,538 2.048,539 37.5,541 14,542 1,543 1,544 2,549 1.733,550 1.875,551 3.389,552 0.243,558 88.157,559 1.837,560 3.834,561 4.384,562 4.683,563 4.741,564 4.913,565 2.879,566 4.323,567 4.877,568 3.522,569 1531.9,570 8.535,571 20337.9,576 268.078,577 1.522,578 4.816,579 0.182,580 0.007,581 0.093,582 0.045,583 0.045,584 0.03,585 0.02,586 0.015,587 0.015,588 0.01,589 0.462,590 0.17,591 1,592 0.96,593 151.428,594 -0.069,595 -0.005,596 0.027,597 0.019,598 -0.105,599 0.034,600 -0.163,601 0.222,602 0.086,603 0.336,604 -0.035,605 0.334,606 0.112,607 0.02,608 0.018,609 0.026,610 0.085,611 -0.016,612 -0.027,613 -0.158,614 -0.075,615 -0.15,616 -0.075,617 -0.188,618 -0.192,619 -0.039,620 -0.196,621 -0.039,622 -0.079,623 -0.082,624 -0.029,625 -0.148,626 0.024,627 -0.099,628 -0.052,629 -0.156,630 0.133,631 -0.09,632 0.288,633 0.024,634 0.076,635 0.154,636 0.116,637 0.097,638 -0.068,639 -0.06,640 0.198,641 0.031,642 2.135,643 5.623,644 0.7,645 27.8,646 1.022,647 1.116,648 3.476,649 12.084,650 0.722,651 3.526,652 3.892,653 4.248,654 4.554,655 4.812,656 4.963,657 5.136,658 5.313,659 5.434,660 5.521,661 6.272,662 0.694,663 444.94,664 3.526,665 5.094,666 5.984,667 6.895,668 7.803,669 8.72,670 9.635,671 10.555,672 11.474,673 12.397,674 4.2,678 1,684 1,689 2,690 7,691 1,694 1,695 10,697 22,708 1,714 3,715 2,716 48,718 22,719 2,720 33,722 51,723 22,724 19,725 7,726 5,728 4,729 5,730 1,740 19,741 3,758 1,760 18,761 6,762 2,763 8,764 2,769 2,775 0.75,776 3,787 1,793 1,794 3,797 1,819 3,821 1,823 3,824 1,825 1,827 30,828 1,835 3,845 1,849 2,850 6.3,855 3,858 16,859 9.819,860 6.75,861 2.501,863 4.356,864 1.545,865 1.005,866 5.934,867 12.343,868 3.807,869 4.503,870 5.205,871 5.869,872 6.471,873 6.917,874 7.427,875 7.948,876 8.375,877 8.801,878 1,879 55,880 11.039,881 4.724,882 7.881,883 20.632,884 16.746,885 2.381,886 71.444,889 1,890 188.338,891 174.745,892 49.683,893 39.149,894 33,895 14.96,896 31.278,897 143.468,898 260.486,899 64.643,900 32.649,902 87.927,903 28.557,904 85.714,905 29.805,906 196.073,907 39.149,908 188.338,909 193.151,910 47.96,911 70.426,913 203.298,914 33,917 9.047,918 167.318,919 55.934,920 31.278,921 203.298,922 82.682,923 213.894,926 188.338,927 78.019,928 96.727,930 136.791,931 188.338,932 97.642,933 213.894,935 0.585,936 0.374,937 0.208,938 0.114,939 24,940 12,941 0.098,942 5,943 1,944 1.095,945 3.892,946 284.762,947 0.095,948 21,949 139.207,950 1,954 21.003,955 8.476,956 3.684,957 1.723,958 97.642,959 12.014,960 4.4,963 1.522,964 4.88,966 32.897,967 499.874,968 44,980 49.051,981 53.565,983 0.329,984 0.686,985 0.785,986 0.839,987 0.849,988 0.88,989 5.059,990 1.513,991 5.999,992 5.619,993 4.575,994 5.19,995 1.693,996 6.889,997 4.439,998 6.312,999 1.414,1000 7.612,1001 4.371,1002 4.29,1003 5.173,1005 7.949,1006 4.112,1007 7.66,1008 1.126,1009 9.324,1010 3.529,1011 6.248,1012 7.531,1013 1.454,1014 11.084,1015 6.033,1016 9.049,1017 1.057,1018 11.093,1019 3.012,1020 6.781,1021 8.337,1023 12.953,1024 6.521,1025 10.469,1026 0.782,1027 12.896,1028 2.355,1029 8.222,1030 10.179,1031 1.232,1032 15.624,1033 7.94,1034 11.911,1035 0.396,1036 14.724,1037 1.943,1038 9.11,1039 11.363,1041 17.827,1042 8.784,1043 13.371,1044 0.325,1045 16.57,1046 0.603,1047 10.366,1048 13.007,1049 1.028,1050 20.347,1051 10.019,1052 3.325,1053 0.101,1054 18.429,1055 0.425,1056 11.411,1057 14.372,1059 22.694,1060 11.024,1061 3.07,1062 11.994,1063 20.298,1064 0.224,1065 12.603,1066 15.94,1067 0.845,1068 25.167,1069 12.192,1070 2.837,1071 10.39,1072 22.177,1073 4.729,1074 13.718,1075 17.391,1077 27.578,1078 13.27,1079 2.584,1080 9.43,1081 24.062,1082 4.131,1083 14.891,1084 18.932,1085 0.684,1086 30.04,1087 14.416,1088 2.243,1089 8.234,1090 25.954,1091 3.886,1092 16.037,1093 20.427,1095 32.482,1096 15.529,1097 2.061,1098 7.124,1099 27.852,1100 3.406,1101 17.208,1102 21.961,1103 0.546,1104 34.945,1105 16.671,1106 1.903,1107 6.118,1108 29.754,1109 2.969,1110 18.37,1111 23.478,1113 37.402,1114 17.801,1115 10209,1116 19283,1117 21.501,1118 34.671,1119 49.517,1120 51.515,1121 53.61,1122 49.372,1123 49.476,1124 66.651,1125 5.16,1126 150.741,1127 45.529,1128 5.431,1129 5.404,1130 6.558,1131 5.4,1132 5.325,1133 7.729,1134 1.72,1135 19.576,1136 5.214,1137 17.688,1138 1.501,1139 1.561,1140 1.625,1141 1.496,1142 1.499,1143 2.02,1144 0.156,1145 4.568,1146 1.38,1147 4.136,1148 4.143,1149 4.347,1150 4.14,1151 8.201,1152 4.103,1153 3.913,1154 3.921,1155 3.992,1156 3.843,1157 5.189,1158 3.847,1159 3.805,1160 3.819,1161 3.879,1162 3.74,1163 4.969,1164 3.729,1165 3.324,1166 3.358,1167 3.453,1168 3.216,1169 4.862,1170 3.204,1171 3.303,1172 3.355,1173 3.324,1174 3.012,1175 4.634,1176 3.026,1177 3.239,1178 3.308,1179 3.144,1180 3.006,1181 4.58,1182 3.011,1183 3.192,1184 3.273,1185 3.139,1186 2.9,1187 4.46,1188 2.898,1189 2.988,1190 3.077,1191 2.983,1192 2.836,1193 4.364,1194 2.8,1195 0.144,1196 0.103,1197 0.213,1198 0.13,1199 0.101,1200 4.753,1201 0.143,1202 3.404,1203 0.026,1204 7.016,1205 0.363,1206 4.291,1207 0.097,1208 3.325,1209 4.729,1210 0.86,1211 11.994,1212 3.214,1213 1.988,1214 1.977,1215 2.029,1216 2.064,1217 1.215,1218 2.057,1219 1.892,1220 1.881,1221 1.952,1222 1.97,1223 1.101,1224 1.969,1225 1.708,1226 1.696,1227 1.765,1228 1.845,1229 0.895,1230 1.829,1231 1.364,1232 1.363,1233 1.59,1234 1.558,1235 0.609,1236 1.565,1237 1.227,1238 1.163,1239 1.571,1240 1.517,1241 0.584,1242 1.534,1243 1.183,1244 1.114,1245 1.534,1246 1.473,1247 0.57,1248 1.499,1249 1.145,1250 1.062,1251 1.341,1252 1.347,1253 0.545,1254 1.399,1255 0.895,1256 0.831,1257 1.184,1258 1.222,1259 0.167,1260 1.224,1261 4.205,1263 5.557,1264 2.398,1265 7.12,1266 4.727,1267 8.782,1268 6.88,1269 10.494,1271 4.696,1272 5.986,1273 13.623,1275 6.231,1279 16.37,1289 33.326,1290 88.157,1291 184.023,1292 210.429,1293 224.794,1294 227.549,1295 235.814,1296 56.014,1297 7.988,1298 66.6,1299 94.84,1300 23,1301 12.904,1302 4.524,1303 3.585,1304 46.831,1305 113,1306 116,1307 0.208,1308 209.194,1309 357.88,1310 502.193,1311 31144,1312 4.2,1313 21.413,1314 0.714,1315 0.601,1316 21.397,1317 18.027,1318 14.477,1319 0.439,1320 0.308,1321 8.826,1322 13.07,1323 8.418,1324 6.997,1325 14.809,1326 10.153,1327 12.869,1328 0.268,1329 0.161,1330 13.306,1331 7.74,1332 11.776,1333 0.171,1334 0.089,1335 12.081,1336 6.134,1337 9.97,1338 0.106,1339 0.05,1340 11.083,1341 4.686,1342 8.227,1343 0.067,1344 0.027,1345 9.085,1346 3.237,1347 0.319,1348 99.534,1349 0.216,1350 27.71,1351 0.596,1352 162,1353 573.339,1354 215.071,1355 570.463,1356 763.72,1357 534,1358 198,1359 515.542,1360 248.406,1361 546.166,1362 804.49,1363 508,1364 6.959}
{0 CHEMBL248306,1 1.657,2 11.469,3 3.358,4 11.278,5 126.991,6 8.174,7 0.629,8 4.117,9 4.214,10 3.791,11 3.693,12 5.317,13 3.669,14 4.603,15 4.741,16 4.146,17 4.075,18 5.756,19 4.035,20 4.741,21 4.856,22 4.294,23 4.241,24 5.918,25 4.189,26 4.909,27 5.059,28 4.41,29 4.346,30 6.039,31 4.269,32 5.041,33 5.212,34 4.297,35 4.365,36 6.114,37 4.264,38 4.983,39 5.166,40 4.274,41 4.286,42 6.061,43 4.188,44 4.968,45 5.195,46 4.172,47 4.204,48 5.986,49 4.089,50 4.867,51 5.087,52 4.049,53 4.087,54 5.946,55 3.973,56 0.083,57 0.766,58 10.372,59 5.167,60 13.853,61 5.849,62 0.38,63 1.176,64 21.442,65 8.973,66 41.102,67 10.008,68 0.445,69 1.381,70 21.622,71 10.002,72 40.355,73 11.323,74 0.323,75 1.66,76 29.234,77 12.475,78 30.651,79 14.85,80 0.582,81 1.817,82 39.488,83 14.593,84 57.247,85 16.067,86 0.537,87 1.716,88 34.172,89 13.118,90 50.238,91 15.581,92 0.418,93 1.692,94 37.425,95 13.61,96 49.948,97 17.014,98 0.525,99 1.572,100 36.824,101 11.888,102 54.218,103 14.302,104 54,105 50,106 0.27,107 0.617,108 0.737,109 0.803,110 0.811,111 0.836,112 3.503,113 0.915,114 -3.61,115 -3.58,116 -3.42,118 43.6,120 1,123 3,138 6,139 6,140 3,141 1,143 1,147 1,148 1,153 1,158 2,159 2,160 2,167 12,171 5,172 2,173 2,175 2,178 18,180 2,181 2,182 7,186 2,188 13,190 2,191 1,192 11,197 5,199 13,201 5,204 5,208 5,211 9,213 5,214 2,215 8,220 6,223 8,225 6,227 1,228 7,233 3,235 8,237 3,240 4,242 2,243 2,245 1,247 6,249 1,251 1,252 6,254 3,255 3,256 1,257 1,259 2,260 4,262 1,263 1,264 1702,265 21.765,266 21.765,267 21.765,268 21.765,269 21.765,270 19.041,271 19.02,272 12.541,273 22.492,274 17.084,275 17.084,276 17.084,277 17.084,278 17.084,279 12.736,280 20.26,281 5.643,282 17.969,283 4.124,284 1.997,285 1.265,286 0.86,287 0.81,288 0.659,289 4.195,293 1,294 1,295 777,296 3.536,299 66.029,300 274.64,303 125.65,307 1.906,308 31.009,311 1,312 1,313 1,314 0.6,315 0.5,316 1,317 1,318 0.87,319 69.5,320 367,321 4.752,322 3.56,323 7.016,324 4.291,325 3.323,326 4.728,327 1.969,328 11.993,329 3.216,330 4.433,331 3.399,332 6.558,333 4.024,334 3.068,335 4.128,336 0.86,337 10.389,338 2.945,339 4.143,340 3.291,341 6.288,342 3.756,343 2.774,344 3.751,345 0.86,346 9.41,347 2.71,348 3.876,349 2.813,350 5.785,351 3.527,352 2.535,353 3.334,354 0.86,355 7.895,356 2.503,357 3.61,358 2.579,359 5.359,360 3.256,361 2.268,362 2.925,363 0.219,364 6.811,365 2.234,366 3.399,367 2.555,368 5.19,369 2.972,370 2.061,371 2.711,373 6.118,374 1.903,375 3.355,376 2.275,377 5.073,378 2.927,379 1.965,380 2.604,382 5.619,383 1.867,384 3.252,385 2.04,386 4.586,387 2.767,388 1.821,389 2.494,391 4.729,392 1.678,393 2.943,394 1.889,395 4.368,396 2.46,397 1.488,398 2.13,400 4.134,401 1.443,402 2.69,403 1.517,404 4.063,405 2.208,406 1.226,407 1.773,409 3.024,410 1.202,411 2.5,412 1.261,413 3.754,414 1.952,415 1.097,416 1.5,417 2.472,418 0.937,419 2.255,420 1,421 3.551,422 1.921,423 1,424 1.2,425 2.35,426 0.901,427 2.123,428 0.986,429 3.474,430 1.595,431 0.746,432 1.034,433 1.908,434 0.617,435 1.576,436 0.916,437 2.859,438 1.27,439 0.396,440 0.452,441 0.603,442 0.342,443 1.429,444 0.778,445 2.826,446 1.167,447 0.325,448 0.348,449 0.425,450 0.271,451 15.367,452 0.48,453 0.798,454 0.025,455 43.75,456 1.367,457 23.5,458 0.734,459 20.25,460 0.633,461 27.344,462 0.855,463 33.833,464 0.615,465 36.413,466 1.138,467 8.913,468 0.279,469 6.548,470 0.205,471 0.171,473 0.39,478 0.892,479 1.029,480 0.742,481 0.906,482 0.851,483 0.844,484 1.156,485 0.713,486 0.83,487 0.707,488 0.68,489 0.668,490 0.922,491 0.989,492 0.882,493 0.908,494 1.119,495 0.944,496 0.701,497 1.229,498 0.914,499 1.151,500 0.557,501 1.047,502 1.294,503 1.065,504 1.375,505 1.154,506 0.991,507 1.08,508 0.936,509 1.121,510 1.023,511 1.107,512 0.834,513 1.108,514 0.678,515 1.086,516 0.944,517 1.076,518 0.719,519 0.973,520 0.855,521 1.064,522 1.279,523 1.203,524 0.968,525 1.03,526 6.5,527 0.182,528 3.778,529 2.653,530 2.361,531 1.427,532 0.927,533 0.602,534 0.604,535 0.247,536 12620,537 38419,538 2.045,539 41.8,541 15,542 1,543 1,544 4,545 2,549 1.749,550 1.882,551 3.485,552 1.57,554 1,558 91.139,559 1.657,560 3.784,561 4.517,562 4.922,563 4.972,564 5.122,565 2.977,566 4.688,567 4.968,568 3.643,569 1806.94,570 8.716,571 25408.1,573 1,576 317.975,577 1.505,578 4.914,579 0.186,580 0.008,581 0.076,582 0.047,583 0.04,584 0.027,585 0.019,586 0.013,587 0.015,588 0.008,589 0.439,590 0.17,591 1,592 1.14,593 165.86,594 -0.089,595 0.068,596 0.045,597 0.056,598 -0.144,599 0.059,600 -0.094,601 0.306,602 0.106,603 0.304,604 0.062,605 0.276,606 0.032,607 0.056,608 -0.029,609 0.073,610 -0.138,611 -0.022,612 0.078,613 -0.2,614 0.074,615 -0.095,616 0.073,617 -0.068,618 -0.234,619 -0.045,620 -0.236,621 -0.055,622 -0.14,623 -0.103,624 -0.019,625 -0.116,626 -0.039,627 -0.105,628 -0.058,629 -0.134,630 0.076,631 -0.101,632 0.128,633 -0.036,634 0.049,635 0.058,636 0.011,637 -0.008,638 -0.074,639 -0.108,640 -0.019,641 -0.025,642 2.039,643 4.35,644 0.656,645 32.699,646 1.01,647 1.116,648 2.384,649 5.682,650 0.693,651 3.584,652 3.932,653 4.263,654 4.595,655 4.836,656 4.99,657 5.176,658 5.357,659 5.481,660 5.583,661 6.757,662 0.661,663 449.57,664 3.584,665 5.142,666 6.019,667 6.927,668 7.825,669 8.741,670 9.649,671 10.568,672 11.482,673 12.404,674 5.5,678 1,681 1,684 1,689 2,690 8,691 1,694 1,695 9,697 22,708 1,714 3,716 55,718 23,719 2,720 35,722 58,723 24,724 19,725 6,726 6,728 4,729 5,738 1,740 20,741 4,744 1,749 1,753 1,757 1,760 23,761 7,762 4,763 8,764 1,769 3,775 0.75,776 4,787 1,793 1,794 3,797 1,806 1,819 3,821 1,823 3,827 32,828 2,833 1,835 3,845 1,850 7.3,853 1,855 3,858 17,859 10.867,860 7.222,861 2.853,863 4.505,864 1.553,865 0.997,866 6.532,867 12.658,868 3.871,869 4.535,870 5.205,871 5.888,872 6.479,873 6.925,874 7.447,875 7.966,876 8.388,877 8.826,878 0.875,879 56,880 11.758,881 4.955,882 7.807,883 22.187,884 17.935,885 2.307,886 73.833,889 1,890 223.651,891 182.025,892 82.58,894 58.145,896 31.278,897 150.747,898 281.796,899 82.58,900 32.649,901 35.432,902 97.404,903 58.406,904 76.278,905 14.845,906 231.386,908 223.651,909 233.327,910 58.145,911 31.278,913 223.651,914 58.145,917 44.479,918 172.062,919 16.786,920 31.278,921 223.651,922 140.724,923 182.025,926 223.651,927 75.822,928 106.203,930 140.724,931 223.651,932 140.724,933 182.025,935 0.577,936 0.354,937 0.208,938 0.113,939 24,940 12,941 0.121,942 7,943 1,944 1.095,945 4.074,946 306.829,947 0.095,948 21,949 152,950 1,954 22.366,955 9.345,956 4.281,957 1.847,958 140.724,959 15.308,960 4.464,963 1.577,964 6.6,966 65.794,967 546.4,968 47,973 11.35,977 -0.372,980 55.527,981 61.405,983 0.287,984 0.655,985 0.781,986 0.851,987 0.86,988 0.886,989 5.115,990 1.821,991 6.023,992 5.619,993 4.615,994 5.223,995 2.492,996 6.897,997 4.529,998 6.355,999 1.488,1000 7.62,1001 4.729,1002 4.29,1003 5.165,1004 1.593,1005 7.93,1006 4.204,1007 7.691,1008 1.226,1009 9.317,1010 4.134,1011 6.263,1012 7.528,1013 3.204,1014 11.068,1015 6.122,1016 9.068,1017 1.097,1018 11.074,1019 3.024,1020 6.758,1021 8.302,1022 3.123,1023 12.932,1024 6.597,1025 10.476,1026 1,1027 12.869,1028 2.472,1029 8.213,1030 10.153,1031 4.294,1032 15.605,1033 8.017,1034 11.908,1035 0.746,1036 14.691,1037 2.35,1038 9.079,1039 11.321,1040 4.586,1041 17.81,1042 8.848,1043 13.359,1044 0.396,1045 16.533,1046 1.908,1047 10.342,1048 12.972,1049 5.539,1050 20.333,1051 10.083,1052 3.323,1053 0.325,1054 18.39,1055 0.603,1056 11.377,1057 14.332,1058 6.005,1059 22.683,1060 11.079,1061 3.068,1062 11.993,1063 20.259,1064 0.425,1065 12.573,1066 15.904,1067 6.841,1068 25.158,1069 12.245,1070 2.774,1071 10.389,1072 22.138,1073 4.728,1074 13.684,1075 17.357,1076 7.398,1077 27.571,1078 13.317,1079 2.535,1080 9.41,1081 24.026,1082 4.128,1083 14.86,1084 18.901,1085 8.167,1086 30.034,1087 14.461,1088 2.268,1089 7.895,1090 25.92,1091 3.751,1092 16.006,1093 20.398,1094 8.774,1095 32.477,1096 15.569,1097 2.061,1098 6.811,1099 27.819,1100 3.334,1101 17.178,1102 21.935,1103 9.505,1104 34.941,1105 16.709,1106 1.965,1107 6.118,1108 29.724,1109 2.925,1110 18.342,1111 23.454,1112 10.141,1113 37.398,1114 17.836,1115 12366,1116 21678,1117 22.887,1118 38.097,1119 52.388,1120 54.138,1121 55.844,1122 51.9,1123 52.186,1124 70.225,1125 9.536,1126 155.762,1127 49.539,1128 5.496,1129 5.56,1130 6.563,1131 5.399,1132 5.323,1133 7.728,1134 3.473,1135 19.575,1136 5.216,1137 18.681,1138 1.497,1139 1.547,1140 1.596,1141 1.483,1142 1.491,1143 2.006,1144 0.272,1145 4.45,1146 1.415,1147 4.139,1148 4.147,1149 4.345,1150 4.142,1151 7.437,1152 4.105,1153 3.922,1154 3.937,1155 3.886,1156 3.856,1157 5.189,1158 3.857,1159 3.827,1160 3.842,1161 3.834,1162 3.759,1163 4.97,1164 3.749,1165 3.499,1166 3.543,1167 3.454,1168 3.295,1169 4.887,1170 3.315,1171 3.307,1172 3.355,1173 3.412,1174 3.185,1175 4.748,1176 3.171,1177 3.303,1178 3.346,1179 3.15,1180 3.012,1181 4.59,1182 3.026,1183 3.236,1184 3.305,1185 3.144,1186 3.006,1187 4.58,1188 3.011,1189 3.192,1190 3.273,1191 2.982,1192 2.899,1193 4.457,1194 2.897,1195 0.136,1196 0.102,1197 0.2,1198 0.123,1199 0.095,1200 4.752,1201 0.135,1202 3.56,1203 0.056,1204 7.016,1205 0.343,1206 4.291,1207 0.092,1208 3.323,1209 4.728,1210 1.969,1211 11.993,1212 3.216,1213 1.996,1214 1.983,1215 2.065,1216 2.07,1217 1.238,1218 2.067,1219 1.922,1220 1.907,1221 1.992,1222 2.004,1223 1.163,1224 2.007,1225 1.722,1226 1.707,1227 1.789,1228 1.864,1229 0.935,1230 1.845,1231 1.46,1232 1.441,1233 1.611,1234 1.675,1235 0.757,1236 1.657,1237 1.312,1238 1.283,1239 1.59,1240 1.558,1241 0.584,1242 1.565,1243 1.227,1244 1.163,1245 1.57,1246 1.516,1247 0.576,1248 1.533,1249 1.183,1250 1.114,1251 1.531,1252 1.47,1253 0.567,1254 1.496,1255 1.145,1256 1.062,1257 1.359,1258 1.345,1259 0.538,1260 1.4,1261 4.263,1263 5.602,1264 2.398,1265 7.148,1266 4.727,1267 8.793,1268 6.88,1269 10.494,1271 4.737,1275 11.678,1277 0.181,1279 16.464,1289 36.378,1290 91.139,1291 208.147,1292 248.426,1293 270.691,1294 273.445,1295 281.71,1296 57.673,1297 8.152,1298 109.69,1299 137.93,1300 23,1301 12.913,1302 4.585,1303 3.7,1304 51.675,1305 129,1306 136,1307 0.2,1308 226.71,1309 388.35,1310 544.934,1311 39194,1313 22.828,1314 0.713,1315 0.587,1316 23.181,1317 18.786,1318 15.46,1319 0.442,1320 0.305,1321 9.703,1322 14.336,1323 9.283,1324 7.753,1325 15.914,1326 10.68,1327 13.763,1328 0.275,1329 0.161,1330 14.288,1331 8.048,1332 11.766,1333 0.168,1334 0.089,1335 12.47,1336 6.23,1337 10.594,1338 0.108,1339 0.05,1340 11.562,1341 4.892,1342 8.541,1343 0.068,1344 0.027,1345 9.395,1346 3.345,1347 0.308,1348 102.258,1349 0.209,1350 29.401,1351 0.564,1352 170,1353 530.072,1354 206.962,1355 526.752,1356 718.25,1357 494,1358 205,1359 506.828,1360 241.063,1361 535.126,1362 781.56,1363 497,1364 4.602}
{0 CHEMBL249697,1 1.437,2 7.316,3 1.761,4 3.1,5 76.664,6 7.093,7 0.714,8 3.69,9 3.839,10 3.224,11 3.19,12 4.767,13 3.172,14 4.205,15 4.411,16 3.589,17 3.567,18 5.202,19 3.531,20 4.386,21 4.615,22 3.648,23 3.681,24 5.395,25 3.624,26 4.446,27 4.695,28 3.586,29 3.681,30 5.378,31 3.609,32 4.341,33 4.568,34 3.465,35 3.618,36 5.314,37 3.534,38 4.36,39 4.611,40 3.224,41 3.548,42 5.303,43 3.415,44 4.271,45 4.552,46 2.73,47 3.342,48 5.081,49 3.119,50 4.082,51 4.442,52 2.203,53 2.933,54 4.749,55 2.65,56 0.039,57 0.587,58 7.979,59 2.761,60 7.893,61 4.178,62 0.141,63 0.905,64 14.364,65 4.628,66 14.081,67 7.141,68 0.278,69 1.037,70 17.776,71 5.514,72 24.113,73 8.461,74 0.179,75 1.047,76 19.171,77 5.597,78 21.424,79 9.019,80 0.184,81 0.966,82 16.879,83 5.178,84 20.287,85 8.103,86 0.242,87 0.914,88 17.665,89 5.385,90 25.449,91 8.387,92 0.123,93 0.74,94 16.434,95 5.646,96 19.862,97 8.709,98 0.137,99 0.509,100 14.76,101 4.658,102 20.489,103 7.463,104 13,105 30,106 0.261,107 0.653,108 0.786,109 0.86,110 0.86,111 0.86,112 3.013,113 0.913,114 -2.81,115 -2.82,116 -2.73,118 38.9,119 2,124 2,138 3,139 1,141 1,142 1,143 1,148 2,156 1,158 1,159 1,160 1,167 4,170 1,171 3,173 1,178 4,181 2,182 5,184 2,185 1,187 1,188 2,192 4,197 1,199 1,204 4,205 1,206 1,208 3,211 2,215 2,217 2,218 2,220 1,223 2,233 2,237 1,245 3,249 3,257 1,262 1,264 358,265 12.939,266 12.939,267 12.939,268 12.939,269 12.939,270 11.187,271 12.293,272 7.685,273 13.229,274 10.341,275 10.341,276 10.341,277 10.341,278 10.341,279 7.647,280 14.709,281 3.61,282 10.859,283 3.733,284 1.576,285 0.841,286 0.431,287 0.431,288 0.431,289 3.69,292 1,293 1,294 1,295 296,296 2.55,299 28.063,300 70.074,303 51.709,304 59.623,307 1.208,308 11.761,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 40.5,320 139,321 4.786,322 3.354,323 6.991,324 4.251,325 3.312,326 4.874,327 0.4,328 11.909,329 3.111,330 4.078,331 2.707,332 6.007,333 3.594,334 2.62,335 3.81,337 8.489,338 2.547,339 3.766,340 2.562,341 5.683,342 3.331,343 2.395,344 3.245,346 7.507,347 2.241,348 3.47,349 2.232,350 4.957,351 3.054,352 2.07,353 2.848,355 5.788,356 2.034,357 3.011,358 1.764,359 4.602,360 2.535,361 1.573,362 2.238,364 4.435,365 1.511,366 2.685,367 1.614,368 4.164,369 2.463,370 1.515,371 1.722,373 3.518,374 1.433,375 2.353,376 1.213,377 3.691,378 2.02,379 1.083,380 1.329,382 2.338,383 1.012,384 2.33,385 0.835,386 3.385,387 1.776,388 0.832,389 1.246,391 2.164,392 0.784,393 1.567,394 0.603,395 2.86,396 1.269,397 0.345,398 0.397,400 0.647,401 0.318,402 1.128,403 0.14,404 2.632,405 0.842,406 -0.11,407 -0.133,409 -0.219,410 -0.104,411 0.994,412 -0.179,413 2.344,414 0.555,415 -0.4,416 -0.522,417 -1.034,418 -0.381,419 0.575,420 -0.498,421 2.288,422 0.218,423 -0.737,424 -0.87,425 -1.65,426 -0.703,427 0.439,428 -0.809,429 2,430 0.066,431 -0.916,432 -1.245,433 -2.54,434 -0.896,435 0.13,436 -1.011,437 1.818,438 -0.204,439 -1.164,440 -1.381,441 -2.702,442 -1.116,443 -0.011,444 -1.169,445 1.478,446 -0.287,447 -1.265,448 -1.761,449 -3.54,450 -1.233,451 9,452 0.474,453 0.469,454 0.025,455 25.5,456 1.342,457 12.5,458 0.658,459 13,460 0.684,461 13.699,462 0.721,463 20.4,464 0.567,465 16.112,466 0.848,467 5.03,468 0.265,469 4.173,470 0.22,471 0.156,473 0.378,478 1.113,479 1.453,480 0.855,481 1.086,482 1.211,483 0.96,484 0.936,485 1.179,486 0.767,487 0.929,488 0.815,489 0.842,490 0.988,491 0.882,492 0.914,493 0.865,494 0.84,495 0.877,496 1.231,497 1.109,498 0.933,499 0.908,500 0.972,501 0.885,502 1.295,503 1.12,504 1.167,505 1.087,506 0.894,507 1.106,508 1.327,509 0.962,510 1.374,511 1.16,512 1.207,513 1.255,514 0.85,515 1.2,516 1.306,517 1.436,518 1.055,519 1.433,520 0.595,521 0.749,522 0.823,523 0.876,524 0.826,525 0.88,526 3.5,528 2.222,529 1.375,530 1.454,531 0.656,532 0.418,533 0.174,534 0.057,535 0.036,536 2834,537 6570,538 2.081,539 47.2,540 3,541 7,543 1,544 3,545 3,549 1.611,550 1.932,551 2.825,552 1.148,554 1,556 1,558 51.718,559 1.437,560 3.594,561 4.329,562 4.739,563 4.739,564 4.739,565 2.479,566 3.827,567 4.213,568 2.931,569 501.252,570 7.219,571 4721,572 1,573 1,575 1,576 186.117,577 1.462,578 4.171,579 0.167,581 0.074,582 0.044,583 0.05,584 0.026,585 0.023,586 0.019,587 0.011,588 0.018,589 0.433,590 0.67,591 1,592 1.315,593 79.957,594 -0.109,595 -0.209,596 0.048,597 -0.032,598 -0.217,599 0.019,600 0.126,601 -0.054,602 0.181,603 0.071,604 0.063,605 0.124,606 0.179,607 0.219,608 0.055,609 0.096,610 0.072,611 0.064,612 -0.146,613 -0.077,614 0.041,615 0.052,616 -0.075,617 0.069,618 -0.202,619 -0.031,620 -0.214,621 -0.116,622 -0.036,623 -0.158,624 -0.233,625 0.075,626 -0.411,627 -0.21,628 -0.202,629 -0.315,630 -0.11,631 -0.311,632 -0.358,633 -0.435,634 -0.137,635 -0.43,636 0.116,637 -0.049,638 0.189,639 0.085,640 0.185,641 0.137,642 0.931,643 1.645,644 0.684,645 12.554,646 0.995,647 1.138,648 1.582,649 2.504,650 0.655,651 3.091,652 3.434,653 3.761,654 4.111,655 4.394,656 4.511,657 4.625,658 4.718,659 4.635,660 4.419,661 4.312,662 0.619,663 255.36,664 3.091,665 4.635,666 5.509,667 6.418,668 7.324,669 8.245,670 9.162,671 10.086,672 11.007,673 11.933,674 13.9,675 1,679 1,682 1,684 2,689 3,690 4,691 2,695 3,697 15,709 1,716 36,718 15,719 1,720 21,722 38,723 14,724 10,725 3,726 3,728 3,729 6,732 3,740 10,741 4,757 1,760 17,761 4,762 3,763 5,766 1,769 5,775 0.333,784 1,793 1,794 2,797 1,798 1,813 1,819 1,823 2,827 19,828 1,833 2,834 1,858 9.833,859 7.017,860 4.222,861 2.124,863 3.249,864 1.477,865 1.023,866 3.03,867 10.063,868 3.384,869 4.099,870 4.83,871 5.573,872 6.223,873 6.693,874 7.17,875 7.636,876 7.911,877 8.024,878 1,879 31,880 6.979,881 2.907,882 7.579,883 13.517,884 11.008,885 2.079,886 39.5,887 0.001,890 164.795,891 73.612,892 85.765,897 73.612,898 164.795,899 85.765,900 17.65,901 37.109,902 28.429,903 65.068,904 15.664,905 7.229,906 153.024,908 164.795,909 159.377,913 164.795,917 68.952,918 38.843,919 51.582,921 164.795,922 85.765,923 73.612,926 164.795,927 18.485,928 56.413,929 18.011,930 66.468,931 164.795,932 85.765,933 73.612,935 0.577,936 0.343,937 0.202,938 0.125,939 16,940 7,941 0.079,942 3,943 2,944 1.308,945 3.051,946 147.565,947 0.308,948 13,949 80.711,954 12.24,955 4.704,956 2.02,957 2.895,958 84.479,959 8.112,960 9.093,964 3.102,966 50.908,967 324.173,968 28.5,980 35.811,981 40.983,983 0.278,984 0.695,985 0.837,986 0.917,987 0.917,988 0.917,989 4.613,990 0.832,991 5.509,992 2.338,993 4.111,994 4.783,995 0.278,996 6.382,997 4.014,998 5.863,999 0.345,1000 7.101,1001 2.164,1002 3.761,1003 4.808,1005 7.405,1006 3.619,1007 7.209,1008 -0.11,1009 8.797,1010 0.647,1011 5.746,1012 7.195,1013 0.05,1014 10.575,1015 5.542,1016 8.601,1017 -0.4,1018 10.556,1019 -0.219,1020 6.236,1021 8.083,1023 12.461,1024 5.968,1025 10.029,1026 -0.737,1027 12.356,1028 -1.034,1029 7.706,1030 9.951,1031 0.008,1032 15.162,1033 7.382,1034 11.484,1035 -0.916,1036 14.185,1037 -1.65,1038 8.585,1039 11.226,1041 17.402,1042 8.187,1043 12.958,1044 -1.164,1045 16.035,1046 -2.54,1047 9.864,1048 12.904,1049 0.001,1050 19.95,1051 9.41,1052 3.312,1053 -1.265,1054 17.902,1055 -2.702,1056 10.919,1057 14.353,1059 22.333,1060 10.391,1061 2.62,1062 11.909,1063 19.783,1064 -3.54,1065 12.133,1066 15.962,1068 24.832,1069 11.545,1070 2.395,1071 8.489,1072 21.675,1073 4.874,1074 13.266,1075 17.487,1077 27.271,1078 12.606,1079 2.07,1080 7.507,1081 23.575,1082 3.81,1083 14.46,1084 19.074,1086 29.755,1087 13.738,1088 1.573,1089 5.788,1090 25.482,1091 3.245,1092 15.627,1093 20.631,1095 32.216,1096 14.836,1097 1.515,1098 4.435,1099 27.395,1100 2.848,1101 16.818,1102 22.212,1104 34.695,1105 15.963,1106 1.083,1107 3.518,1108 29.314,1109 2.238,1110 18.001,1111 23.783,1113 37.166,1114 17.078,1115 2858,1116 4446,1117 13.929,1118 23.597,1119 31.666,1120 31.612,1121 33.252,1122 31.444,1123 31.49,1124 43.418,1125 0.8,1126 93.594,1127 29.981,1128 5.579,1129 5.354,1130 6.852,1131 5.323,1132 5.312,1133 7.874,1134 0.8,1135 19.444,1136 5.111,1137 9.047,1138 1.508,1139 1.505,1140 1.583,1141 1.497,1142 1.5,1143 2.068,1144 0.038,1145 4.457,1146 1.428,1147 4.201,1148 4.246,1149 4.181,1150 4.062,1151 5.134,1152 4.085,1153 3.743,1154 3.786,1155 3.677,1156 3.636,1157 5.003,1158 3.643,1159 3.594,1160 3.686,1161 3.448,1162 3.372,1163 4.658,1164 3.377,1165 3.312,1166 3.391,1167 3.185,1168 3.144,1169 4.363,1170 3.142,1171 3.082,1172 3.177,1173 2.904,1174 2.901,1175 3.95,1176 2.888,1177 2.94,1178 3.059,1179 2.77,1180 2.749,1181 3.817,1182 2.747,1183 2.841,1184 2.921,1185 2.645,1186 2.583,1187 3.703,1188 2.581,1189 2.671,1190 2.794,1191 2.411,1192 2.359,1193 3.539,1194 2.354,1195 0.228,1196 0.16,1197 0.333,1198 0.202,1199 0.158,1200 4.786,1201 0.232,1202 3.354,1203 0.019,1204 6.991,1205 0.567,1206 4.251,1207 0.148,1208 3.312,1209 4.874,1210 0.4,1211 11.909,1212 3.111,1213 2.052,1214 2.019,1215 2.116,1216 2.186,1217 1.266,1218 2.164,1219 1.616,1220 1.555,1221 1.837,1222 1.839,1223 1.033,1224 1.846,1225 1.551,1226 1.489,1227 1.771,1228 1.727,1229 0.884,1230 1.745,1231 1.425,1232 1.353,1233 1.626,1234 1.645,1235 0.696,1236 1.645,1237 1.13,1238 1.056,1239 1.403,1240 1.347,1241 0.463,1242 1.378,1243 0.907,1244 0.822,1245 1.208,1246 1.249,1247 0.259,1248 1.24,1249 0.836,1250 0.717,1251 1.191,1252 1.131,1253 0.162,1254 1.166,1255 0.662,1256 0.537,1257 1.027,1258 0.956,1259 0.083,1260 0.985,1261 3.761,1263 5.094,1264 2.398,1265 6.637,1266 4.727,1267 8.293,1268 6.843,1269 10.014,1271 4.132,1275 5.541,1277 1.255,1278 3.238,1289 22.268,1290 51.718,1291 129.388,1292 155.853,1293 170.608,1294 170.608,1295 170.608,1296 20.527,1297 6.815,1298 68.24,1299 68.24,1300 17,1301 12.439,1302 4,1303 3.087,1304 27.561,1305 50,1306 59,1307 0.298,1308 139.29,1309 220.14,1310 331.628,1311 6817,1313 13.405,1314 0.706,1315 0.586,1316 13.405,1317 11.143,1318 9.203,1319 0.438,1320 0.304,1321 6.301,1322 8.874,1323 6.083,1324 5.102,1325 9.203,1326 6.388,1327 8.276,1328 0.276,1329 0.158,1330 8.276,1331 4.727,1332 7.051,1333 0.168,1334 0.076,1335 7.051,1336 3.191,1337 6.165,1338 0.103,1339 0.038,1340 6.165,1341 2.295,1342 5.355,1343 0.067,1344 0.02,1345 5.355,1346 1.629,1347 0.438,1348 57.386,1349 0.268,1350 18.391,1351 0.913,1352 102,1353 256.58,1354 111.381,1355 256.171,1356 367.36,1357 242,1358 123,1359 289.62,1360 133.685,1361 294.743,1362 437,1363 278,1364 5}
{0 CHEMBL253292,1 1.717,2 15.576,3 5.521,4 30.484,5 131.889,6 8.296,7 0.514,8 4.167,9 4.293,10 3.813,11 3.675,12 5.295,13 3.659,14 4.675,15 4.857,16 4.163,17 4.02,18 5.808,19 3.977,20 4.907,21 5.12,22 4.263,23 4.147,24 5.971,25 4.081,26 4.92,27 5.13,28 4.259,29 4.16,30 6.013,31 4.05,32 4.989,33 5.247,34 4.133,35 4.054,36 6.101,37 3.964,38 4.826,39 5.072,40 3.957,41 3.957,42 5.891,43 3.877,44 4.632,45 4.833,46 4.014,47 3.943,48 5.744,49 3.875,50 4.694,51 4.908,52 3.96,53 3.968,54 5.748,55 3.865,56 0.086,57 0.873,58 10.713,59 4.806,60 8.92,61 6.318,62 0.425,63 1.302,64 22.152,65 8.029,66 33.253,67 10.738,68 0.646,69 1.467,70 34.598,71 9.837,72 49.702,73 13.257,74 0.562,75 1.451,76 39.634,77 11.807,78 54.657,79 15.537,80 0.81,81 1.449,82 41.905,83 11.552,84 87.859,85 16.091,86 0.68,87 1.293,88 33.089,89 9.688,90 66.083,91 13.168,92 0.401,93 1.198,94 22.827,95 7.58,96 38.411,97 10.502,98 0.313,99 1.205,100 26.59,101 9.092,102 33.675,103 12.31,104 34,105 46,106 0.279,107 0.592,108 0.737,109 0.82,110 0.826,111 0.826,112 3.531,113 0.969,114 -5.18,115 -5.07,116 -4.74,118 39,119 2,124 4,138 8,140 5,143 2,144 1,154 1,167 4,170 1,171 6,173 4,174 1,175 4,178 5,181 1,182 2,186 6,188 4,191 1,192 3,195 3,196 1,197 2,199 6,204 10,206 1,208 4,211 2,214 1,215 5,218 2,219 1,220 3,227 1,228 7,233 2,235 8,240 3,243 1,245 2,247 5,251 1,252 6,255 1,257 6,264 2211,265 22.325,266 22.325,267 22.325,268 22.325,269 22.325,270 19.867,271 32.798,272 13.363,273 23.166,274 17.149,275 17.149,276 17.149,277 17.149,278 17.149,279 13.538,280 48.636,281 6.209,282 18.528,283 4.165,284 2.239,285 1.352,286 0.839,287 0.805,288 0.805,289 4.214,290 2,294 1,295 1069,296 4.183,300 380.025,307 2.74,308 30.713,311 1,312 0.67,313 0.83,314 1,315 0.5,316 1,317 1,318 0.86,319 71.667,320 514,321 4.343,322 3.596,323 6.408,324 3.904,325 2.988,326 3.995,327 1.656,328 9.731,329 2.7,330 4.142,331 3.281,332 5.716,333 3.728,334 2.783,335 3.74,336 0.86,337 8.101,338 2.625,339 3.994,340 2.961,341 5.482,342 3.562,343 2.613,344 3.583,345 0.8,346 7.376,347 2.471,348 3.645,349 2.834,350 5.286,351 3.365,352 2.446,353 2.903,354 0.4,355 6.766,356 2.241,357 3.479,358 2.732,359 5.236,360 3.267,361 2.327,362 2.72,363 0.247,364 6.604,365 2.175,366 3.411,367 2.623,368 4.96,369 3.045,370 2.091,371 2.481,373 5.873,374 1.976,375 3.232,376 2.453,377 4.841,378 2.716,379 1.879,380 2.439,382 5.104,383 1.659,384 3.159,385 2.008,386 4.653,387 2.707,388 1.777,389 2.372,391 5.003,392 1.441,393 2.854,394 1.597,395 3.933,396 2.38,397 1.39,398 1.998,400 3.282,401 1.373,402 2.661,403 1.54,404 3.498,405 2.131,406 1.21,407 1.733,409 2.629,410 1.107,411 2.5,412 1.232,413 3.439,414 2.092,415 1.165,416 1.5,417 2.509,418 1.074,419 2.26,420 1.214,421 3.414,422 2,423 1,424 1.249,425 2.275,426 1,427 1.618,428 1,429 3.042,430 1.591,431 0.618,432 0.618,433 1.001,434 0.6,435 1.602,436 0.744,437 2.926,438 1.251,439 0.415,440 0.465,441 0.791,442 0.299,443 1.493,444 0.584,445 2.618,446 1.232,447 0.318,448 0.354,449 0.685,450 0.289,451 15.995,452 0.485,453 0.694,454 0.021,455 43.5,456 1.318,457 21.5,458 0.652,459 22,460 0.667,461 27.866,462 0.844,463 36.205,464 0.614,465 33.457,466 1.014,467 8.672,468 0.263,469 7.306,470 0.221,471 0.173,473 0.275,478 0.818,479 1.525,480 0.612,481 1.037,482 0.637,483 0.944,484 0.839,485 1.106,486 0.689,487 0.892,488 0.564,489 0.905,490 1.219,491 1.002,492 0.926,493 0.851,494 0.999,495 0.876,496 0.872,497 1.111,498 0.98,499 1.169,500 0.833,501 1.144,502 0.874,503 0.942,504 0.696,505 0.896,506 0.912,507 0.834,508 1.147,509 0.815,510 0.73,511 0.696,512 1.145,513 0.743,514 0.833,515 1.127,516 0.75,517 0.948,518 0.838,519 0.978,520 0.853,521 1.183,522 0.909,523 1.1,524 0.762,525 1.092,526 7,527 0.206,528 2.889,529 2.063,530 1.458,531 0.674,532 0.707,533 0.349,534 0.358,535 0.185,536 17345,537 51805,538 2.011,539 44.1,541 16,543 1,544 3,546 6,549 1.746,550 1.886,551 3.875,552 0.892,558 101.313,559 1.717,560 3.644,561 4.531,562 5.043,563 5.077,564 5.077,565 3.331,566 4.355,567 5.012,568 4.121,569 2175.92,570 8.745,571 35786.4,576 347.076,577 1.382,578 4.975,579 0.2,580 0.008,581 0.063,582 0.044,583 0.035,584 0.017,585 0.019,586 0.009,587 0.01,588 0.006,589 0.411,590 0.17,591 0.88,592 1.422,593 181.209,594 -0.079,595 -0.27,596 0.014,597 -0.085,598 -0.065,599 -0.024,600 0.094,601 0.038,602 0.059,603 0.035,604 0.142,605 0.015,606 -0.117,607 0.042,608 0.01,609 0.092,610 -0.056,611 0.06,612 0.092,613 -0.121,614 0.028,615 -0.161,616 0.105,617 -0.151,618 0.176,619 -0.04,620 0.19,621 0.054,622 0.251,623 0.155,624 -0.025,625 0.128,626 0.091,627 0.234,628 0.017,629 0.219,630 0.008,631 -0.023,632 0.021,633 -0.011,634 0.01,635 -0.033,636 -0.043,637 -0.16,638 -0.027,639 -0.113,640 -0.017,641 -0.101,642 2.194,643 5.323,644 0.545,645 46.606,646 1.011,647 1.133,648 3.946,649 15.567,650 0.679,651 3.584,652 3.85,653 4.043,654 4.22,655 4.369,656 4.331,657 4.407,658 4.511,659 4.585,660 4.663,661 9.182,662 0.644,663 489.45,664 3.584,665 5.094,666 5.905,667 6.746,668 7.57,669 8.414,670 9.243,671 10.088,672 10.92,673 11.767,674 10.2,677 1,681 2,682 1,684 2,690 9,691 2,695 7,697 18,709 1,714 1,715 2,716 59,718 19,719 2,720 35,722 61,723 23,724 16,725 5,726 7,728 3,729 3,730 2,731 1,732 2,740 17,741 6,744 1,749 1,753 1,760 26,761 8,762 3,763 10,764 2,769 6,775 1,776 2,788 1,794 3,816 1,819 3,823 2,824 2,827 33,833 4,834 3,835 1,838 1,849 2,850 3.4,853 1,855 1,858 17.5,859 10.969,860 7.556,861 3.633,863 3.294,864 1.435,865 0.959,866 9.722,867 10.864,868 3.829,869 4.363,870 4.83,871 5.33,872 5.811,873 5.825,874 6.053,875 6.448,876 6.721,877 7.041,878 1,879 47,880 12.131,881 4.94,882 7.79,883 22.899,884 17.693,885 2.29,886 75.556,890 270.735,891 139.678,892 90.728,893 78.297,894 36.145,897 139.678,898 385.177,899 90.728,900 17.65,901 46.931,902 75.81,903 70.487,904 58.512,905 8.932,906 258.964,907 78.297,908 270.735,909 230.406,910 36.145,911 78.297,913 200.109,914 106.771,917 94.335,918 102.5,919 111.868,921 270.735,922 126.872,923 217.976,926 270.735,927 37.599,928 105.203,929 54.032,930 148.013,931 270.735,932 126.872,933 217.976,935 0.566,936 0.327,937 0.166,938 0.084,939 18,940 9,941 0.164,942 10,944 1,945 4.535,946 274.065,948 18,949 152.465,954 25.212,955 12.725,956 7.84,958 126.872,959 15.516,960 8.262,964 3.447,966 54.032,967 615.583,968 45,973 12.323,977 -0.527,980 59.632,981 66.864,983 0.292,984 0.619,985 0.77,986 0.857,987 0.863,988 0.863,989 5.034,990 1.777,991 5.861,992 5.104,993 4.533,994 5.05,995 2.147,996 6.586,997 4.38,998 6.208,999 1.39,1000 7.37,1001 5.003,1002 4.007,1003 4.732,1004 1.305,1005 7.31,1006 3.721,1007 7.484,1008 1.21,1009 8.971,1010 3.282,1011 6.052,1012 7.147,1013 2.549,1014 10.337,1015 5.758,1016 8.791,1017 1.165,1018 10.626,1019 2.629,1020 6.312,1021 7.593,1022 2.354,1023 11.862,1024 5.873,1025 10.126,1026 1,1027 12.315,1028 2.509,1029 7.809,1030 9.507,1031 3.285,1032 14.399,1033 7.366,1034 11.479,1035 0.618,1036 14.029,1037 2.275,1038 8.45,1039 10.334,1040 3.414,1041 16.296,1042 7.863,1043 12.848,1044 0.415,1045 15.761,1046 1.001,1047 9.708,1048 12.013,1049 4.168,1050 18.654,1051 9.102,1052 2.988,1053 0.318,1054 17.509,1055 0.791,1056 10.549,1057 13.055,1058 4.466,1059 20.738,1060 9.806,1061 2.783,1062 9.731,1063 19.269,1064 0.685,1065 11.695,1066 14.603,1067 5.115,1068 23.029,1069 10.915,1070 2.613,1071 8.101,1072 21.041,1073 3.995,1074 12.642,1075 15.772,1076 5.504,1077 25.206,1078 11.734,1079 2.446,1080 7.376,1081 22.823,1082 3.74,1083 13.739,1084 17.244,1085 6.092,1086 27.476,1087 12.776,1088 2.327,1089 6.766,1090 24.614,1091 3.583,1092 14.742,1093 18.489,1094 6.531,1095 29.699,1096 13.661,1097 2.091,1098 6.604,1099 26.412,1100 2.903,1101 15.82,1102 19.916,1103 7.084,1104 31.963,1105 14.668,1106 1.879,1107 5.873,1108 28.218,1109 2.72,1110 16.854,1111 21.208,1112 7.551,1113 34.21,1114 15.59,1115 17054,1116 29983,1117 23.057,1118 40.034,1119 50.215,1120 51.936,1121 52.064,1122 50.279,1123 50.04,1124 64.301,1125 7.926,1126 135.459,1127 46.06,1128 5.241,1129 5.596,1130 6.026,1131 4.989,1132 4.988,1133 6.995,1134 2.912,1135 16.29,1136 4.7,1137 18.088,1138 1.435,1139 1.484,1140 1.488,1141 1.437,1142 1.43,1143 1.837,1144 0.226,1145 3.87,1146 1.316,1147 3.973,1148 4.012,1149 4.102,1150 3.874,1151 7.431,1152 3.875,1153 3.905,1154 3.927,1155 3.903,1156 3.833,1157 5.037,1158 3.833,1159 3.801,1160 3.852,1161 3.76,1162 3.633,1163 5.001,1164 3.66,1165 3.729,1166 3.801,1167 3.593,1168 3.533,1169 4.839,1170 3.536,1171 3.412,1172 3.462,1173 3.582,1174 3.138,1175 4.632,1176 3.17,1177 3.333,1178 3.407,1179 3.374,1180 3.123,1181 4.41,1182 3.116,1183 3.306,1184 3.4,1185 3.166,1186 3.097,1187 4.244,1188 3.089,1189 3.016,1190 3.096,1191 3.064,1192 2.849,1193 4.115,1194 2.821,1195 0.124,1196 0.103,1197 0.183,1198 0.112,1199 0.085,1200 4.343,1201 0.114,1202 3.596,1203 0.047,1204 6.408,1205 0.278,1206 3.904,1207 0.077,1208 2.988,1209 3.995,1210 1.656,1211 9.731,1212 2.7,1213 1.897,1214 1.87,1215 2.002,1216 2.038,1217 1.206,1218 2.024,1219 1.874,1220 1.857,1221 1.946,1222 1.971,1223 1.07,1224 1.968,1225 1.728,1226 1.679,1227 1.93,1228 1.935,1229 1.056,1230 1.941,1231 1.691,1232 1.616,1233 1.806,1234 1.883,1235 0.886,1236 1.875,1237 1.351,1238 1.259,1239 1.725,1240 1.59,1241 0.869,1242 1.638,1243 1.33,1244 1.256,1245 1.649,1246 1.584,1247 0.796,1248 1.602,1249 1.244,1250 1.193,1251 1.375,1252 1.55,1253 0.306,1254 1.515,1255 0.94,1256 0.876,1257 1.181,1258 1.215,1259 0.241,1260 1.198,1261 4.263,1263 5.541,1265 7.006,1267 8.553,1269 10.141,1271 4.276,1272 12.169,1277 3.54,1278 8.438,1279 5.806,1282 2.306,1289 38.008,1290 101.313,1291 214.979,1292 267.302,1293 297.566,1294 299.566,1295 299.566,1296 65.717,1297 7.569,1298 91.41,1299 91.41,1300 18,1301 12.33,1302 4.322,1303 3.459,1304 64.742,1305 181,1306 181,1307 0.169,1308 245.364,1309 424.28,1310 590.449,1311 23483,1312 3.4,1313 23.631,1314 0.716,1315 0.605,1316 24.631,1317 19.951,1318 15.978,1319 0.457,1320 0.323,1321 10.442,1322 14.745,1323 10.129,1324 8.435,1325 16.555,1326 11.3,1327 13.76,1328 0.299,1329 0.17,1330 14.502,1331 7.803,1332 11.095,1333 0.198,1334 0.097,1335 11.812,1336 5.437,1337 8.795,1338 0.131,1339 0.052,1340 9.512,1341 3.479,1342 6.582,1343 0.084,1344 0.024,1345 7.028,1346 1.877,1347 0.279,1348 106.449,1349 0.208,1350 31.747,1351 0.43,1352 162,1353 517.812,1354 210.813,1355 557.907,1356 737.21,1357 520,1358 183,1359 492.619,1360 223.6,1361 514.596,1362 746.06,1363 484,1364 6.367}
{0 CHEMBL253741,1 1.803,2 11.267,3 4.613,4 21.28,5 110.315,6 8.793,7 0.545,8 4.043,9 4.131,10 3.743,11 3.488,12 5.246,13 3.532,14 4.547,15 4.68,16 4.1,17 3.827,18 5.73,19 3.868,20 4.607,21 4.724,22 4.213,23 3.953,24 5.814,25 3.97,26 4.735,27 4.875,28 4.217,29 4.004,30 5.915,31 3.99,32 4.845,33 5.024,34 4.145,35 4.015,36 5.95,37 3.98,38 4.781,39 4.976,40 4,41 3.959,42 5.86,43 3.897,44 4.755,45 5.004,46 3.93,47 3.811,48 5.78,49 3.757,50 4.535,51 4.754,52 3.746,53 3.649,54 5.609,55 3.603,56 0.203,57 0.704,58 7.65,59 4.145,60 8.967,61 4.446,62 0.765,63 1.039,64 18.479,65 6.677,66 38.494,67 6.977,68 0.685,69 1.161,70 17.953,71 6.959,72 30.108,73 7.753,74 0.827,75 1.255,76 23.313,77 8.763,78 38.892,79 10.065,80 1.06,81 1.32,82 28.563,83 9.161,84 58.407,85 10.562,86 0.81,87 1.276,88 28.147,89 9.089,90 46.953,91 11.396,92 0.856,93 1.198,94 30.633,95 8.411,96 53.367,97 11.836,98 0.752,99 0.986,100 22.094,101 6.645,102 43.395,103 8.854,104 26,105 46,106 0.304,107 0.592,108 0.711,109 0.777,110 0.8,111 0.836,112 3.44,113 0.841,114 -3.25,115 -3.24,116 -3.11,118 40.8,123 3,125 1,138 5,140 8,143 2,144 1,167 1,170 2,171 5,173 2,175 4,178 2,181 2,182 4,184 1,186 2,188 1,191 1,192 6,195 5,196 1,197 1,199 2,203 1,204 4,206 1,211 2,214 3,215 6,220 2,223 1,227 2,228 3,231 1,233 2,239 3,240 1,243 3,245 1,251 1,252 2,255 1,260 4,264 1418,265 20.712,266 20.712,267 20.712,268 20.712,269 20.712,270 18.46,271 33.891,272 12.046,273 21.722,274 16.113,275 16.113,276 16.113,277 16.113,278 16.113,279 12.499,280 55.98,281 5.437,282 17.525,283 3.811,284 2.105,285 1.396,286 1.006,287 0.868,288 0.658,289 4.137,290 1,293 1,294 1,295 730,296 3.162,299 68.001,300 280.372,303 126.132,307 1.782,308 31.247,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 67.333,320 338,321 4.489,322 3.486,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.931,330 4.424,331 3.375,332 6.524,333 4.01,334 3.067,335 4.108,336 0.86,337 10.263,338 2.887,339 4.069,340 2.944,341 5.716,342 3.636,343 2.7,344 3.665,345 0.86,346 8.009,347 2.524,348 3.651,349 2.828,350 5.59,351 3.292,352 2.375,353 2.967,354 0.86,355 7.331,356 2.174,357 3.551,358 2.555,359 5.274,360 3.137,361 2.218,362 2.879,363 0.532,364 6.652,365 2.002,366 3.355,367 2.497,368 5.19,369 2.972,370 2.061,371 2.604,372 0.4,373 6.118,374 1.867,375 3.24,376 2.152,377 4.842,378 2.8,379 1.875,380 2.497,381 0.4,382 5.466,383 1.708,384 3.038,385 2.016,386 4.613,387 2.602,388 1.661,389 2.238,391 4.635,392 1.548,393 2.668,394 1.881,395 3.782,396 2.131,397 1.217,398 1.745,400 2.703,401 1.105,402 2.236,403 1.799,404 3.617,405 2.095,406 1.133,407 1.218,409 2.517,410 1.074,411 2.196,412 1.298,413 3.482,414 1.959,415 1.123,416 1.182,417 2.361,418 0.932,419 1.788,420 1.116,421 3.417,422 1.557,423 0.659,424 0.721,425 1.779,426 0.586,427 1.576,428 1.012,429 2.958,430 1.27,431 0.396,432 0.452,433 0.652,434 0.342,435 1.522,436 0.916,437 2.875,438 1.193,439 0.349,440 0.373,441 0.603,442 0.292,443 1.445,444 0.775,445 2.859,446 1.142,447 0.273,448 0.328,449 0.479,450 0.212,451 13.981,452 0.466,453 0.636,454 0.021,455 42.75,456 1.425,457 21.5,458 0.717,459 21.25,460 0.708,461 22.538,462 0.751,463 32.819,464 0.67,465 33.18,466 1.106,467 8.895,468 0.297,469 5.727,470 0.191,471 0.158,473 0.358,478 0.947,479 1.48,480 0.594,481 1.151,482 0.846,483 0.917,484 1.349,485 0.854,486 0.723,487 0.638,488 1.112,489 0.614,490 0.934,491 1.271,492 0.919,493 1.068,494 0.911,495 0.983,496 0.851,497 1.159,498 1.021,499 1.212,500 0.847,501 1.149,502 1.208,503 0.985,504 1.012,505 0.901,506 1.161,507 1.002,508 0.918,509 1.176,510 1.133,511 1.121,512 1.002,513 1.148,514 0.7,515 0.924,516 0.736,517 0.832,518 0.723,519 0.815,520 0.767,521 0.912,522 0.834,523 0.839,524 0.877,525 0.908,526 6,527 0.184,528 3.111,529 2.375,530 1.951,531 0.938,532 0.516,533 0.368,534 0.283,535 0.172,536 11954,537 39731,538 2.087,539 38.8,541 14,542 2,543 1,544 2,549 1.728,550 1.957,551 3.45,552 0.309,558 88.362,559 1.803,560 3.51,561 4.219,562 4.609,563 4.747,564 4.956,565 2.856,566 4.415,567 4.884,568 3.66,569 1592.05,570 8.514,571 22382.1,573 1,576 275.121,577 1.4,578 4.839,579 0.182,580 0.007,581 0.068,582 0.048,583 0.042,584 0.022,585 0.014,586 0.011,587 0.009,588 0.007,589 0.409,590 0.33,591 1,592 0.883,593 154.511,594 -0.119,595 -0.303,596 0.035,597 -0.18,598 -0.12,599 -0.046,600 -0.175,601 0.198,602 0.081,603 0.304,604 -0.089,605 0.268,606 0.007,607 -0.135,608 -0.058,609 -0.104,610 -0.026,611 -0.105,612 0.102,613 -0.103,614 -0.081,615 -0.223,616 0.07,617 -0.218,618 -0.167,619 0.011,620 -0.082,621 0.054,622 -0.153,623 -0.055,624 -0.069,625 -0.173,626 -0.143,627 -0.143,628 -0.089,629 -0.157,630 0.107,631 0.035,632 0.232,633 0.106,634 0.188,635 0.222,636 0.112,637 0.093,638 0.059,639 0.085,640 0.061,641 0.075,642 1.359,643 2.215,644 0.7,645 27.484,646 1.029,647 1.129,648 2.022,649 4.089,650 0.678,651 3.526,652 3.85,653 4.159,654 4.443,655 4.625,656 4.673,657 4.762,658 4.868,659 4.89,660 4.97,661 6.98,662 0.667,663 430.88,664 3.526,665 5.069,666 5.932,667 6.819,668 7.696,669 8.585,670 9.466,671 10.356,672 11.237,673 12.128,674 8.2,682 2,684 2,690 6,691 2,695 10,697 18,709 2,714 5,715 1,716 49,718 18,719 2,720 33,722 52,723 20,724 16,725 8,726 4,728 4,729 5,730 1,740 16,741 4,757 1,760 19,761 9,762 2,763 10,764 1,769 4,775 0.75,776 5,788 1,793 1,794 3,797 1,819 3,823 3,824 1,827 30,833 1,834 2,835 5,849 1,850 10.2,855 5,858 15.333,859 9.876,860 6.806,861 2.484,863 3.512,864 1.448,865 0.972,866 6.335,867 11.351,868 3.761,869 4.376,870 4.965,871 5.53,872 6.038,873 6.228,874 6.511,875 6.893,876 7.209,877 7.565,878 1,879 49,880 10.975,881 4.557,882 7.793,883 20.512,884 16.011,885 2.293,886 68.778,889 1,890 200.109,891 135.186,892 69.593,893 39.149,894 54.999,897 135.186,898 294.257,899 69.593,900 32.649,901 6.65,902 47.381,903 45.342,904 134.871,905 28.198,906 164.795,907 39.149,908 200.109,909 204.779,910 54.999,911 39.149,913 200.109,914 54.999,917 51.29,918 119.917,919 72.72,921 200.109,922 124.592,923 174.335,926 200.109,927 46.537,928 88.649,929 36.022,930 127.719,931 200.109,932 124.592,933 174.335,935 0.573,936 0.357,937 0.205,938 0.107,939 22,940 10,941 0.135,942 7,943 1,944 1.095,945 4.093,946 269.419,947 0.095,948 21,949 139.207,954 20.804,955 9.135,956 4.37,958 124.592,959 10.206,960 8.512,964 5.53,966 36.022,967 499.036,968 42,980 50.436,981 55.306,983 0.321,984 0.625,985 0.751,986 0.821,987 0.845,988 0.883,989 5.001,990 1.661,991 5.916,992 5.466,993 4.533,994 5.063,995 2.353,996 6.744,997 4.374,998 6.208,999 1.217,1000 7.484,1001 4.635,1002 4.111,1003 4.913,1005 7.67,1006 3.87,1007 7.525,1008 1.133,1009 9.149,1010 2.703,1011 6.142,1012 7.276,1013 2.488,1014 10.774,1015 5.856,1016 8.878,1017 1.123,1018 10.872,1019 2.517,1020 6.553,1021 7.919,1023 12.521,1024 6.175,1025 10.262,1026 0.659,1027 12.633,1028 2.361,1029 8.029,1030 9.765,1031 2.891,1032 15.14,1033 7.619,1034 11.667,1035 0.396,1036 14.419,1037 1.779,1038 8.823,1039 10.778,1041 17.235,1042 8.323,1043 13.088,1044 0.349,1045 16.224,1046 0.652,1047 10.083,1048 12.405,1049 3.432,1050 19.689,1051 9.546,1052 3.145,1053 0.273,1054 18.044,1055 0.603,1056 11.058,1057 13.607,1059 21.933,1060 10.437,1061 3.067,1062 10.781,1063 19.876,1064 0.479,1065 12.232,1066 15.13,1067 4.039,1068 24.328,1069 11.566,1070 2.7,1071 10.263,1072 21.717,1073 4.173,1074 13.291,1075 16.432,1077 26.637,1078 12.546,1079 2.375,1080 8.009,1081 23.566,1082 4.108,1083 14.433,1084 17.902,1085 4.676,1086 29.01,1087 13.636,1088 2.218,1089 7.331,1090 25.422,1091 3.665,1092 15.53,1093 19.257,1095 31.348,1096 14.659,1097 2.061,1098 6.652,1099 27.283,1100 2.967,1101 16.662,1102 20.701,1103 5.327,1104 33.714,1105 15.732,1106 1.875,1107 6.118,1108 29.149,1109 2.879,1110 17.777,1111 22.084,1113 36.065,1114 16.776,1115 11419,1116 20991,1117 22.076,1118 33.244,1119 48.314,1120 50.61,1121 51.208,1122 48.493,1123 48.507,1124 62.303,1125 10.606,1126 140.695,1127 44.368,1128 5.346,1129 5.486,1130 6.235,1131 5.168,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.931,1137 14.671,1138 1.464,1139 1.534,1140 1.552,1141 1.469,1142 1.47,1143 1.888,1144 0.321,1145 4.263,1146 1.344,1147 4.006,1148 4.031,1149 4.057,1150 3.886,1151 5.094,1152 3.901,1153 3.929,1154 3.938,1155 3.919,1156 3.825,1157 5.001,1158 3.838,1159 3.774,1160 3.812,1161 3.748,1162 3.607,1163 4.941,1164 3.634,1165 3.311,1166 3.355,1167 3.495,1168 3.051,1169 4.709,1170 3.083,1171 3.303,1172 3.348,1173 3.158,1174 3.009,1175 4.58,1176 3.032,1177 3.273,1178 3.318,1179 3.144,1180 3.006,1181 4.468,1182 3.026,1183 3.199,1184 3.279,1185 2.981,1186 2.895,1187 4.306,1188 2.895,1189 3.043,1190 3.123,1191 2.934,1192 2.832,1193 4.095,1194 2.846,1195 0.136,1196 0.106,1197 0.203,1198 0.124,1199 0.095,1200 4.489,1201 0.126,1202 3.486,1203 0.042,1204 6.684,1205 0.327,1206 4.083,1207 0.089,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.931,1213 1.893,1214 1.874,1215 1.961,1216 2.043,1217 1.076,1218 2.018,1219 1.851,1220 1.84,1221 1.905,1222 1.965,1223 1.052,1224 1.949,1225 1.687,1226 1.647,1227 1.769,1228 1.85,1229 0.78,1230 1.832,1231 1.227,1232 1.163,1233 1.59,1234 1.558,1235 0.584,1236 1.565,1237 1.209,1238 1.147,1239 1.572,1240 1.528,1241 0.579,1242 1.536,1243 1.166,1244 1.123,1245 1.539,1246 1.516,1247 0.573,1248 1.5,1249 1.153,1250 1.068,1251 1.435,1252 1.472,1253 0.56,1254 1.48,1255 0.927,1256 0.847,1257 1.145,1258 1.218,1259 0.196,1260 1.206,1261 4.205,1263 5.525,1264 2.398,1265 7.05,1266 4.595,1267 8.672,1268 6.605,1269 10.343,1271 4.666,1272 6.326,1277 0.141,1278 6.367,1279 27.03,1289 32.702,1290 88.362,1291 171.973,1292 206.717,1293 225.837,1294 232.591,1295 242.856,1296 42.734,1297 7.839,1298 95.99,1299 95.99,1300 23,1301 12.658,1302 4.248,1303 3.322,1304 47.098,1305 128,1306 108,1307 0.18,1308 202.188,1309 351.82,1310 485.1,1311 29728,1312 2,1313 21.087,1314 0.703,1315 0.575,1316 21.587,1317 17.241,1318 14.622,1319 0.443,1320 0.28,1321 8.64,1322 13.37,1323 8.366,1324 6.973,1325 14.911,1326 9.246,1327 12.69,1328 0.276,1329 0.142,1330 13.06,1331 6.516,1332 11.158,1333 0.177,1334 0.074,1335 11.517,1336 4.661,1337 9.679,1338 0.115,1339 0.038,1340 9.954,1341 3.184,1342 7.621,1343 0.075,1344 0.021,1345 7.951,1346 2.092,1347 0.284,1348 97.795,1349 0.213,1350 28.29,1351 0.487,1352 158,1353 580.837,1354 197.177,1355 564.165,1356 762.18,1357 532,1358 188,1359 535.845,1360 225.025,1361 549.195,1362 804.88,1363 509,1364 5.595}
{0 CHEMBL253957,1 1.786,2 9.769,3 4.628,4 21.416,5 96.989,6 9.044,7 0.621,8 3.87,9 3.962,10 3.599,11 3.381,12 5.064,13 3.41,14 4.357,15 4.481,16 3.966,17 3.728,18 5.567,19 3.747,20 4.47,21 4.624,22 4.025,23 3.802,24 5.634,25 3.795,26 4.501,27 4.659,28 3.967,29 3.768,30 5.653,31 3.747,32 4.518,33 4.716,34 3.949,35 3.759,36 5.667,37 3.718,38 4.45,39 4.658,40 3.818,41 3.702,42 5.542,43 3.655,44 4.34,45 4.526,46 3.718,47 3.568,48 5.5,49 3.537,50 4.22,51 4.421,52 3.406,53 3.435,54 5.237,55 3.355,56 0.135,57 0.609,58 5.772,59 3.319,60 7.146,61 3.491,62 0.511,63 0.93,64 12.814,65 5.594,66 26.342,67 5.764,68 0.461,69 1.037,70 16.349,71 6.071,72 25.543,73 6.917,74 0.59,75 1.036,76 19.138,77 6.509,78 32.687,79 7.065,80 0.643,81 1.051,82 19.977,83 6.42,84 39.962,85 7.778,86 0.444,87 0.965,88 21.648,89 6.821,90 32.188,91 8.606,92 0.548,93 0.879,94 16.255,95 5.076,96 34.532,97 5.954,98 0.405,99 0.755,100 14.697,101 5.375,102 24.327,103 6.603,104 6,105 40,106 0.312,107 0.625,108 0.789,109 0.89,110 0.907,111 0.907,112 3.304,113 0.849,114 -3.88,115 -3.84,116 -3.64,118 43.9,123 1,125 1,138 7,140 6,141 1,143 1,146 1,167 4,170 2,171 4,173 3,175 2,178 3,182 4,184 2,186 4,188 2,192 5,195 2,196 1,197 3,203 3,204 8,211 2,214 1,215 4,220 1,223 2,227 1,228 3,231 2,233 4,235 2,239 1,240 1,243 1,245 2,247 1,252 1,260 2,264 962,265 18.024,266 18.024,267 18.024,268 18.024,269 18.024,270 15.745,271 26.284,272 10.684,273 18.686,274 14.281,275 14.281,276 14.281,277 14.281,278 14.281,279 10.846,280 43.305,281 4.988,282 15.349,283 3.571,284 1.775,285 0.839,286 0.262,287 0.165,288 0.165,289 4.005,290 1,293 1,294 1,295 558,296 2.646,299 55.013,300 228.879,303 102.144,307 1.592,308 23.789,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 57.333,320 254,321 4.489,322 3.486,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.235,331 3.125,332 6.162,333 3.834,334 2.889,335 3.843,336 0.86,337 9.138,338 2.73,339 4.011,340 2.934,341 5.687,342 3.55,343 2.62,344 3.615,345 0.532,346 7.791,347 2.432,348 3.623,349 2.733,350 5.509,351 3.225,352 2.326,353 2.945,354 0.4,355 7.125,356 2.064,357 3.337,358 2.324,359 4.979,360 2.927,361 2.015,362 2.597,363 0.4,364 5.857,365 1.816,366 3.051,367 2.058,368 4.619,369 2.624,370 1.682,371 2.254,373 4.65,374 1.564,375 2.917,376 1.847,377 4.298,378 2.473,379 1.528,380 2.089,382 3.977,383 1.44,384 2.849,385 1.789,386 3.635,387 2.393,388 1.418,389 1.985,391 3.026,392 1.377,393 2.656,394 1.476,395 3.606,396 2.138,397 1.19,398 1.729,400 2.662,401 1.118,402 2.236,403 1.271,404 3.482,405 2.095,406 1.125,407 1.218,409 2.513,410 1.075,411 1.788,412 1.113,413 3.417,414 1.555,415 0.659,416 0.721,417 1.779,418 0.584,419 1.738,420 0.94,421 2.963,422 1.425,423 0.534,424 0.624,425 0.918,426 0.471,427 1.522,428 0.775,429 2.895,430 1.14,431 0.274,432 0.328,433 0.65,434 0.212,435 1.242,436 0.259,437 2.62,438 0.915,443 0.89,444 -0.048,445 2.528,446 0.466,447 -0.421,448 -0.517,449 -1.042,450 -0.336,451 12.314,452 0.474,453 0.516,454 0.02,455 38.75,456 1.49,457 20.5,458 0.788,459 18.25,460 0.702,461 17.191,462 0.661,463 27.286,464 0.666,465 27.188,466 1.046,467 7.91,468 0.304,469 4.831,470 0.186,471 0.099,473 0.325,478 0.924,479 1.355,480 0.569,481 1.007,482 0.842,483 0.833,484 1.146,485 0.944,486 0.717,487 0.794,488 0.971,489 0.783,490 0.953,491 1.251,492 0.917,493 1.037,494 0.923,495 0.973,496 1.147,497 1.17,498 1.148,499 1.11,500 1.137,501 1.091,502 0.82,503 0.949,504 0.89,505 0.858,506 0.845,507 0.918,508 0.84,509 1.098,510 1.019,511 0.981,512 0.939,513 0.898,514 0.963,515 0.946,516 1.029,517 0.965,518 1.108,519 1.031,520 0.873,521 1.09,522 0.988,523 1.09,524 0.945,525 1.171,526 4.5,527 0.116,528 2.667,529 1.5,530 1.489,531 0.535,532 0.416,533 0.248,534 0.176,535 0.164,536 8294,537 26183,538 2.148,539 36.6,541 10,542 2,543 1,544 2,549 1.691,550 2.053,551 3.281,552 0.327,558 73.243,559 1.786,560 3.583,561 4.518,562 5.095,563 5.193,564 5.193,565 2.623,566 4.316,567 4.678,568 3.474,569 1129.05,570 8.101,571 14217.2,573 1,576 219.66,577 1.239,578 4.65,579 0.155,580 0.005,581 0.067,582 0.038,583 0.041,584 0.016,585 0.013,586 0.009,587 0.008,588 0.009,589 0.36,590 0.33,591 1,592 0.646,593 127.119,594 -0.116,595 -0.228,596 0.024,597 -0.109,598 -0.148,599 -0.014,600 -0.026,601 0.117,602 0.023,603 0.119,604 -0.024,605 0.064,606 -0.036,607 -0.178,608 -0.021,609 -0.114,610 -0.019,611 -0.084,612 -0.093,613 -0.136,614 -0.148,615 -0.169,616 -0.127,617 -0.191,618 0.08,619 0.095,620 0.073,621 0.075,622 0.12,623 0.033,624 -0.017,625 -0.125,626 0.059,627 0.012,628 0.047,629 0.126,630 0.004,631 0.123,632 -0.118,633 -0.058,634 -0.102,635 -0.124,636 -0.009,637 -0.127,638 -0.109,639 -0.123,640 -0.087,641 -0.166,642 1.339,643 2.182,644 0.808,645 20.923,646 1.025,647 1.123,648 2.653,649 7.038,650 0.703,651 3.401,652 3.714,653 4.007,654 4.277,655 4.466,656 4.489,657 4.575,658 4.691,659 4.718,660 4.787,661 6.211,662 0.688,663 370.82,664 3.401,665 4.934,666 5.79,667 6.666,668 7.535,669 8.415,670 9.289,671 10.17,672 11.047,673 11.929,674 9.8,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 3,715 1,716 41,718 18,719 2,720 29,722 44,723 18,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 2,757 1,760 15,761 7,762 2,763 8,764 1,769 4,775 0.75,776 3,788 1,793 1,794 3,797 1,819 3,823 1,824 1,827 26,833 1,834 2,835 3,849 1,850 7.3,855 3,858 12.667,859 7.71,860 5.778,861 2.183,863 3.506,864 1.466,865 1.005,866 4.903,867 11.032,868 3.664,869 4.27,870 4.842,871 5.393,872 5.908,873 6.037,874 6.335,875 6.74,876 7.058,877 7.378,878 1,879 40,880 9.514,881 4,882 7.748,883 17.894,884 14.223,885 2.248,886 58.444,889 1,890 153.024,891 121.886,892 69.593,893 39.149,894 33,897 121.886,898 225.173,899 69.593,900 10.883,901 6.65,902 66.334,903 45.342,904 102.813,905 27.769,906 117.711,907 39.149,908 153.024,909 191.478,910 33,911 39.149,913 153.024,914 33,917 53.618,918 104.289,919 72.72,921 153.024,922 102.592,923 161.034,926 153.024,927 35.622,928 86.264,929 36.022,930 105.719,931 153.024,932 102.592,933 161.034,935 0.574,936 0.347,937 0.194,938 0.102,939 20,940 8,941 0.114,942 5,943 1,944 1.095,945 3.848,946 221.253,947 0.095,948 21,949 122.211,954 17.058,955 7.473,956 3.618,958 102.592,959 14.418,960 8.701,964 4.749,966 36.022,967 416.651,968 38,980 42.014,981 46.057,983 0.333,984 0.669,985 0.843,986 0.951,987 0.969,988 0.969,989 4.887,990 1.418,991 5.759,992 3.977,993 4.394,994 4.956,995 2.022,996 6.561,997 4.252,998 6.084,999 1.19,1000 7.307,1001 3.026,1002 3.892,1003 4.691,1005 7.434,1006 3.633,1007 7.386,1008 1.125,1009 8.956,1010 2.662,1011 5.974,1012 7.142,1013 2.288,1014 10.543,1015 5.699,1016 8.726,1017 0.659,1018 10.667,1019 2.513,1020 6.33,1021 7.696,1023 12.269,1024 5.936,1025 10.097,1026 0.534,1027 12.417,1028 1.779,1029 7.838,1030 9.601,1031 2.797,1032 14.878,1033 7.431,1034 11.491,1035 0.274,1036 14.195,1037 0.918,1038 8.595,1039 10.545,1041 16.957,1042 8.082,1043 12.901,1045 15.992,1046 0.65,1047 9.869,1048 12.207,1049 3.392,1050 19.4,1051 9.329,1052 3.145,1053 -0.421,1054 17.806,1056 10.817,1057 13.356,1059 21.635,1060 10.184,1061 2.889,1062 10.781,1063 19.63,1064 -1.042,1065 11.994,1066 14.896,1067 4.023,1068 24.021,1069 11.32,1070 2.62,1071 9.138,1072 21.465,1073 4.173,1074 13.033,1075 16.157,1077 26.326,1078 12.275,1079 2.326,1080 7.791,1081 23.307,1082 3.843,1083 14.173,1084 17.632,1085 4.67,1086 28.695,1087 13.363,1088 2.015,1089 7.125,1090 25.157,1091 3.615,1092 15.256,1093 18.956,1095 31.033,1096 14.368,1097 1.682,1098 5.857,1099 27.012,1100 2.945,1101 16.383,1102 20.399,1103 5.325,1104 33.399,1105 15.436,1106 1.528,1107 4.65,1108 28.871,1109 2.597,1110 17.488,1111 21.76,1113 35.753,1114 16.466,1115 7802,1116 14032,1117 19.879,1118 28.813,1119 42.837,1120 44.283,1121 44.145,1122 42.899,1123 42.809,1124 56.241,1125 7.166,1126 121.734,1127 39.628,1128 5.346,1129 5.486,1130 6.378,1131 5.162,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 9.31,1138 1.477,1139 1.527,1140 1.522,1141 1.479,1142 1.476,1143 1.939,1144 0.247,1145 4.198,1146 1.366,1147 3.998,1148 4.026,1149 4.056,1150 3.882,1151 5.09,1152 3.895,1153 3.914,1154 3.933,1155 3.885,1156 3.822,1157 4.99,1158 3.826,1159 3.765,1160 3.807,1161 3.727,1162 3.608,1163 4.839,1164 3.631,1165 3.306,1166 3.326,1167 3.495,1168 3.051,1169 4.709,1170 3.082,1171 3.249,1172 3.315,1173 3.065,1174 2.974,1175 4.39,1176 2.984,1177 3.115,1178 3.193,1179 3.028,1180 2.901,1181 4.138,1182 2.92,1183 2.983,1184 3.059,1185 2.923,1186 2.803,1187 4.041,1188 2.81,1189 2.779,1190 2.854,1191 2.853,1192 2.639,1193 3.98,1194 2.618,1195 0.155,1196 0.12,1197 0.23,1198 0.141,1199 0.108,1200 4.489,1201 0.144,1202 3.486,1203 0.048,1204 6.684,1205 0.372,1206 4.083,1207 0.101,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.895,1214 1.868,1215 1.994,1216 2.038,1217 1.068,1218 2.02,1219 1.856,1220 1.84,1221 1.913,1222 1.958,1223 1.054,1224 1.953,1225 1.692,1226 1.648,1227 1.784,1228 1.844,1229 0.776,1230 1.833,1231 1.197,1232 1.133,1233 1.573,1234 1.522,1235 0.578,1236 1.533,1237 1.166,1238 1.125,1239 1.435,1240 1.513,1241 0.574,1242 1.486,1243 1.034,1244 0.964,1245 1.237,1246 1.295,1247 0.275,1248 1.285,1249 0.889,1250 0.813,1251 1.129,1252 1.158,1253 0.179,1254 1.158,1255 0.805,1256 0.782,1257 1.089,1258 0.994,1259 0.149,1260 1.034,1261 4.078,1263 5.389,1264 2.398,1265 6.903,1266 4.595,1267 8.51,1268 6.605,1269 10.164,1271 1.611,1272 6.293,1277 0.161,1278 6.308,1279 16.202,1289 28.218,1290 73.243,1291 146.889,1292 185.253,1293 208.905,1294 212.905,1295 212.905,1296 31.245,1297 7.526,1298 77.53,1299 77.53,1300 23,1301 12.464,1302 4.248,1303 3.322,1304 38.048,1305 98,1306 84,1307 0.189,1308 175.011,1309 299.64,1310 418.787,1311 20412,1312 2.4,1313 17.933,1314 0.69,1315 0.561,1316 18.433,1317 14.579,1318 12.742,1319 0.439,1320 0.283,1321 7.683,1322 11.8,1323 7.503,1324 6.218,1325 13.03,1326 8.204,1327 11.156,1328 0.279,1329 0.144,1330 11.527,1331 5.779,1332 9.715,1333 0.18,1334 0.075,1335 10.074,1336 4.065,1337 8.283,1338 0.117,1339 0.039,1340 8.558,1341 2.746,1342 6.548,1343 0.076,1344 0.021,1345 6.878,1346 1.78,1347 0.297,1348 84.235,1349 0.224,1350 25.039,1351 0.52,1352 138,1353 469.366,1354 171.809,1355 471.261,1356 641.7,1357 444,1358 163,1359 456.106,1360 194.047,1361 468.003,1362 688.38,1363 438,1364 5.411}
{0 CHEMBL254157,1 1.73,2 9.68,3 5.13,4 26.32,5 95.567,6 8.87,7 0.643,8 3.835,9 3.934,10 3.553,11 3.384,12 5.003,13 3.396,14 4.324,15 4.456,16 3.933,17 3.745,18 5.511,19 3.742,20 4.464,21 4.63,22 3.973,23 3.819,24 5.588,25 3.787,26 4.504,27 4.691,28 3.895,29 3.764,30 5.605,31 3.713,32 4.475,33 4.695,34 3.883,35 3.709,36 5.571,37 3.656,38 4.348,39 4.549,40 3.749,41 3.645,42 5.467,43 3.602,44 4.25,45 4.421,46 3.646,47 3.555,48 5.39,49 3.5,50 4.206,51 4.435,52 3.317,53 3.401,54 5.177,55 3.299,56 0.088,57 0.596,58 5.903,59 3.214,60 6.253,61 3.583,62 0.386,63 0.93,64 12.392,65 5.542,66 21.835,67 6.221,68 0.333,69 1.057,70 16.71,71 6.223,72 22.331,73 7.453,74 0.5,75 1.062,76 20.517,77 6.693,78 31.336,79 7.9,80 0.488,81 1.013,82 20.964,83 6.583,84 35.612,85 8.347,86 0.379,87 0.906,88 19.284,89 5.689,90 30.99,91 6.916,92 0.37,93 0.821,94 14.108,95 5.044,96 25.356,97 6.077,98 0.349,99 0.758,100 15.659,101 5.348,102 24.051,103 6.92,104 5,105 39,106 0.304,107 0.639,108 0.791,109 0.895,110 0.904,111 0.904,112 3.267,113 0.867,114 -4.64,115 -4.56,116 -4.29,118 45,119 1,125 1,138 7,139 1,140 5,141 1,143 1,146 1,167 6,170 2,171 3,173 3,175 3,178 6,182 2,184 1,186 5,188 5,192 6,195 2,196 1,197 3,199 1,203 1,204 10,211 2,214 1,215 4,220 2,223 3,227 1,228 2,231 1,233 5,235 3,239 1,240 1,243 1,245 2,247 1,252 2,260 4,264 871,265 17.154,266 17.154,267 17.154,268 17.154,269 17.154,270 14.822,271 24.333,272 10.164,273 17.643,274 13.843,275 13.843,276 13.843,277 13.843,278 13.843,279 10.419,280 40.451,281 4.84,282 14.731,283 3.592,284 1.682,285 0.81,286 0.219,287 0.169,288 0.169,289 3.967,290 1,293 1,294 1,295 535,296 2.449,299 52.461,300 218.441,303 97.486,307 1.584,308 20.493,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 54.333,320 242,321 4.489,322 3.486,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.213,331 3.035,332 6.067,333 3.822,334 2.859,335 3.823,336 0.532,337 8.787,338 2.766,339 4.002,340 2.928,341 5.684,342 3.546,343 2.605,344 3.608,345 0.4,346 7.742,347 2.436,348 3.622,349 2.695,350 5.497,351 3.224,352 2.323,353 2.945,354 0.4,355 7.094,356 2.065,357 3.332,358 2.276,359 4.96,360 2.922,361 2.004,362 2.595,364 5.795,365 1.816,366 3.051,367 2.037,368 4.617,369 2.623,370 1.678,371 2.254,373 4.646,374 1.564,375 2.878,376 1.815,377 4.129,378 2.414,379 1.419,380 2.049,382 3.671,383 1.414,384 2.82,385 1.584,386 3.624,387 2.389,388 1.414,389 1.946,391 2.971,392 1.373,393 2.656,394 1.462,395 3.593,396 2.138,397 1.189,398 1.728,400 2.662,401 1.118,402 2.236,403 1.269,404 3.482,405 2.095,406 1.125,407 1.218,409 2.513,410 1.075,411 1.788,412 1.113,413 3.417,414 1.555,415 0.659,416 0.721,417 1.779,418 0.584,419 1.522,420 0.775,421 2.957,422 1.149,423 0.274,424 0.329,425 0.654,426 0.213,427 1.46,428 0.384,429 2.868,430 1.136,431 0.187,432 0.23,433 0.446,434 0.178,435 0.953,436 -0.048,437 2.53,438 0.564,439 -0.381,440 -0.479,441 -0.899,442 -0.325,443 0.83,444 -0.189,445 2.189,446 0.433,447 -0.468,448 -0.567,449 -1.223,450 -0.416,451 11.981,452 0.479,453 0.554,454 0.022,455 37.25,456 1.49,457 20,458 0.8,459 17.25,460 0.69,461 16.859,462 0.674,463 25.819,464 0.645,465 25.15,466 1.006,467 7.467,468 0.299,469 4.737,470 0.189,471 0.101,473 0.334,478 0.897,479 1.294,480 0.574,481 0.947,482 0.841,483 0.816,484 0.958,485 0.97,486 0.679,487 0.841,488 0.819,489 0.825,490 0.924,491 1.299,492 0.932,493 1.086,494 0.923,495 1.033,496 1.044,497 1.101,498 1.124,499 1.088,500 1.082,501 1.087,502 0.834,503 0.984,504 0.798,505 0.824,506 0.803,507 0.821,508 1.12,509 0.949,510 1.161,511 0.854,512 1.27,513 0.834,514 0.872,515 1.179,516 1.046,517 1.207,518 0.971,519 1.216,520 0.832,521 0.964,522 0.957,523 0.995,524 0.917,525 1.083,526 4.5,527 0.099,528 2.667,529 1.5,530 1.449,531 0.472,532 0.416,533 0.233,534 0.156,535 0.164,536 7531,537 22230,538 2.154,539 37.5,540 3,541 7,542 2,543 1,544 2,549 1.68,550 2.055,551 3.255,552 0.312,558 69.215,559 1.73,560 3.64,561 4.512,562 5.103,563 5.153,564 5.153,565 2.628,566 4.404,567 4.621,568 3.437,569 1031.16,570 7.985,571 12560.6,576 212.877,577 1.26,578 4.592,579 0.161,580 0.005,581 0.068,582 0.039,583 0.044,584 0.015,585 0.013,586 0.009,587 0.008,588 0.009,589 0.372,590 0.17,591 1,592 0.477,593 120.471,594 -0.099,595 -0.178,596 0.022,597 -0.066,598 -0.156,599 0.004,600 0.112,601 0.092,602 0.049,603 0.064,604 0.083,605 0.029,606 -0.034,607 -0.237,608 -0.04,609 -0.167,610 -0.035,611 -0.135,612 -0.008,613 -0.071,614 -0.11,615 -0.148,616 -0.08,617 -0.163,618 0.097,619 0.02,620 0.202,621 0.133,622 0.21,623 0.165,624 -0.148,625 0.088,626 -0.071,627 0.1,628 -0.149,629 0.114,630 0.077,631 -0.14,632 -0.157,633 -0.281,634 -0.029,635 -0.308,636 0.034,637 0.001,638 -0.056,639 -0.029,640 -0.05,641 -0.068,642 1.325,643 2.18,644 0.84,645 19.606,646 1.017,647 1.121,648 3.412,649 11.642,650 0.709,651 3.367,652 3.689,653 3.97,654 4.234,655 4.431,656 4.443,657 4.533,658 4.654,659 4.682,660 4.727,661 6.034,662 0.688,663 354.82,664 3.367,665 4.905,666 5.759,667 6.635,668 7.503,669 8.382,670 9.255,671 10.135,672 11.011,673 11.893,674 10,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 1,716 40,718 18,719 2,720 28,722 43,723 18,724 16,725 6,726 6,728 4,729 5,730 1,732 1,740 16,741 2,760 15,761 6,762 2,763 7,764 1,769 4,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,823 1,824 1,827 25,833 1,834 2,835 2,849 1,850 5,855 2,858 12.167,859 7.543,860 5.444,861 2.225,863 3.45,864 1.464,865 1.019,866 4.444,867 10.884,868 3.638,869 4.256,870 4.818,871 5.365,872 5.885,873 6.001,874 6.295,875 6.715,876 7.035,877 7.338,878 1,879 38,880 9.16,881 3.872,882 7.698,883 17.359,884 13.979,885 2.198,886 54.944,889 1,890 153.024,891 117.77,892 69.593,893 39.149,894 22,897 117.77,898 214.173,899 69.593,900 8.825,901 6.65,902 66.334,903 45.342,904 89.755,905 27.769,906 117.711,907 39.149,908 153.024,909 187.363,910 22,911 39.149,913 153.024,914 22,917 62.443,918 91.348,919 72.72,921 153.024,922 91.592,923 156.919,926 153.024,927 33.564,928 84.206,929 36.022,930 94.719,931 153.024,932 91.592,933 156.919,935 0.581,936 0.344,937 0.188,938 0.1,939 20,940 8,941 0.093,942 4,943 1,944 1.095,945 3.774,946 210.087,947 0.095,948 21,949 114.096,954 16.148,955 6.881,956 3.396,958 91.592,959 14.909,960 8.744,964 5.526,966 36.022,967 401.535,968 37,980 40.687,981 44.847,983 0.325,984 0.684,985 0.848,986 0.959,987 0.968,988 0.968,989 4.864,990 1.414,991 5.733,992 3.671,993 4.369,994 4.942,995 1.805,996 6.532,997 4.245,998 6.068,999 1.189,1000 7.281,1001 2.971,1002 3.892,1003 4.691,1005 7.391,1006 3.664,1007 7.372,1008 1.125,1009 8.93,1010 2.662,1011 5.948,1012 7.131,1013 2.17,1014 10.501,1015 5.705,1016 8.712,1017 0.659,1018 10.638,1019 2.513,1020 6.312,1021 7.685,1023 12.212,1024 5.967,1025 10.082,1026 0.274,1027 12.386,1028 1.779,1029 7.811,1030 9.59,1031 2.746,1032 14.826,1033 7.45,1034 11.475,1035 0.187,1036 14.161,1037 0.654,1038 8.569,1039 10.531,1041 16.897,1042 8.117,1043 12.884,1044 -0.381,1045 15.957,1046 0.446,1047 9.839,1048 12.194,1049 3.372,1050 19.344,1051 9.359,1052 3.145,1053 -0.468,1054 17.767,1055 -0.899,1056 10.786,1057 13.34,1059 21.577,1060 10.224,1061 2.859,1062 10.781,1063 19.59,1064 -1.223,1065 11.962,1066 14.881,1067 4.015,1068 23.968,1069 11.359,1070 2.605,1071 8.787,1072 21.423,1073 4.173,1074 13,1075 16.139,1077 26.275,1078 12.32,1079 2.323,1080 7.742,1081 23.264,1082 3.823,1083 14.139,1084 17.616,1085 4.667,1086 28.648,1087 13.408,1088 2.004,1089 7.094,1090 25.112,1091 3.608,1092 15.221,1093 18.939,1095 30.99,1096 14.417,1097 1.678,1098 5.795,1099 26.966,1100 2.945,1101 16.349,1102 20.382,1103 5.323,1104 33.36,1105 15.485,1106 1.419,1107 4.646,1108 28.825,1109 2.595,1110 17.454,1111 21.742,1113 35.718,1114 16.518,1115 7048,1116 12296,1117 19.186,1118 28.358,1119 41.781,1120 42.959,1121 42.729,1122 41.86,1123 41.767,1124 55.238,1125 5.446,1126 119.078,1127 39.064,1128 5.346,1129 5.486,1130 6.371,1131 5.161,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 8.92,1138 1.492,1139 1.534,1140 1.526,1141 1.495,1142 1.492,1143 1.973,1144 0.195,1145 4.253,1146 1.395,1147 4.001,1148 4.032,1149 4.056,1150 3.891,1151 5.087,1152 3.9,1153 3.922,1154 3.944,1155 3.888,1156 3.844,1157 4.984,1158 3.845,1159 3.768,1160 3.812,1161 3.728,1162 3.61,1163 4.734,1164 3.634,1165 3.306,1166 3.326,1167 3.495,1168 3.051,1169 4.707,1170 3.082,1171 3.172,1172 3.258,1173 3.036,1174 3.027,1175 4.138,1176 3.005,1177 3.109,1178 3.19,1179 2.958,1180 2.898,1181 4.041,1182 2.916,1183 2.981,1184 3.058,1185 2.922,1186 2.802,1187 3.984,1188 2.809,1189 2.708,1190 2.788,1191 2.849,1192 2.548,1193 3.888,1194 2.543,1195 0.16,1196 0.124,1197 0.239,1198 0.146,1199 0.112,1200 4.489,1201 0.149,1202 3.486,1203 0.05,1204 6.684,1205 0.385,1206 4.083,1207 0.105,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.922,1214 1.891,1215 2.039,1216 2.045,1217 1.137,1218 2.038,1219 1.861,1220 1.845,1221 1.914,1222 1.965,1223 1.056,1224 1.961,1225 1.694,1226 1.65,1227 1.786,1228 1.847,1229 0.777,1230 1.836,1231 1.209,1232 1.133,1233 1.552,1234 1.522,1235 0.604,1236 1.486,1237 1.166,1238 1.128,1239 1.435,1240 1.418,1241 0.578,1242 1.469,1243 1.029,1244 0.958,1245 1.236,1246 1.293,1247 0.272,1248 1.283,1249 0.889,1250 0.813,1251 1.129,1252 1.157,1253 0.179,1254 1.158,1255 0.78,1256 0.782,1257 1.028,1258 0.951,1259 0.067,1260 0.976,1261 4.043,1263 5.361,1264 2.398,1265 6.876,1266 4.595,1267 8.482,1268 6.605,1269 10.134,1271 2.023,1272 6.291,1277 0.175,1278 6.399,1279 10.878,1289 27.504,1290 69.215,1291 145.616,1292 180.471,1293 204.122,1294 206.122,1295 206.122,1296 29.045,1297 7.433,1298 68.3,1299 68.3,1300 23,1301 12.429,1302 4.248,1303 3.322,1304 35.944,1305 91,1306 81,1307 0.192,1308 171.015,1309 290.85,1310 409.037,1311 18037,1312 2.5,1313 17.225,1314 0.689,1315 0.567,1316 17.725,1317 14.171,1318 12.204,1319 0.436,1320 0.289,1321 7.612,1322 11.415,1323 7.405,1324 6.145,1325 12.492,1326 8.092,1327 10.965,1328 0.281,1329 0.151,1330 11.336,1331 5.894,1332 9.414,1333 0.181,1334 0.079,1335 9.772,1336 4.104,1337 7.894,1338 0.116,1339 0.04,1340 8.169,1341 2.711,1342 6.322,1343 0.076,1344 0.021,1345 6.652,1346 1.775,1347 0.301,1348 79.892,1349 0.228,1350 24.218,1351 0.529,1352 134,1353 421.63,1354 164.93,1355 433.694,1356 593.8,1357 408,1358 158,1359 425.561,1360 186.002,1361 438.931,1362 645.85,1363 412,1364 4.855}
{0 CHEMBL254588,1 1.782,2 10.423,3 4.523,4 20.458,5 96.264,6 9.626,7 0.621,8 3.798,9 3.888,10 3.578,11 3.366,12 5.066,13 3.395,14 4.265,15 4.374,16 3.95,17 3.723,18 5.531,19 3.736,20 4.425,21 4.584,22 3.989,23 3.793,24 5.64,25 3.778,26 4.421,27 4.593,28 3.929,29 3.707,30 5.656,31 3.687,32 4.353,33 4.54,34 3.902,35 3.653,36 5.611,37 3.634,38 4.269,39 4.444,40 3.774,41 3.612,42 5.496,43 3.585,44 4.206,45 4.376,46 3.697,47 3.511,48 5.495,49 3.486,50 4.106,51 4.308,52 3.412,53 3.37,54 5.232,55 3.31,56 0.127,57 0.579,58 4.039,59 2.781,60 9.478,61 2.655,62 0.414,63 0.893,64 8.501,65 4.764,66 20.968,67 4.569,68 0.405,69 1.033,70 13.607,71 5.655,72 25.735,73 5.93,74 0.535,75 1.004,76 16.79,77 5.907,78 40.071,79 6.126,80 0.525,81 0.948,82 14.821,83 5.171,84 39.474,85 5.334,86 0.375,87 0.851,88 15.815,89 5.333,90 35.724,91 5.908,92 0.447,93 0.814,94 12.091,95 4.501,96 33.01,97 4.763,98 0.349,99 0.708,100 12.605,101 4.793,102 25.016,103 5.749,104 6,105 40,106 0.313,107 0.654,108 0.802,109 0.911,110 0.911,111 0.911,112 3.304,113 0.834,114 -3.81,115 -3.77,116 -3.58,118 47.4,125 1,138 7,139 1,140 5,141 1,143 1,146 1,153 1,167 5,170 2,171 4,173 3,175 3,178 5,182 4,184 1,186 4,188 3,192 7,195 2,196 1,197 3,203 1,204 9,206 1,211 2,214 1,215 4,220 2,223 3,227 3,228 2,231 1,233 4,235 2,239 1,240 1,243 1,245 2,247 1,252 3,255 1,260 4,264 982,265 17.972,266 17.972,267 17.972,268 17.972,269 17.972,270 15.628,271 27.064,272 10.644,273 18.475,274 14.293,275 14.293,276 14.293,277 14.293,278 14.293,279 10.684,280 45.06,281 5.005,282 15.205,283 3.465,284 1.517,285 0.675,286 0.053,287 0.053,288 0.053,289 4.005,290 1,293 1,294 1,295 596,296 2.646,299 55.747,300 231.554,303 103.551,307 1.698,308 25.608,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 56.833,320 271,321 4.489,322 4.058,323 6.684,324 4.082,325 3.145,326 4.173,327 2.035,328 10.781,329 2.93,330 4.173,331 3.486,332 5.745,333 3.734,334 2.783,335 3.774,336 1.392,337 8.161,338 2.672,339 4.027,340 2.953,341 5.64,342 3.545,343 2.591,344 3.615,345 0.532,346 7.588,347 2.447,348 3.648,349 2.877,350 5.457,351 3.245,352 2.336,353 2.95,354 0.4,355 7.091,356 2.118,357 3.568,358 2.625,359 5.08,360 3.068,361 2.126,362 2.787,363 0.4,364 6.158,365 1.969,366 3.284,367 2.32,368 4.745,369 2.774,370 1.836,371 2.49,373 5.21,374 1.699,375 3.048,376 2.082,377 4.609,378 2.604,379 1.658,380 2.24,382 4.629,383 1.552,384 2.907,385 1.906,386 3.623,387 2.215,388 1.24,389 1.812,391 2.711,392 1.209,393 2.665,394 1.8,395 3.501,396 2.134,397 1.173,398 1.719,400 2.6,401 1.116,402 2.609,403 1.311,404 3.477,405 2.095,406 1.125,407 1.218,409 2.512,410 1.075,411 2.236,412 1.204,413 3.417,414 1.555,415 0.659,416 0.877,417 1.779,418 0.584,419 1.788,420 1.113,421 2.961,422 1.375,423 0.431,424 0.721,425 0.652,426 0.405,427 1.522,428 0.775,429 2.881,430 1.141,431 0.274,432 0.329,433 0.627,434 0.212,435 1.293,436 0.155,437 2.671,438 0.94,443 0.895,444 -0.049,445 2.53,446 0.462,447 -0.424,448 -0.52,449 -1.085,450 -0.337,451 12.381,452 0.476,453 0.533,454 0.021,455 41,456 1.577,457 23,458 0.885,459 18,460 0.692,461 15.974,462 0.614,463 26.019,464 0.685,465 28.109,466 1.081,467 8.126,468 0.313,469 4.599,470 0.177,471 0.09,473 0.323,478 0.909,479 1.232,480 0.54,481 0.9,482 0.627,483 0.754,484 0.989,485 0.954,486 0.707,487 0.86,488 0.628,489 0.854,490 0.953,491 1.223,492 0.965,493 1.07,494 0.779,495 1.037,496 1.07,497 1.11,498 1.14,499 1.081,500 1.097,501 1.059,502 0.982,503 0.915,504 0.939,505 0.828,506 0.928,507 0.876,508 1.028,509 1.13,510 1.204,511 1.046,512 1.071,513 0.971,514 0.877,515 0.931,516 1.03,517 1.056,518 0.724,519 1.099,520 0.79,521 1.046,522 0.918,523 1.035,524 0.77,525 1.083,526 5,527 0.106,528 2.222,529 1.625,530 1.329,531 0.59,532 0.394,533 0.259,534 0.188,535 0.12,536 8462,537 28621,538 2.148,539 31.6,541 7,542 2,543 1,544 2,549 1.69,550 2.053,551 3.356,552 0.327,558 67.733,559 1.782,560 3.731,561 4.573,562 5.195,563 5.195,564 5.195,565 2.738,566 4.393,567 4.676,568 3.538,569 1149.91,570 8.093,571 14494.8,573 1,576 199.421,577 1.239,578 4.65,579 0.172,580 0.006,581 0.056,582 0.042,583 0.038,584 0.018,585 0.012,586 0.009,587 0.009,588 0.006,589 0.367,590 0.33,591 1,592 0.646,593 127.619,594 -0.13,595 -0.169,596 0.01,597 -0.061,598 -0.06,599 0.006,600 0.054,601 0.072,602 -0.022,603 0.024,604 -0.006,605 -0.046,606 -0.075,607 -0.198,608 -0.059,609 -0.146,610 -0.055,611 -0.126,612 -0.029,613 -0.109,614 -0.084,615 -0.121,616 -0.101,617 -0.11,618 -0.002,619 0.126,620 0.068,621 0.115,622 -0.003,623 0.074,624 -0.104,625 -0.155,626 -0.087,627 -0.055,628 -0.116,629 0.019,630 0.101,631 0.099,632 -0.104,633 -0.126,634 0.101,635 -0.175,636 0.08,637 -0.117,638 0.023,639 -0.025,640 0.047,641 -0.006,642 1.351,643 2.986,644 0.808,645 21.633,646 1.027,647 1.119,648 2.579,649 6.651,650 0.733,651 3.401,652 3.714,653 3.989,654 4.263,655 4.454,656 4.489,657 4.575,658 4.691,659 4.71,660 4.779,661 6.368,662 0.723,663 365.8,664 3.401,665 4.934,666 5.784,667 6.658,668 7.521,669 8.4,670 9.268,671 10.149,672 11.02,673 11.902,674 13.2,682 2,683 1,684 2,690 8,691 2,695 8,697 18,699 1,709 2,714 2,715 1,716 38,718 19,719 2,720 29,722 41,723 18,724 16,725 6,726 6,728 4,729 5,730 1,739 1,740 16,741 1,757 1,760 12,761 7,762 2,763 8,764 1,769 5,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,824 1,827 26,833 1,834 2,835 2,842 1,846 1,848 1,849 1,850 5.3,855 2,858 12.667,859 6.993,860 5.75,861 2.08,863 3.662,864 1.487,865 1.015,866 4.59,867 11.188,868 3.714,869 4.297,870 4.877,871 5.43,872 5.952,873 6.101,874 6.425,875 6.779,876 7.114,877 7.455,878 0.857,879 39,880 9.49,881 4.03,882 7.863,883 17.693,884 14.175,885 2.363,886 61.444,890 117.711,891 125.547,892 100.652,893 39.149,894 22,897 125.547,898 178.859,899 100.652,901 6.65,902 66.334,903 61.944,904 120.815,905 27.769,906 82.398,907 39.149,908 117.711,909 226.199,910 22,911 39.149,913 117.711,914 22,917 84.678,918 107.95,919 72.72,921 117.711,922 122.652,923 164.695,926 117.711,927 33.564,928 75.381,929 52.623,930 125.779,931 117.711,932 122.652,933 164.695,935 0.575,936 0.34,937 0.189,938 0.101,939 20,940 8,941 0.098,942 4,943 1,944 1.095,945 3.876,946 219.604,947 0.095,948 21,949 122.211,954 16.615,955 7.183,956 3.586,958 122.652,959 13.863,960 8.607,964 4.423,966 36.022,967 405.058,968 40,980 39.022,981 42.515,983 0.34,984 0.711,985 0.871,986 0.99,987 0.99,988 0.99,989 4.945,990 1.24,991 5.753,992 4.629,993 4.394,994 4.984,995 2.664,996 6.541,997 4.271,998 6.154,999 1.173,1000 7.291,1001 2.711,1002 3.892,1003 4.691,1005 7.368,1006 3.664,1007 7.455,1008 1.125,1009 8.926,1010 2.6,1011 5.964,1012 7.166,1013 3.762,1014 10.47,1015 5.723,1016 8.79,1017 0.659,1018 10.62,1019 2.512,1020 6.293,1021 7.685,1023 12.15,1024 5.943,1025 10.152,1026 0.431,1027 12.352,1028 1.779,1029 7.802,1030 9.607,1031 5.059,1032 14.762,1033 7.439,1034 11.536,1035 0.274,1036 14.112,1037 0.652,1038 8.531,1039 10.521,1041 16.824,1042 8.066,1043 12.936,1045 15.894,1046 0.627,1047 9.805,1048 12.193,1049 6.424,1050 19.273,1051 9.314,1052 3.145,1053 -0.424,1054 17.693,1056 10.734,1057 13.321,1059 21.509,1060 10.149,1061 2.783,1062 10.781,1063 19.505,1064 -1.085,1065 11.91,1066 14.865,1067 7.819,1068 23.905,1069 11.285,1070 2.591,1071 8.161,1072 21.331,1073 4.173,1074 12.939,1075 16.114,1077 26.218,1078 12.227,1079 2.336,1080 7.588,1081 23.166,1082 3.774,1083 14.078,1084 17.592,1085 9.228,1086 28.599,1087 13.313,1088 2.126,1089 7.091,1090 25.011,1091 3.615,1092 15.157,1093 18.909,1095 30.947,1096 14.31,1097 1.836,1098 6.158,1099 26.863,1100 2.95,1101 16.284,1102 20.353,1103 10.643,1104 33.323,1105 15.377,1106 1.658,1107 5.21,1108 28.723,1109 2.787,1110 17.388,1111 21.71,1113 35.686,1114 16.403,1115 7957,1116 14781,1117 19.879,1118 27.841,1119 44.066,1120 46.844,1121 43.914,1122 42.847,1123 42.754,1124 57.41,1125 9.515,1126 120.995,1127 39.978,1128 5.346,1129 6.058,1130 6.277,1131 5.161,1132 5.145,1133 7.173,1134 4.069,1135 17.937,1136 4.93,1137 9.432,1138 1.52,1139 1.615,1140 1.514,1141 1.477,1142 1.474,1143 1.98,1144 0.328,1145 4.172,1146 1.379,1147 4,1148 4.029,1149 4.056,1150 3.89,1151 6.82,1152 3.9,1153 3.921,1154 3.942,1155 3.894,1156 3.843,1157 5.087,1158 3.846,1159 3.771,1160 3.814,1161 3.738,1162 3.612,1163 4.983,1164 3.636,1165 3.307,1166 3.329,1167 3.495,1168 3.061,1169 4.712,1170 3.09,1171 3.223,1172 3.279,1173 3.19,1174 3.048,1175 4.685,1176 3.075,1177 3.07,1178 3.143,1179 2.987,1180 2.876,1181 4.136,1182 2.892,1183 2.974,1184 3.049,1185 2.921,1186 2.8,1187 4.041,1188 2.806,1189 2.667,1190 2.74,1191 2.843,1192 2.51,1193 3.971,1194 2.514,1195 0.155,1196 0.14,1197 0.23,1198 0.141,1199 0.108,1200 4.489,1201 0.144,1202 4.058,1203 0.07,1204 6.684,1205 0.372,1206 4.082,1207 0.101,1208 3.145,1209 4.173,1210 2.035,1211 10.781,1212 2.93,1213 1.914,1214 1.885,1215 2.007,1216 2.038,1217 1.074,1218 2.024,1219 1.86,1220 1.844,1221 1.913,1222 1.959,1223 1.055,1224 1.956,1225 1.695,1226 1.651,1227 1.784,1228 1.845,1229 0.776,1230 1.834,1231 1.17,1232 1.135,1233 1.435,1234 1.522,1235 0.578,1236 1.486,1237 1.141,1238 1.096,1239 1.257,1240 1.351,1241 0.275,1242 1.327,1243 1,1244 0.934,1245 1.214,1246 1.231,1247 0.186,1248 1.224,1249 0.889,1250 0.813,1251 1.128,1252 1.153,1253 0.176,1254 1.157,1255 0.78,1256 0.782,1257 0.884,1258 0.951,1260 0.93,1261 4.078,1263 5.389,1264 2.398,1265 6.897,1266 4.595,1267 8.495,1268 6.605,1269 10.14,1272 6.273,1277 0.149,1278 6.21,1279 10.839,1287 8.986,1288 2.094,1289 27.471,1290 67.733,1291 141.77,1292 173.77,1293 197.421,1294 197.421,1295 197.421,1296 33.295,1297 7.526,1298 92.09,1299 92.09,1300 23,1301 12.439,1302 4.322,1303 3.585,1304 38.1,1305 100,1306 100,1307 0.185,1308 171.954,1309 296.57,1310 411.329,1311 20412,1312 2.6,1313 17.933,1314 0.69,1315 0.543,1316 18.433,1317 14.118,1318 12.725,1319 0.439,1320 0.278,1321 7.572,1322 11.89,1323 7.424,1324 6.134,1325 13.013,1326 8.059,1327 11.25,1328 0.281,1329 0.144,1330 11.621,1331 5.771,1332 9.624,1333 0.182,1334 0.075,1335 9.982,1336 3.96,1337 8.182,1338 0.117,1339 0.038,1340 8.457,1341 2.673,1342 6.492,1343 0.076,1344 0.02,1345 6.822,1346 1.739,1347 0.292,1348 83.372,1349 0.224,1350 25.15,1351 0.504,1352 138,1353 465.276,1354 169.624,1355 479.068,1356 647.44,1357 448,1358 162,1359 457.969,1360 190.502,1361 472.652,1362 690.54,1363 443,1364 6.26}
{0 CHEMBL255863,1 1.716,2 14.769,3 5.084,4 25.849,5 140.252,6 8.681,7 0.674,8 4.236,9 4.35,10 3.921,11 3.781,12 5.478,13 3.8,14 4.739,15 4.893,16 4.349,17 4.15,18 6.333,19 4.161,20 4.908,21 5.077,22 4.326,23 4.265,24 6.178,25 4.25,26 5.037,27 5.246,28 4.309,29 4.247,30 6.287,31 4.228,32 5.006,33 5.216,34 4.393,35 4.231,36 6.329,37 4.226,38 4.99,39 5.176,40 4.366,41 4.232,42 6.37,43 4.24,44 5.048,45 5.25,46 4.376,47 4.214,48 6.634,49 4.208,50 4.881,51 5.068,52 4.22,53 4.165,54 6.205,55 4.141,56 0.17,57 1.169,58 8.678,59 4.973,60 20.21,61 5.501,62 0.955,63 2.17,64 18.501,65 8.284,66 141.288,67 9.406,68 0.491,69 2.047,70 21.562,71 9.741,72 36.543,73 11.338,74 0.855,75 2.22,76 30.557,77 11.422,78 98.132,79 13.327,80 1.003,81 2.211,82 29.88,83 10.502,84 81.361,85 13.362,86 0.867,87 2.306,88 26.91,89 10.516,90 89.115,91 11.17,92 1.472,93 2.324,94 32.789,95 11.889,96 229.403,97 13.493,98 0.573,99 1.98,100 23.789,101 10.394,102 53.249,103 12.151,104 38,105 62,106 0.271,107 0.601,108 0.777,109 0.884,110 0.9,111 0.9,112 3.693,113 0.824,114 -4.91,115 -4.82,116 -4.52,118 45.9,119 2,130 1,138 9,139 4,140 3,141 3,142 2,146 1,147 1,153 1,155 1,167 9,170 2,171 9,173 3,175 5,178 10,182 6,186 6,188 6,191 1,192 13,195 1,197 5,199 4,204 10,206 1,207 1,208 2,211 7,214 2,215 7,218 2,220 2,223 10,227 2,228 2,231 2,233 3,235 14,239 1,240 4,245 1,247 11,252 13,255 1,257 3,260 7,264 3094,265 25.814,266 25.814,267 25.814,268 25.814,269 25.814,270 22.293,271 30.805,272 15.035,273 26.516,274 21.272,275 21.272,276 21.272,277 21.272,278 21.272,279 15.941,280 46.278,281 7.232,282 22.486,283 4.215,284 2.125,285 1.009,286 0.332,287 0.234,288 0.234,289 4.393,294 1,295 1254,296 4.062,299 114.279,300 548.768,307 2.26,308 57.195,311 0.75,312 0.83,313 0.83,314 0.5,316 0.83,317 1,318 0.68,319 87,320 576,321 4.516,322 4.461,323 7.125,324 4.212,325 3.338,326 4.104,327 3.825,328 11.744,329 2.993,330 4.341,331 3.578,332 6.23,333 3.965,334 2.986,335 3.987,336 1.058,337 9.365,338 2.921,339 4.247,340 3.065,341 6.194,342 3.853,343 2.904,344 3.889,345 0.4,346 9.271,347 2.802,348 4.213,349 3.035,350 6.156,351 3.814,352 2.867,353 3.686,355 9.107,356 2.624,357 3.94,358 2.856,359 5.884,360 3.599,361 2.624,362 3.318,364 8.158,365 2.555,366 3.765,367 2.59,368 5.369,369 3.341,370 2.389,371 3.207,373 7.021,374 2.252,375 3.687,376 2.418,377 5.267,378 3.229,379 2.28,380 3.079,382 6.633,383 2.147,384 3.38,385 2.249,386 4.994,387 3,388 2.039,389 2.664,391 5.878,392 1.957,393 3.207,394 1.888,395 4.546,396 2.733,397 1.775,398 2.493,400 4.537,401 1.698,402 2.882,403 1.829,404 4.413,405 2.451,406 1.521,407 2.009,409 4.415,410 1.398,411 2.854,412 1.804,413 4.165,414 2.412,415 1.441,416 1.972,417 3.71,418 1.387,419 2.715,420 1.54,421 4.08,422 2.225,423 1.24,424 1.806,425 3.324,426 1.209,427 2.709,428 1.262,429 3.993,430 2.206,431 1.212,432 1.72,433 3.127,434 1.196,435 2.566,436 1.23,437 3.541,438 2.074,439 1.119,440 1.592,441 2.791,442 1.062,443 2.5,444 1,445 3.429,446 1.961,447 1,448 1.5,449 2.387,450 0.958,451 17.99,452 0.461,453 1.192,454 0.031,455 56.75,456 1.455,457 30.5,458 0.782,459 26.25,460 0.673,461 30.899,462 0.792,463 40.81,464 0.669,465 50.805,466 1.303,467 11.496,468 0.295,469 7.156,470 0.183,471 0.122,472 0.028,473 0.328,476 3,478 0.624,479 1.087,480 0.632,481 1.01,482 0.588,483 0.869,484 0.46,485 0.785,486 0.665,487 0.88,488 0.388,489 0.848,490 0.76,491 1.049,492 0.956,493 1.154,494 0.62,495 1.121,496 1.06,497 1.016,498 1.05,499 1.021,500 1.025,501 1.022,502 0.706,503 0.779,504 0.767,505 0.854,506 0.79,507 0.838,508 1.259,509 1.119,510 1.112,511 1.034,512 1.253,513 1.017,514 1.072,515 0.938,516 1,517 0.903,518 1.176,519 0.93,520 0.878,521 1.073,522 0.946,523 1.157,524 0.837,525 1.102,526 10,527 0.33,528 4.444,529 2.535,530 2.388,531 1.514,532 1.2,533 0.895,534 0.468,535 0.398,536 25702,537 83160,538 2.073,539 36.1,540 3,541 9,542 1,543 4,544 2,545 3,549 1.794,550 1.926,551 3.82,552 0.187,558 104.655,559 1.716,560 3.806,561 4.922,562 5.599,563 5.697,564 5.697,565 3.234,566 4.888,567 5.259,568 4.011,569 2972.38,570 9.274,571 51240.4,576 361.775,577 1.568,578 5.205,579 0.233,580 0.008,581 0.072,582 0.042,583 0.041,584 0.024,585 0.02,586 0.015,587 0.009,588 0.008,589 0.471,590 0.17,591 0.75,592 0.686,593 219.503,594 -0.056,595 -0.147,596 0.029,597 -0.055,598 -0.102,599 -0.001,600 0.39,601 0.249,602 0.144,603 0.076,604 0.408,605 0.039,606 -0.096,607 -0.186,608 -0.141,609 -0.208,610 -0.017,611 -0.191,612 -0.136,613 -0.088,614 -0.079,615 -0.057,616 -0.117,617 -0.047,618 0.158,619 0.088,620 0.199,621 0.091,622 0.048,623 0.133,624 -0.171,625 -0.056,626 -0.175,627 -0.078,628 -0.154,629 -0.107,630 0.178,631 0.118,632 0.042,633 0.097,634 0.187,635 0.041,636 -0.045,637 -0.177,638 -0.032,639 -0.162,640 0.021,641 -0.111,642 5.851,643 6.105,644 0.744,645 46.154,646 1.025,647 1.139,648 3.679,649 13.535,650 0.691,651 3.784,652 4.143,653 4.369,654 4.615,655 4.868,656 4.927,657 5.088,658 5.176,659 5.273,660 5.323,661 8.641,662 0.685,663 529.57,664 3.784,665 5.352,666 6.196,667 7.083,668 7.946,669 8.831,670 9.701,671 10.586,672 11.46,673 12.344,674 11.5,681 1,682 2,684 4,690 14,691 4,695 10,696 1,697 29,704 1,709 1,716 61,718 30,719 2,720 43,722 65,723 28,724 24,725 6,726 6,727 1,728 5,729 5,732 3,737 1,740 25,741 3,744 1,749 1,753 1,758 3,760 22,761 10,762 2,763 11,766 1,769 7,775 1,776 1,787 1,788 1,793 1,794 4,819 5,823 2,825 3,827 39,834 2,839 1,849 3,850 1.6,853 1,858 20.25,859 11.762,860 8.278,861 3.41,863 5.103,864 1.603,865 1.019,866 7.146,867 13.567,868 4.086,869 4.721,870 5.288,871 5.865,872 6.4,873 6.641,874 7.065,875 7.408,876 7.777,877 8.076,878 0.9,879 61,880 14.942,881 6.945,882 8.105,883 26.449,884 21.427,885 2.605,886 101.583,890 235.422,891 188.634,892 105.063,894 25.145,895 44.88,897 188.634,898 260.567,899 149.943,900 17.65,901 18.011,902 94.334,903 152.695,904 118.458,905 13.67,906 176.567,907 7.76,908 235.422,909 293.697,910 70.025,913 235.422,914 70.025,917 106.504,918 120.051,919 67.142,921 280.302,922 130.208,923 188.634,926 243.182,927 33.13,928 149.644,929 36.022,930 137.167,931 235.422,932 175.088,933 188.634,935 0.594,936 0.333,937 0.172,938 0.1,939 30,940 14,941 0.092,942 6,944 1,945 4.832,946 388.098,948 29,949 201.376,954 26.09,955 10.683,956 6.14,958 173.189,959 21.707,960 16.954,964 3.407,965 1.466,966 36.022,967 599.144,968 58.5,973 13.105,977 -0.574,980 62.53,981 69.453,983 0.289,984 0.642,985 0.83,986 0.944,987 0.961,988 0.961,989 5.334,990 2.039,991 6.217,992 6.633,993 4.828,994 5.409,995 3.153,996 7.043,997 4.725,998 6.571,999 1.775,1000 7.793,1001 5.878,1002 4.575,1003 5.223,1004 3.903,1005 8.089,1006 4.358,1007 7.891,1008 1.521,1009 9.473,1010 4.537,1011 6.482,1012 7.607,1013 5.432,1014 11.104,1015 6.263,1016 9.244,1017 1.441,1018 11.215,1019 4.415,1020 7.004,1021 8.172,1022 6.69,1023 12.95,1024 6.662,1025 10.624,1026 1.24,1027 12.998,1028 3.71,1029 8.431,1030 10.051,1031 8.059,1032 15.535,1033 8.072,1034 12.024,1035 1.212,1036 14.809,1037 3.324,1038 9.295,1039 10.98,1040 9.388,1041 17.711,1042 8.817,1043 13.438,1044 1.119,1045 16.642,1046 3.127,1047 10.543,1048 12.624,1049 10.734,1050 20.169,1051 10.025,1052 3.338,1053 1,1054 18.493,1055 2.791,1056 11.563,1057 13.75,1058 12.074,1059 22.49,1060 10.934,1061 2.986,1062 11.744,1063 20.357,1064 2.387,1065 12.745,1066 15.272,1067 13.416,1068 24.919,1069 12.055,1070 2.904,1071 9.365,1072 22.234,1073 4.104,1074 13.84,1075 16.509,1076 14.758,1077 27.306,1078 13.045,1079 2.867,1080 9.271,1081 24.12,1082 3.987,1083 15.004,1084 17.967,1085 16.1,1086 29.737,1087 14.131,1088 2.624,1089 9.107,1090 26.016,1091 3.889,1092 16.136,1093 19.266,1094 17.441,1095 32.158,1096 15.159,1097 2.389,1098 8.158,1099 27.92,1100 3.686,1101 17.298,1102 20.691,1103 18.783,1104 34.597,1105 16.232,1106 2.28,1107 7.021,1108 29.83,1109 3.318,1110 18.452,1111 22.027,1112 20.124,1113 37.035,1114 17.281,1115 24093,1116 43633,1117 28.433,1118 42.159,1119 66.416,1120 66.191,1121 65.954,1122 65.455,1123 65.288,1124 87.634,1125 10.567,1126 191.684,1127 61.873,1128 5.361,1129 6.461,1130 6.927,1131 5.283,1132 5.338,1133 7.104,1134 5.335,1135 18.855,1136 4.993,1137 20.985,1138 1.545,1139 1.539,1140 1.534,1141 1.522,1142 1.518,1143 2.038,1144 0.246,1145 4.458,1146 1.439,1147 4.066,1148 4.107,1149 4.029,1150 3.952,1151 8.513,1152 3.964,1153 3.979,1154 4.02,1155 3.94,1156 3.873,1157 7.999,1158 3.882,1159 3.906,1160 3.938,1161 3.859,1162 3.821,1163 7.999,1164 3.827,1165 3.78,1166 3.826,1167 3.74,1168 3.625,1169 7.429,1170 3.645,1171 3.669,1172 3.725,1173 3.615,1174 3.506,1175 5.05,1176 3.526,1177 3.428,1178 3.47,1179 3.407,1180 3.209,1181 4.963,1182 3.237,1183 3.271,1184 3.321,1185 3.234,1186 3.016,1187 4.84,1188 3.055,1189 3.09,1190 3.186,1191 2.959,1192 2.895,1193 4.687,1194 2.897,1195 0.105,1196 0.104,1197 0.166,1198 0.098,1199 0.078,1200 4.516,1201 0.095,1202 4.461,1203 0.089,1204 7.125,1205 0.273,1206 4.212,1207 0.07,1208 3.338,1209 4.104,1210 3.825,1211 11.744,1212 2.993,1213 1.959,1214 1.933,1215 2.045,1216 2.075,1217 1.17,1218 2.064,1219 1.915,1220 1.886,1221 1.996,1222 2.039,1223 1.134,1224 2.026,1225 1.88,1226 1.85,1227 1.976,1228 1.98,1229 1.027,1230 1.982,1231 1.609,1232 1.558,1233 1.753,1234 1.796,1235 0.829,1236 1.78,1237 1.535,1238 1.479,1239 1.729,1240 1.714,1241 0.692,1242 1.727,1243 1.357,1244 1.3,1245 1.566,1246 1.619,1247 0.634,1248 1.588,1249 1.305,1250 1.253,1251 1.466,1252 1.566,1253 0.521,1254 1.527,1255 1.092,1256 1.033,1257 1.272,1258 1.374,1259 0.305,1260 1.359,1261 4.466,1263 5.814,1264 2.398,1265 7.339,1266 4.595,1267 8.94,1268 6.555,1269 10.582,1271 3.581,1273 40.827,1278 5.712,1283 -4.601,1289 41.756,1290 104.655,1291 232.168,1292 300.226,1293 341.51,1294 347.51,1295 347.51,1296 85.784,1297 8.465,1298 97.62,1299 97.62,1300 29,1301 12.879,1302 4.954,1303 4.044,1304 61.503,1305 204,1306 206,1307 0.144,1308 253.629,1309 441.06,1310 610.615,1311 68091,1312 4.9,1313 27.57,1314 0.707,1315 0.535,1316 25.07,1317 20.861,1318 18.652,1319 0.434,1320 0.275,1321 11.601,1322 17.793,1323 11.329,1324 9.408,1325 17.441,1326 11.813,1327 18.024,1328 0.291,1329 0.142,1330 16.067,1331 8.805,1332 14.157,1333 0.181,1334 0.075,1335 13.168,1336 5.872,1337 11.472,1338 0.115,1339 0.039,1340 11.083,1341 3.874,1342 9.646,1343 0.075,1344 0.02,1345 8.933,1346 2.634,1347 0.229,1348 117.947,1349 0.188,1350 35.356,1351 0.383,1352 210,1353 808.96,1354 242.858,1355 710.72,1356 948.68,1357 660,1358 245,1359 687.524,1360 271.652,1361 681.67,1362 1009.01,1363 638,1364 6.137}
{0 CHEMBL255874,1 1.743,2 11.967,3 4.494,4 20.196,5 114.029,6 8.518,7 0.529,8 4.063,9 4.166,10 3.749,11 3.56,12 5.169,13 3.58,14 4.602,15 4.747,16 4.121,17 3.94,18 5.718,19 3.943,20 4.78,21 4.973,22 4.151,23 4.056,24 5.805,25 4.015,26 4.773,27 4.97,28 4.096,29 4.043,30 5.789,31 3.972,32 4.792,33 5.018,34 4.095,35 4.017,36 5.808,37 3.947,38 4.718,39 4.933,40 3.985,41 3.942,42 5.739,43 3.876,44 4.623,45 4.84,46 3.894,47 3.798,48 5.672,49 3.745,50 4.51,51 4.745,52 3.683,53 3.663,54 5.492,55 3.603,56 0.116,57 0.765,58 8.397,59 4.155,60 6.836,61 4.86,62 0.56,63 1.21,64 18.428,65 7.041,66 29.76,67 8.109,68 0.602,69 1.4,70 25.88,71 8.417,72 32.578,73 10.755,74 0.563,75 1.368,76 27.192,77 9.448,78 34.258,79 12.184,80 0.603,81 1.363,82 28.516,83 9.117,84 42.297,85 12.276,86 0.522,87 1.263,88 27.68,89 8.809,90 36.054,91 11.567,92 0.592,93 1.154,94 23.802,95 7.095,96 39.149,97 9.579,98 0.525,99 1.035,100 21.617,101 6.394,102 33.556,103 8.627,104 2,105 47,106 0.292,107 0.624,108 0.785,109 0.864,110 0.871,111 0.871,112 3.44,113 0.884,114 -3.8,115 -3.77,116 -3.58,118 42,124 4,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 2,171 5,173 3,175 3,178 4,181 1,182 3,184 1,186 3,188 2,192 7,195 3,196 1,197 3,203 1,204 8,211 2,214 3,215 5,220 2,223 3,227 1,228 3,231 2,233 3,235 1,239 1,240 2,243 2,245 2,247 1,251 2,252 2,260 4,264 1458,265 20.878,266 20.878,267 20.878,268 20.878,269 20.878,270 18.65,271 34.194,272 12.501,273 21.64,274 16.853,275 16.853,276 16.853,277 16.853,278 16.853,279 13.481,280 58.603,281 5.987,282 18.153,283 3.901,284 1.913,285 0.953,286 0.48,287 0.44,288 0.44,289 4.155,290 1,293 1,294 1,295 806,296 2.55,299 66.33,300 363.902,303 122.836,307 1.904,308 25.949,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 65.833,320 359,321 4.489,322 3.486,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.198,331 3.144,332 6.17,333 3.854,334 2.906,335 3.775,336 0.86,337 9.19,338 2.759,339 4.042,340 2.945,341 5.716,342 3.621,343 2.7,344 3.617,345 0.8,346 8.008,347 2.485,348 3.655,349 2.84,350 5.592,351 3.343,352 2.409,353 2.953,354 0.532,355 7.343,356 2.25,357 3.576,358 2.55,359 5.286,360 3.186,361 2.274,362 2.838,363 0.4,364 6.707,365 2.034,366 3.281,367 2.308,368 4.861,369 2.884,370 1.964,371 2.522,372 0.4,373 5.555,374 1.787,375 3.047,376 2.131,377 4.615,378 2.657,379 1.73,380 2.245,382 4.643,383 1.589,384 2.924,385 1.98,386 4.364,387 2.587,388 1.65,389 2.009,391 4.277,392 1.537,393 2.679,394 1.808,395 3.624,396 2.234,397 1.284,398 1.752,400 2.824,401 1.215,402 2.638,403 1.513,404 3.542,405 2.136,406 1.186,407 1.696,409 2.659,410 1.117,411 2.236,412 1.284,413 3.482,414 2.095,415 1.125,416 1.218,417 2.513,418 1.075,419 2.192,420 1.256,421 3.429,422 1.952,423 1,424 1.162,425 2.386,426 0.946,427 2,428 1.129,429 3.417,430 1.924,431 1,432 1,433 2.136,434 0.914,435 1.788,436 1.112,437 3.247,438 1.555,439 0.659,440 0.721,441 1.779,442 0.584,443 1.522,444 0.775,445 2.956,446 1.141,447 0.274,448 0.329,449 0.651,450 0.212,451 14.214,452 0.474,453 0.585,454 0.019,455 42,456 1.4,457 20.5,458 0.683,459 21.5,460 0.717,461 22.652,462 0.755,463 31.986,464 0.64,465 30.31,466 1.01,467 8.394,468 0.28,469 6.365,470 0.212,471 0.05,473 0.31,478 0.913,479 1.459,480 0.599,481 1.069,482 0.793,483 0.889,484 1.203,485 1.041,486 0.784,487 0.852,488 0.945,489 0.854,490 1.006,491 1.088,492 0.947,493 0.926,494 0.94,495 0.949,496 0.745,497 1.115,498 1.004,499 1.136,500 0.813,501 1.112,502 0.735,503 0.993,504 0.806,505 0.903,506 0.766,507 0.908,508 0.883,509 1.053,510 1.028,511 1.015,512 0.962,513 0.977,514 0.848,515 1.096,516 0.909,517 0.999,518 0.931,519 1.002,520 0.959,521 0.944,522 0.887,523 0.815,524 1.102,525 0.882,526 5,527 0.106,528 2.667,529 1.688,530 1.32,531 0.667,532 0.494,533 0.271,534 0.189,535 0.127,536 13471,537 38426,538 2.207,539 40,541 15,542 2,543 1,544 2,549 1.726,550 2.143,551 3.548,552 0.276,554 1,558 87.151,559 1.743,560 3.731,561 4.691,562 5.164,563 5.204,564 5.204,565 2.94,566 4.507,567 4.883,568 3.74,569 1627.09,570 8.502,571 23031.4,573 1,575 1,576 282.193,577 1.075,578 4.87,579 0.147,580 0.004,581 0.057,582 0.037,583 0.031,584 0.016,585 0.013,586 0.008,587 0.007,588 0.005,589 0.324,590 0.33,591 0.88,592 0.327,593 155.389,594 -0.093,595 -0.284,596 0.039,597 -0.125,598 -0.075,599 -0.021,600 -0.059,601 0.056,602 -0.015,603 0.069,604 0.012,605 0.015,606 -0.085,607 -0.024,608 -0.041,609 0.014,610 -0.049,611 -0.018,612 0.077,613 -0.101,614 -0.033,615 -0.149,616 0.067,617 -0.129,618 0.064,619 0.008,620 0.14,621 0.063,622 0.135,623 0.089,624 -0.013,625 -0.065,626 -0.004,627 -0.031,628 0.01,629 0.018,630 0.075,631 -0.067,632 0.012,633 -0.071,634 0.041,635 -0.051,636 -0.041,637 0.075,638 0.004,639 0.101,640 -0.118,641 0.077,642 1.333,643 2.237,644 0.9,645 28.373,646 1.018,647 1.128,648 2.574,649 6.625,650 0.687,651 3.555,652 3.871,653 4.159,654 4.443,655 4.654,656 4.682,657 4.804,658 4.927,659 4.97,660 5.05,661 7.237,662 0.666,663 425.91,664 3.555,665 5.094,666 5.948,667 6.823,668 7.69,669 8.57,670 9.441,671 10.322,672 11.196,673 12.077,674 10,680 1,682 2,684 2,690 8,691 2,695 8,697 18,709 2,711 1,714 2,715 1,716 50,718 18,719 2,720 34,722 54,723 21,724 16,725 6,726 6,728 5,729 6,730 1,740 16,741 5,757 1,760 20,761 8,762 2,763 9,764 1,769 5,775 0.8,776 3,788 1,793 1,794 4,797 1,818 1,819 4,824 1,827 30,833 5,834 2,835 3,838 1,849 1,850 6,854 1,855 2,858 14,859 8.91,860 6.528,861 2.884,863 3.58,864 1.441,865 1.019,866 5.702,867 11.699,868 3.784,869 4.363,870 4.914,871 5.471,872 5.988,873 6.15,874 6.474,875 6.877,876 7.186,877 7.527,878 0.875,879 46,880 11.039,881 4.705,882 7.648,883 21.16,884 17.335,885 2.148,886 64.444,889 1,890 211.88,891 121.912,892 72.717,893 39.149,894 33,897 121.912,898 284.028,899 72.717,901 20.046,902 66.334,903 56.342,904 92.451,905 27.769,906 176.567,907 39.149,908 211.88,909 194.629,910 33,911 39.149,913 211.88,914 22,915 11,917 67.014,918 94.044,919 72.72,921 211.88,922 105.717,923 161.061,926 211.88,927 46.531,928 78.505,929 36.022,930 105.719,931 211.88,932 105.717,933 161.061,935 0.577,936 0.339,937 0.192,938 0.104,939 24,940 9,941 0.093,942 5,943 1,944 1.074,945 4.297,946 272.158,947 0.074,948 27,949 143.207,954 19.542,955 8.754,956 4.384,958 105.717,959 15.16,960 8.879,964 5.467,966 36.022,967 478.657,968 43,980 50.883,981 56.385,983 0.309,984 0.661,985 0.831,986 0.915,987 0.922,988 0.922,989 5.021,990 1.65,991 5.911,992 4.643,993 4.554,994 5.05,995 2.142,996 6.701,997 4.41,998 6.198,999 1.284,1000 7.447,1001 4.277,1002 4.007,1003 4.745,1004 0.325,1005 7.526,1006 3.757,1007 7.489,1008 1.186,1009 9.084,1010 2.824,1011 6.12,1012 7.189,1013 2.334,1014 10.644,1015 5.845,1016 8.815,1017 1.125,1018 10.781,1019 2.659,1020 6.431,1021 7.711,1022 0.268,1023 12.336,1024 6.05,1025 10.175,1026 1,1027 12.52,1028 2.513,1029 7.965,1030 9.615,1031 2.813,1032 14.946,1033 7.559,1034 11.557,1035 1,1036 14.287,1037 2.386,1038 8.687,1039 10.535,1040 0.188,1041 17.006,1042 8.184,1043 12.957,1044 0.659,1045 16.075,1046 2.136,1047 9.974,1048 12.197,1049 3.398,1050 19.445,1051 9.437,1052 3.145,1053 0.274,1054 17.879,1055 1.779,1056 10.899,1057 13.329,1058 0.125,1059 21.669,1060 10.275,1061 2.906,1062 10.781,1063 19.696,1064 0.651,1065 12.081,1066 14.868,1067 4.025,1068 24.051,1069 11.412,1070 2.7,1071 9.19,1072 21.523,1073 4.173,1074 13.105,1075 16.118,1076 0.082,1077 26.349,1078 12.357,1079 2.409,1080 8.008,1081 23.359,1082 3.775,1083 14.245,1084 17.594,1085 4.671,1086 28.715,1087 13.443,1088 2.274,1089 7.343,1090 25.202,1091 3.617,1092 15.319,1093 18.912,1094 0.054,1095 31.05,1096 14.442,1097 1.964,1098 6.707,1099 27.052,1100 2.953,1101 16.444,1102 20.355,1103 5.325,1104 33.413,1105 15.507,1106 1.73,1107 5.555,1108 28.907,1109 2.838,1110 17.543,1111 21.713,1112 0.035,1113 35.765,1114 16.534,1115 12278,1116 20961,1117 23.75,1118 34.341,1119 50.653,1120 52.117,1121 51.227,1122 50.734,1123 50.615,1124 64.021,1125 8.766,1126 142.904,1127 46.87,1128 5.489,1129 5.486,1130 6.486,1131 5.186,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 7.167,1138 1.49,1139 1.533,1140 1.507,1141 1.492,1142 1.489,1143 1.883,1144 0.258,1145 4.203,1146 1.379,1147 4.009,1148 4.044,1149 4.057,1150 3.892,1151 5.088,1152 3.903,1153 3.938,1154 3.961,1155 3.908,1156 3.841,1157 4.984,1158 3.847,1159 3.789,1160 3.838,1161 3.75,1162 3.614,1163 4.751,1164 3.639,1165 3.665,1166 3.711,1167 3.55,1168 3.475,1169 4.708,1170 3.485,1171 3.306,1172 3.326,1173 3.495,1174 3.051,1175 4.582,1176 3.082,1177 3.117,1178 3.206,1179 3.037,1180 2.941,1181 4.138,1182 2.929,1183 3.111,1184 3.192,1185 2.924,1186 2.908,1187 4.041,1188 2.91,1189 2.989,1190 3.063,1191 2.867,1192 2.804,1193 3.991,1194 2.814,1195 0.132,1196 0.103,1197 0.197,1198 0.12,1199 0.092,1200 4.489,1201 0.123,1202 3.486,1203 0.041,1204 6.684,1205 0.317,1206 4.083,1207 0.086,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.922,1214 1.887,1215 2.033,1216 2.063,1217 1.237,1218 2.054,1219 1.862,1220 1.845,1221 1.917,1222 1.99,1223 1.057,1224 1.973,1225 1.704,1226 1.657,1227 1.855,1228 1.884,1229 1.021,1230 1.875,1231 1.62,1232 1.568,1233 1.778,1234 1.806,1235 0.825,1236 1.807,1237 1.166,1238 1.133,1239 1.513,1240 1.521,1241 0.775,1242 1.486,1243 1.153,1244 1.064,1245 1.435,1246 1.376,1247 0.578,1248 1.429,1249 1.034,1250 0.967,1251 1.236,1252 1.295,1253 0.304,1254 1.283,1255 0.889,1256 0.829,1257 1.154,1258 1.164,1259 0.26,1260 1.16,1261 4.234,1263 5.549,1264 2.398,1265 7.062,1266 4.595,1267 8.664,1268 6.605,1269 10.312,1272 6.348,1277 3.422,1278 6.479,1279 16.39,1282 2.299,1289 33.293,1290 87.151,1291 186.567,1292 234.541,1293 258.193,1294 260.193,1295 260.193,1296 36.093,1297 8.119,1298 80.77,1299 80.77,1300 29,1301 12.613,1302 4.248,1303 3.322,1304 41.721,1305 132,1306 124,1307 0.152,1308 203.189,1309 350.18,1310 487.542,1311 45127,1312 2,1313 20.338,1314 0.678,1315 0.562,1316 20.838,1317 16.855,1318 14.759,1319 0.434,1320 0.295,1321 9.471,1322 13.722,1323 9.316,1324 7.622,1325 15.048,1326 10.019,1327 13.134,1328 0.279,1329 0.154,1330 13.505,1331 7.229,1332 11.295,1333 0.179,1334 0.082,1335 11.653,1336 5.191,1337 9.775,1338 0.116,1339 0.043,1340 10.05,1341 3.609,1342 7.922,1343 0.076,1344 0.023,1345 8.252,1346 2.418,1347 0.242,1348 96.801,1349 0.205,1350 28.553,1351 0.406,1352 162,1353 513.011,1354 198.223,1355 511.791,1356 700.14,1357 484,1358 191,1359 499.014,1360 224.435,1361 508.947,1362 752.19,1363 479,1364 6.237}
{0 CHEMBL255875,1 1.743,2 12.733,3 4.494,4 20.196,5 114.029,6 8.518,7 0.529,8 4.063,9 4.166,10 3.749,11 3.56,12 5.169,13 3.58,14 4.602,15 4.747,16 4.121,17 3.94,18 5.718,19 3.943,20 4.78,21 4.973,22 4.151,23 4.056,24 5.808,25 4.015,26 4.772,27 4.97,28 4.076,29 4.042,30 5.788,31 3.968,32 4.785,33 5.015,34 4.058,35 4.003,36 5.798,37 3.921,38 4.674,39 4.898,40 3.91,41 3.88,42 5.679,43 3.808,44 4.5,45 4.707,46 3.81,47 3.694,48 5.567,49 3.646,50 4.387,51 4.611,52 3.617,53 3.575,54 5.372,55 3.514,56 0.116,57 0.765,58 8.397,59 4.155,60 6.836,61 4.86,62 0.56,63 1.21,64 18.428,65 7.041,66 29.677,67 8.109,68 0.602,69 1.4,70 25.88,71 8.417,72 32.587,73 10.755,74 0.558,75 1.361,76 27.164,77 9.388,78 34.693,79 12.087,80 0.599,81 1.331,82 28.796,83 9.481,84 43.822,85 12.808,86 0.486,87 1.174,88 27.567,89 8.599,90 35.923,91 11.403,92 0.552,93 1.025,94 20.931,95 6.286,96 34.267,97 8.228,98 0.439,99 0.925,100 18.563,101 5.752,102 26.183,103 7.875,104 2,105 47,106 0.292,107 0.624,108 0.765,109 0.83,110 0.844,111 0.844,112 3.44,113 0.884,114 -3.8,115 -3.77,116 -3.58,118 42,124 4,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 2,171 5,173 3,175 3,178 3,181 1,182 4,184 1,186 4,188 3,192 6,195 2,196 1,197 2,203 1,204 10,206 1,211 2,214 1,215 4,220 2,223 3,227 3,228 2,231 1,233 4,235 2,239 1,240 1,243 2,245 1,252 3,255 1,260 4,264 1494,265 20.878,266 20.878,267 20.878,268 20.878,269 20.878,270 18.65,271 34.194,272 12.46,273 21.64,274 16.836,275 16.836,276 16.836,277 16.836,278 16.836,279 13.475,280 56.103,281 5.959,282 18.138,283 3.901,284 1.913,285 1.073,286 0.68,287 0.6,288 0.6,289 4.155,290 1,293 1,294 1,295 859,296 2.55,299 68.411,300 382.126,303 126.805,307 2.151,308 25.7,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 65.833,320 382,321 4.489,322 3.486,323 6.684,324 4.082,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.17,331 3.127,332 6.143,333 3.826,334 2.879,335 3.749,336 0.86,337 9.058,338 2.731,339 4.046,340 2.947,341 5.72,342 3.636,343 2.714,344 3.61,345 0.8,346 8.038,347 2.5,348 3.694,349 2.85,350 5.597,351 3.369,352 2.429,353 2.98,354 0.532,355 7.363,356 2.284,357 3.599,358 2.553,359 5.292,360 3.192,361 2.282,362 2.913,363 0.4,364 6.728,365 2.037,366 3.283,367 2.318,368 4.854,369 2.885,370 1.965,371 2.53,372 0.4,373 5.54,374 1.788,375 3.046,376 2.144,377 4.615,378 2.689,379 1.766,380 2.244,382 4.645,383 1.618,384 2.945,385 1.984,386 4.425,387 2.599,388 1.657,389 2.005,391 4.436,392 1.547,393 2.666,394 1.808,395 3.623,396 2.153,397 1.221,398 1.742,400 2.734,401 1.131,402 2.5,403 1.527,404 3.507,405 2.098,406 1.14,407 1.5,409 2.645,410 1.075,411 2.257,412 1.288,413 3.48,414 2.029,415 1.124,416 1.242,417 2.513,418 1.004,419 2.236,420 1.256,421 3.417,422 2,423 1,424 1.218,425 2.275,426 1,427 2,428 1.114,429 3.414,430 1.952,431 1,432 1,433 2.136,434 0.946,435 1.788,436 1,437 3.247,438 1.555,439 0.659,440 0.721,441 1.779,442 0.584,443 1.522,444 0.775,445 2.964,446 1.141,447 0.274,448 0.329,449 0.652,450 0.212,451 14.214,452 0.474,453 0.585,454 0.019,455 42,456 1.4,457 20.5,458 0.683,459 21.5,460 0.717,461 22.402,462 0.747,463 31.986,464 0.64,465 30.085,466 1.003,467 8.394,468 0.28,469 6.365,470 0.212,471 0.05,473 0.31,478 0.913,479 1.459,480 0.599,481 1.069,482 0.793,483 0.889,484 1.203,485 1.041,486 0.784,487 0.852,488 0.947,489 0.854,490 1.006,491 1.088,492 0.947,493 0.926,494 0.927,495 0.949,496 0.781,497 1.119,498 1.034,499 1.142,500 0.853,501 1.13,502 0.659,503 0.944,504 0.793,505 0.929,506 0.731,507 0.934,508 0.904,509 1.074,510 1.016,511 0.997,512 0.977,513 0.941,514 0.922,515 1.005,516 0.964,517 0.994,518 0.971,519 1.01,520 0.785,521 1.098,522 0.869,523 0.922,524 0.876,525 0.95,526 5,527 0.089,528 2.889,529 1.563,530 1.32,531 0.667,532 0.513,533 0.307,534 0.225,535 0.144,536 14059,537 39946,538 2.207,539 40,541 15,542 2,543 1,544 2,549 1.723,550 2.143,551 3.608,552 0.276,554 1,558 87.151,559 1.743,560 3.731,561 4.571,562 4.964,563 5.044,564 5.044,565 3.031,566 4.323,567 4.88,568 3.823,569 1662.95,570 8.484,571 23899.5,573 1,575 1,576 282.193,577 1.075,578 4.87,579 0.147,580 0.003,581 0.061,582 0.034,583 0.032,584 0.017,585 0.014,586 0.01,587 0.008,588 0.005,589 0.333,590 0.33,591 0.88,592 0.327,593 156.512,594 -0.093,595 -0.284,596 0.039,597 -0.125,598 -0.075,599 -0.021,600 -0.059,601 0.056,602 -0.015,603 0.069,604 0.011,605 0.015,606 -0.085,607 -0.024,608 -0.041,609 0.014,610 -0.035,611 -0.018,612 0.04,613 -0.106,614 -0.064,615 -0.155,616 0.029,617 -0.147,618 0.12,619 0.03,620 0.163,621 0.054,622 0.176,623 0.085,624 -0.03,625 -0.121,626 0.04,627 0.003,628 0.018,629 0.078,630 0.061,631 0.035,632 -0.024,633 -0.066,634 0.018,635 -0.075,636 0.068,637 -0.073,638 0.021,639 0.007,640 0.008,641 0.015,642 1.332,643 2.226,644 0.9,645 31.507,646 1.018,647 1.128,648 2.574,649 6.625,650 0.687,651 3.555,652 3.871,653 4.159,654 4.431,655 4.644,656 4.673,657 4.796,658 4.92,659 4.963,660 5.05,661 7.601,662 0.666,663 425.91,664 3.555,665 5.094,666 5.948,667 6.821,668 7.688,669 8.564,670 9.435,671 10.313,672 11.186,673 12.066,674 10,680 1,682 2,684 2,690 8,691 2,695 8,697 18,709 2,711 1,714 2,715 1,716 50,718 18,719 2,720 34,722 54,723 21,724 16,725 6,726 6,728 5,729 6,730 1,740 16,741 5,757 1,760 20,761 8,762 2,763 9,764 1,769 5,775 0.8,776 3,788 1,793 1,794 4,797 1,818 1,819 4,824 1,827 30,833 5,834 2,835 3,838 1,849 1,850 6,854 1,855 2,858 14,859 8.91,860 6.528,861 2.884,863 3.531,864 1.435,865 1.019,866 5.702,867 11.65,868 3.784,869 4.363,870 4.914,871 5.461,872 5.988,873 6.149,874 6.473,875 6.877,876 7.19,877 7.525,878 1,879 46,880 11.037,881 4.703,882 7.648,883 21.16,884 17.335,885 2.148,886 64.444,889 1,890 211.88,891 121.912,892 72.717,893 39.149,894 33,897 121.912,898 284.028,899 72.717,901 20.046,902 66.334,903 56.342,904 92.451,905 27.769,906 176.567,907 39.149,908 211.88,909 194.629,910 33,911 39.149,913 211.88,914 22,915 11,917 67.014,918 94.044,919 72.72,921 211.88,922 105.717,923 161.061,926 211.88,927 46.531,928 78.505,929 36.022,930 105.719,931 211.88,932 105.717,933 161.061,935 0.578,936 0.34,937 0.189,938 0.102,939 24,940 9,941 0.093,942 5,943 1,944 1.074,945 4.344,946 269.247,947 0.074,948 27,949 139.207,954 19.542,955 8.754,956 4.384,958 105.717,959 15.171,960 8.832,964 5.499,966 36.022,967 478.657,968 43,980 50.883,981 56.385,983 0.309,984 0.661,985 0.81,986 0.88,987 0.894,988 0.894,989 5.021,990 1.657,991 5.911,992 4.645,993 4.554,994 5.05,995 2.142,996 6.698,997 4.41,998 6.198,999 1.221,1000 7.447,1001 4.436,1002 4.007,1003 4.745,1004 0.325,1005 7.526,1006 3.757,1007 7.489,1008 1.14,1009 9.083,1010 2.734,1011 6.12,1012 7.189,1013 2.334,1014 10.634,1015 5.845,1016 8.815,1017 1.124,1018 10.78,1019 2.645,1020 6.431,1021 7.711,1022 0.268,1023 12.328,1024 6.05,1025 10.174,1026 1,1027 12.518,1028 2.513,1029 7.963,1030 9.613,1031 2.813,1032 14.93,1033 7.557,1034 11.556,1035 1,1036 14.284,1037 2.275,1038 8.682,1039 10.529,1040 0.188,1041 16.991,1042 8.178,1043 12.956,1044 0.659,1045 16.07,1046 2.136,1047 9.968,1048 12.19,1049 3.398,1050 19.426,1051 9.429,1052 3.145,1053 0.274,1054 17.873,1055 1.779,1056 10.889,1057 13.318,1058 0.125,1059 21.65,1060 10.262,1061 2.879,1062 10.781,1063 19.689,1064 0.652,1065 12.07,1066 14.857,1067 4.025,1068 24.031,1069 11.397,1070 2.714,1071 9.058,1072 21.515,1073 4.173,1074 13.091,1075 16.104,1076 0.082,1077 26.331,1078 12.337,1079 2.429,1080 8.038,1081 23.35,1082 3.749,1083 14.23,1084 17.58,1085 4.671,1086 28.697,1087 13.421,1088 2.282,1089 7.363,1090 25.193,1091 3.61,1092 15.301,1093 18.895,1094 0.054,1095 31.032,1096 14.416,1097 1.965,1098 6.728,1099 27.042,1100 2.98,1101 16.425,1102 20.339,1103 5.325,1104 33.397,1105 15.479,1106 1.766,1107 5.54,1108 28.896,1109 2.913,1110 17.522,1111 21.695,1112 0.035,1113 35.75,1114 16.503,1115 12782,1116 21777,1117 23.75,1118 34.341,1119 50.737,1120 51.965,1121 51.267,1122 50.836,1123 50.71,1124 64.154,1125 8.766,1126 143.172,1127 46.961,1128 5.489,1129 5.486,1130 6.486,1131 5.186,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 7.199,1138 1.492,1139 1.528,1140 1.508,1141 1.495,1142 1.491,1143 1.887,1144 0.258,1145 4.211,1146 1.381,1147 4.009,1148 4.044,1149 4.057,1150 3.892,1151 5.088,1152 3.903,1153 3.937,1154 3.961,1155 3.907,1156 3.841,1157 4.984,1158 3.847,1159 3.792,1160 3.841,1161 3.753,1162 3.615,1163 4.751,1164 3.641,1165 3.664,1166 3.71,1167 3.551,1168 3.475,1169 4.708,1170 3.486,1171 3.306,1172 3.326,1173 3.495,1174 3.051,1175 4.581,1176 3.082,1177 3.118,1178 3.206,1179 3.041,1180 2.941,1181 4.138,1182 2.927,1183 3.111,1184 3.19,1185 2.925,1186 2.901,1187 4.041,1188 2.91,1189 2.994,1190 3.066,1191 2.875,1192 2.804,1193 3.999,1194 2.815,1195 0.132,1196 0.103,1197 0.197,1198 0.12,1199 0.092,1200 4.489,1201 0.123,1202 3.486,1203 0.041,1204 6.684,1205 0.317,1206 4.082,1207 0.086,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.921,1214 1.887,1215 2.033,1216 2.062,1217 1.236,1218 2.054,1219 1.862,1220 1.845,1221 1.917,1222 1.991,1223 1.058,1224 1.974,1225 1.706,1226 1.659,1227 1.855,1228 1.886,1229 1.022,1230 1.878,1231 1.618,1232 1.566,1233 1.776,1234 1.804,1235 0.825,1236 1.804,1237 1.166,1238 1.132,1239 1.513,1240 1.521,1241 0.775,1242 1.486,1243 1.153,1244 1.064,1245 1.435,1246 1.376,1247 0.578,1248 1.429,1249 1.024,1250 0.959,1251 1.211,1252 1.294,1253 0.316,1254 1.276,1255 0.889,1256 0.821,1257 1.181,1258 1.167,1259 0.218,1260 1.162,1261 4.234,1263 5.549,1264 2.398,1265 7.062,1266 4.595,1267 8.663,1268 6.605,1269 10.308,1272 6.337,1277 3.508,1278 6.437,1279 16.351,1282 2.308,1289 33.293,1290 87.151,1291 186.567,1292 228.541,1293 248.193,1294 252.193,1295 252.193,1296 35.985,1297 8.119,1298 80.77,1299 80.77,1300 29,1301 12.603,1302 4.248,1303 3.322,1304 41.858,1305 138,1306 136,1307 0.145,1308 203.189,1309 350.18,1310 487.542,1311 45127,1312 2,1313 20.338,1314 0.678,1315 0.562,1316 20.838,1317 16.855,1318 14.759,1319 0.434,1320 0.295,1321 9.471,1322 13.722,1323 9.316,1324 7.621,1325 15.048,1326 10.019,1327 13.122,1328 0.279,1329 0.154,1330 13.493,1331 7.225,1332 11.363,1333 0.18,1334 0.083,1335 11.721,1336 5.212,1337 9.695,1338 0.117,1339 0.043,1340 9.97,1341 3.584,1342 7.882,1343 0.077,1344 0.023,1345 8.212,1346 2.397,1347 0.234,1348 96.801,1349 0.205,1350 28.797,1351 0.381,1352 162,1353 513.011,1354 198.223,1355 511.726,1356 700.12,1357 484,1358 191,1359 499.014,1360 224.435,1361 508.811,1362 751.92,1363 479,1364 6}
{0 CHEMBL255947,1 1.844,2 10.36,3 5.309,4 28.18,5 95.331,6 10.141,7 0.643,8 3.778,9 3.864,10 3.6,11 3.353,12 4.985,13 3.372,14 4.256,15 4.362,16 4.001,17 3.719,18 5.516,19 3.722,20 4.41,21 4.564,22 4.024,23 3.779,24 5.592,25 3.748,26 4.375,27 4.539,28 3.904,29 3.67,30 5.543,31 3.632,32 4.309,33 4.497,34 3.895,35 3.605,36 5.497,37 3.579,38 4.229,39 4.396,40 3.765,41 3.593,42 5.395,43 3.551,44 4.175,45 4.337,46 3.749,47 3.482,48 5.4,49 3.444,50 4.075,51 4.281,52 3.455,53 3.343,54 5.122,55 3.259,56 0.145,57 0.546,58 3.372,59 2.743,60 7.119,61 2.651,62 0.441,63 0.851,64 7.633,65 4.782,66 20.335,67 4.586,68 0.472,69 0.956,70 15.611,71 5.872,72 27.62,73 6.018,74 0.574,75 0.906,76 17.997,77 5.991,78 33.051,79 6.088,80 0.543,81 0.866,82 14.671,83 5.24,84 33.667,85 5.507,86 0.407,87 0.778,88 16.246,89 5.339,90 28.005,91 5.796,92 0.468,93 0.729,94 11.796,95 4.562,96 27.928,97 4.837,98 0.385,99 0.643,100 13.194,101 4.909,102 23.385,103 5.815,104 5,105 39,106 0.328,107 0.631,108 0.762,109 0.866,110 0.88,111 0.88,112 3.267,113 0.873,114 -4.64,115 -4.56,116 -4.29,118 45.9,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 2,171 3,173 3,175 3,178 5,182 2,184 1,186 4,188 5,192 6,195 2,196 1,197 2,203 1,204 8,208 1,211 2,214 1,215 2,220 2,223 3,227 1,228 4,231 1,233 4,235 2,239 1,240 1,243 1,245 1,252 2,257 1,260 5,264 893,265 17.102,266 17.102,267 17.102,268 17.102,269 17.102,270 14.797,271 25.341,272 10.108,273 17.731,274 13.848,275 13.848,276 13.848,277 13.848,278 13.848,279 10.439,280 41.882,281 4.845,282 15.017,283 3.365,284 1.666,285 0.93,286 0.345,287 0.27,288 0.27,289 3.967,290 2,293 1,294 1,295 573,296 2.449,299 53.247,300 221.459,303 99.003,307 1.706,308 23.397,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 54.667,320 259,321 4.489,322 3.486,323 6.684,324 4.082,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.122,331 2.985,332 5.725,333 3.69,334 2.759,335 3.723,336 0.532,337 8.064,338 2.569,339 3.953,340 2.931,341 5.607,342 3.484,343 2.546,344 3.555,345 0.4,346 7.405,347 2.379,348 3.628,349 2.805,350 5.346,351 3.228,352 2.331,353 2.949,354 0.4,355 6.86,356 2.059,357 3.46,358 2.499,359 4.997,360 3.026,361 2.133,362 2.758,364 5.96,365 1.85,366 3.217,367 2.14,368 4.745,369 2.757,370 1.848,371 2.471,373 5.244,374 1.627,375 3.036,376 1.969,377 4.61,378 2.601,379 1.658,380 2.237,382 4.631,383 1.543,384 2.667,385 1.805,386 3.622,387 2.147,388 1.206,389 1.744,391 2.682,392 1.126,393 2.5,394 1.303,395 3.485,396 2.096,397 1.126,398 1.5,400 2.514,401 1.075,402 2.236,403 1.115,404 3.417,405 2,406 1,407 1.218,409 2.275,410 1,411 1.788,412 1,413 3.414,414 1.555,415 0.659,416 0.721,417 1.78,418 0.584,419 1.522,420 0.775,421 2.964,422 1.141,423 0.275,424 0.329,425 0.655,426 0.213,427 1.46,428 0.624,429 2.881,430 1.081,431 0.194,432 0.236,433 0.469,434 0.157,435 0.956,436 -0.037,437 2.53,438 0.5,439 -0.379,440 -0.478,441 -0.898,442 -0.293,443 0.82,444 -0.051,445 2.189,446 0.388,447 -0.472,448 -0.569,449 -1.253,450 -0.355,451 12.195,452 0.488,453 0.571,454 0.023,455 37.5,456 1.5,457 20,458 0.8,459 17.5,460 0.7,461 16.527,462 0.661,463 25.605,464 0.692,465 25.149,466 1.006,467 7.483,468 0.299,469 4.703,470 0.188,471 0.117,473 0.328,478 0.876,479 1.282,480 0.5,481 0.842,482 0.786,483 0.735,484 0.968,485 1.005,486 0.644,487 0.806,488 0.789,489 0.83,490 1.023,491 1.23,492 1.026,493 1.053,494 1.024,495 1.032,496 1.089,497 1.099,498 1.132,499 1.103,500 1.113,501 1.096,502 0.852,503 0.946,504 0.709,505 0.778,506 0.8,507 0.815,508 1.019,509 1.093,510 1.095,511 1.011,512 1.123,513 0.974,514 0.767,515 1.091,516 0.871,517 1.132,518 0.8,519 1.149,520 0.803,521 0.954,522 0.82,523 0.895,524 0.842,525 0.998,526 5,527 0.073,528 2.444,529 1.375,530 1.369,531 0.472,532 0.434,533 0.26,534 0.217,535 0.131,536 7699,537 27298,538 2.154,539 32.4,541 7,542 2,543 1,544 2,549 1.678,550 2.055,551 3.333,552 0.352,558 68.243,559 1.844,560 3.543,561 4.28,562 4.865,563 4.939,564 4.939,565 2.759,566 4.244,567 4.618,568 3.513,569 1053.75,570 7.975,571 12832.6,576 192.75,577 1.26,578 4.592,579 0.179,580 0.004,581 0.063,582 0.037,583 0.043,584 0.015,585 0.014,586 0.01,587 0.011,588 0.007,589 0.383,590 0.17,591 1,592 0.477,593 120.995,594 -0.13,595 -0.183,596 0.001,597 -0.054,598 -0.168,599 0.006,600 0.028,601 0.057,602 -0.011,603 0.038,604 0.027,605 -0.041,606 -0.127,607 -0.183,608 -0.117,609 -0.141,610 -0.117,611 -0.131,612 -0.071,613 -0.082,614 -0.161,615 -0.158,616 -0.127,617 -0.162,618 0.057,619 0.116,620 0.126,621 0.141,622 0.124,623 0.141,624 -0.129,625 -0.095,626 -0.128,627 -0.053,628 -0.153,629 -0.007,630 0.163,631 -0.058,632 -0.028,633 -0.218,634 0.107,635 -0.227,636 0.065,637 -0.01,638 0.079,639 0.108,640 0.037,641 0.083,642 1.336,643 2.161,644 0.84,645 20.451,646 1.03,647 1.118,648 3.412,649 11.642,650 0.742,651 3.367,652 3.689,653 3.951,654 4.22,655 4.431,656 4.443,657 4.533,658 4.654,659 4.673,660 4.718,661 6.208,662 0.724,663 375.23,664 3.367,665 4.905,666 5.753,667 6.627,668 7.489,669 8.367,670 9.236,671 10.114,672 10.987,673 11.867,674 10.8,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 2,716 37,718 18,719 2,720 28,722 40,723 17,724 16,725 6,726 6,728 4,729 5,730 2,740 16,741 1,760 12,761 6,762 2,763 8,764 2,769 4,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,824 2,827 25,833 1,834 2,835 2,849 2,850 5.4,855 2,858 12.167,859 6.686,860 5.417,861 2.003,863 3.408,864 1.459,865 1.023,866 4.633,867 10.842,868 3.638,869 4.256,870 4.806,871 5.358,872 5.891,873 6.001,874 6.294,875 6.72,876 7.033,877 7.349,878 0.857,879 37,880 9.138,881 3.887,882 7.782,883 17.145,884 13.809,885 2.282,886 57.056,890 117.711,891 109.26,892 69.593,893 78.297,894 22,897 109.26,898 218.008,899 69.593,901 6.65,902 66.334,903 45.342,904 90.07,905 27.769,906 82.398,907 78.297,908 117.711,909 178.853,910 22,911 78.297,913 117.711,914 22,917 53.618,918 91.663,919 111.868,921 117.711,922 91.592,923 187.557,926 117.711,927 33.879,928 75.381,929 36.022,930 133.868,931 117.711,932 91.592,933 187.557,935 0.582,936 0.336,937 0.183,938 0.101,939 20,940 8,941 0.1,942 4,943 1,944 1.095,945 3.804,946 208.452,947 0.095,948 21,949 112.096,954 16.418,955 7.055,956 3.645,958 91.592,959 14.151,960 8.641,964 4.82,966 36.022,967 396.861,968 37,980 38.127,981 41.376,983 0.354,984 0.68,985 0.821,986 0.934,987 0.948,988 0.948,989 4.864,990 1.206,991 5.727,992 4.631,993 4.369,994 4.942,995 1.805,996 6.512,997 4.21,998 6.068,999 1.126,1000 7.265,1001 2.682,1002 3.892,1003 4.691,1005 7.334,1006 3.568,1007 7.369,1008 1,1009 8.899,1010 2.514,1011 5.938,1012 7.123,1013 2.17,1014 10.431,1015 5.637,1016 8.704,1017 0.659,1018 10.591,1019 2.275,1020 6.275,1021 7.654,1023 12.113,1024 5.821,1025 10.068,1026 0.275,1027 12.321,1028 1.78,1029 7.774,1030 9.562,1031 2.746,1032 14.727,1033 7.335,1034 11.452,1035 0.194,1036 14.08,1037 0.655,1038 8.503,1039 10.474,1041 16.794,1042 7.936,1043 12.853,1044 -0.379,1045 15.861,1046 0.469,1047 9.774,1048 12.144,1049 3.372,1050 19.247,1051 9.198,1052 3.145,1053 -0.472,1054 17.66,1055 -0.898,1056 10.703,1057 13.267,1059 21.488,1060 10.019,1061 2.759,1062 10.781,1063 19.473,1064 -1.253,1065 11.879,1066 14.814,1067 4.015,1068 23.888,1069 11.164,1070 2.546,1071 8.064,1072 21.3,1073 4.173,1074 12.908,1075 16.058,1077 26.205,1078 12.101,1079 2.331,1080 7.405,1081 23.137,1082 3.723,1083 14.048,1084 17.539,1085 4.667,1086 28.588,1087 13.194,1088 2.133,1089 6.86,1090 24.984,1091 3.555,1092 15.127,1093 18.854,1095 30.938,1096 14.191,1097 1.848,1098 5.96,1099 26.838,1100 2.949,1101 16.257,1102 20.301,1103 5.323,1104 33.317,1105 15.263,1106 1.658,1107 5.244,1108 28.7,1109 2.758,1110 17.362,1111 21.658,1113 35.682,1114 16.291,1115 7203,1116 13701,1117 19.186,1118 27.455,1119 41.801,1120 43.299,1121 42.562,1122 42.007,1123 41.76,1124 55.225,1125 5.446,1126 118.638,1127 38.223,1128 5.345,1129 5.486,1130 6.235,1131 5.161,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 9.18,1138 1.493,1139 1.546,1140 1.52,1141 1.5,1142 1.491,1143 1.972,1144 0.195,1145 4.237,1146 1.365,1147 3.996,1148 4.024,1149 4.059,1150 3.885,1151 5.091,1152 3.895,1153 3.908,1154 3.93,1155 3.992,1156 3.833,1157 4.996,1158 3.831,1159 3.764,1160 3.804,1161 3.773,1162 3.61,1163 4.913,1164 3.633,1165 3.306,1166 3.326,1167 3.495,1168 3.051,1169 4.709,1170 3.082,1171 3.125,1172 3.193,1173 3.354,1174 2.946,1175 4.365,1176 2.956,1177 2.99,1178 3.06,1179 2.957,1180 2.814,1181 4.122,1182 2.822,1183 2.854,1184 2.925,1185 2.916,1186 2.735,1187 4.04,1188 2.715,1189 2.658,1190 2.708,1191 2.749,1192 2.523,1193 3.875,1194 2.523,1195 0.16,1196 0.124,1197 0.239,1198 0.146,1199 0.112,1200 4.489,1201 0.149,1202 3.486,1203 0.05,1204 6.684,1205 0.385,1206 4.082,1207 0.105,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.895,1214 1.868,1215 1.979,1216 2.031,1217 1.065,1218 2.014,1219 1.856,1220 1.84,1221 1.911,1222 1.946,1223 1.053,1224 1.947,1225 1.691,1226 1.648,1227 1.781,1228 1.837,1229 0.775,1230 1.829,1231 1.166,1232 1.133,1233 1.435,1234 1.521,1235 0.578,1236 1.486,1237 1.029,1238 0.972,1239 1.184,1240 1.279,1241 0.234,1242 1.266,1243 0.887,1244 0.821,1245 1.181,1246 1.151,1247 0.218,1248 1.153,1249 0.886,1250 0.813,1251 1.12,1252 1.062,1253 0.173,1254 1.107,1255 0.78,1256 0.782,1257 0.863,1258 0.951,1260 0.93,1261 4.043,1263 5.361,1264 2.398,1265 6.87,1266 4.595,1267 8.467,1268 6.605,1269 10.111,1272 12.16,1277 0.164,1278 6.273,1279 10.846,1289 26.804,1290 68.243,1291 131.098,1292 158.343,1293 179.995,1294 182.75,1295 182.75,1296 29.827,1297 7.433,1298 68.3,1299 68.3,1300 23,1301 12.404,1302 4.248,1303 3.322,1304 36.002,1305 93,1306 100,1307 0.187,1308 169.756,1309 288.76,1310 405.963,1311 18037,1312 5.4,1313 17.225,1314 0.689,1315 0.572,1316 18.225,1317 14.305,1318 12.187,1319 0.435,1320 0.291,1321 7.325,1322 11.087,1323 7.152,1324 5.882,1325 12.764,1326 8.153,1327 11.069,1328 0.284,1329 0.154,1330 11.848,1331 6.022,1332 9.291,1333 0.182,1334 0.08,1335 9.938,1336 4.064,1337 7.759,1338 0.116,1339 0.04,1340 8.201,1341 2.666,1342 6.364,1343 0.077,1344 0.022,1345 6.929,1346 1.822,1347 0.295,1348 82.966,1349 0.228,1350 24.344,1351 0.51,1352 134,1353 447.834,1354 180.449,1355 487.181,1356 652.1,1357 456,1358 157,1359 441.423,1360 194.594,1361 463.119,1362 680.76,1363 435,1364 5.222}
{0 CHEMBL255949,1 1.844,2 9.68,3 5.309,4 28.18,5 95.331,6 10.141,7 0.643,8 3.778,9 3.864,10 3.6,11 3.353,12 4.986,13 3.372,14 4.256,15 4.362,16 4.001,17 3.719,18 5.51,19 3.722,20 4.41,21 4.564,22 4.078,23 3.784,24 5.606,25 3.757,26 4.383,27 4.538,28 3.965,29 3.7,30 5.573,31 3.659,32 4.318,33 4.496,34 3.965,35 3.628,36 5.551,37 3.602,38 4.229,39 4.396,40 3.824,41 3.608,42 5.41,43 3.568,44 4.179,45 4.336,46 3.743,47 3.502,48 5.392,49 3.457,50 4.079,51 4.28,52 3.377,53 3.336,54 5.126,55 3.244,56 0.145,57 0.546,58 3.372,59 2.743,60 7.124,61 2.651,62 0.441,63 0.851,64 7.633,65 4.782,66 20.411,67 4.586,68 0.478,69 0.952,70 15.021,71 5.839,72 27.365,73 6.058,74 0.591,75 0.894,76 19.231,77 6.075,78 34.595,79 6.018,80 0.575,81 0.851,82 16.129,83 5.305,84 37.065,85 5.46,86 0.398,87 0.777,88 15.431,89 5.325,90 26.953,91 5.814,92 0.467,93 0.727,94 12.596,95 4.63,96 27.16,97 4.77,98 0.406,99 0.64,100 15.033,101 4.971,102 25.508,103 5.754,104 5,105 39,106 0.328,107 0.631,108 0.766,109 0.889,110 0.918,111 0.918,112 3.267,113 0.874,114 -4.64,115 -4.56,116 -4.29,118 45.9,125 1,138 7,140 6,141 1,143 1,146 1,167 4,170 2,171 3,173 3,175 2,178 4,182 2,184 1,186 5,188 4,192 4,195 2,196 1,197 3,199 1,203 1,204 10,211 2,214 1,215 4,220 1,223 2,227 1,228 2,231 1,233 5,235 3,239 1,240 1,243 1,245 2,247 1,252 1,260 2,264 871,265 17.154,266 17.154,267 17.154,268 17.154,269 17.154,270 14.822,271 23.673,272 10.164,273 17.756,274 13.843,275 13.843,276 13.843,277 13.843,278 13.843,279 10.419,280 39.072,281 4.84,282 14.974,283 3.365,284 1.666,285 0.909,286 0.216,287 0.054,288 0.054,289 3.967,290 2,293 1,294 1,295 535,296 2.449,299 52.461,300 218.441,303 97.486,307 1.584,308 23.81,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 54.667,320 242,321 4.489,322 3.486,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.213,331 3.186,332 6.067,333 3.782,334 2.859,335 3.823,336 0.532,337 8.787,338 2.617,339 4.002,340 2.936,341 5.684,342 3.531,343 2.605,344 3.608,345 0.4,346 7.742,347 2.402,348 3.622,349 2.742,350 5.497,351 3.221,352 2.323,353 2.945,354 0.4,355 7.094,356 2.055,357 3.332,358 2.325,359 4.96,360 2.913,361 2.004,362 2.595,364 5.795,365 1.797,366 3.051,367 2.054,368 4.617,369 2.621,370 1.678,371 2.254,373 4.646,374 1.562,375 2.878,376 1.827,377 4.129,378 2.396,379 1.419,380 2.049,382 3.671,383 1.383,384 2.82,385 1.751,386 3.624,387 2.329,388 1.414,389 1.946,391 2.971,392 1.226,393 2.656,394 1.473,395 3.593,396 2.137,397 1.189,398 1.728,400 2.662,401 1.118,402 2.236,403 1.27,404 3.482,405 2.095,406 1.125,407 1.218,409 2.513,410 1.075,411 1.788,412 1.113,413 3.417,414 1.555,415 0.659,416 0.721,417 1.779,418 0.584,419 1.522,420 0.775,421 2.957,422 1.141,423 0.274,424 0.329,425 0.654,426 0.212,427 1.46,428 0.52,429 2.868,430 1.08,431 0.187,432 0.23,433 0.446,434 0.154,435 0.953,436 -0.037,437 2.53,438 0.495,439 -0.381,440 -0.479,441 -0.899,442 -0.291,443 0.83,444 -0.051,445 2.189,446 0.388,447 -0.468,448 -0.567,449 -1.223,450 -0.353,451 12.195,452 0.488,453 0.554,454 0.022,455 37.5,456 1.5,457 20,458 0.8,459 17.5,460 0.7,461 16.759,462 0.67,463 25.605,464 0.692,465 25.25,466 1.01,467 7.498,468 0.3,469 4.705,470 0.188,471 0.117,473 0.328,478 0.876,479 1.282,480 0.5,481 0.842,482 0.782,483 0.735,484 0.968,485 1.005,486 0.644,487 0.806,488 0.819,489 0.83,490 0.951,491 1.235,492 0.94,493 1.024,494 0.942,495 0.985,496 1.18,497 1.09,498 1.293,499 1.132,500 1.232,501 1.105,502 0.89,503 0.954,504 0.865,505 0.859,506 0.841,507 0.85,508 0.996,509 1.079,510 1.008,511 0.924,512 1.045,513 0.89,514 0.902,515 1.072,516 1.031,517 1.14,518 0.988,519 1.169,520 0.902,521 0.972,522 1.073,523 1.065,524 1.02,525 1.147,526 4.5,527 0.099,528 2.667,529 1.5,530 1.449,531 0.472,532 0.416,533 0.233,534 0.156,535 0.164,536 7531,537 26082,538 2.154,539 32.4,541 7,542 2,543 1,544 2,549 1.68,550 2.055,551 3.255,552 0.352,558 68.243,559 1.844,560 3.543,561 4.3,562 4.993,563 5.155,564 5.155,565 2.628,566 4.404,567 4.621,568 3.437,569 1031.16,570 7.985,571 12560.6,576 192.75,577 1.26,578 4.592,579 0.161,580 0.005,581 0.068,582 0.039,583 0.044,584 0.015,585 0.013,586 0.009,587 0.008,588 0.009,589 0.372,590 0.17,591 1,592 0.477,593 120.471,594 -0.13,595 -0.183,596 0.001,597 -0.054,598 -0.165,599 0.006,600 0.028,601 0.057,602 -0.011,603 0.038,604 -0.005,605 -0.041,606 -0.053,607 -0.188,608 -0.028,609 -0.111,610 -0.032,611 -0.083,612 -0.113,613 -0.08,614 -0.212,615 -0.172,616 -0.172,617 -0.181,618 0.072,619 0.099,620 0.086,621 0.077,622 0.163,623 0.095,624 -0.106,625 -0.08,626 -0.039,627 0.037,628 -0.073,629 0.079,630 0.056,631 -0.043,632 -0.124,633 -0.216,634 -0.04,635 -0.254,636 -0.003,637 -0.034,638 -0.106,639 -0.055,640 -0.095,641 -0.076,642 1.34,643 2.163,644 0.84,645 19.606,646 1.03,647 1.118,648 3.412,649 11.642,650 0.742,651 3.367,652 3.689,653 3.97,654 4.234,655 4.431,656 4.443,657 4.533,658 4.654,659 4.682,660 4.727,661 6.034,662 0.724,663 375.23,664 3.367,665 4.905,666 5.759,667 6.635,668 7.503,669 8.382,670 9.255,671 10.135,672 11.011,673 11.893,674 10.8,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 2,716 37,718 18,719 2,720 28,722 40,723 17,724 16,725 6,726 6,728 4,729 5,730 2,740 16,741 1,760 12,761 6,762 2,763 8,764 2,769 4,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,824 2,827 25,833 1,834 2,835 2,849 2,850 5.4,855 2,858 12.167,859 6.686,860 5.444,861 2.01,863 3.45,864 1.464,865 1.023,866 4.633,867 10.884,868 3.638,869 4.256,870 4.818,871 5.365,872 5.885,873 6.001,874 6.295,875 6.715,876 7.035,877 7.338,878 1,879 38,880 9.143,881 3.895,882 7.782,883 17.145,884 13.813,885 2.282,886 57.056,890 117.711,891 109.26,892 69.593,893 78.297,894 22,897 109.26,898 218.008,899 69.593,901 6.65,902 66.334,903 45.342,904 90.07,905 27.769,906 82.398,907 78.297,908 117.711,909 178.853,910 22,911 78.297,913 117.711,914 22,917 53.618,918 91.663,919 111.868,921 117.711,922 91.592,923 187.557,926 117.711,927 33.879,928 75.381,929 36.022,930 133.868,931 117.711,932 91.592,933 187.557,935 0.581,936 0.344,937 0.188,938 0.1,939 20,940 8,941 0.1,942 4,943 1,944 1.095,945 3.774,946 210.087,947 0.095,948 21,949 116.096,954 16.418,955 7.055,956 3.501,958 91.592,959 14.218,960 8.627,964 4.551,966 36.022,967 396.861,968 37,980 38.127,981 41.376,983 0.354,984 0.68,985 0.825,986 0.958,987 0.99,988 0.99,989 4.864,990 1.414,991 5.733,992 3.671,993 4.369,994 4.942,995 1.805,996 6.532,997 4.21,998 6.068,999 1.189,1000 7.281,1001 2.971,1002 3.892,1003 4.691,1005 7.391,1006 3.568,1007 7.372,1008 1.125,1009 8.93,1010 2.662,1011 5.948,1012 7.131,1013 2.17,1014 10.501,1015 5.642,1016 8.712,1017 0.659,1018 10.638,1019 2.513,1020 6.312,1021 7.685,1023 12.212,1024 5.842,1025 10.082,1026 0.274,1027 12.386,1028 1.779,1029 7.811,1030 9.59,1031 2.746,1032 14.826,1033 7.354,1034 11.475,1035 0.187,1036 14.161,1037 0.654,1038 8.569,1039 10.531,1041 16.897,1042 7.972,1043 12.884,1044 -0.381,1045 15.957,1046 0.446,1047 9.839,1048 12.194,1049 3.372,1050 19.344,1051 9.23,1052 3.145,1053 -0.468,1054 17.767,1055 -0.899,1056 10.786,1057 13.34,1059 21.577,1060 10.062,1061 2.859,1062 10.781,1063 19.59,1064 -1.223,1065 11.962,1066 14.881,1067 4.015,1068 23.968,1069 11.204,1070 2.605,1071 8.787,1072 21.423,1073 4.173,1074 13,1075 16.139,1077 26.275,1078 12.146,1079 2.323,1080 7.742,1081 23.264,1082 3.823,1083 14.139,1084 17.616,1085 4.667,1086 28.648,1087 13.237,1088 2.004,1089 7.094,1090 25.112,1091 3.608,1092 15.221,1093 18.939,1095 30.99,1096 14.235,1097 1.678,1098 5.795,1099 26.966,1100 2.945,1101 16.349,1102 20.382,1103 5.323,1104 33.36,1105 15.305,1106 1.419,1107 4.646,1108 28.825,1109 2.595,1110 17.454,1111 21.742,1113 35.718,1114 16.333,1115 7048,1116 13262,1117 19.186,1118 27.455,1119 41.781,1120 43.338,1121 42.729,1122 41.996,1123 41.767,1124 55.238,1125 5.446,1126 119.078,1127 38.232,1128 5.346,1129 5.486,1130 6.371,1131 5.162,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 8.92,1138 1.492,1139 1.548,1140 1.526,1141 1.5,1142 1.492,1143 1.973,1144 0.195,1145 4.253,1146 1.365,1147 3.997,1148 4.024,1149 4.062,1150 3.885,1151 5.093,1152 3.895,1153 3.909,1154 3.93,1155 4.002,1156 3.834,1157 5.002,1158 3.832,1159 3.763,1160 3.804,1161 3.758,1162 3.609,1163 4.895,1164 3.632,1165 3.306,1166 3.326,1167 3.495,1168 3.051,1169 4.709,1170 3.082,1171 3.117,1172 3.194,1173 3.295,1174 2.916,1175 4.346,1176 2.933,1177 2.986,1178 3.061,1179 3.032,1180 2.813,1181 4.138,1182 2.816,1183 2.878,1184 2.922,1185 2.923,1186 2.788,1187 4.041,1188 2.766,1189 2.649,1190 2.71,1191 2.853,1192 2.505,1193 3.98,1194 2.504,1195 0.16,1196 0.124,1197 0.239,1198 0.146,1199 0.112,1200 4.489,1201 0.149,1202 3.486,1203 0.05,1204 6.684,1205 0.385,1206 4.083,1207 0.105,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.895,1214 1.868,1215 1.979,1216 2.029,1217 1.065,1218 2.013,1219 1.856,1220 1.84,1221 1.912,1222 1.946,1223 1.053,1224 1.948,1225 1.691,1226 1.648,1227 1.784,1228 1.839,1229 0.776,1230 1.831,1231 1.166,1232 1.133,1233 1.435,1234 1.521,1235 0.578,1236 1.486,1237 1.038,1238 0.971,1239 1.238,1240 1.296,1241 0.276,1242 1.286,1243 0.889,1244 0.824,1245 1.129,1246 1.158,1247 0.18,1248 1.158,1249 0.867,1250 0.813,1251 1.09,1252 1.017,1253 0.158,1254 1.06,1255 0.78,1256 0.782,1257 0.864,1258 0.951,1260 0.93,1261 4.043,1263 5.361,1264 2.398,1265 6.876,1266 4.595,1267 8.482,1268 6.605,1269 10.134,1272 12.42,1277 0.16,1278 6.235,1279 10.846,1289 26.804,1290 68.243,1291 131.098,1292 159.098,1293 184.75,1294 190.75,1295 190.75,1296 30.575,1297 7.433,1298 68.3,1299 68.3,1300 23,1301 12.429,1302 4.248,1303 3.322,1304 35.944,1305 91,1306 81,1307 0.192,1308 169.756,1309 288.76,1310 405.963,1311 18037,1312 5.4,1313 17.225,1314 0.689,1315 0.572,1316 18.225,1317 14.305,1318 12.204,1319 0.436,1320 0.291,1321 7.331,1322 11.125,1323 7.16,1324 5.892,1325 12.781,1326 8.159,1327 10.965,1328 0.281,1329 0.153,1330 11.707,1331 5.966,1332 9.414,1333 0.181,1334 0.08,1335 10.152,1336 4.162,1337 7.894,1338 0.116,1339 0.04,1340 8.423,1341 2.744,1342 6.322,1343 0.076,1344 0.022,1345 6.88,1346 1.797,1347 0.301,1348 83.067,1349 0.228,1350 24.218,1351 0.529,1352 134,1353 447.834,1354 180.449,1355 487.077,1356 652.72,1357 456,1358 158,1359 442.423,1360 198.037,1361 464.052,1362 684.37,1363 436,1364 4.946}
{0 CHEMBL256101,1 1.675,2 15.629,3 5.086,4 25.866,5 135.636,6 8.508,7 0.59,8 4.208,9 4.319,10 3.894,11 3.786,12 5.3,13 3.763,14 4.759,15 4.917,16 4.302,17 4.2,18 5.838,19 4.162,20 5.05,21 5.245,22 4.392,23 4.342,24 6.133,25 4.268,26 5.026,27 5.241,28 4.399,29 4.285,30 6.123,31 4.187,32 4.926,33 5.141,34 4.189,35 4.184,36 5.943,37 4.091,38 4.841,39 5.063,40 4.22,41 4.105,42 5.919,43 4.041,44 4.76,45 4.947,46 4.131,47 4.082,48 5.921,49 3.997,50 4.703,51 4.926,52 3.806,53 3.976,54 5.669,55 3.853,56 0.119,57 0.883,58 10.067,59 5.173,60 9.247,61 6.537,62 0.279,63 1.443,64 21.631,65 9.181,66 24.395,67 11.55,68 0.619,69 1.755,70 36.615,71 12.654,72 64.05,73 15.704,74 0.668,75 1.654,76 42.833,77 12.976,78 79.492,79 16.472,80 0.495,81 1.537,82 37.482,83 11.553,84 48.084,85 14.957,86 0.516,87 1.458,88 30.461,89 9.452,90 46.867,91 12.308,92 0.573,93 1.302,94 31.96,95 9.42,96 56.4,97 12.181,98 0.308,99 1.278,100 23.336,101 9.463,102 35.308,103 12.758,104 17,105 56,106 0.268,107 0.593,108 0.752,109 0.827,110 0.827,111 0.827,112 3.588,113 0.957,114 -2.37,115 -2.4,116 -2.35,118 43.3,119 1,120 2,124 4,138 9,139 3,140 4,142 2,146 1,161 1,167 10,169 1,170 1,171 4,173 2,175 2,178 14,180 2,181 1,182 8,183 1,184 1,186 2,188 12,189 2,192 10,193 1,197 1,199 14,204 12,206 1,208 3,211 6,213 2,215 6,220 1,223 7,224 2,225 2,227 2,228 9,233 1,235 13,236 2,239 1,240 2,246 1,247 12,252 1,257 4,258 1,260 4,264 2364,265 23.585,266 23.585,267 23.585,268 23.585,269 23.585,270 20.783,271 27.254,272 13.679,273 24.261,274 19.234,275 19.234,276 19.234,277 19.234,278 19.234,279 15.065,280 35.708,281 6.468,282 20.442,283 4.232,284 2.207,285 1.213,286 0.746,287 0.746,288 0.746,289 4.294,290 2,294 1,295 1204,296 3.464,299 116.017,300 442.994,304 169.406,307 2.704,308 34.356,311 0.75,312 0.83,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.78,319 75.167,320 547,321 4.605,322 3.624,323 6.971,324 4.209,325 3.279,326 4.526,327 1.121,328 11.772,329 3.083,330 4.365,331 3.397,332 6.749,333 4.157,334 3.19,335 4.074,336 0.86,337 10.965,338 3.046,339 4.279,340 3.107,341 6.459,342 3.9,343 2.957,344 3.652,345 0.4,346 9.979,347 2.767,348 4.058,349 2.918,350 5.6,351 3.643,352 2.684,353 3.279,355 7.727,356 2.571,357 3.732,358 2.684,359 5.322,360 3.314,361 2.389,362 3.175,364 6.912,365 2.202,366 3.457,367 2.623,368 5.127,369 3.032,370 2.08,371 2.811,373 6.067,374 1.974,375 3.411,376 2.246,377 5.067,378 2.96,379 1.986,380 2.777,382 5.801,383 1.911,384 3.268,385 2.139,386 4.901,387 2.809,388 1.879,389 2.566,391 5.563,392 1.753,393 3.232,394 1.973,395 4.841,396 2.707,397 1.861,398 2.481,400 5.104,401 1.441,402 2.722,403 1.613,404 3.93,405 2.444,406 1.461,407 1.828,409 3.131,410 1.435,411 2.5,412 1.362,413 3.899,414 2.222,415 1.241,416 1.5,417 3.034,418 1.204,419 2.48,420 1.318,421 3.648,422 2.049,423 1.116,424 1.48,425 2.448,426 1.03,427 2.427,428 1.1,429 3.618,430 2,431 1,432 1.395,433 2.411,434 1,435 2.176,436 1,437 3.414,438 1.935,439 0.98,440 1.164,441 2.275,442 0.927,443 1.621,444 0.744,445 3.345,446 1.591,447 0.618,448 0.618,449 1.464,450 0.6,451 17.095,452 0.488,453 0.944,454 0.027,455 46,456 1.314,457 23,458 0.657,459 23,460 0.657,461 31.925,462 0.912,463 36.905,464 0.615,465 35.197,466 1.006,467 8.88,468 0.254,469 8.02,470 0.229,471 0.132,472 0.023,473 0.292,478 0.608,479 1.227,480 0.569,481 0.925,482 0.568,483 0.875,484 0.899,485 1.086,486 0.652,487 0.886,488 0.7,489 0.866,490 1.287,491 0.986,492 0.919,493 0.885,494 1.436,495 0.933,496 1.106,497 1.028,498 0.878,499 0.872,500 1.2,501 0.907,502 1.105,503 1.124,504 1.104,505 1.023,506 0.792,507 0.99,508 1.134,509 0.961,510 0.771,511 0.722,512 0.773,513 0.766,514 0.934,515 1.035,516 1.228,517 1.164,518 1.037,519 1.107,520 0.641,521 1.096,522 0.718,523 1.066,524 0.832,525 1.144,526 8,527 0.21,528 4,529 2.694,530 1.858,531 1.219,532 0.958,533 0.398,534 0.357,535 0.22,536 21860,537 61265,538 2.116,539 41.7,540 3,541 17,544 1,546 4,549 1.759,550 1.991,551 3.842,552 -0.345,558 100.496,559 1.675,560 3.7,561 4.694,562 5.161,563 5.161,564 5.161,565 3.303,566 4.536,567 5.097,568 4.111,569 2445.76,570 8.905,571 40760,576 354.413,577 1.482,578 5.06,579 0.205,580 0.008,581 0.071,582 0.048,583 0.037,584 0.026,585 0.021,586 0.009,587 0.011,588 0.008,589 0.446,590 0.33,591 0.75,592 0.504,593 194.05,594 0.091,595 -0.058,596 0.03,597 -0.021,598 -0.017,599 0.001,600 -0.009,601 0.015,602 0.055,603 0.031,604 0.065,605 0.04,606 -0.133,607 0.027,608 -0.027,609 0.065,610 -0.132,611 0.006,612 -0.007,613 -0.062,614 0.13,615 0.115,616 0.004,617 0.075,618 -0.099,619 -0.131,620 -0.071,621 -0.043,622 -0.066,623 -0.013,624 -0.1,625 0.097,626 0.115,627 0.199,628 0.025,629 0.169,630 0.08,631 -0.005,632 -0.149,633 -0.182,634 0.028,635 -0.153,636 0.043,637 -0.097,638 -0.035,639 -0.122,640 -0.079,641 -0.155,642 1.641,643 5.403,644 0.771,645 50.049,646 1.009,647 1.123,648 1.135,649 1.289,650 0.7,651 3.689,652 4.043,653 4.304,654 4.564,655 4.754,656 4.836,657 4.99,658 5.147,659 5.293,660 5.38,661 9.178,662 0.666,663 510.46,664 3.689,665 5.252,666 6.107,667 6.997,668 7.863,669 8.755,670 9.627,671 10.52,672 11.395,673 12.289,674 8.3,682 1,684 3,686 1,687 1,689 2,690 9,691 3,695 8,697 23,709 1,714 1,715 2,716 60,718 23,719 3,720 39,722 64,723 26,724 19,725 9,726 9,728 5,729 6,730 2,732 1,735 2,738 2,740 19,741 7,760 25,761 6,762 1,763 9,764 2,769 5,770 1,774 1,775 0.8,776 2,790 1,793 1,794 4,798 1,819 4,823 1,824 2,827 35,833 6,834 1,835 1,840 1,849 2,850 3.3,855 1,857 1,858 17.583,859 11.195,860 7.514,861 3.812,863 4.391,864 1.519,865 0.989,866 6.876,867 12.851,868 3.942,869 4.58,870 5.168,871 5.773,872 6.366,873 6.697,874 7.182,875 7.683,876 8.152,877 8.492,878 1,879 56,880 12.943,881 5.594,882 7.711,883 24.796,884 20.717,885 2.211,886 77.389,890 282.506,891 140.835,892 68.122,893 78.297,894 37.836,897 140.835,898 398.64,899 68.122,900 8.825,901 42.815,902 85.286,903 50.112,904 57.857,905 1.899,906 282.506,907 78.297,908 282.506,909 208.958,910 37.836,911 78.297,913 262.258,914 58.084,917 49.002,918 109.844,919 128.409,921 282.506,922 105.958,923 219.133,926 282.506,927 46.724,928 94.111,929 18.011,930 166.245,931 282.506,932 105.958,933 219.133,935 0.591,936 0.344,937 0.183,938 0.092,939 28,940 12,941 0.109,942 7,943 1,944 1.074,945 4.698,946 328.115,947 0.074,948 27,949 165.525,954 23.927,955 10.059,956 5.401,957 1.396,958 105.958,959 16.817,960 13.264,964 5.646,966 18.011,967 607.598,968 50.5,980 60.531,981 67.366,983 0.284,984 0.626,985 0.795,986 0.874,987 0.874,988 0.874,989 5.197,990 1.879,991 6.12,992 5.801,993 4.727,994 5.268,995 1.499,996 6.961,997 4.61,998 6.424,999 1.861,1000 7.702,1001 5.563,1002 4.443,1003 5.156,1004 0.81,1005 8.093,1006 4.221,1007 7.753,1008 1.461,1009 9.39,1010 5.104,1011 6.392,1012 7.511,1013 1.332,1014 11.113,1015 6.17,1016 9.116,1017 1.241,1018 11.142,1019 3.131,1020 6.919,1021 8.188,1022 1.011,1023 13.066,1024 6.601,1025 10.509,1026 1.116,1027 12.936,1028 3.034,1029 8.362,1030 10.05,1031 1.338,1032 15.661,1033 8.033,1034 11.922,1035 1,1036 14.761,1037 2.448,1038 9.246,1039 11.111,1040 1.17,1041 17.917,1042 8.831,1043 13.352,1044 0.98,1045 16.606,1046 2.411,1047 10.505,1048 12.764,1049 1.41,1050 20.392,1051 10.063,1052 3.279,1053 0.618,1054 18.469,1055 2.275,1056 11.545,1057 14.03,1058 1.334,1059 22.759,1060 11.029,1061 3.19,1062 11.772,1063 20.343,1064 1.464,1065 12.737,1066 15.588,1067 1.522,1068 25.201,1069 12.182,1070 2.957,1071 10.965,1072 22.228,1073 4.526,1074 13.845,1075 16.962,1076 1.508,1077 27.609,1078 13.224,1079 2.684,1080 9.979,1081 24.12,1082 4.074,1083 15.015,1084 18.479,1085 1.662,1086 30.045,1087 14.347,1088 2.389,1089 7.727,1090 26.018,1091 3.652,1092 16.154,1093 19.911,1094 1.69,1095 32.471,1096 15.424,1097 2.08,1098 6.912,1099 27.921,1100 3.279,1101 17.317,1102 21.411,1103 1.824,1104 34.909,1105 16.536,1106 1.986,1107 6.067,1108 29.828,1109 3.175,1110 18.471,1111 22.874,1112 1.88,1113 37.344,1114 17.631,1115 20240,1116 34170,1117 26.235,1118 42.029,1119 58.539,1120 59.251,1121 60.108,1122 58.678,1123 58.303,1124 75.69,1125 4.762,1126 171.498,1127 54.661,1128 5.564,1129 5.624,1130 6.545,1131 5.295,1132 5.279,1133 7.526,1134 1.981,1135 18.669,1136 5.083,1137 16.311,1138 1.501,1139 1.519,1140 1.541,1141 1.505,1142 1.495,1143 1.941,1144 0.122,1145 4.397,1146 1.402,1147 4.098,1148 4.13,1149 4.152,1150 4.025,1151 7.235,1152 4.028,1153 3.952,1154 4.009,1155 3.966,1156 3.833,1157 5.174,1158 3.836,1159 3.89,1160 3.923,1161 3.861,1162 3.772,1163 5.001,1164 3.772,1165 3.833,1166 3.858,1167 3.793,1168 3.722,1169 4.846,1170 3.729,1171 3.448,1172 3.509,1173 3.582,1174 3.236,1175 4.632,1176 3.259,1177 3.369,1178 3.44,1179 3.379,1180 3.177,1181 4.463,1182 3.183,1183 3.19,1184 3.262,1185 3.221,1186 3.059,1187 4.35,1188 3.045,1189 2.997,1190 3.052,1191 3.07,1192 2.849,1193 4.178,1194 2.838,1195 0.118,1196 0.093,1197 0.179,1198 0.108,1199 0.084,1200 4.605,1201 0.116,1202 3.624,1203 0.029,1204 6.971,1205 0.302,1206 4.209,1207 0.079,1208 3.279,1209 4.526,1210 1.121,1211 11.772,1212 3.083,1213 2.036,1214 2.016,1215 2.088,1216 2.135,1217 1.247,1218 2.121,1219 1.885,1220 1.86,1221 1.99,1222 2.006,1223 1.242,1224 2.001,1225 1.808,1226 1.787,1227 1.884,1228 1.933,1229 1.211,1230 1.922,1231 1.665,1232 1.595,1233 1.872,1234 1.886,1235 1.062,1236 1.892,1237 1.577,1238 1.507,1239 1.86,1240 1.751,1241 1.001,1242 1.793,1243 1.334,1244 1.269,1245 1.556,1246 1.583,1247 0.8,1248 1.571,1249 1.214,1250 1.146,1251 1.519,1252 1.465,1253 0.607,1254 1.483,1255 1.183,1256 1.116,1257 1.374,1258 1.377,1259 0.375,1260 1.401,1261 4.369,1263 5.714,1264 2.398,1265 7.248,1266 4.595,1267 8.869,1268 6.555,1269 10.536,1271 1.97,1272 12.776,1277 4.3,1278 3.186,1279 5.77,1284 -0.141,1289 39.986,1290 100.496,1291 221.997,1292 281.619,1293 309.659,1294 309.659,1295 309.659,1296 64.353,1297 8.459,1298 77,1299 77,1300 29,1301 12.819,1302 4.585,1303 3.644,1304 52.753,1305 194,1306 181,1307 0.13,1308 249.633,1309 426.92,1310 600.864,1311 66873,1312 3.3,1313 24.416,1314 0.698,1315 0.595,1316 25.416,1317 20.834,1318 16.9,1319 0.433,1320 0.319,1321 11.597,1322 15.733,1323 11.296,1324 9.285,1325 17.477,1326 12.441,1327 15.807,1328 0.282,1329 0.175,1330 16.549,1331 9.813,1332 13.181,1333 0.181,1334 0.097,1335 13.855,1336 7.061,1337 11.175,1338 0.118,1339 0.054,1340 12.027,1341 5.173,1342 8.488,1343 0.074,1344 0.026,1345 8.859,1346 2.956,1347 0.214,1348 111.662,1349 0.195,1350 33.082,1351 0.334,1352 190,1353 555.717,1354 237.508,1355 595.909,1356 797.54,1357 556,1358 224,1359 547.916,1360 265.335,1361 569.08,1362 835.47,1363 537,1364 8.138}
{0 CHEMBL256348,1 2.002,2 11.286,3 3.472,4 12.057,5 103.868,6 9.997,7 0.581,8 3.909,9 3.988,10 3.845,11 3.465,12 5.108,13 3.473,14 4.403,15 4.499,16 4.148,17 3.823,18 5.923,19 3.829,20 4.564,21 4.706,22 4.152,23 3.901,24 5.865,25 3.878,26 4.58,27 4.737,28 4.059,29 3.823,30 5.885,31 3.796,32 4.527,33 4.726,34 3.983,35 3.734,36 5.749,37 3.703,38 4.358,39 4.539,40 3.861,41 3.669,42 5.576,43 3.622,44 4.307,45 4.468,46 3.832,47 3.573,48 5.542,49 3.544,50 4.262,51 4.463,52 3.694,53 3.469,54 5.596,55 3.408,56 0.225,57 0.683,58 6.545,59 3.682,60 26.182,61 3.04,62 0.671,63 1.021,64 12.09,65 6.255,66 73.556,67 5.65,68 0.661,69 1.155,70 17.687,71 7.323,72 52.802,73 6.848,74 0.793,75 1.121,76 20.79,77 7.513,78 61.093,79 7.106,80 0.783,81 1.042,82 19.829,83 6.586,84 70.535,85 7.133,86 0.571,87 0.913,88 19.107,89 6.302,90 43.118,91 7.135,92 0.573,93 0.876,94 13.689,95 5.065,96 43.025,97 5.213,98 0.617,99 0.816,100 15.5,101 5.599,102 53.16,103 6.619,104 18,105 45,106 0.345,107 0.659,108 0.791,109 0.871,110 0.871,111 0.871,112 3.374,113 0.959,114 -2.83,115 -2.84,116 -2.75,118 40.5,125 1,138 7,140 6,141 1,143 1,146 1,158 1,159 1,160 1,167 3,170 3,171 3,172 2,173 5,175 3,178 3,182 6,184 1,186 6,188 3,190 2,192 10,195 2,196 1,197 4,201 2,203 1,204 8,211 2,214 1,215 2,218 2,219 1,220 2,222 1,223 3,227 1,228 2,231 1,233 4,235 2,239 5,240 1,242 2,243 3,245 1,252 2,260 4,264 1178,265 18.574,266 18.574,267 18.574,268 18.574,269 18.574,270 16.021,271 26.651,272 10.739,273 19.223,274 15.323,275 15.323,276 15.323,277 15.323,278 15.323,279 11.424,280 42.597,281 5.113,282 16.478,283 3.39,284 1.563,285 0.801,286 0.333,287 0.333,288 0.333,289 4.068,290 1,293 1,294 1,295 688,296 3.464,299 63.178,300 261.234,303 117.347,307 1.929,308 38.623,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 62.833,320 316,321 4.801,322 4.661,323 7.111,324 4.229,325 3.314,326 4.66,327 1.392,328 11.657,329 3,330 4.489,331 3.486,332 6.684,333 4.082,334 3.145,335 4.173,336 0.532,337 10.781,338 2.93,339 4.102,340 2.949,341 5.722,342 3.666,343 2.739,344 3.695,345 0.4,346 8.054,347 2.544,348 3.846,349 2.859,350 5.601,351 3.412,352 2.458,353 3.394,354 0.4,355 7.38,356 2.345,357 3.617,358 2.553,359 5.307,360 3.201,361 2.293,362 2.943,364 6.77,365 2.046,366 3.329,367 2.18,368 4.875,369 2.886,370 1.96,371 2.6,373 5.602,374 1.795,375 3.077,376 2.005,377 4.619,378 2.627,379 1.679,380 2.288,382 4.672,383 1.572,384 3.008,385 1.811,386 4.545,387 2.521,388 1.548,389 2.2,391 4.549,392 1.498,393 2.664,394 1.637,395 3.622,396 2.144,397 1.201,398 1.74,400 2.68,401 1.124,402 2.5,403 1.293,404 3.485,405 2.096,406 1.126,407 1.5,409 2.514,410 1.075,411 2.236,412 1.115,413 3.417,414 2,415 1,416 1.218,417 2.275,418 1,419 1.788,420 1,421 3.414,422 1.555,423 0.659,424 0.721,425 1.78,426 0.584,427 1.522,428 0.775,429 3.011,430 1.141,431 0.274,432 0.329,433 0.652,434 0.212,435 1.38,436 0.485,437 2.924,438 1.02,439 0.085,440 0.105,441 0.226,442 0.079,443 1,444 -0.044,445 2.628,446 0.476,447 -0.417,448 -0.514,449 -1.044,450 -0.334,451 13.381,452 0.478,453 0.86,454 0.031,455 42.25,456 1.509,457 23,458 0.821,459 19.25,460 0.688,461 18.932,462 0.676,463 29.819,464 0.71,465 31.389,466 1.121,467 8.246,468 0.294,469 5.152,470 0.184,471 0.133,472 0.062,473 0.299,478 0.788,479 1.315,480 0.672,481 1.114,482 0.812,483 0.779,484 0.819,485 0.987,486 0.805,487 0.925,488 0.527,489 0.861,490 1.051,491 1.229,492 1.017,493 1.053,494 0.997,495 1.045,496 1.119,497 1.122,498 1.128,499 1.073,500 1.064,501 1.129,502 0.949,503 0.914,504 0.776,505 0.718,506 0.92,507 0.86,508 0.725,509 0.983,510 1.042,511 0.914,512 0.488,513 0.947,514 0.909,515 1.134,516 0.93,517 1.037,518 0.848,519 1.13,520 0.579,521 0.806,522 0.761,523 0.784,524 0.504,525 0.939,526 7,527 0.126,528 3.333,529 1.875,530 1.489,531 0.771,532 0.475,533 0.385,534 0.292,535 0.23,536 10504,537 40073,538 2.085,539 33.3,541 7,542 2,543 1,544 4,549 1.707,550 1.942,551 3.435,552 1.804,554 1,558 84.078,559 2.002,560 3.829,561 4.591,562 5.059,563 5.059,564 5.059,565 2.874,566 3.941,567 4.782,568 3.684,569 1392.61,570 8.292,571 18815.4,573 1,575 1,576 226.477,577 1.572,578 4.728,579 0.226,580 0.005,581 0.074,582 0.044,583 0.039,584 0.023,585 0.014,586 0.013,587 0.011,588 0.01,589 0.459,590 0.17,591 0.88,592 0.744,593 141.969,594 -0.083,595 -0.135,596 0.107,597 -0.082,598 -0.242,599 0.05,600 0.147,601 0.092,602 -0.054,603 0.01,604 0.312,605 -0.029,606 -0.177,607 -0.193,608 -0.134,609 -0.121,610 -0.113,611 -0.132,612 -0.152,613 -0.133,614 -0.188,615 -0.164,616 -0.134,617 -0.194,618 -0.062,619 0.043,620 0.105,621 0.124,622 -0.102,623 0.134,624 0.054,625 -0.003,626 -0.038,627 0.005,628 0.065,629 0.062,630 -0.039,631 -0.117,632 -0.078,633 -0.163,634 -0.134,635 -0.205,636 0.282,637 0.166,638 0.128,639 0.122,640 0.259,641 0.083,642 4.663,643 4.323,644 0.75,645 25.939,646 1.039,647 1.125,648 1.599,649 2.556,650 0.718,651 3.466,652 3.829,653 4.06,654 4.304,655 4.5,656 4.575,657 4.654,658 4.762,659 4.779,660 4.868,661 7.007,662 0.705,663 419.88,664 3.466,665 5.03,666 5.878,667 6.767,668 7.63,669 8.519,670 9.387,671 10.275,672 11.146,673 12.034,674 11.9,678 1,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 1,716 42,718 20,719 2,720 31,722 45,723 17,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 1,744 2,747 1,749 2,757 1,760 14,761 9,762 4,763 11,764 2,769 5,775 0.75,776 4,788 1,793 1,794 3,797 1,819 3,821 1,824 1,827 28,828 1,831 1,833 1,834 2,835 2,849 1,850 9.5,853 2,855 2,858 14.417,859 7.376,860 5.917,861 2.12,863 3.634,864 1.472,865 1.027,866 5.097,867 11.325,868 3.761,869 4.425,870 4.922,871 5.459,872 5.981,873 6.191,874 6.478,875 6.835,876 7.159,877 7.527,878 1,879 43,880 10.487,881 4.769,882 8.066,883 18.952,884 15.547,885 2.566,886 71.861,889 1,890 117.711,891 113.118,892 100.884,893 39.149,894 66.313,896 5.807,897 107.31,898 223.172,899 100.884,901 6.65,902 103.433,903 89.655,904 88.12,905 27.769,906 82.398,907 39.149,908 117.711,909 208.194,910 66.313,911 44.956,913 117.711,914 66.313,917 53.618,918 121.005,919 78.527,921 117.711,922 167.197,923 152.266,925 5.807,926 117.711,927 31.929,928 75.381,929 36.022,930 170.324,931 117.711,932 167.197,933 152.266,935 0.596,936 0.336,937 0.173,938 0.091,939 23,940 10,941 0.111,942 5,943 1,944 1.095,945 3.993,946 242.711,947 0.095,948 21,949 128.606,953 1,954 18.925,955 7.541,956 4.216,958 167.197,959 12.573,960 8.518,964 3.492,966 67.313,967 437.174,968 42,971 -3.747,973 22.647,980 43.636,981 47.269,983 0.371,984 0.71,985 0.851,986 0.938,987 0.938,988 0.938,989 5.014,990 1.548,991 5.905,992 4.672,993 4.511,994 5.112,995 1.805,996 6.749,997 4.366,998 6.267,999 1.201,1000 7.493,1001 4.549,1002 4.29,1003 5.198,1005 7.888,1006 4.022,1007 7.622,1008 1.126,1009 9.19,1010 2.68,1011 6.188,1012 7.431,1013 2.17,1014 10.895,1015 5.887,1016 9.018,1017 1,1018 10.953,1019 2.514,1020 6.758,1021 8.299,1023 12.839,1024 6.319,1025 10.446,1026 0.659,1027 12.761,1028 2.275,1029 8.182,1030 10.076,1031 2.746,1032 15.438,1033 7.708,1034 11.898,1035 0.274,1036 14.599,1037 1.78,1038 9.091,1039 11.285,1041 17.685,1042 8.486,1043 13.368,1044 0.085,1045 16.46,1046 0.652,1047 10.347,1048 12.897,1049 3.372,1050 20.166,1051 9.69,1052 3.314,1053 -0.417,1054 18.339,1055 0.226,1056 11.404,1057 14.265,1059 22.528,1060 10.628,1061 3.145,1062 11.657,1063 20.231,1064 -1.044,1065 12.6,1066 15.814,1067 4.015,1068 24.974,1069 11.756,1070 2.739,1071 10.781,1072 22.134,1073 4.66,1074 13.723,1075 17.258,1077 27.38,1078 12.77,1079 2.458,1080 8.054,1081 24.045,1082 4.173,1083 14.901,1084 18.785,1085 4.667,1086 29.818,1087 13.868,1088 2.293,1089 7.38,1090 25.964,1091 3.695,1092 16.053,1093 20.268,1095 32.242,1096 14.918,1097 1.96,1098 6.77,1099 27.888,1100 3.394,1101 17.228,1102 21.788,1103 5.323,1104 34.679,1105 16.005,1106 1.679,1107 5.602,1108 29.816,1109 2.943,1110 18.394,1111 23.291,1113 37.112,1114 17.073,1115 9957,1116 19609,1117 20.572,1118 30.159,1119 46.786,1120 48.99,1121 47.382,1122 47.058,1123 46.961,1124 63.136,1125 5.446,1126 139.182,1127 43.609,1128 5.658,1129 6.661,1130 6.662,1131 5.309,1132 5.314,1133 7.66,1134 2.783,1135 18.814,1136 5,1137 14.132,1138 1.509,1139 1.58,1140 1.528,1141 1.518,1142 1.515,1143 2.037,1144 0.176,1145 4.49,1146 1.407,1147 4.071,1148 4.065,1149 4.728,1150 4.051,1151 7.726,1152 3.969,1153 3.975,1154 3.981,1155 4.054,1156 3.87,1157 6.999,1158 3.878,1159 3.81,1160 3.844,1161 3.827,1162 3.648,1163 5.087,1164 3.658,1165 3.615,1166 3.615,1167 3.655,1168 3.518,1169 4.983,1170 3.458,1171 3.305,1172 3.324,1173 3.495,1174 3.05,1175 4.828,1176 3.081,1177 3.07,1178 3.148,1179 2.997,1180 2.852,1181 4.71,1182 2.873,1183 2.941,1184 3.02,1185 2.921,1186 2.745,1187 4.662,1188 2.754,1189 2.854,1190 2.925,1191 2.82,1192 2.735,1193 4.133,1194 2.715,1195 0.155,1196 0.15,1197 0.229,1198 0.136,1199 0.107,1200 4.801,1201 0.15,1202 4.661,1203 0.045,1204 7.111,1205 0.376,1206 4.229,1207 0.097,1208 3.314,1209 4.66,1210 1.392,1211 11.657,1212 3,1213 1.958,1214 1.962,1215 1.99,1216 2.053,1217 1.151,1218 2.07,1219 1.864,1220 1.848,1221 1.912,1222 1.978,1223 1.056,1224 1.973,1225 1.704,1226 1.666,1227 1.782,1228 1.859,1229 0.782,1230 1.851,1231 1.449,1232 1.473,1233 1.435,1234 1.637,1235 0.578,1236 1.67,1237 1.164,1238 1.132,1239 1.291,1240 1.52,1241 0.528,1242 1.485,1243 0.946,1244 0.873,1245 1.181,1246 1.243,1247 0.218,1248 1.227,1249 0.886,1250 0.821,1251 1.147,1252 1.134,1253 0.184,1254 1.137,1255 0.862,1256 0.787,1257 1.105,1258 1.062,1259 0.06,1260 1.107,1261 4.143,1263 5.493,1264 2.398,1265 7.026,1266 4.595,1267 8.64,1268 6.605,1269 10.295,1272 6.263,1275 5.092,1277 0.12,1278 6.093,1279 10.81,1289 29.615,1290 84.078,1291 160.826,1292 192.826,1293 212.477,1294 212.477,1295 212.477,1296 47.09,1297 7.691,1298 128.46,1299 136.84,1300 23,1301 12.567,1302 4.392,1303 3.585,1304 42.638,1305 120,1306 102,1307 0.174,1308 187.34,1309 320.64,1310 448.87,1311 25168,1312 2.4,1313 19.725,1314 0.704,1315 0.564,1316 20.475,1317 15.789,1318 13.398,1319 0.432,1320 0.32,1321 7.979,1322 11.702,1323 7.704,1324 6.348,1325 14.581,1326 9.905,1327 13.027,1328 0.289,1329 0.171,1330 14.785,1331 7.71,1332 10.227,1333 0.179,1334 0.089,1335 11.342,1336 5.08,1337 8.459,1338 0.116,1339 0.045,1340 9.25,1341 3.25,1342 6.628,1343 0.074,1344 0.024,1345 7.326,1346 2.123,1347 0.278,1348 97.252,1349 0.22,1350 26.945,1351 0.465,1352 152,1353 545.274,1354 221.471,1355 568.949,1356 758.78,1357 524,1358 178,1359 511.888,1360 249.779,1361 559.022,1362 814.6,1363 521,1364 6.523}
{0 CHEMBL256724,1 1.898,2 9.72,3 4.85,4 23.519,5 90.742,6 9.697,7 0.643,8 3.782,9 3.872,10 3.562,11 3.32,12 5.028,13 3.357,14 4.261,15 4.372,16 3.95,17 3.673,18 5.577,19 3.701,20 4.418,21 4.582,22 3.969,23 3.719,24 5.665,25 3.721,26 4.383,27 4.554,28 3.905,29 3.628,30 5.643,31 3.619,32 4.324,33 4.511,34 3.862,35 3.587,36 5.563,37 3.577,38 4.237,39 4.408,40 3.773,41 3.558,42 5.54,43 3.537,44 4.179,45 4.348,46 3.658,47 3.444,48 5.428,49 3.428,50 4.091,51 4.299,52 3.377,53 3.276,54 5.275,55 3.225,56 0.174,57 0.625,58 3.952,59 2.9,60 8.984,61 2.725,62 0.483,63 0.965,64 8.457,65 4.929,66 20.227,67 4.609,68 0.561,69 1.11,70 14.332,71 5.771,72 38.157,73 5.774,74 0.661,75 1.023,76 16.708,77 5.839,78 40.168,79 6.025,80 0.626,81 0.946,82 15.152,83 5.157,84 45.828,85 5.187,86 0.506,87 0.892,88 15.553,89 5.243,90 39.11,91 5.941,92 0.476,93 0.822,94 11.901,95 4.542,96 25.839,97 4.777,98 0.488,99 0.759,100 13.142,101 4.772,102 32.713,103 5.602,104 5,105 39,106 0.338,107 0.65,108 0.804,109 0.918,110 0.918,111 0.918,112 3.267,113 0.833,114 -4.53,115 -4.45,116 -4.19,118 45.9,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 2,171 3,173 3,175 3,178 4,182 2,184 1,186 3,188 2,192 6,195 2,196 1,197 3,203 1,204 6,211 2,214 1,215 4,220 2,223 3,227 1,228 2,231 1,233 3,235 1,239 1,240 1,243 1,245 2,247 1,252 2,260 4,264 882,265 17.102,266 17.102,267 17.102,268 17.102,269 17.102,270 14.797,271 25.367,272 10.141,273 17.657,274 13.865,275 13.865,276 13.865,277 13.865,278 13.865,279 10.445,280 43.19,281 4.86,282 14.878,283 3.311,284 1.558,285 0.693,286 0.054,287 0.054,288 0.054,289 3.967,290 1,293 1,294 1,295 537,296 2.449,299 52.834,300 219.818,303 98.203,307 1.616,308 29.473,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 55.833,320 243,321 4.489,322 3.486,323 6.684,324 4.082,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.135,331 3.009,332 5.735,333 3.709,334 2.772,335 3.737,336 0.532,337 8.116,338 2.602,339 3.968,340 2.932,341 5.624,342 3.508,343 2.564,344 3.572,345 0.4,346 7.489,347 2.409,348 3.625,349 2.777,350 5.398,351 3.229,352 2.327,353 2.947,354 0.4,355 6.975,356 2.072,357 3.403,358 2.455,359 4.979,360 3,361 2.083,362 2.678,364 5.895,365 1.883,366 3.168,367 2.121,368 4.649,369 2.723,370 1.796,371 2.407,373 4.961,374 1.642,375 3.033,376 1.953,377 4.593,378 2.597,379 1.653,380 2.233,382 4.621,383 1.546,384 2.685,385 1.804,386 3.622,387 2.187,388 1.224,389 1.769,391 2.697,392 1.177,393 2.64,394 1.324,395 3.491,396 2.131,397 1.164,398 1.706,400 2.576,401 1.115,402 2.236,403 1.221,404 3.473,405 2.095,406 1.125,407 1.218,409 2.511,410 1.075,411 1.788,412 1.113,413 3.417,414 1.555,415 0.659,416 0.721,417 1.779,418 0.584,419 1.522,420 0.775,421 2.956,422 1.141,423 0.274,424 0.329,425 0.651,426 0.212,427 1.294,428 0.206,429 2.864,430 0.94,435 0.928,436 0.144,437 2.53,438 0.49,439 -0.406,440 -0.509,441 -0.921,442 -0.335,443 0.866,444 -0.049,445 2.189,446 0.446,447 -0.434,448 -0.53,449 -1.117,450 -0.358,451 11.767,452 0.471,453 0.571,454 0.023,455 37.5,456 1.5,457 20,458 0.8,459 17.5,460 0.7,461 15.885,462 0.635,463 26.033,464 0.704,465 25.934,466 1.037,467 7.614,468 0.305,469 4.572,470 0.183,471 0.085,473 0.34,477 1,478 0.796,479 1.121,480 0.531,481 0.92,482 0.622,483 0.773,484 0.894,485 0.968,486 0.689,487 0.896,488 0.662,489 0.874,490 1.045,491 1.175,492 0.993,493 1.035,494 1.057,495 1.016,496 0.956,497 0.966,498 1.121,499 1.056,500 0.87,501 1.05,502 1.012,503 0.876,504 0.961,505 0.781,506 0.976,507 0.843,508 0.759,509 0.851,510 1.141,511 1.01,512 0.643,513 0.963,514 0.85,515 1.016,516 1.017,517 1.12,518 0.772,519 1.144,520 0.837,521 0.924,522 0.939,523 0.994,524 0.935,525 1.078,526 5,527 0.106,528 2.222,529 1.625,530 1.289,531 0.528,532 0.394,533 0.259,534 0.176,535 0.104,536 7615,537 26690,538 2.154,539 32.4,541 7,542 2,543 1,544 2,549 1.679,550 2.055,551 3.274,552 0.352,558 70.243,559 1.898,560 3.651,561 4.516,562 5.155,563 5.155,564 5.155,565 2.649,566 4.404,567 4.62,568 3.465,569 1039.53,570 7.981,571 12698,573 1,576 192.75,577 1.26,578 4.592,579 0.179,580 0.006,581 0.057,582 0.044,583 0.039,584 0.017,585 0.013,586 0.01,587 0.009,588 0.006,589 0.379,590 0.17,591 1,592 0.477,593 120.74,594 -0.114,595 -0.154,596 0.009,597 -0.067,598 -0.1,599 0.005,600 0.003,601 -0.02,602 -0.017,603 -0.017,604 0.01,605 -0.061,606 -0.142,607 -0.157,608 -0.086,609 -0.114,610 -0.135,611 -0.111,612 0.001,613 -0.033,614 -0.073,615 -0.108,616 -0.014,617 -0.108,618 -0.095,619 0.087,620 0.04,621 0.152,622 -0.097,623 0.105,624 0.067,625 0.032,626 -0.048,627 -0.035,628 0.116,629 0.02,630 0.007,631 -0.106,632 -0.103,633 -0.197,634 -0.031,635 -0.21,636 0.085,637 0.01,638 0.014,639 -0.004,640 0.027,641 -0.012,642 2.011,643 5.275,644 0.84,645 20.029,646 1.036,647 1.129,648 3.297,649 10.867,650 0.717,651 3.367,652 3.689,653 3.951,654 4.234,655 4.419,656 4.454,657 4.522,658 4.663,659 4.663,660 4.736,661 6.117,662 0.712,663 358.78,664 3.367,665 4.905,666 5.753,667 6.629,668 7.491,669 8.371,670 9.238,671 10.12,672 10.99,673 11.874,674 10.8,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 2,716 37,718 18,719 2,720 28,722 40,723 17,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 1,758 1,760 12,761 7,762 2,763 8,764 1,769 4,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,824 1,825 1,827 25,833 1,834 2,835 2,849 2,850 5.4,855 2,858 12.167,859 6.686,860 5.417,861 2.003,863 3.419,864 1.46,865 1.027,866 4.402,867 10.852,868 3.638,869 4.256,870 4.806,871 5.369,872 5.879,873 6.014,874 6.284,875 6.726,876 7.024,877 7.363,878 1,879 37,880 9.176,881 3.955,882 7.938,883 17.006,884 13.7,885 2.438,886 60.944,890 117.711,891 114.88,892 69.593,893 39.149,894 22,895 14.96,897 114.88,898 178.859,899 84.553,901 6.65,902 66.334,903 45.342,904 95.691,905 42.729,906 82.398,907 39.149,908 117.711,909 184.473,910 36.96,911 39.149,913 132.671,914 22,917 53.618,918 97.284,919 72.72,921 132.671,922 91.592,923 154.029,926 117.711,927 39.499,928 75.381,929 36.022,930 109.68,931 117.711,932 106.552,933 154.029,935 0.581,936 0.335,937 0.187,938 0.099,939 20,940 8,941 0.1,942 4,943 1,944 1.095,945 3.791,946 209.112,947 0.095,948 21,949 116.096,954 16.087,955 6.841,956 3.512,958 106.552,959 12.757,960 8.476,964 3.2,966 36.022,967 378.292,968 37,980 38.316,981 41.772,983 0.364,984 0.701,985 0.867,986 0.99,987 0.99,988 0.99,989 4.864,990 1.224,991 5.727,992 4.621,993 4.369,994 4.942,995 1.805,996 6.515,997 4.228,998 6.068,999 1.164,1000 7.265,1001 2.697,1002 3.892,1003 4.691,1005 7.334,1006 3.617,1007 7.369,1008 1.125,1009 8.899,1010 2.576,1011 5.938,1012 7.123,1013 2.17,1014 10.442,1015 5.663,1016 8.704,1017 0.659,1018 10.592,1019 2.511,1020 6.275,1021 7.654,1023 12.12,1024 5.866,1025 10.068,1026 0.274,1027 12.324,1028 1.779,1029 7.776,1030 9.564,1031 2.746,1032 14.739,1033 7.367,1034 11.453,1036 14.084,1037 0.651,1038 8.509,1039 10.48,1041 16.803,1042 7.98,1043 12.855,1044 -0.406,1045 15.866,1047 9.781,1048 12.15,1049 3.372,1050 19.258,1051 9.234,1052 3.145,1053 -0.434,1054 17.666,1055 -0.921,1056 10.712,1057 13.277,1059 21.496,1060 10.061,1061 2.772,1062 10.781,1063 19.48,1064 -1.117,1065 11.889,1066 14.824,1067 4.015,1068 23.895,1069 11.202,1070 2.564,1071 8.116,1072 21.307,1073 4.173,1074 12.919,1075 16.071,1077 26.211,1078 12.14,1079 2.327,1080 7.489,1081 23.145,1082 3.737,1083 14.059,1084 17.551,1085 4.667,1086 28.593,1087 13.23,1088 2.083,1089 6.975,1090 24.991,1091 3.572,1092 15.139,1093 18.868,1095 30.942,1096 14.227,1097 1.796,1098 5.895,1099 26.846,1100 2.947,1101 16.268,1102 20.314,1103 5.323,1104 33.319,1105 15.296,1106 1.653,1107 4.961,1108 28.707,1109 2.678,1110 17.374,1111 21.672,1113 35.684,1114 16.324,1115 7125,1116 13481,1117 19.186,1118 26.534,1119 41.669,1120 42.989,1121 42.537,1122 41.744,1123 41.572,1124 54.978,1125 5.446,1126 118.104,1127 38.492,1128 5.346,1129 5.486,1130 6.243,1131 5.161,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 9.06,1138 1.488,1139 1.535,1140 1.519,1141 1.491,1142 1.485,1143 1.963,1144 0.195,1145 4.218,1146 1.375,1147 3.997,1148 4.026,1149 4.055,1150 3.881,1151 8.201,1152 3.894,1153 3.911,1154 3.935,1155 3.885,1156 3.82,1157 5.086,1158 3.824,1159 3.765,1160 3.808,1161 3.731,1162 3.608,1163 4.982,1164 3.631,1165 3.306,1166 3.326,1167 3.495,1168 3.051,1169 4.71,1170 3.082,1171 3.123,1172 3.199,1173 3.054,1174 2.911,1175 4.639,1176 2.934,1177 2.989,1178 3.063,1179 2.925,1180 2.805,1181 4.134,1182 2.814,1183 2.894,1184 2.954,1185 2.875,1186 2.733,1187 4.041,1188 2.733,1189 2.646,1190 2.714,1191 2.788,1192 2.495,1193 3.963,1194 2.492,1195 0.16,1196 0.124,1197 0.239,1198 0.146,1199 0.112,1200 4.489,1201 0.149,1202 3.486,1203 0.05,1204 6.684,1205 0.385,1206 4.082,1207 0.105,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.893,1214 1.864,1215 1.988,1216 2.036,1217 1.06,1218 2.018,1219 1.855,1220 1.838,1221 1.912,1222 1.955,1223 1.046,1224 1.951,1225 1.691,1226 1.647,1227 1.782,1228 1.842,1229 0.775,1230 1.831,1231 1.166,1232 1.133,1233 1.435,1234 1.521,1235 0.578,1236 1.486,1237 1.035,1238 0.967,1239 1.235,1240 1.297,1241 0.271,1242 1.283,1243 0.889,1244 0.813,1245 1.129,1246 1.159,1247 0.179,1248 1.158,1249 0.858,1250 0.803,1251 1.093,1252 1.068,1253 0.129,1254 1.076,1255 0.78,1256 0.782,1257 0.872,1258 0.951,1260 0.93,1261 4.043,1263 5.361,1264 2.398,1265 6.87,1266 4.595,1267 8.469,1268 6.605,1269 10.114,1272 6.246,1273 13.275,1277 0.139,1278 6.055,1279 10.796,1289 26.36,1290 70.243,1291 135.098,1292 167.098,1293 190.75,1294 190.75,1295 190.75,1296 34.735,1297 7.433,1298 68.3,1299 68.3,1300 23,1301 12.41,1302 4.248,1303 3.322,1304 35.968,1305 92,1306 83,1307 0.19,1308 162.621,1309 279.62,1310 388.555,1311 18037,1312 5.4,1313 17.225,1314 0.689,1315 0.542,1316 16.855,1317 13.549,1318 12.187,1319 0.435,1320 0.278,1321 7.27,1322 11.278,1323 7.152,1324 5.884,1325 12.082,1326 7.775,1327 11.081,1328 0.284,1329 0.143,1330 10.818,1331 5.589,1332 9.2,1333 0.18,1334 0.074,1335 9.238,1336 3.793,1337 7.968,1338 0.117,1339 0.038,1340 7.892,1341 2.573,1342 6.209,1343 0.076,1344 0.02,1345 6.402,1346 1.667,1347 0.298,1348 80.657,1349 0.228,1350 24.278,1351 0.519,1352 134,1353 507.742,1354 168.761,1355 487.246,1356 652.12,1357 456,1358 157,1359 457.894,1360 187.745,1361 463.256,1362 681.05,1363 435,1364 5.939}
{0 CHEMBL256725,1 1.803,2 11.267,3 4.595,4 21.113,5 109.916,6 8.793,7 0.545,8 4.043,9 4.131,10 3.743,11 3.488,12 5.244,13 3.532,14 4.548,15 4.68,16 4.103,17 3.825,18 5.736,19 3.866,20 4.608,21 4.728,22 4.215,23 3.941,24 5.819,25 3.962,26 4.721,27 4.859,28 4.218,29 3.982,30 5.913,31 3.977,32 4.835,33 5.013,34 4.147,35 3.994,36 5.951,37 3.967,38 4.767,39 4.96,40 4.003,41 3.95,42 5.866,43 3.888,44 4.741,45 4.99,46 3.931,47 3.814,48 5.772,49 3.753,50 4.546,51 4.778,52 3.735,53 3.638,54 5.599,55 3.601,56 0.203,57 0.704,58 7.65,59 4.145,60 8.883,61 4.446,62 0.77,63 1.042,64 18.443,65 6.742,66 38.478,67 7.053,68 0.693,69 1.162,70 18.244,71 6.866,72 31.174,73 7.702,74 0.818,75 1.244,76 22.845,77 8.341,78 38.6,79 9.531,80 1.07,81 1.313,82 28.23,83 8.731,84 58.927,85 9.989,86 0.857,87 1.26,88 27.708,89 8.87,90 49.353,91 11.156,92 0.819,93 1.193,94 29.913,95 8.473,96 51.188,97 12.116,98 0.734,99 1.002,100 22.993,101 6.397,102 44.578,103 8.598,104 26,105 46,106 0.304,107 0.599,108 0.732,109 0.798,110 0.807,111 0.836,112 3.44,113 0.841,114 -2.85,115 -2.86,116 -2.76,118 40.8,123 3,125 1,138 5,140 8,141 1,143 1,146 1,167 1,170 2,171 5,173 3,175 3,178 2,181 2,182 4,184 1,186 2,188 1,191 1,192 8,195 4,196 1,197 2,203 1,204 4,206 1,211 2,214 5,215 2,220 2,223 3,227 3,228 2,231 1,233 2,239 1,240 3,243 3,245 1,252 3,255 1,260 4,264 1418,265 20.712,266 20.712,267 20.712,268 20.712,269 20.712,270 18.46,271 33.891,272 12.046,273 21.715,274 16.113,275 16.113,276 16.113,277 16.113,278 16.113,279 12.499,280 55.98,281 5.437,282 17.532,283 3.811,284 2.064,285 1.274,286 0.883,287 0.827,288 0.658,289 4.137,290 1,293 1,294 1,295 730,296 3.162,299 68.001,300 280.372,303 126.132,307 1.782,308 31.523,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 67.333,320 338,321 4.489,322 3.486,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.424,331 3.375,332 6.524,333 4.01,334 3.067,335 4.108,336 0.86,337 10.263,338 2.885,339 4.069,340 2.944,341 5.716,342 3.62,343 2.7,344 3.665,345 0.86,346 8.009,347 2.483,348 3.651,349 2.828,350 5.59,351 3.293,352 2.375,353 2.967,354 0.86,355 7.331,356 2.181,357 3.551,358 2.555,359 5.274,360 3.139,361 2.218,362 2.879,363 0.532,364 6.652,365 2,366 3.355,367 2.497,368 5.19,369 2.972,370 2.061,371 2.604,372 0.4,373 6.118,374 1.867,375 3.24,376 2.152,377 4.842,378 2.797,379 1.875,380 2.497,381 0.4,382 5.466,383 1.707,384 3.038,385 2.016,386 4.613,387 2.605,388 1.661,389 2.238,391 4.635,392 1.552,393 2.668,394 1.881,395 3.782,396 2.151,397 1.217,398 1.745,400 2.703,401 1.129,402 2.236,403 1.799,404 3.617,405 2.097,406 1.133,407 1.218,409 2.517,410 1.075,411 2.196,412 1.298,413 3.482,414 1.959,415 1.123,416 1.182,417 2.361,418 0.931,419 1.788,420 1.116,421 3.417,422 1.555,423 0.659,424 0.721,425 1.779,426 0.584,427 1.576,428 1.012,429 2.958,430 1.27,431 0.396,432 0.452,433 0.652,434 0.342,435 1.522,436 0.916,437 2.875,438 1.192,439 0.349,440 0.373,441 0.603,442 0.292,443 1.445,444 0.775,445 2.859,446 1.14,447 0.273,448 0.328,449 0.479,450 0.212,451 13.981,452 0.466,453 0.636,454 0.021,455 42.75,456 1.425,457 21.5,458 0.717,459 21.25,460 0.708,461 22.515,462 0.75,463 32.819,464 0.67,465 33.203,466 1.107,467 8.895,468 0.296,469 5.727,470 0.191,471 0.158,473 0.358,478 0.947,479 1.48,480 0.594,481 1.151,482 0.854,483 0.917,484 1.322,485 0.831,486 0.717,487 0.65,488 1.093,489 0.626,490 0.942,491 1.29,492 0.906,493 1.054,494 0.923,495 0.96,496 0.905,497 1.251,498 1.035,499 1.22,500 0.889,501 1.144,502 1.26,503 0.991,504 1.027,505 0.874,506 1.209,507 0.979,508 0.879,509 1.123,510 1.14,511 1.088,512 0.991,513 1.139,514 0.569,515 0.961,516 0.704,517 0.877,518 0.609,519 0.848,520 0.86,521 0.836,522 0.835,523 0.742,524 0.971,525 0.809,526 6,527 0.184,528 3.111,529 2.375,530 1.951,531 0.938,532 0.516,533 0.368,534 0.283,535 0.172,536 11954,537 39539,538 2.087,539 38.8,541 14,542 2,543 1,544 2,549 1.728,550 1.957,551 3.45,552 0.309,558 88.362,559 1.803,560 3.55,561 4.341,562 4.731,563 4.788,564 4.956,565 2.856,566 4.415,567 4.884,568 3.66,569 1592.05,570 8.514,571 22382.1,573 1,576 275.121,577 1.4,578 4.839,579 0.182,580 0.007,581 0.068,582 0.048,583 0.042,584 0.022,585 0.014,586 0.011,587 0.009,588 0.007,589 0.409,590 0.33,591 1,592 0.883,593 154.511,594 -0.119,595 -0.303,596 0.035,597 -0.18,598 -0.129,599 -0.046,600 -0.148,601 0.221,602 0.087,603 0.292,604 -0.07,605 0.255,606 0.008,607 -0.154,608 -0.038,609 -0.097,610 -0.017,611 -0.084,612 0.068,613 -0.182,614 -0.092,615 -0.243,616 0.052,617 -0.228,618 -0.195,619 0.02,620 -0.094,621 0.065,622 -0.176,623 -0.049,624 -0.016,625 -0.11,626 -0.148,627 -0.115,628 -0.064,629 -0.158,630 0.186,631 0.001,632 0.258,633 0.07,634 0.265,635 0.2,636 0.007,637 0.182,638 0.071,639 0.162,640 -0.01,641 0.169,642 1.359,643 2.215,644 0.7,645 27.484,646 1.029,647 1.129,648 1.616,649 2.612,650 0.678,651 3.526,652 3.85,653 4.159,654 4.443,655 4.625,656 4.673,657 4.762,658 4.868,659 4.89,660 4.97,661 6.98,662 0.667,663 430.88,664 3.526,665 5.069,666 5.932,667 6.819,668 7.696,669 8.585,670 9.466,671 10.356,672 11.237,673 12.128,674 8.2,682 2,684 2,690 6,691 2,695 10,697 18,709 2,714 5,715 1,716 49,718 18,719 2,720 33,722 52,723 20,724 16,725 8,726 4,728 4,729 5,730 1,740 16,741 4,757 1,760 19,761 9,762 2,763 10,764 1,769 4,775 0.75,776 5,788 1,793 1,794 3,797 1,819 3,823 3,824 1,827 30,833 1,834 2,835 5,849 1,850 10.2,855 5,858 15.333,859 9.876,860 6.806,861 2.495,863 3.512,864 1.448,865 0.972,866 6.335,867 11.351,868 3.761,869 4.376,870 4.965,871 5.53,872 6.038,873 6.228,874 6.511,875 6.893,876 7.209,877 7.565,878 1,879 49,880 10.979,881 4.56,882 7.793,883 20.512,884 16.003,885 2.293,886 68.778,889 1,890 200.109,891 135.186,892 69.593,893 39.149,894 54.999,897 135.186,898 294.257,899 69.593,900 32.649,901 6.65,902 47.381,903 45.342,904 135.3,905 27.769,906 164.795,907 39.149,908 200.109,909 204.779,910 54.999,911 39.149,913 200.109,914 54.999,917 53.618,918 117.59,919 72.72,921 200.109,922 124.592,923 174.335,926 200.109,927 46.108,928 89.078,929 36.022,930 127.719,931 200.109,932 124.592,933 174.335,935 0.573,936 0.357,937 0.205,938 0.107,939 22,940 10,941 0.135,942 7,943 1,944 1.095,945 4.093,946 269.419,947 0.095,948 21,949 139.207,954 20.804,955 9.135,956 4.37,958 124.592,959 10.338,960 8.743,964 5.275,966 36.022,967 499.036,968 42,980 50.436,981 55.306,983 0.321,984 0.632,985 0.773,986 0.843,987 0.853,988 0.883,989 5.001,990 1.661,991 5.916,992 5.466,993 4.533,994 5.063,995 2.353,996 6.744,997 4.372,998 6.208,999 1.217,1000 7.484,1001 4.635,1002 4.111,1003 4.913,1005 7.67,1006 3.859,1007 7.525,1008 1.133,1009 9.149,1010 2.703,1011 6.142,1012 7.276,1013 2.488,1014 10.774,1015 5.848,1016 8.878,1017 1.123,1018 10.872,1019 2.517,1020 6.553,1021 7.919,1023 12.521,1024 6.16,1025 10.262,1026 0.659,1027 12.633,1028 2.361,1029 8.029,1030 9.765,1031 2.891,1032 15.14,1033 7.606,1034 11.667,1035 0.396,1036 14.419,1037 1.779,1038 8.823,1039 10.778,1041 17.235,1042 8.306,1043 13.088,1044 0.349,1045 16.224,1046 0.652,1047 10.083,1048 12.405,1049 3.432,1050 19.689,1051 9.53,1052 3.145,1053 0.273,1054 18.044,1055 0.603,1056 11.058,1057 13.607,1059 21.933,1060 10.419,1061 3.067,1062 10.781,1063 19.876,1064 0.479,1065 12.232,1066 15.13,1067 4.039,1068 24.328,1069 11.548,1070 2.7,1071 10.263,1072 21.717,1073 4.173,1074 13.291,1075 16.432,1077 26.637,1078 12.528,1079 2.375,1080 8.009,1081 23.566,1082 4.108,1083 14.433,1084 17.902,1085 4.676,1086 29.01,1087 13.618,1088 2.218,1089 7.331,1090 25.422,1091 3.665,1092 15.53,1093 19.257,1095 31.348,1096 14.641,1097 2.061,1098 6.652,1099 27.283,1100 2.967,1101 16.662,1102 20.701,1103 5.327,1104 33.714,1105 15.715,1106 1.875,1107 6.118,1108 29.149,1109 2.879,1110 17.777,1111 22.084,1113 36.065,1114 16.76,1115 11419,1116 20941,1117 22.076,1118 33.244,1119 48.314,1120 50.61,1121 51.208,1122 48.503,1123 48.507,1124 62.303,1125 10.606,1126 140.695,1127 44.345,1128 5.346,1129 5.486,1130 6.235,1131 5.163,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 14.671,1138 1.464,1139 1.534,1140 1.552,1141 1.47,1142 1.47,1143 1.888,1144 0.321,1145 4.263,1146 1.344,1147 4.004,1148 4.029,1149 4.057,1150 3.884,1151 5.094,1152 3.898,1153 3.929,1154 3.937,1155 3.918,1156 3.824,1157 5.004,1158 3.837,1159 3.775,1160 3.813,1161 3.748,1162 3.609,1163 4.933,1164 3.635,1165 3.311,1166 3.355,1167 3.495,1168 3.051,1169 4.709,1170 3.083,1171 3.303,1172 3.353,1173 3.167,1174 3.026,1175 4.58,1176 3.049,1177 3.28,1178 3.319,1179 3.144,1180 3.006,1181 4.466,1182 3.026,1183 3.201,1184 3.28,1185 2.982,1186 2.896,1187 4.272,1188 2.896,1189 3.043,1190 3.124,1191 2.934,1192 2.832,1193 4.113,1194 2.846,1195 0.136,1196 0.106,1197 0.203,1198 0.124,1199 0.095,1200 4.489,1201 0.126,1202 3.486,1203 0.042,1204 6.684,1205 0.327,1206 4.083,1207 0.089,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.888,1214 1.87,1215 1.956,1216 2.041,1217 1.07,1218 2.015,1219 1.853,1220 1.841,1221 1.908,1222 1.966,1223 1.054,1224 1.951,1225 1.691,1226 1.649,1227 1.781,1228 1.851,1229 0.776,1230 1.835,1231 1.227,1232 1.163,1233 1.59,1234 1.558,1235 0.584,1236 1.565,1237 1.216,1238 1.154,1239 1.572,1240 1.529,1241 0.578,1242 1.537,1243 1.166,1244 1.127,1245 1.544,1246 1.517,1247 0.575,1248 1.503,1249 1.156,1250 1.071,1251 1.435,1252 1.477,1253 0.562,1254 1.482,1255 0.937,1256 0.855,1257 1.146,1258 1.221,1259 0.194,1260 1.211,1261 4.205,1263 5.525,1264 2.398,1265 7.05,1266 4.595,1267 8.672,1268 6.605,1269 10.343,1271 4.651,1272 6.326,1277 0.141,1278 6.296,1279 27.008,1289 32.702,1290 88.362,1291 173.973,1292 212.717,1293 231.837,1294 234.591,1295 242.856,1296 42.52,1297 7.839,1298 95.99,1299 95.99,1300 23,1301 12.658,1302 4.248,1303 3.322,1304 47.098,1305 128,1306 108,1307 0.18,1308 202.188,1309 351.82,1310 485.1,1311 29728,1312 2,1313 21.087,1314 0.703,1315 0.575,1316 21.587,1317 17.241,1318 14.622,1319 0.443,1320 0.28,1321 8.651,1322 13.377,1323 8.38,1324 6.984,1325 14.911,1326 9.256,1327 12.69,1328 0.276,1329 0.141,1330 13.06,1331 6.493,1332 11.158,1333 0.177,1334 0.074,1335 11.517,1336 4.633,1337 9.679,1338 0.115,1339 0.038,1340 9.954,1341 3.16,1342 7.621,1343 0.075,1344 0.021,1345 7.951,1346 2.075,1347 0.284,1348 97.749,1349 0.213,1350 28.29,1351 0.487,1352 158,1353 580.837,1354 197.566,1355 564.011,1356 763.14,1357 532,1358 188,1359 538.197,1360 225.358,1361 550.569,1362 808.66,1363 511,1364 6.62}
{0 CHEMBL257553,1 2.002,2 10.607,3 3.472,4 12.057,5 103.868,6 9.997,7 0.581,8 3.909,9 3.988,10 3.845,11 3.465,12 5.108,13 3.473,14 4.403,15 4.499,16 4.148,17 3.823,18 5.924,19 3.829,20 4.564,21 4.706,22 4.152,23 3.901,24 5.863,25 3.878,26 4.58,27 4.736,28 4.106,29 3.83,30 5.867,31 3.806,32 4.538,33 4.723,34 4.057,35 3.776,36 5.844,37 3.746,38 4.444,39 4.621,40 3.93,41 3.713,42 5.667,43 3.679,44 4.367,45 4.542,46 3.914,47 3.617,48 5.759,49 3.584,50 4.257,51 4.444,52 3.684,53 3.501,54 5.457,55 3.447,56 0.225,57 0.683,58 6.545,59 3.682,60 26.182,61 3.04,62 0.671,63 1.021,64 12.09,65 6.255,66 73.667,67 5.65,68 0.661,69 1.155,70 17.687,71 7.323,72 52.523,73 6.848,74 0.792,75 1.132,76 20.338,77 7.368,78 65.642,79 7.09,80 0.793,81 1.085,82 20.726,83 6.946,84 60.621,85 7.151,86 0.648,87 0.983,88 19.991,89 6.416,90 64.596,91 6.848,92 0.679,93 0.928,94 14.986,95 5.603,96 53.282,97 6.181,98 0.512,99 0.825,100 15.682,101 5.629,102 36.908,103 6.105,104 18,105 45,106 0.345,107 0.659,108 0.807,109 0.904,110 0.904,111 0.904,112 3.375,113 0.959,114 -2.83,115 -2.84,116 -2.75,118 40.5,125 1,138 7,140 6,141 1,143 1,146 1,158 1,159 1,160 1,167 3,170 3,171 3,172 2,173 5,175 3,178 4,182 6,184 1,186 5,188 2,190 2,192 8,195 2,196 1,197 4,201 1,203 1,204 8,206 2,207 1,208 1,210 1,211 2,213 1,214 1,215 4,220 2,223 3,227 5,228 2,230 2,231 3,233 3,235 1,239 1,240 1,243 1,245 2,247 1,252 4,255 2,256 1,257 1,259 1,260 4,262 1,264 1146,265 18.574,266 18.574,267 18.574,268 18.574,269 18.574,270 16.021,271 26.651,272 10.782,273 19.223,274 15.34,275 15.34,276 15.34,277 15.34,278 15.34,279 11.43,280 43.518,281 5.143,282 16.489,283 3.39,284 1.563,285 0.706,286 0.143,287 0.143,288 0.143,289 4.069,290 1,293 1,294 1,295 646,296 3.464,299 61.573,300 255.026,303 114.249,307 1.735,308 39.224,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 62.833,320 297,321 4.805,322 4.662,323 7.116,324 4.236,325 3.32,326 4.665,327 1.392,328 11.69,329 3.009,330 4.489,331 3.486,332 6.684,333 4.082,334 3.145,335 4.173,336 0.532,337 10.781,338 2.93,339 4.1,340 2.949,341 5.724,342 3.66,343 2.734,344 3.694,345 0.4,346 8.064,347 2.536,348 3.844,349 2.856,350 5.605,351 3.405,352 2.451,353 3.391,354 0.4,355 7.4,356 2.339,357 3.617,358 2.549,359 5.325,360 3.201,361 2.291,362 2.943,364 6.819,365 2.046,366 3.325,367 2.179,368 4.891,369 2.886,370 1.96,371 2.594,373 5.642,374 1.793,375 3.059,376 2.005,377 4.617,378 2.623,379 1.677,380 2.264,382 4.649,383 1.566,384 2.966,385 1.811,386 4.459,387 2.477,388 1.504,389 2.142,391 4.304,392 1.458,393 2.666,394 1.596,395 3.622,396 2.146,397 1.2,398 1.741,400 2.685,401 1.128,402 2.609,403 1.293,404 3.497,405 2.105,406 1.126,407 1.652,409 2.536,410 1.099,411 2.236,412 1.169,413 3.476,414 2.094,415 1.109,416 1.218,417 2.509,418 1.074,419 1.788,420 1.113,421 3.417,422 1.555,423 0.659,424 0.721,425 1.779,426 0.584,427 1.522,428 0.775,429 2.961,430 1.141,431 0.274,432 0.329,433 0.651,434 0.212,435 1.293,436 0.165,437 2.883,438 0.94,443 1,444 0.124,445 2.709,446 0.462,447 -0.424,448 -0.52,449 -1.087,450 -0.337,451 13.381,452 0.478,453 0.86,454 0.031,455 42.25,456 1.509,457 23,458 0.821,459 19.25,460 0.688,461 19.108,462 0.682,463 29.819,464 0.71,465 31.673,466 1.131,467 8.246,468 0.294,469 5.152,470 0.184,471 0.133,472 0.062,473 0.299,478 0.788,479 1.315,480 0.672,481 1.114,482 0.812,483 0.779,484 0.819,485 0.987,486 0.805,487 0.925,488 0.527,489 0.861,490 1.051,491 1.229,492 1.017,493 1.053,494 1.001,495 1.045,496 1.097,497 1.141,498 1.056,499 1.041,500 1.084,501 1.083,502 0.868,503 0.916,504 0.911,505 0.84,506 0.787,507 0.892,508 1.035,509 1.091,510 1.03,511 0.919,512 1.042,513 0.962,514 0.639,515 0.864,516 0.824,517 0.853,518 0.517,519 0.995,520 0.844,521 1.083,522 0.922,523 1.023,524 0.749,525 1.049,526 7,527 0.139,528 3.111,529 2,530 1.587,531 0.771,532 0.557,533 0.352,534 0.296,535 0.171,536 10168,537 38401,538 2.085,539 33.3,541 7,542 2,543 1,544 4,549 1.709,550 1.942,551 3.384,552 1.804,554 1,558 84.078,559 2.002,560 3.829,561 4.686,562 5.249,563 5.249,564 5.249,565 2.717,566 4.084,567 4.785,568 3.603,569 1362.11,570 8.307,571 18251.2,573 1,575 1,576 226.477,577 1.572,578 4.728,579 0.226,580 0.007,581 0.069,582 0.047,583 0.041,584 0.021,585 0.016,586 0.011,587 0.011,588 0.007,589 0.456,590 0.17,591 0.88,592 0.744,593 141.117,594 -0.083,595 -0.135,596 0.107,597 -0.082,598 -0.242,599 0.05,600 0.147,601 0.092,602 -0.054,603 0.01,604 0.313,605 -0.029,606 -0.177,607 -0.193,608 -0.134,609 -0.121,610 -0.116,611 -0.132,612 -0.13,613 -0.153,614 -0.113,615 -0.13,616 -0.152,617 -0.147,618 0.02,619 0.098,620 0.027,621 0.065,622 0.027,623 0.075,624 -0.155,625 -0.13,626 -0.053,627 -0.013,628 -0.187,629 0.028,630 0.237,631 0.167,632 0.034,633 0.009,634 0.201,635 -0.063,636 -0.015,637 -0.102,638 -0.009,639 -0.063,640 -0.006,641 -0.03,642 4.727,643 4.494,644 0.75,645 24.214,646 1.039,647 1.125,648 1.599,649 2.556,650 0.718,651 3.466,652 3.829,653 4.06,654 4.317,655 4.522,656 4.554,657 4.673,658 4.745,659 4.796,660 4.86,661 6.726,662 0.705,663 419.88,664 3.466,665 5.03,666 5.878,667 6.77,668 7.634,669 8.524,670 9.395,671 10.283,672 11.157,673 12.045,674 11.9,678 1,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 1,716 42,718 20,719 2,720 31,722 45,723 17,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 1,744 2,747 1,749 2,757 1,760 14,761 9,762 4,763 11,764 2,769 5,775 0.75,776 4,788 1,793 1,794 3,797 1,819 3,821 1,824 1,827 28,828 1,831 1,833 1,834 2,835 2,849 1,850 9.5,853 2,855 2,858 14.417,859 7.376,860 5.917,861 2.12,863 3.671,864 1.477,865 1.027,866 5.097,867 11.362,868 3.761,869 4.425,870 4.922,871 5.469,872 5.998,873 6.155,874 6.509,875 6.813,876 7.17,877 7.512,878 0.857,879 43,880 10.508,881 4.795,882 8.066,883 18.952,884 15.547,885 2.566,886 71.861,889 1,890 117.711,891 113.118,892 100.884,893 39.149,894 66.313,896 5.807,897 107.31,898 223.172,899 100.884,901 6.65,902 103.433,903 89.655,904 88.12,905 27.769,906 82.398,907 39.149,908 117.711,909 208.194,910 66.313,911 44.956,913 117.711,914 66.313,917 53.618,918 121.005,919 78.527,921 117.711,922 167.197,923 152.266,925 5.807,926 117.711,927 31.929,928 75.381,929 36.022,930 170.324,931 117.711,932 167.197,933 152.266,935 0.595,936 0.335,937 0.177,938 0.096,939 23,940 10,941 0.111,942 5,943 1,944 1.095,945 3.958,946 244.869,947 0.095,948 21,949 132.606,953 1,954 18.925,955 7.541,956 4.216,958 167.197,959 12.633,960 8.484,964 3.203,966 67.313,967 437.174,968 42,971 -3.811,973 22.988,980 43.636,981 47.269,983 0.371,984 0.71,985 0.869,986 0.974,987 0.974,988 0.974,989 5.014,990 1.504,991 5.905,992 4.649,993 4.511,994 5.112,995 1.805,996 6.751,997 4.366,998 6.267,999 1.2,1000 7.493,1001 4.304,1002 4.29,1003 5.198,1005 7.888,1006 4.022,1007 7.622,1008 1.126,1009 9.19,1010 2.685,1011 6.188,1012 7.431,1013 2.17,1014 10.903,1015 5.887,1016 9.018,1017 1.109,1018 10.954,1019 2.536,1020 6.758,1021 8.299,1023 12.845,1024 6.319,1025 10.446,1026 0.659,1027 12.763,1028 2.509,1029 8.184,1030 10.077,1031 2.746,1032 15.45,1033 7.71,1034 11.898,1035 0.274,1036 14.602,1037 1.779,1038 9.094,1039 11.288,1041 17.696,1042 8.49,1043 13.369,1045 16.464,1046 0.651,1047 10.351,1048 12.901,1049 3.372,1050 20.181,1051 9.695,1052 3.32,1053 -0.424,1054 18.343,1056 11.411,1057 14.27,1059 22.544,1060 10.636,1061 3.145,1062 11.69,1063 20.236,1064 -1.087,1065 12.608,1066 15.82,1067 4.015,1068 24.994,1069 11.765,1070 2.734,1071 10.781,1072 22.139,1073 4.665,1074 13.733,1075 17.266,1077 27.402,1078 12.781,1079 2.451,1080 8.064,1081 24.051,1082 4.173,1083 14.913,1084 18.793,1085 4.667,1086 29.842,1087 13.882,1088 2.291,1089 7.4,1090 25.97,1091 3.694,1092 16.067,1093 20.278,1095 32.269,1096 14.934,1097 1.96,1098 6.819,1099 27.895,1100 3.391,1101 17.243,1102 21.799,1103 5.323,1104 34.709,1105 16.023,1106 1.677,1107 5.642,1108 29.824,1109 2.943,1110 18.411,1111 23.304,1113 37.144,1114 17.093,1115 9645,1116 18909,1117 20.572,1118 30.159,1119 46.826,1120 48.874,1121 47.302,1122 46.996,1123 46.9,1124 63.056,1125 5.446,1126 139.016,1127 43.549,1128 5.662,1129 6.662,1130 6.67,1131 5.317,1132 5.32,1133 7.665,1134 2.783,1135 18.846,1136 5.009,1137 13.921,1138 1.511,1139 1.577,1140 1.526,1141 1.516,1142 1.513,1143 2.034,1144 0.176,1145 4.484,1146 1.405,1147 4.072,1148 4.067,1149 4.728,1150 4.052,1151 7.726,1152 3.97,1153 3.974,1154 3.98,1155 4.054,1156 3.869,1157 6.999,1158 3.877,1159 3.806,1160 3.841,1161 3.823,1162 3.643,1163 5.087,1164 3.654,1165 3.615,1166 3.614,1167 3.656,1168 3.52,1169 4.983,1170 3.457,1171 3.305,1172 3.325,1173 3.495,1174 3.05,1175 4.828,1176 3.081,1177 3.099,1178 3.176,1179 3.017,1180 2.893,1181 4.71,1182 2.911,1183 2.979,1184 3.055,1185 2.922,1186 2.802,1187 4.664,1188 2.808,1189 2.72,1190 2.805,1191 2.849,1192 2.562,1193 4.135,1194 2.554,1195 0.155,1196 0.15,1197 0.23,1198 0.137,1199 0.107,1200 4.805,1201 0.15,1202 4.662,1203 0.045,1204 7.116,1205 0.377,1206 4.236,1207 0.097,1208 3.32,1209 4.665,1210 1.392,1211 11.69,1212 3.009,1213 1.959,1214 1.962,1215 1.99,1216 2.054,1217 1.152,1218 2.071,1219 1.864,1220 1.848,1221 1.912,1222 1.977,1223 1.056,1224 1.972,1225 1.702,1226 1.663,1227 1.783,1228 1.857,1229 0.78,1230 1.849,1231 1.448,1232 1.473,1233 1.435,1234 1.636,1235 0.578,1236 1.672,1237 1.165,1238 1.132,1239 1.285,1240 1.521,1241 0.52,1242 1.486,1243 1.019,1244 0.95,1245 1.229,1246 1.277,1247 0.265,1248 1.269,1249 0.889,1250 0.813,1251 1.128,1252 1.156,1253 0.178,1254 1.157,1255 0.78,1256 0.782,1257 1.026,1258 0.964,1260 0.995,1261 4.143,1263 5.493,1264 2.398,1265 7.026,1266 4.595,1267 8.641,1268 6.605,1269 10.299,1272 6.262,1275 5.156,1277 0.112,1278 6.029,1279 10.805,1289 29.615,1290 84.078,1291 160.826,1292 196.826,1293 220.477,1294 220.477,1295 220.477,1296 47.72,1297 7.691,1298 128.46,1299 136.84,1300 23,1301 12.578,1302 4.392,1303 3.585,1304 42.525,1305 116,1306 88,1307 0.181,1308 187.34,1309 320.64,1310 448.87,1311 25168,1312 2.4,1313 19.725,1314 0.704,1315 0.564,1316 20.475,1317 15.789,1318 13.398,1319 0.432,1320 0.32,1321 7.979,1322 11.702,1323 7.703,1324 6.349,1325 14.581,1326 9.905,1327 13.039,1328 0.29,1329 0.171,1330 14.797,1331 7.713,1332 10.163,1333 0.178,1334 0.088,1335 11.265,1336 5.042,1337 8.486,1338 0.115,1339 0.045,1340 9.289,1341 3.317,1342 6.849,1343 0.075,1344 0.024,1345 7.665,1346 2.208,1347 0.286,1348 97.252,1349 0.22,1350 26.756,1351 0.489,1352 152,1353 545.274,1354 221.471,1355 569.013,1356 758.8,1357 524,1358 178,1359 511.888,1360 249.779,1361 559.158,1362 814.88,1363 521,1364 6.764}
{0 CHEMBL257576,1 1.786,2 11.077,3 4.628,4 21.416,5 96.989,6 9.044,7 0.621,8 3.87,9 3.962,10 3.599,11 3.381,12 5.064,13 3.41,14 4.357,15 4.481,16 3.966,17 3.728,18 5.572,19 3.747,20 4.469,21 4.624,22 4.001,23 3.801,24 5.626,25 3.79,26 4.491,27 4.659,28 3.92,29 3.76,30 5.625,31 3.721,32 4.48,33 4.694,34 3.891,35 3.718,36 5.59,37 3.665,38 4.357,39 4.553,40 3.758,41 3.635,42 5.458,43 3.593,44 4.254,45 4.425,46 3.69,47 3.516,48 5.44,49 3.484,50 4.201,51 4.419,52 3.435,53 3.387,54 5.223,55 3.324,56 0.135,57 0.609,58 5.772,59 3.319,60 7.139,61 3.491,62 0.511,63 0.93,64 12.814,65 5.594,66 26.412,67 5.764,68 0.449,69 1.037,70 16.326,71 6.053,72 25.72,73 6.776,74 0.565,75 1.025,76 19.284,77 6.628,78 32.197,79 7.469,80 0.579,81 1.004,82 20.361,83 6.501,84 37.607,85 8.198,86 0.424,87 0.881,88 19.505,89 6.102,90 29.768,91 7.468,92 0.502,93 0.81,94 14.232,95 4.737,96 29.484,97 5.625,98 0.389,99 0.74,100 15.518,101 5.263,102 24.475,103 6.753,104 6,105 40,106 0.312,107 0.625,108 0.777,109 0.861,110 0.873,111 0.873,112 3.304,113 0.848,114 -3.88,115 -3.84,116 -3.64,118 43.9,123 1,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 2,171 5,173 3,175 3,178 3,182 4,184 1,186 4,188 3,192 6,195 2,196 1,197 2,203 1,204 8,206 1,211 2,214 1,215 2,220 2,223 3,227 3,228 2,231 1,233 4,235 2,239 1,240 1,243 1,245 1,252 3,255 1,260 4,264 1002,265 17.972,266 17.972,267 17.972,268 17.972,269 17.972,270 15.72,271 28.053,272 10.606,273 18.644,274 14.276,275 14.276,276 14.276,277 14.276,278 14.276,279 10.862,280 45.893,281 4.984,282 15.359,283 3.571,284 1.775,285 0.906,286 0.427,287 0.36,288 0.36,289 4.005,290 1,293 1,294 1,295 634,296 2.646,299 56.558,300 234.717,303 105.118,307 1.852,308 23.375,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 57.333,320 288,321 4.489,322 3.486,323 6.684,324 4.082,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.127,331 2.96,332 5.727,333 3.702,334 2.765,335 3.728,336 0.86,337 8.073,338 2.602,339 3.973,340 2.909,341 5.613,342 3.521,343 2.576,344 3.571,345 0.532,346 7.445,347 2.422,348 3.632,349 2.774,350 5.409,351 3.252,352 2.345,353 2.951,354 0.4,355 7.018,356 2.116,357 3.499,358 2.493,359 5.156,360 3.104,361 2.183,362 2.798,363 0.4,364 6.378,365 1.978,366 3.234,367 2.142,368 4.804,369 2.794,370 1.873,371 2.487,373 5.386,374 1.704,375 3.038,376 1.972,377 4.612,378 2.605,379 1.661,380 2.238,382 4.633,383 1.552,384 2.667,385 1.806,386 3.622,387 2.149,388 1.208,389 1.744,391 2.684,392 1.128,393 2.5,394 1.311,395 3.485,396 2.097,397 1.126,398 1.5,400 2.514,401 1.075,402 2.236,403 1.127,404 3.417,405 2,406 1,407 1.218,409 2.275,410 1,411 1.789,412 1.099,413 3.414,414 1.555,415 0.66,416 0.721,417 1.78,418 0.585,419 1.748,420 1,421 3.012,422 1.459,423 0.588,424 0.658,425 1.006,426 0.507,427 1.522,428 0.775,429 2.923,430 1.14,431 0.274,432 0.328,433 0.65,434 0.212,435 1.239,436 0.266,437 2.594,438 0.915,443 0.891,444 -0.048,445 2.526,446 0.467,447 -0.42,448 -0.516,449 -1.03,450 -0.335,451 12.314,452 0.474,453 0.533,454 0.021,455 38.75,456 1.49,457 20.5,458 0.788,459 18.25,460 0.702,461 16.947,462 0.652,463 27.286,464 0.666,465 26.909,466 1.035,467 7.895,468 0.304,469 4.829,470 0.186,471 0.099,473 0.325,478 0.924,479 1.355,480 0.569,481 1.007,482 0.846,483 0.833,484 1.146,485 0.944,486 0.717,487 0.794,488 0.944,489 0.783,490 1.033,491 1.252,492 0.964,493 1.04,494 0.992,495 0.997,496 1.02,497 1.15,498 1.147,499 1.131,500 1.088,501 1.129,502 0.714,503 0.943,504 0.832,505 0.843,506 0.794,507 0.876,508 0.934,509 1.082,510 1.109,511 0.97,512 1.048,513 0.904,514 0.808,515 1.046,516 1.024,517 1.076,518 0.895,519 1.115,520 0.778,521 1.054,522 0.847,523 0.979,524 0.812,525 0.988,526 5,527 0.085,528 2.444,529 1.375,530 1.409,531 0.535,532 0.434,533 0.26,534 0.217,535 0.141,536 8630,537 27399,538 2.148,539 36.6,541 10,542 2,543 1,544 2,549 1.688,550 2.053,551 3.411,552 0.327,558 73.243,559 1.786,560 3.583,561 4.451,562 4.93,563 4.998,564 4.998,565 2.907,566 4.239,567 4.673,568 3.602,569 1170.77,570 8.083,571 14767.4,573 1,576 219.66,577 1.239,578 4.65,579 0.172,580 0.004,581 0.061,582 0.035,583 0.041,584 0.017,585 0.014,586 0.01,587 0.01,588 0.007,589 0.372,590 0.33,591 1,592 0.646,593 128.092,594 -0.116,595 -0.228,596 0.024,597 -0.109,598 -0.151,599 -0.014,600 -0.026,601 0.117,602 0.023,603 0.119,604 0.003,605 0.064,606 -0.118,607 -0.178,608 -0.069,609 -0.117,610 -0.088,611 -0.109,612 -0.049,613 -0.126,614 -0.139,615 -0.179,616 -0.116,617 -0.202,618 0.111,619 0.073,620 0.163,621 0.113,622 0.153,623 0.12,624 -0.07,625 -0.094,626 -0.009,627 0.021,628 -0.044,629 0.096,630 0.136,631 0.026,632 -0.115,633 -0.163,634 0.049,635 -0.217,636 0.068,637 -0.096,638 0.069,639 -0.011,640 0.076,641 0.042,642 1.335,643 2.176,644 0.808,645 22.426,646 1.025,647 1.123,648 2.653,649 7.038,650 0.703,651 3.401,652 3.714,653 3.989,654 4.248,655 4.454,656 4.489,657 4.575,658 4.691,659 4.71,660 4.771,661 6.538,662 0.688,663 370.82,664 3.401,665 4.934,666 5.784,667 6.655,668 7.519,669 8.395,670 9.264,671 10.142,672 11.014,673 11.894,674 9.8,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 3,715 1,716 41,718 18,719 2,720 29,722 44,723 18,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 2,757 1,760 15,761 7,762 2,763 8,764 1,769 4,775 0.75,776 3,788 1,793 1,794 3,797 1,819 3,823 1,824 1,827 26,833 1,834 2,835 3,849 1,850 7.3,855 3,858 12.667,859 7.71,860 5.75,861 2.176,863 3.433,864 1.456,865 1.005,866 4.903,867 10.959,868 3.664,869 4.27,870 4.83,871 5.379,872 5.91,873 6.042,874 6.333,875 6.744,876 7.059,877 7.387,878 1,879 39,880 9.51,881 3.994,882 7.748,883 17.894,884 14.219,885 2.248,886 58.444,889 1,890 153.024,891 121.886,892 69.593,893 39.149,894 33,897 121.886,898 225.173,899 69.593,900 10.883,901 6.65,902 66.334,903 45.342,904 102.813,905 27.769,906 117.711,907 39.149,908 153.024,909 191.478,910 33,911 39.149,913 153.024,914 33,917 53.618,918 104.289,919 72.72,921 153.024,922 102.592,923 161.034,926 153.024,927 35.622,928 86.264,929 36.022,930 105.719,931 153.024,932 102.592,933 161.034,935 0.576,936 0.341,937 0.185,938 0.099,939 20,940 8,941 0.114,942 5,943 1,944 1.095,945 3.9,946 218.446,947 0.095,948 21,949 118.211,954 17.058,955 7.473,956 3.763,958 102.592,959 14.383,960 8.684,964 4.972,966 36.022,967 416.651,968 38,980 42.014,981 46.057,983 0.333,984 0.669,985 0.831,986 0.92,987 0.933,988 0.933,989 4.887,990 1.208,991 5.753,992 4.633,993 4.394,994 4.956,995 2.022,996 6.538,997 4.252,998 6.084,999 1.126,1000 7.291,1001 2.684,1002 3.892,1003 4.691,1005 7.368,1006 3.633,1007 7.383,1008 1,1009 8.926,1010 2.514,1011 5.964,1012 7.135,1013 2.288,1014 10.459,1015 5.689,1016 8.718,1017 0.66,1018 10.618,1019 2.275,1020 6.293,1021 7.664,1023 12.142,1024 5.897,1025 10.083,1026 0.588,1027 12.35,1028 1.78,1029 7.799,1030 9.573,1031 2.797,1032 14.748,1033 7.393,1034 11.468,1035 0.274,1036 14.108,1037 1.006,1038 8.525,1039 10.486,1041 16.811,1042 8.006,1043 12.869,1045 15.889,1046 0.65,1047 9.798,1048 12.155,1049 3.392,1050 19.26,1051 9.255,1052 3.145,1053 -0.42,1054 17.686,1056 10.724,1057 13.279,1059 21.498,1060 10.08,1061 2.765,1062 10.781,1063 19.498,1064 -1.03,1065 11.899,1066 14.824,1067 4.023,1068 23.895,1069 11.217,1070 2.576,1071 8.073,1072 21.322,1073 4.173,1074 12.926,1075 16.069,1077 26.21,1078 12.154,1079 2.345,1080 7.445,1081 23.157,1082 3.728,1083 14.065,1084 17.548,1085 4.67,1086 28.592,1087 13.241,1088 2.183,1089 7.018,1090 25.002,1091 3.571,1092 15.142,1093 18.864,1095 30.941,1096 14.236,1097 1.873,1098 6.378,1099 26.854,1100 2.951,1101 16.27,1102 20.31,1103 5.325,1104 33.318,1105 15.304,1106 1.661,1107 5.386,1108 28.714,1109 2.798,1110 17.374,1111 21.667,1113 35.683,1114 16.33,1115 8113,1116 14623,1117 19.879,1118 28.813,1119 42.838,1120 44.25,1121 44.028,1122 42.896,1123 42.806,1124 56.233,1125 7.166,1126 121.243,1127 39.623,1128 5.346,1129 5.486,1130 6.239,1131 5.162,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 9.539,1138 1.477,1139 1.526,1140 1.518,1141 1.479,1142 1.476,1143 1.939,1144 0.247,1145 4.181,1146 1.366,1147 3.998,1148 4.026,1149 4.056,1150 3.882,1151 5.089,1152 3.894,1153 3.913,1154 3.933,1155 3.881,1156 3.822,1157 4.988,1158 3.826,1159 3.767,1160 3.808,1161 3.73,1162 3.608,1163 4.849,1164 3.632,1165 3.309,1166 3.345,1167 3.495,1168 3.051,1169 4.709,1170 3.082,1171 3.274,1172 3.319,1173 3.146,1174 3.008,1175 4.398,1176 3.03,1177 3.064,1178 3.148,1179 2.951,1180 2.841,1181 4.126,1182 2.857,1183 2.948,1184 3.031,1185 2.916,1186 2.751,1187 4.041,1188 2.75,1189 2.854,1190 2.925,1191 2.786,1192 2.735,1193 3.907,1194 2.715,1195 0.155,1196 0.12,1197 0.23,1198 0.141,1199 0.108,1200 4.489,1201 0.144,1202 3.486,1203 0.048,1204 6.684,1205 0.372,1206 4.082,1207 0.101,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.896,1214 1.868,1215 1.993,1216 2.037,1217 1.068,1218 2.02,1219 1.856,1220 1.84,1221 1.912,1222 1.958,1223 1.054,1224 1.953,1225 1.691,1226 1.648,1227 1.783,1228 1.846,1229 0.776,1230 1.834,1231 1.21,1232 1.146,1233 1.57,1234 1.529,1235 0.578,1236 1.536,1237 1.164,1238 1.127,1239 1.435,1240 1.515,1241 0.575,1242 1.485,1243 0.974,1244 0.892,1245 1.182,1246 1.253,1247 0.225,1248 1.244,1249 0.886,1250 0.821,1251 1.181,1252 1.143,1253 0.218,1254 1.146,1255 0.878,1256 0.801,1257 1.12,1258 1.062,1259 0.172,1260 1.107,1261 4.078,1263 5.389,1264 2.398,1265 6.897,1266 4.595,1267 8.494,1268 6.605,1269 10.137,1271 1.626,1272 6.287,1277 0.165,1278 6.311,1279 16.017,1289 28.218,1290 73.243,1291 146.889,1292 182.498,1293 202.15,1294 204.905,1295 204.905,1296 30.613,1297 7.526,1298 77.53,1299 77.53,1300 23,1301 12.432,1302 4.248,1303 3.322,1304 38.167,1305 102,1306 116,1307 0.181,1308 175.011,1309 299.64,1310 418.787,1311 20412,1312 2.4,1313 17.933,1314 0.69,1315 0.561,1316 18.433,1317 14.579,1318 12.725,1319 0.439,1320 0.283,1321 7.677,1322 11.777,1323 7.494,1324 6.209,1325 13.013,1326 8.198,1327 11.238,1328 0.281,1329 0.145,1330 11.609,1331 5.807,1332 9.699,1333 0.183,1334 0.077,1335 10.057,1336 4.058,1337 8.07,1338 0.117,1339 0.039,1340 8.345,1341 2.681,1342 6.461,1343 0.076,1344 0.021,1345 6.791,1346 1.76,1347 0.287,1348 84.134,1349 0.224,1350 25.269,1351 0.489,1352 138,1353 469.366,1354 171.809,1355 471.39,1356 641.1,1357 444,1358 162,1359 455.106,1360 192.493,1361 467.147,1362 685,1363 437,1364 5.712}
{0 CHEMBL257771,1 1.743,2 11.2,3 4.494,4 20.196,5 114.029,6 8.518,7 0.529,8 4.063,9 4.166,10 3.749,11 3.56,12 5.169,13 3.58,14 4.602,15 4.747,16 4.121,17 3.94,18 5.715,19 3.943,20 4.781,21 4.973,22 4.169,23 4.057,24 5.806,25 4.019,26 4.779,27 4.972,28 4.132,29 4.056,30 5.799,31 3.998,32 4.831,33 5.049,34 4.158,35 4.071,36 5.86,37 4.007,38 4.818,39 5.041,40 4.056,41 4.024,42 5.828,43 3.955,44 4.722,45 4.947,46 3.944,47 3.869,48 5.762,49 3.816,50 4.534,51 4.756,52 3.699,53 3.721,54 5.542,55 3.649,56 0.116,57 0.765,58 8.397,59 4.155,60 6.919,61 4.86,62 0.56,63 1.21,64 18.428,65 7.041,66 29.75,67 8.109,68 0.606,69 1.407,70 25.908,71 8.477,72 32.143,73 10.851,74 0.567,75 1.4,76 26.912,77 9.084,78 32.734,79 11.651,80 0.639,81 1.452,82 28.629,83 9.327,84 42.428,85 12.44,86 0.562,87 1.392,88 30.551,89 9.618,90 40.936,91 12.918,92 0.678,93 1.264,94 26.857,95 7.737,96 46.523,97 10.331,98 0.561,99 1.064,100 21.019,101 6.577,102 36.217,103 8.825,104 2,105 47,106 0.292,107 0.624,108 0.778,109 0.851,110 0.864,111 0.871,112 3.441,113 0.885,114 -3.8,115 -3.77,116 -3.58,118 42,124 4,125 1,138 7,140 6,141 1,143 1,146 1,167 4,170 2,171 4,173 3,175 2,178 3,181 1,182 4,184 2,186 4,188 2,192 5,195 2,196 1,197 3,203 3,204 9,211 2,214 1,215 6,218 1,220 1,223 2,227 1,228 4,231 2,233 4,235 2,239 3,240 1,243 1,245 2,247 1,252 1,260 2,264 1422,265 20.93,266 20.93,267 20.93,268 20.93,269 20.93,270 18.675,271 32.15,272 12.563,273 21.686,274 16.847,275 16.847,276 16.847,277 16.847,278 16.847,279 13.462,280 53.389,281 5.997,282 18.139,283 3.901,284 1.913,285 0.993,286 0.56,287 0.48,288 0.44,289 4.155,290 1,293 1,294 1,295 753,296 2.55,299 64.422,300 348.002,303 119.219,307 1.733,308 26.202,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 65.833,320 336,321 4.489,322 3.486,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.931,330 4.318,331 3.25,332 6.509,333 3.98,334 3.03,335 3.894,336 0.86,337 10.226,338 2.88,339 4.035,340 2.939,341 5.7,342 3.589,343 2.668,344 3.629,345 0.8,346 7.901,347 2.458,348 3.626,349 2.795,350 5.557,351 3.263,352 2.354,353 2.945,354 0.532,355 7.23,356 2.134,357 3.421,358 2.534,359 5.246,360 3.146,361 2.224,362 2.623,363 0.4,364 6.455,365 2.018,366 3.274,367 2.275,368 4.89,369 2.883,370 1.963,371 2.454,372 0.4,373 5.542,374 1.786,375 3.049,376 2.076,377 4.616,378 2.621,379 1.677,380 2.252,382 4.64,383 1.562,384 2.864,385 1.954,386 4.086,387 2.435,388 1.524,389 2.018,391 3.597,392 1.394,393 2.739,394 1.809,395 3.642,396 2.393,397 1.418,398 1.792,400 3.06,401 1.37,402 2.655,403 1.481,404 3.61,405 2.138,406 1.191,407 1.727,409 2.662,410 1.119,411 2.236,412 1.274,413 3.482,414 2.095,415 1.125,416 1.218,417 2.513,418 1.075,419 2.217,420 1.256,421 3.436,422 1.952,423 1,424 1.183,425 2.396,426 0.946,427 2,428 1.176,429 3.417,430 1.928,431 1,432 1,433 2.136,434 0.919,435 1.788,436 1.113,437 3.247,438 1.555,439 0.659,440 0.721,441 1.779,442 0.584,443 1.522,444 0.775,445 2.957,446 1.141,447 0.274,448 0.329,449 0.652,450 0.212,451 14.214,452 0.474,453 0.568,454 0.019,455 42,456 1.4,457 20.5,458 0.683,459 21.5,460 0.717,461 22.971,462 0.766,463 31.986,464 0.64,465 30.594,466 1.02,467 8.409,468 0.28,469 6.367,470 0.212,471 0.05,473 0.31,478 0.913,479 1.459,480 0.599,481 1.069,482 0.79,483 0.889,484 1.203,485 1.041,486 0.784,487 0.852,488 0.961,489 0.854,490 0.97,491 1.083,492 0.917,493 0.92,494 0.899,495 0.931,496 0.824,497 1.165,498 1.017,499 1.11,500 0.849,501 1.085,502 0.722,503 0.977,504 0.823,505 0.922,506 0.759,507 0.941,508 0.827,509 1.122,510 0.977,511 1.017,512 0.93,513 0.974,514 0.984,515 0.97,516 0.92,517 0.906,518 1.109,519 0.942,520 0.873,521 0.954,522 0.96,523 0.915,524 1.02,525 1.021,526 4.5,527 0.153,528 2.889,529 1.813,530 1.4,531 0.639,532 0.514,533 0.243,534 0.188,535 0.165,536 12883,537 36906,538 2.207,539 40,541 15,542 2,543 1,544 2,549 1.729,550 2.143,551 3.454,552 0.276,554 1,558 87.151,559 1.743,560 3.731,561 4.651,562 5.084,563 5.164,564 5.204,565 2.886,566 4.415,567 4.884,568 3.646,569 1585.99,570 8.517,571 22153.2,573 1,575 1,576 282.193,577 1.075,578 4.87,579 0.132,580 0.005,581 0.061,582 0.039,583 0.032,584 0.015,585 0.012,586 0.007,587 0.006,588 0.006,589 0.316,590 0.33,591 0.88,592 0.327,593 154.192,594 -0.093,595 -0.284,596 0.039,597 -0.125,598 -0.071,599 -0.021,600 -0.059,601 0.056,602 -0.015,603 0.069,604 -0.004,605 0.015,606 -0.048,607 -0.02,608 -0.01,609 0.02,610 -0.01,611 0.001,612 0.019,613 -0.124,614 -0.057,615 -0.14,616 0.025,617 -0.125,618 0.076,619 0.054,620 0.097,621 0.03,622 0.124,623 0.035,624 0.006,625 -0.138,626 0.022,627 -0.039,628 0.03,629 0.028,630 -0.014,631 0.052,632 -0.001,633 0.013,634 -0.064,635 0.006,636 0.019,637 0.083,638 -0.101,639 0.004,640 -0.082,641 -0.072,642 1.334,643 2.25,644 0.9,645 26.693,646 1.018,647 1.128,648 2.574,649 6.625,650 0.687,651 3.555,652 3.871,653 4.174,654 4.466,655 4.682,656 4.71,657 4.828,658 4.949,659 4.984,660 5.069,661 6.889,662 0.666,663 425.91,664 3.555,665 5.094,666 5.953,667 6.832,668 7.706,669 8.59,670 9.468,671 10.353,672 11.233,673 12.119,674 10,680 1,682 2,684 2,690 8,691 2,695 8,697 18,709 2,711 1,714 2,715 1,716 50,718 18,719 2,720 34,722 54,723 21,724 16,725 6,726 6,728 5,729 6,730 1,740 16,741 5,757 1,760 20,761 8,762 2,763 9,764 1,769 5,775 0.8,776 3,788 1,793 1,794 4,797 1,818 1,819 4,824 1,827 30,833 5,834 2,835 3,838 1,849 1,850 6,854 1,855 2,858 14,859 8.91,860 6.556,861 2.891,863 3.722,864 1.458,865 1.019,866 5.702,867 11.841,868 3.784,869 4.363,870 4.925,871 5.48,872 5.997,873 6.152,874 6.476,875 6.876,876 7.185,877 7.513,878 1,879 47,880 11.041,881 4.708,882 7.648,883 21.16,884 17.34,885 2.148,886 64.444,889 1,890 211.88,891 121.912,892 72.717,893 39.149,894 33,897 121.912,898 284.028,899 72.717,901 20.046,902 66.334,903 56.342,904 92.451,905 27.769,906 176.567,907 39.149,908 211.88,909 194.629,910 33,911 39.149,913 211.88,914 22,915 11,917 67.014,918 94.044,919 72.72,921 211.88,922 105.717,923 161.061,926 211.88,927 46.531,928 78.505,929 36.022,930 105.719,931 211.88,932 105.717,933 161.061,935 0.575,936 0.342,937 0.197,938 0.107,939 24,940 9,941 0.093,942 5,943 1,944 1.074,945 4.241,946 276.068,947 0.074,948 27,949 143.207,954 19.542,955 8.754,956 4.243,958 105.717,959 15.101,960 8.948,964 5.449,966 36.022,967 478.657,968 43,980 50.883,981 56.385,983 0.309,984 0.661,985 0.824,986 0.901,987 0.915,988 0.922,989 5.021,990 1.524,991 5.916,992 4.64,993 4.554,994 5.05,995 2.142,996 6.72,997 4.41,998 6.198,999 1.418,1000 7.461,1001 3.597,1002 4.007,1003 4.745,1004 0.325,1005 7.591,1006 3.757,1007 7.491,1008 1.191,1009 9.11,1010 3.06,1011 6.129,1012 7.196,1013 2.334,1014 10.727,1015 5.854,1016 8.822,1017 1.125,1018 10.823,1019 2.662,1020 6.463,1021 7.741,1022 0.268,1023 12.476,1024 6.087,1025 10.188,1026 1,1027 12.579,1028 2.513,1029 7.998,1030 9.641,1031 2.813,1032 15.103,1033 7.597,1034 11.578,1035 1,1036 14.365,1037 2.396,1038 8.748,1039 10.589,1040 0.188,1041 17.206,1042 8.259,1043 12.988,1044 0.659,1045 16.172,1046 2.136,1047 10.039,1048 12.246,1049 3.398,1050 19.661,1051 9.514,1052 3.145,1053 0.274,1054 17.996,1055 1.779,1056 10.989,1057 13.401,1058 0.125,1059 21.911,1060 10.387,1061 3.03,1062 10.781,1063 19.831,1064 0.652,1065 12.177,1066 14.937,1067 4.025,1068 24.305,1069 11.53,1070 2.668,1071 10.226,1072 21.676,1073 4.173,1074 13.222,1075 16.203,1076 0.082,1077 26.617,1078 12.504,1079 2.354,1080 7.901,1081 23.529,1082 3.894,1083 14.37,1084 17.677,1085 4.671,1086 28.99,1087 13.599,1088 2.224,1089 7.23,1090 25.387,1091 3.629,1092 15.458,1093 19.005,1094 0.054,1095 31.329,1096 14.621,1097 1.963,1098 6.455,1099 27.251,1100 2.945,1101 16.591,1102 20.446,1103 5.325,1104 33.694,1105 15.697,1106 1.677,1107 5.542,1108 29.12,1109 2.623,1110 17.701,1111 21.809,1112 0.035,1113 36.046,1114 16.741,1115 11775,1116 20146,1117 23.75,1118 34.341,1119 50.72,1120 51.985,1121 51.426,1122 50.831,1123 50.707,1124 64.157,1125 8.766,1126 143.655,1127 46.961,1128 5.489,1129 5.486,1130 6.486,1131 5.186,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.931,1137 7.132,1138 1.492,1139 1.529,1140 1.513,1141 1.495,1142 1.491,1143 1.887,1144 0.258,1145 4.225,1146 1.381,1147 4.011,1148 4.047,1149 4.057,1150 3.893,1151 5.088,1152 3.904,1153 3.939,1154 3.961,1155 3.914,1156 3.841,1157 4.984,1158 3.848,1159 3.782,1160 3.83,1161 3.744,1162 3.611,1163 4.751,1164 3.636,1165 3.666,1166 3.714,1167 3.546,1168 3.475,1169 4.708,1170 3.484,1171 3.306,1172 3.326,1173 3.495,1174 3.051,1175 4.583,1176 3.082,1177 3.117,1178 3.206,1179 3.033,1180 2.941,1181 4.138,1182 2.931,1183 3.111,1184 3.194,1185 2.923,1186 2.911,1187 4.041,1188 2.91,1189 2.987,1190 3.062,1191 2.866,1192 2.805,1193 3.983,1194 2.814,1195 0.132,1196 0.103,1197 0.197,1198 0.12,1199 0.093,1200 4.489,1201 0.123,1202 3.486,1203 0.041,1204 6.684,1205 0.317,1206 4.083,1207 0.086,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.931,1213 1.923,1214 1.888,1215 2.032,1216 2.067,1217 1.239,1218 2.056,1219 1.861,1220 1.845,1221 1.916,1222 1.986,1223 1.057,1224 1.971,1225 1.699,1226 1.653,1227 1.855,1228 1.876,1229 1.019,1230 1.868,1231 1.624,1232 1.571,1233 1.782,1234 1.813,1235 0.825,1236 1.815,1237 1.166,1238 1.133,1239 1.513,1240 1.521,1241 0.776,1242 1.486,1243 1.153,1244 1.064,1245 1.435,1246 1.376,1247 0.578,1248 1.429,1249 1.038,1250 0.969,1251 1.239,1252 1.296,1253 0.299,1254 1.286,1255 0.889,1256 0.829,1257 1.155,1258 1.162,1259 0.266,1260 1.16,1261 4.234,1263 5.549,1264 2.398,1265 7.067,1266 4.595,1267 8.678,1268 6.605,1269 10.336,1272 6.361,1277 3.303,1278 6.551,1279 16.441,1282 2.29,1289 33.293,1290 87.151,1291 186.567,1292 232.541,1293 254.193,1294 258.193,1295 260.193,1296 36.507,1297 8.119,1298 80.77,1299 80.77,1300 29,1301 12.652,1302 4.248,1303 3.322,1304 41.6,1305 126,1306 112,1307 0.159,1308 203.189,1309 350.18,1310 487.542,1311 45127,1312 2,1313 20.338,1314 0.678,1315 0.562,1316 20.838,1317 16.855,1318 14.776,1319 0.435,1320 0.295,1321 9.477,1322 13.743,1323 9.325,1324 7.629,1325 15.065,1326 10.025,1327 13.05,1328 0.278,1329 0.153,1330 13.421,1331 7.195,1332 11.348,1333 0.177,1334 0.081,1335 11.706,1336 5.214,1337 9.863,1338 0.115,1339 0.043,1340 10.138,1341 3.657,1342 8.065,1343 0.075,1344 0.023,1345 8.395,1346 2.472,1347 0.251,1348 96.902,1349 0.205,1350 28.311,1351 0.434,1352 162,1353 513.011,1354 198.223,1355 511.572,1356 700.7,1357 484,1358 192,1359 500.014,1360 225.796,1361 509.604,1362 755.09,1363 480,1364 5.105}
{0 CHEMBL258016,1 1.946,2 11.286,3 4.17,4 17.39,5 104.281,6 9.742,7 0.581,8 3.918,9 3.993,10 3.836,11 3.505,12 5.085,13 3.494,14 4.43,15 4.532,16 4.142,17 3.858,18 5.844,19 3.852,20 4.596,21 4.738,22 4.152,23 3.93,24 5.887,25 3.901,26 4.593,27 4.747,28 4.056,29 3.862,30 5.863,31 3.821,32 4.561,33 4.763,34 3.982,35 3.774,36 5.745,37 3.728,38 4.39,39 4.579,40 3.859,41 3.692,42 5.571,43 3.638,44 4.317,45 4.479,46 3.83,47 3.594,48 5.531,49 3.559,50 4.282,51 4.485,52 3.687,53 3.499,54 5.56,55 3.431,56 0.186,57 0.664,58 6.776,59 4.073,60 18.205,61 3.586,62 0.606,63 1.035,64 15.082,65 6.944,66 54.419,67 6.428,68 0.656,69 1.174,70 19.35,71 7.703,72 57.84,73 7.252,74 0.722,75 1.137,76 21.49,77 7.939,78 52.494,79 7.826,80 0.734,81 1.085,82 21.403,83 7.194,84 62.878,85 8.13,86 0.539,87 0.939,88 20.521,89 6.646,90 41.232,91 7.709,92 0.541,93 0.89,94 14.493,95 5.217,96 38.416,97 5.501,98 0.579,99 0.835,100 16.347,101 5.848,102 49.279,103 6.993,104 18,105 45,106 0.334,107 0.654,108 0.785,109 0.863,110 0.863,111 0.863,112 3.374,113 1.009,114 -3.8,115 -3.76,116 -3.57,118 41.9,123 1,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 3,171 3,173 3,175 3,178 3,182 6,184 1,186 4,188 3,192 10,195 2,196 1,197 2,203 1,204 8,211 2,214 1,215 2,218 2,220 2,223 3,227 1,228 2,231 1,233 4,235 2,239 5,240 1,243 1,245 1,252 2,260 4,264 1178,265 18.574,266 18.574,267 18.574,268 18.574,269 18.574,270 16.021,271 26.892,272 10.739,273 19.311,274 15.323,275 15.323,276 15.323,277 15.323,278 15.323,279 11.424,280 43.726,281 5.113,282 16.646,283 3.481,284 1.611,285 0.847,286 0.39,287 0.39,288 0.39,289 4.068,290 1,293 1,294 1,295 688,296 3.464,299 63.178,300 261.234,303 117.347,307 1.929,308 37.599,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 62.333,320 316,321 4.801,322 5.18,323 7.111,324 4.179,325 3.314,326 4.66,327 2.95,328 11.657,329 2.93,330 4.489,331 3.486,332 6.684,333 4.082,334 3.145,335 4.173,336 1.392,337 10.781,338 2.842,339 4.102,340 2.951,341 5.722,342 3.664,343 2.739,344 3.695,345 0.532,346 8.054,347 2.531,348 3.846,349 2.872,350 5.601,351 3.409,352 2.458,353 3.394,354 0.4,355 7.38,356 2.329,357 3.617,358 2.673,359 5.307,360 3.2,361 2.293,362 2.943,363 0.4,364 6.77,365 2.043,366 3.329,367 2.477,368 4.875,369 2.882,370 1.96,371 2.6,373 5.602,374 1.785,375 3.077,376 2.144,377 4.619,378 2.625,379 1.679,380 2.288,382 4.672,383 1.566,384 3.008,385 1.975,386 4.545,387 2.506,388 1.548,389 2.2,391 4.549,392 1.474,393 2.664,394 1.806,395 3.622,396 2.144,397 1.201,398 1.74,400 2.68,401 1.124,402 2.5,403 1.308,404 3.485,405 2.096,406 1.126,407 1.5,409 2.514,410 1.075,411 2.236,412 1.116,413 3.417,414 2,415 1,416 1.218,417 2.275,418 1,419 1.788,420 1,421 3.414,422 1.555,423 0.659,424 0.721,425 1.78,426 0.584,427 1.522,428 0.924,429 3.011,430 1.141,431 0.274,432 0.329,433 0.652,434 0.212,435 1.38,436 0.775,437 2.924,438 1.018,439 0.085,440 0.105,441 0.226,442 0.079,443 1,444 0.184,445 2.628,446 0.476,447 -0.417,448 -0.514,449 -1.044,450 -0.334,451 13.481,452 0.481,453 0.86,454 0.031,455 42.25,456 1.509,457 23,458 0.821,459 19.25,460 0.688,461 19.169,462 0.685,463 29.719,464 0.691,465 31.152,466 1.113,467 8.205,468 0.293,469 5.193,470 0.185,471 0.14,472 0.062,473 0.297,478 0.732,479 1.319,480 0.674,481 1.111,482 0.709,483 0.828,484 0.881,485 1.017,486 0.876,487 0.994,488 0.632,489 0.853,490 1.145,491 1.178,492 1.031,493 1.007,494 1.214,495 1.016,496 1.08,497 1.131,498 1.114,499 1.089,500 1.042,501 1.141,502 0.896,503 0.935,504 0.754,505 0.739,506 0.877,507 0.872,508 0.733,509 1.04,510 1.012,511 0.895,512 0.492,513 0.913,514 0.914,515 1.135,516 0.928,517 1.021,518 0.845,519 1.106,520 0.608,521 0.926,522 0.752,523 0.793,524 0.522,525 0.923,526 7,527 0.126,528 3.333,529 1.875,530 1.489,531 0.771,532 0.475,533 0.385,534 0.292,535 0.23,536 10504,537 38235,538 2.085,539 34.9,541 10,542 2,543 1,544 2,549 1.707,550 1.942,551 3.435,552 0.353,554 1,558 83.667,559 1.946,560 3.816,561 4.58,562 5.037,563 5.037,564 5.037,565 2.874,566 3.941,567 4.782,568 3.684,569 1392.61,570 8.292,571 18815.4,573 1,575 1,576 233.329,577 1.572,578 4.728,579 0.226,580 0.005,581 0.074,582 0.044,583 0.039,584 0.023,585 0.014,586 0.013,587 0.011,588 0.01,589 0.459,590 0.33,591 1,592 0.744,593 141.969,594 -0.04,595 -0.168,596 0.112,597 -0.081,598 -0.179,599 0.016,600 0.087,601 0.059,602 -0.056,603 -0.014,604 0.208,605 0.009,606 -0.204,607 -0.135,608 -0.149,609 -0.085,610 -0.17,611 -0.12,612 -0.113,613 -0.132,614 -0.183,615 -0.181,616 -0.112,617 -0.214,618 -0.02,619 0.037,620 0.12,621 0.106,622 -0.068,623 0.119,624 0.046,625 -0.046,626 -0.011,627 0.017,628 0.065,629 0.088,630 -0.03,631 -0.09,632 -0.081,633 -0.157,634 -0.125,635 -0.201,636 0.246,637 0.064,638 0.125,639 0.11,640 0.235,641 0.086,642 4.163,643 4.546,644 0.75,645 25.939,646 1.033,647 1.121,648 2.57,649 6.606,650 0.719,651 3.466,652 3.829,653 4.06,654 4.304,655 4.5,656 4.575,657 4.654,658 4.762,659 4.779,660 4.868,661 7.007,662 0.7,663 418.89,664 3.466,665 5.03,666 5.878,667 6.767,668 7.63,669 8.519,670 9.387,671 10.275,672 11.146,673 12.034,674 9.3,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 1,716 43,718 20,719 2,720 31,722 46,723 18,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 2,744 2,747 1,749 2,757 1,760 15,761 8,762 2,763 10,764 2,769 4,775 0.75,776 4,788 1,793 1,794 3,797 1,819 3,821 1,823 1,824 1,827 28,830 1,833 1,834 2,835 2,849 1,850 9.3,853 2,855 2,858 14.417,859 8.043,860 5.917,861 2.232,863 3.634,864 1.472,865 1.016,866 5.122,867 11.325,868 3.761,869 4.425,870 4.922,871 5.459,872 5.981,873 6.191,874 6.478,875 6.835,876 7.159,877 7.527,878 1,879 43,880 10.446,881 4.682,882 7.995,883 19.159,884 15.764,885 2.495,886 69.861,889 1,890 153.024,891 120.546,892 69.593,893 39.149,894 66.313,896 6.046,897 114.5,898 258.486,899 69.593,900 7.19,901 6.65,902 72.38,903 89.655,904 88.12,905 27.769,906 117.711,907 39.149,908 153.024,909 184.093,910 66.313,911 45.195,913 153.024,914 66.313,917 53.618,918 96.904,919 78.766,921 153.024,922 135.905,923 159.695,925 6.046,926 153.024,927 31.929,928 82.572,929 36.022,930 139.032,931 153.024,932 135.905,933 159.695,935 0.596,936 0.336,937 0.173,938 0.091,939 23,940 10,941 0.109,942 5,943 1,944 1.095,945 3.993,946 242.711,947 0.095,948 21,949 128.606,953 1,954 18.962,955 7.564,956 4.231,958 135.905,959 13.038,960 8.567,964 3.868,966 36.022,967 448.625,968 42,971 -3.247,973 23.091,980 44.418,981 48.186,983 0.359,984 0.703,985 0.844,986 0.928,987 0.928,988 0.928,989 5.014,990 1.548,991 5.905,992 4.672,993 4.511,994 5.112,995 3.156,996 6.749,997 4.346,998 6.267,999 1.201,1000 7.493,1001 4.549,1002 4.29,1003 5.198,1005 7.888,1006 3.942,1007 7.622,1008 1.126,1009 9.19,1010 2.68,1011 6.188,1012 7.431,1013 5.077,1014 10.895,1015 5.833,1016 9.018,1017 1,1018 10.953,1019 2.514,1020 6.758,1021 8.299,1023 12.839,1024 6.198,1025 10.446,1026 0.659,1027 12.761,1028 2.275,1029 8.182,1030 10.076,1031 7.196,1032 15.438,1033 7.603,1034 11.898,1035 0.274,1036 14.599,1037 1.78,1038 9.091,1039 11.285,1041 17.685,1042 8.321,1043 13.368,1044 0.085,1045 16.46,1046 0.652,1047 10.347,1048 12.897,1049 9.35,1050 20.166,1051 9.526,1052 3.314,1053 -0.417,1054 18.339,1055 0.226,1056 11.404,1057 14.265,1059 22.528,1060 10.414,1061 3.145,1062 11.657,1063 20.231,1064 -1.044,1065 12.6,1066 15.814,1067 11.512,1068 24.974,1069 11.531,1070 2.739,1071 10.781,1072 22.134,1073 4.66,1074 13.723,1075 17.258,1077 27.38,1078 12.503,1079 2.458,1080 8.054,1081 24.045,1082 4.173,1083 14.901,1084 18.785,1085 13.675,1086 29.818,1087 13.583,1088 2.293,1089 7.38,1090 25.964,1091 3.695,1092 16.053,1093 20.268,1095 32.242,1096 14.597,1097 1.96,1098 6.77,1099 27.888,1100 3.394,1101 17.228,1102 21.788,1103 15.838,1104 34.679,1105 15.662,1106 1.679,1107 5.602,1108 29.816,1109 2.943,1110 18.394,1111 23.291,1113 37.112,1114 16.698,1115 9957,1116 19153,1117 20.572,1118 30.915,1119 46.786,1120 50.081,1121 47.382,1122 47.17,1123 46.961,1124 63.136,1125 11.346,1126 139.182,1127 43.148,1128 5.658,1129 7.18,1130 6.662,1131 5.26,1132 5.314,1133 7.66,1134 5.9,1135 18.814,1136 4.93,1137 14.132,1138 1.509,1139 1.616,1140 1.528,1141 1.522,1142 1.515,1143 2.037,1144 0.366,1145 4.49,1146 1.392,1147 4.083,1148 4.071,1149 4.735,1150 4.091,1151 7.716,1152 3.991,1153 3.976,1154 3.983,1155 4.054,1156 3.87,1157 6.999,1158 3.879,1159 3.813,1160 3.847,1161 3.827,1162 3.662,1163 5.087,1164 3.664,1165 3.634,1166 3.638,1167 3.656,1168 3.55,1169 4.983,1170 3.506,1171 3.305,1172 3.325,1173 3.495,1174 3.05,1175 4.711,1176 3.081,1177 3.075,1178 3.154,1179 2.997,1180 2.858,1181 4.682,1182 2.88,1183 2.951,1184 3.031,1185 2.921,1186 2.765,1187 4.134,1188 2.771,1189 2.854,1190 2.925,1191 2.822,1192 2.735,1193 4.041,1194 2.715,1195 0.155,1196 0.167,1197 0.229,1198 0.135,1199 0.107,1200 4.801,1201 0.15,1202 5.18,1203 0.095,1204 7.111,1205 0.376,1206 4.179,1207 0.095,1208 3.314,1209 4.66,1210 2.95,1211 11.657,1212 2.93,1213 1.976,1214 1.987,1215 1.994,1216 2.055,1217 1.214,1218 2.082,1219 1.865,1220 1.848,1221 1.913,1222 1.98,1223 1.057,1224 1.975,1225 1.71,1226 1.674,1227 1.784,1228 1.861,1229 0.846,1230 1.857,1231 1.539,1232 1.541,1233 1.584,1234 1.673,1235 0.763,1236 1.722,1237 1.165,1238 1.132,1239 1.435,1240 1.521,1241 0.578,1242 1.486,1243 0.975,1244 0.897,1245 1.184,1246 1.253,1247 0.258,1248 1.245,1249 0.886,1250 0.821,1251 1.181,1252 1.144,1253 0.218,1254 1.15,1255 0.879,1256 0.801,1257 1.12,1258 1.062,1259 0.178,1260 1.107,1261 4.143,1263 5.493,1264 2.398,1265 7.026,1266 4.595,1267 8.64,1268 6.605,1269 10.295,1271 1.161,1272 6.273,1277 0.129,1278 6.15,1279 10.829,1289 30.12,1290 83.667,1291 164.068,1292 196.923,1293 216.574,1294 216.574,1295 216.574,1296 48.358,1297 7.691,1298 102.44,1299 110.82,1300 23,1301 12.567,1302 4.392,1303 3.585,1304 42.638,1305 120,1306 102,1307 0.174,1308 190.138,1309 326.94,1310 455.698,1311 25168,1312 2.3,1313 19.725,1314 0.704,1315 0.579,1316 20.475,1317 16.212,1318 13.398,1319 0.432,1320 0.336,1321 8.191,1322 11.721,1323 7.813,1324 6.451,1325 14.581,1326 10.423,1327 13.027,1328 0.289,1329 0.186,1330 14.785,1331 8.391,1332 10.227,1333 0.179,1334 0.094,1335 11.342,1336 5.379,1337 8.459,1338 0.116,1339 0.047,1340 9.25,1341 3.423,1342 6.628,1343 0.074,1344 0.025,1345 7.326,1346 2.209,1347 0.278,1348 97.002,1349 0.22,1350 26.945,1351 0.465,1352 152,1353 535.962,1354 219.89,1355 558.201,1356 745.26,1357 516,1358 178,1359 502.285,1360 247.667,1361 546.392,1362 794.8,1363 509,1364 6.201}
{0 CHEMBL258435,1 1.782,2 11.077,3 4.523,4 20.458,5 96.264,6 9.626,7 0.621,8 3.798,9 3.888,10 3.578,11 3.366,12 5.066,13 3.395,14 4.265,15 4.374,16 3.95,17 3.723,18 5.53,19 3.736,20 4.425,21 4.584,22 3.989,23 3.793,24 5.644,25 3.778,26 4.421,27 4.593,28 3.909,29 3.703,30 5.654,31 3.678,32 4.349,33 4.543,34 3.876,35 3.63,36 5.568,37 3.608,38 4.241,39 4.412,40 3.747,41 3.595,42 5.442,43 3.564,44 4.2,45 4.369,46 3.668,47 3.499,48 5.428,49 3.469,50 4.111,51 4.322,52 3.417,53 3.354,54 5.287,55 3.295,56 0.127,57 0.579,58 4.039,59 2.781,60 9.478,61 2.655,62 0.414,63 0.893,64 8.501,65 4.764,66 20.929,67 4.569,68 0.405,69 1.033,70 13.607,71 5.655,72 25.92,73 5.93,74 0.538,75 1.001,76 16.607,77 5.887,78 38.746,79 6.048,80 0.522,81 0.93,82 15.608,83 5.27,84 42.155,85 5.561,86 0.376,87 0.825,88 15.256,89 5.206,90 30.062,91 5.746,92 0.414,93 0.794,94 11.986,95 4.571,96 28.3,97 4.875,98 0.388,99 0.722,100 13.185,101 4.775,102 32.68,103 5.772,104 6,105 40,106 0.313,107 0.654,108 0.784,109 0.874,110 0.874,111 0.874,112 3.304,113 0.834,114 -3.81,115 -3.77,116 -3.58,118 47.4,125 1,138 7,139 1,140 5,141 1,143 1,146 1,153 1,167 5,170 2,171 4,173 3,175 3,178 5,182 4,184 1,186 4,188 3,192 8,195 2,196 1,197 3,203 1,204 8,211 2,214 1,215 4,218 1,220 2,223 3,227 1,228 2,231 1,233 4,235 2,239 3,240 1,243 1,245 2,247 1,252 2,260 4,264 1002,265 17.972,266 17.972,267 17.972,268 17.972,269 17.972,270 15.628,271 27.064,272 10.606,273 18.475,274 14.276,275 14.276,276 14.276,277 14.276,278 14.276,279 10.678,280 43.585,281 4.984,282 15.19,283 3.465,284 1.517,285 0.78,286 0.263,287 0.263,288 0.263,289 4.005,290 1,293 1,294 1,295 634,296 2.646,299 56.558,300 234.717,303 105.118,307 1.852,308 25.405,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 56.833,320 288,321 4.489,322 4.057,323 6.684,324 4.082,325 3.145,326 4.173,327 2.035,328 10.781,329 2.93,330 4.149,331 3.486,332 5.727,333 3.71,334 2.765,335 3.748,336 1.392,337 8.073,338 2.64,339 4.026,340 2.951,341 5.613,342 3.538,343 2.576,344 3.608,345 0.532,346 7.445,347 2.451,348 3.68,349 2.869,350 5.409,351 3.264,352 2.345,353 2.963,354 0.4,355 7.018,356 2.167,357 3.595,358 2.609,359 5.156,360 3.124,361 2.183,362 2.884,363 0.4,364 6.378,365 2.004,366 3.285,367 2.35,368 4.804,369 2.802,370 1.873,371 2.513,373 5.386,374 1.716,375 3.047,376 2.107,377 4.612,378 2.606,379 1.661,380 2.24,382 4.633,383 1.553,384 2.929,385 1.943,386 3.622,387 2.149,388 1.208,389 1.747,391 2.684,392 1.129,393 2.664,394 1.803,395 3.485,396 2.097,397 1.126,398 1.5,400 2.514,401 1.075,402 2.5,403 1.299,404 3.417,405 2,406 1,407 1.218,409 2.275,410 1,411 2.236,412 1.115,413 3.414,414 1.556,415 0.66,416 1.081,417 1.78,418 0.585,419 1.788,420 1,421 3.012,422 1.533,423 0.588,424 0.721,425 1.006,426 0.554,427 1.522,428 0.775,429 2.923,430 1.14,431 0.274,432 0.329,433 0.65,434 0.212,435 1.407,436 0.456,437 2.594,438 0.933,443 0.93,444 -0.048,445 2.526,446 0.47,447 -0.42,448 -0.519,449 -1.03,450 -0.336,451 12.381,452 0.476,453 0.533,454 0.021,455 41,456 1.577,457 23,458 0.885,459 18,460 0.692,461 15.915,462 0.612,463 26.019,464 0.685,465 27.942,466 1.075,467 8.126,468 0.313,469 4.599,470 0.177,471 0.09,473 0.323,478 0.909,479 1.232,480 0.54,481 0.9,482 0.627,483 0.754,484 0.989,485 0.954,486 0.707,487 0.86,488 0.63,489 0.854,490 0.953,491 1.223,492 0.965,493 1.07,494 0.766,495 1.037,496 1.084,497 1.094,498 1.177,499 1.104,500 1.123,501 1.102,502 0.995,503 0.936,504 0.923,505 0.808,506 0.968,507 0.845,508 1.008,509 1.024,510 1.239,511 1.041,512 0.79,513 0.989,514 0.903,515 1.124,516 1.044,517 1.16,518 0.862,519 1.173,520 0.763,521 0.839,522 0.903,523 0.924,524 0.65,525 1.004,526 5,527 0.085,528 2.444,529 1.375,530 1.409,531 0.535,532 0.434,533 0.26,534 0.217,535 0.141,536 8630,537 29381,538 2.148,539 31.6,541 7,542 2,543 1,544 2,549 1.688,550 2.053,551 3.411,552 0.327,558 67.733,559 1.782,560 3.731,561 4.468,562 4.985,563 4.985,564 4.985,565 2.907,566 4.239,567 4.673,568 3.602,569 1170.77,570 8.083,571 14767.4,573 1,576 199.421,577 1.239,578 4.65,579 0.172,580 0.004,581 0.061,582 0.035,583 0.041,584 0.017,585 0.014,586 0.01,587 0.01,588 0.007,589 0.372,590 0.33,591 1,592 0.646,593 128.092,594 -0.13,595 -0.169,596 0.01,597 -0.061,598 -0.06,599 0.006,600 0.054,601 0.072,602 -0.022,603 0.024,604 -0.008,605 -0.046,606 -0.075,607 -0.198,608 -0.059,609 -0.146,610 -0.042,611 -0.126,612 -0.044,613 -0.092,614 -0.122,615 -0.144,616 -0.129,617 -0.155,618 -0.014,619 0.087,620 0.113,621 0.153,622 -0.033,623 0.137,624 -0.077,625 -0.049,626 -0.115,627 -0.049,628 -0.045,629 -0.004,630 0.056,631 -0.122,632 -0.111,633 -0.217,634 -0.051,635 -0.23,636 0.139,637 0.111,638 0.055,639 0.082,640 0.192,641 0.074,642 1.348,643 2.851,644 0.808,645 22.426,646 1.027,647 1.119,648 2.579,649 6.651,650 0.733,651 3.401,652 3.714,653 3.989,654 4.248,655 4.454,656 4.489,657 4.575,658 4.691,659 4.71,660 4.771,661 6.538,662 0.723,663 365.8,664 3.401,665 4.934,666 5.784,667 6.655,668 7.519,669 8.395,670 9.264,671 10.142,672 11.014,673 11.894,674 13.2,682 2,683 1,684 2,690 8,691 2,695 8,697 18,699 1,709 2,714 2,715 1,716 38,718 19,719 2,720 29,722 41,723 18,724 16,725 6,726 6,728 4,729 5,730 1,739 1,740 16,741 1,757 1,760 12,761 7,762 2,763 8,764 1,769 5,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,824 1,827 26,833 1,834 2,835 2,842 1,846 1,848 1,849 1,850 5.3,855 2,858 12.667,859 6.993,860 5.75,861 2.08,863 3.632,864 1.483,865 1.015,866 4.59,867 11.159,868 3.714,869 4.297,870 4.877,871 5.42,872 5.946,873 6.119,874 6.408,875 6.791,876 7.11,877 7.46,878 1,879 39,880 9.487,881 4.026,882 7.863,883 17.693,884 14.175,885 2.363,886 61.444,890 117.711,891 125.547,892 100.652,893 39.149,894 22,897 125.547,898 178.859,899 100.652,901 6.65,902 66.334,903 61.944,904 120.815,905 27.769,906 82.398,907 39.149,908 117.711,909 226.199,910 22,911 39.149,913 117.711,914 22,917 84.678,918 107.95,919 72.72,921 117.711,922 122.652,923 164.695,926 117.711,927 33.564,928 75.381,929 52.623,930 125.779,931 117.711,932 122.652,933 164.695,935 0.576,936 0.341,937 0.185,938 0.099,939 20,940 8,941 0.098,942 4,943 1,944 1.095,945 3.9,946 218.446,947 0.095,948 21,949 118.211,954 16.615,955 7.183,956 3.586,958 122.652,959 13.833,960 8.617,964 4.569,966 36.022,967 405.058,968 40,980 39.022,981 42.515,983 0.34,984 0.711,985 0.851,986 0.95,987 0.95,988 0.95,989 4.945,990 1.208,991 5.753,992 4.633,993 4.394,994 4.984,995 2.664,996 6.538,997 4.271,998 6.154,999 1.126,1000 7.291,1001 2.684,1002 3.892,1003 4.691,1005 7.368,1006 3.664,1007 7.455,1008 1,1009 8.926,1010 2.514,1011 5.964,1012 7.166,1013 3.762,1014 10.459,1015 5.723,1016 8.79,1017 0.66,1018 10.618,1019 2.275,1020 6.293,1021 7.685,1023 12.142,1024 5.943,1025 10.152,1026 0.588,1027 12.35,1028 1.78,1029 7.799,1030 9.605,1031 5.059,1032 14.748,1033 7.436,1034 11.535,1035 0.274,1036 14.108,1037 1.006,1038 8.525,1039 10.515,1041 16.811,1042 8.058,1043 12.934,1045 15.889,1046 0.65,1047 9.798,1048 12.186,1049 6.424,1050 19.26,1051 9.304,1052 3.145,1053 -0.42,1054 17.686,1056 10.724,1057 13.309,1059 21.498,1060 10.133,1061 2.765,1062 10.781,1063 19.498,1064 -1.03,1065 11.899,1066 14.854,1067 7.819,1068 23.895,1069 11.267,1070 2.576,1071 8.073,1072 21.322,1073 4.173,1074 12.926,1075 16.099,1077 26.21,1078 12.205,1079 2.345,1080 7.445,1081 23.157,1082 3.748,1083 14.065,1084 17.577,1085 9.228,1086 28.592,1087 13.29,1088 2.183,1089 7.018,1090 25.002,1091 3.608,1092 15.142,1093 18.892,1095 30.941,1096 14.284,1097 1.873,1098 6.378,1099 26.854,1100 2.963,1101 16.27,1102 20.336,1103 10.643,1104 33.318,1105 15.35,1106 1.661,1107 5.386,1108 28.714,1109 2.884,1110 17.374,1111 21.693,1113 35.683,1114 16.375,1115 8113,1116 15113,1117 19.879,1118 27.841,1119 44.014,1120 46.681,1121 44.028,1122 42.905,1123 42.806,1124 57.45,1125 9.515,1126 121.243,1127 40.03,1128 5.346,1129 6.057,1130 6.239,1131 5.161,1132 5.145,1133 7.173,1134 4.069,1135 17.937,1136 4.93,1137 9.539,1138 1.518,1139 1.61,1140 1.518,1141 1.479,1142 1.476,1143 1.981,1144 0.328,1145 4.181,1146 1.38,1147 3.999,1148 4.029,1149 4.056,1150 3.889,1151 6.82,1152 3.9,1153 3.92,1154 3.942,1155 3.893,1156 3.843,1157 5.087,1158 3.846,1159 3.772,1160 3.815,1161 3.74,1162 3.613,1163 4.983,1164 3.637,1165 3.309,1166 3.334,1167 3.495,1168 3.082,1169 4.712,1170 3.11,1171 3.245,1172 3.297,1173 3.215,1174 3.049,1175 4.683,1176 3.078,1177 3.034,1178 3.109,1179 2.954,1180 2.831,1181 4.134,1182 2.85,1183 2.868,1184 2.948,1185 2.916,1186 2.735,1187 4.041,1188 2.715,1189 2.854,1190 2.925,1191 2.763,1192 2.653,1193 3.953,1194 2.678,1195 0.155,1196 0.14,1197 0.23,1198 0.141,1199 0.108,1200 4.489,1201 0.144,1202 4.057,1203 0.07,1204 6.684,1205 0.372,1206 4.082,1207 0.101,1208 3.145,1209 4.173,1210 2.035,1211 10.781,1212 2.93,1213 1.914,1214 1.885,1215 2.007,1216 2.038,1217 1.074,1218 2.024,1219 1.86,1220 1.844,1221 1.913,1222 1.959,1223 1.055,1224 1.956,1225 1.695,1226 1.651,1227 1.784,1228 1.846,1229 0.776,1230 1.834,1231 1.18,1232 1.14,1233 1.435,1234 1.522,1235 0.578,1236 1.486,1237 1.152,1238 1.112,1239 1.269,1240 1.373,1241 0.256,1242 1.347,1243 0.908,1244 0.832,1245 1.181,1246 1.188,1247 0.218,1248 1.176,1249 0.886,1250 0.821,1251 1.13,1252 1.062,1253 0.176,1254 1.107,1255 0.79,1256 0.782,1257 0.957,1258 1.053,1260 1.037,1261 4.078,1263 5.389,1264 2.398,1265 6.897,1266 4.595,1267 8.494,1268 6.605,1269 10.137,1272 6.272,1277 0.152,1278 6.234,1279 10.84,1287 8.851,1288 2.077,1289 27.471,1290 67.733,1291 141.77,1292 169.77,1293 189.421,1294 189.421,1295 189.421,1296 33.027,1297 7.526,1298 92.09,1299 92.09,1300 23,1301 12.432,1302 4.322,1303 3.585,1304 38.167,1305 102,1306 116,1307 0.181,1308 171.954,1309 296.57,1310 411.329,1311 20412,1312 2.6,1313 17.933,1314 0.69,1315 0.543,1316 18.433,1317 14.118,1318 12.725,1319 0.439,1320 0.278,1321 7.572,1322 11.89,1323 7.425,1324 6.133,1325 13.013,1326 8.059,1327 11.238,1328 0.281,1329 0.144,1330 11.609,1331 5.768,1332 9.699,1333 0.183,1334 0.075,1335 10.057,1336 3.982,1337 8.07,1338 0.117,1339 0.038,1340 8.345,1341 2.635,1342 6.461,1343 0.076,1344 0.021,1345 6.791,1346 1.745,1347 0.287,1348 83.372,1349 0.224,1350 25.269,1351 0.489,1352 138,1353 465.276,1354 169.624,1355 479.003,1356 647.42,1357 448,1358 162,1359 457.969,1360 190.502,1361 472.516,1362 690.28,1363 443,1364 5.903}
{0 CHEMBL259084,1 1.805,2 12.382,3 6.167,4 38.036,5 123.999,6 9.732,7 0.632,8 4.038,9 4.122,10 3.816,11 3.667,12 5.347,13 3.681,14 4.508,15 4.617,16 4.228,17 4.057,18 5.92,19 4.061,20 4.792,21 4.932,22 4.383,23 4.222,24 6.131,25 4.224,26 4.87,27 5.039,28 4.381,29 4.18,30 6.355,31 4.184,32 4.817,33 4.98,34 4.353,35 4.193,36 6.118,37 4.187,38 4.846,39 5.019,40 4.384,41 4.181,42 6.209,43 4.165,44 4.792,45 4.977,46 4.335,47 4.091,48 6.219,49 4.054,50 4.613,51 4.797,52 4.07,53 3.902,54 6.046,55 3.858,56 0.191,57 0.819,58 4.764,59 3.856,60 24.096,61 3.682,62 0.415,63 1.332,64 8.932,65 6.355,66 53.058,67 6.425,68 0.585,69 1.774,70 17.729,71 8.989,72 73.495,73 8.972,74 1.019,75 2.073,76 21.224,77 9.337,78 133.233,79 9.046,80 0.701,81 1.794,82 18.749,83 9.09,84 97.64,85 9.039,86 0.853,87 1.966,88 20.823,89 9.764,90 104.276,91 9.633,92 0.951,93 1.667,94 27.385,95 10.125,96 113.46,97 10.879,98 0.83,99 1.414,100 22.3,101 8.175,102 96.873,103 9.093,104 27,105 55,106 0.297,107 0.632,108 0.764,109 0.856,110 0.865,111 0.865,112 3.561,113 0.832,114 -5.59,115 -5.46,116 -5.09,118 51,124 1,138 10,139 5,140 4,141 1,142 1,146 1,152 1,153 1,162 1,165 1,167 10,168 1,170 1,171 7,173 3,175 3,178 15,179 2,182 6,186 4,188 11,189 2,191 2,192 12,197 5,199 7,204 10,208 2,209 1,211 7,215 6,218 2,219 1,220 2,223 11,228 2,229 2,233 1,235 14,239 2,240 6,243 2,245 1,247 12,252 3,257 2,260 8,261 2,264 2032,265 22.878,266 22.878,267 22.878,268 22.878,269 22.878,270 19.557,271 25.112,272 13.193,273 23.346,274 18.738,275 18.738,276 18.738,277 18.738,278 18.738,279 13.783,280 35.76,281 6.247,282 19.613,283 3.81,284 1.781,285 0.979,286 0.424,287 0.367,288 0.367,289 4.268,290 1,294 1,295 921,296 3.162,300 329.203,301 77.306,305 253.799,307 1.934,308 55.089,311 0.75,312 0.83,313 1,314 0.4,316 1,317 1,318 0.71,319 75.333,320 421,321 4.647,322 3.576,323 6.978,324 4.274,325 3.296,326 4.341,327 1.437,328 11.854,329 3.224,330 4.372,331 3.498,332 6.595,333 3.967,334 3.002,335 4.046,336 0.795,337 10.436,338 2.892,339 4.174,340 3.203,341 5.962,342 3.788,343 2.797,344 3.769,345 0.4,346 8.375,347 2.77,348 4.032,349 2.936,350 5.929,351 3.589,352 2.637,353 3.635,355 8.223,356 2.503,357 3.754,358 2.779,359 5.516,360 3.394,361 2.433,362 3.106,364 7.402,365 2.334,366 3.574,367 2.6,368 5.204,369 3.075,370 2.159,371 2.925,373 6.067,374 1.982,375 3.423,376 2.592,377 4.985,378 2.96,379 2.012,380 2.74,382 5.881,383 1.894,384 3.329,385 2.342,386 4.968,387 2.925,388 1.988,389 2.585,391 5.772,392 1.765,393 3.232,394 2.23,395 4.841,396 2.787,397 1.879,398 2.481,400 5.104,401 1.678,402 2.81,403 1.817,404 4.262,405 2.347,406 1.355,407 1.948,409 3.529,410 1.341,411 2.76,412 1.379,413 3.904,414 2.245,415 1.247,416 1.762,417 2.955,418 1.224,419 2.605,420 1.288,421 3.779,422 2.058,423 1.104,424 1.633,425 2.874,426 1.046,427 2.578,428 1.166,429 3.724,430 2.028,431 1.084,432 1.567,433 2.665,434 1.011,435 2.5,436 1,437 3.414,438 2,439 1,440 1.5,441 2.275,442 1,443 1.744,444 0.973,445 3.208,446 1.47,447 0.538,448 0.623,449 1.345,450 0.494,451 16.052,452 0.472,453 0.942,454 0.028,455 49.75,456 1.463,457 27.5,458 0.809,459 22.25,460 0.654,461 26.121,462 0.768,463 34.348,464 0.701,465 42.534,466 1.251,467 10.152,468 0.299,469 6.25,470 0.184,471 0.122,473 0.405,477 2,478 0.648,479 0.908,480 0.538,481 0.79,482 0.614,483 0.726,484 0.571,485 0.913,486 0.627,487 0.879,488 0.522,489 0.862,490 0.921,491 1.168,492 0.923,493 1.059,494 0.839,495 0.995,496 0.955,497 0.944,498 0.902,499 0.896,500 0.886,501 0.943,502 0.953,503 1.075,504 0.837,505 0.918,506 0.899,507 0.938,508 1.131,509 1.213,510 1.032,511 0.978,512 1.105,513 1.019,514 0.868,515 0.99,516 1.131,517 1.052,518 0.822,519 1.027,520 0.815,521 0.892,522 1.255,523 1.079,524 0.85,525 1.124,526 7,527 0.273,528 4.222,529 2.813,530 2.367,531 1.295,532 1.246,533 0.642,534 0.359,535 0.233,536 16087,537 58975,538 2.109,539 30.6,541 12,543 1,544 2,549 1.763,550 1.962,551 3.522,552 0.206,558 88.421,559 1.805,560 3.834,561 4.636,562 5.191,563 5.247,564 5.247,565 3.069,566 4.536,567 5.053,568 3.736,569 2095.78,570 8.88,571 30760.9,576 275.121,577 1.449,578 5.014,579 0.184,580 0.01,581 0.077,582 0.045,583 0.039,584 0.022,585 0.022,586 0.013,587 0.009,588 0.008,589 0.43,590 0.17,591 0.63,592 0.706,593 179.981,594 -0.07,595 -0.037,596 -0.005,597 0.044,598 -0.081,599 0.049,600 0.073,601 -0.007,602 0.008,603 -0.023,604 0.078,605 -0.043,606 -0.119,607 -0.196,608 -0.096,609 -0.142,610 -0.069,611 -0.097,612 0.007,613 0.097,614 -0.058,615 0.022,616 0.047,617 -0.028,618 -0.127,619 -0.11,620 -0.015,621 0.004,622 -0.107,623 -0.003,624 -0.105,625 -0.05,626 -0.048,627 -0.002,628 -0.127,629 -0.064,630 0.095,631 -0.002,632 0.114,633 -0.014,634 0.08,635 0.034,636 0.145,637 0.096,638 -0.073,639 -0.063,640 0.048,641 -0.088,642 2.69,643 6.647,644 0.794,645 37.311,646 1.033,647 1.121,648 4.358,649 18.992,650 0.735,651 3.664,652 4.025,653 4.331,654 4.635,655 4.934,656 5.1,657 5.283,658 5.468,659 5.628,660 5.79,661 7.157,662 0.731,663 476.89,664 3.664,665 5.231,666 6.103,667 7.002,668 7.892,669 8.798,670 9.697,671 10.606,672 11.51,673 12.421,674 8.2,682 1,683 1,684 2,690 11,691 2,695 11,697 24,700 1,706 1,709 1,715 3,716 49,718 26,719 3,720 38,722 53,723 25,724 22,725 8,726 10,727 2,728 5,729 8,730 1,740 24,741 1,744 2,749 1,752 1,753 2,758 2,760 15,761 8,762 2,763 9,764 1,769 4,775 0.6,776 2,788 1,794 4,795 1,799 2,817 1,819 3,824 1,825 2,827 34,832 1,833 1,834 1,849 3,850 4.1,852 1,853 1,858 17.333,859 9.062,860 7.306,861 2.788,863 4.626,864 1.539,865 1.023,866 5.724,867 13.208,868 3.97,869 4.625,870 5.239,871 5.854,872 6.456,873 6.788,874 7.244,875 7.716,876 8.176,877 8.639,878 1,879 63,880 12.643,881 5.702,882 8.141,883 23.015,884 19.144,885 2.641,886 89.778,890 153.024,891 154.665,892 68.367,893 39.149,894 67.828,895 29.92,897 154.665,898 260.001,899 98.288,901 2.106,902 94.762,903 116.837,904 87.028,905 31.819,906 141.253,907 39.149,908 153.024,909 223.033,910 97.748,911 39.149,913 182.945,914 67.828,917 50.605,918 138.856,919 72.72,921 182.945,922 136.196,923 193.814,926 153.024,927 50.855,928 103.81,929 18.011,930 187.254,931 153.024,932 166.116,933 193.814,935 0.592,936 0.349,937 0.191,938 0.109,939 28,940 13,941 0.075,942 4,943 2,944 1.148,945 4.306,946 341.506,947 0.148,948 27,949 162.974,954 21.998,955 8.847,956 4.261,958 166.116,959 16.41,960 8.955,964 1.983,966 60.694,967 512.954,968 52,973 11.063,976 4.501,977 -0.88,980 50.596,981 54.942,983 0.321,984 0.683,985 0.826,986 0.925,987 0.935,988 0.935,989 5.22,990 1.988,991 6.107,992 5.881,993 4.71,994 5.313,995 1.904,996 6.956,997 4.624,998 6.458,999 1.879,1000 7.69,1001 5.772,1002 4.369,1003 5.156,1005 7.932,1006 4.221,1007 7.784,1008 1.355,1009 9.373,1010 5.104,1011 6.34,1012 7.544,1013 2.339,1014 11.06,1015 6.196,1016 9.144,1017 1.247,1018 11.113,1019 3.529,1020 6.792,1021 8.163,1023 12.879,1024 6.607,1025 10.531,1026 1.104,1027 12.893,1028 2.955,1029 8.254,1030 10.038,1031 2.95,1032 15.545,1033 8.066,1034 11.94,1035 1.084,1036 14.7,1037 2.874,1038 9.075,1039 11.036,1041 17.725,1042 8.858,1043 13.366,1044 1,1045 16.527,1046 2.665,1047 10.339,1048 12.684,1049 3.627,1050 20.24,1051 10.111,1052 3.296,1053 0.538,1054 18.372,1055 2.275,1056 11.338,1057 13.884,1059 22.576,1060 11.087,1061 3.002,1062 11.854,1063 20.23,1064 1.345,1065 12.527,1066 15.421,1067 4.332,1068 25.043,1069 12.26,1070 2.797,1071 10.436,1072 22.099,1073 4.341,1074 13.611,1075 16.731,1077 27.446,1078 13.322,1079 2.637,1080 8.375,1081 23.977,1082 4.046,1083 14.776,1084 18.215,1085 5.048,1086 29.901,1087 14.469,1088 2.433,1089 8.223,1090 25.863,1091 3.769,1092 15.902,1093 19.585,1095 32.334,1096 15.574,1097 2.159,1098 7.402,1099 27.756,1100 3.635,1101 17.063,1102 21.046,1103 5.769,1104 34.789,1105 16.715,1106 2.012,1107 6.067,1108 29.654,1109 3.106,1110 18.21,1111 22.449,1113 37.236,1114 17.841,1115 15175,1116 29191,1117 25.372,1118 35.995,1119 58.124,1120 59.491,1121 59.757,1122 57.645,1123 57.351,1124 77.67,1125 5.263,1126 170.248,1127 54.576,1128 5.451,1129 5.576,1130 6.523,1131 5.346,1132 5.296,1133 7.341,1134 2.873,1135 19.521,1136 5.224,1137 17.759,1138 1.53,1139 1.566,1140 1.573,1141 1.517,1142 1.509,1143 2.044,1144 0.139,1145 4.48,1146 1.436,1147 4.08,1148 4.108,1149 4.095,1150 4.006,1151 8.21,1152 4.012,1153 3.928,1154 3.954,1155 3.891,1156 3.852,1157 8.191,1158 3.854,1159 3.866,1160 3.89,1161 3.868,1162 3.789,1163 7.475,1164 3.794,1165 3.703,1166 3.738,1167 3.767,1168 3.593,1169 6.351,1170 3.601,1171 3.376,1172 3.428,1173 3.386,1174 3.174,1175 5.051,1176 3.2,1177 3.263,1178 3.276,1179 3.243,1180 3.052,1181 4.889,1182 3.086,1183 2.988,1184 3.035,1185 3.156,1186 2.825,1187 4.689,1188 2.822,1189 2.937,1190 2.985,1191 2.913,1192 2.796,1193 4.608,1194 2.807,1195 0.122,1196 0.094,1197 0.184,1198 0.112,1199 0.087,1200 4.647,1201 0.114,1202 3.576,1203 0.038,1204 6.978,1205 0.312,1206 4.274,1207 0.085,1208 3.296,1209 4.341,1210 1.437,1211 11.854,1212 3.224,1213 1.969,1214 1.953,1215 2.023,1216 2.054,1217 1.18,1218 2.046,1219 1.91,1220 1.886,1221 2,1222 2.018,1223 1.091,1224 2.011,1225 1.856,1226 1.833,1227 1.937,1228 1.954,1229 1.059,1230 1.951,1231 1.699,1232 1.663,1233 1.8,1234 1.829,1235 0.927,1236 1.828,1237 1.284,1238 1.234,1239 1.423,1240 1.527,1241 0.459,1242 1.498,1243 1.146,1244 1.133,1245 1.253,1246 1.4,1247 0.323,1248 1.348,1249 0.931,1250 0.886,1251 1.181,1252 1.157,1253 0.225,1254 1.152,1255 0.886,1256 0.829,1257 1.148,1258 1.074,1259 0.218,1260 1.107,1261 4.344,1263 5.694,1265 7.238,1266 2.708,1267 8.872,1268 5.38,1269 10.554,1272 6.234,1273 29.294,1276 9.063,1277 0.109,1278 3.045,1289 35.797,1290 88.421,1291 187.848,1292 227.147,1293 254.366,1294 257.121,1295 257.121,1296 77.827,1297 8.582,1298 87.47,1299 87.47,1300 31,1301 12.937,1302 4.755,1303 3.907,1304 49.916,1305 144,1306 172,1307 0.17,1308 218.527,1309 387.63,1310 524.967,1311 68153,1312 6.1,1313 23.819,1314 0.701,1315 0.534,1316 22.579,1317 18.145,1318 16.402,1319 0.432,1320 0.277,1321 10.043,1322 15.476,1323 9.855,1324 8.084,1325 15.869,1326 10.537,1327 15.313,1328 0.278,1329 0.145,1330 14.657,1331 7.963,1332 12.973,1333 0.173,1334 0.074,1335 12.363,1336 5.587,1337 11.14,1338 0.109,1339 0.038,1340 10.478,1341 3.919,1342 9.422,1343 0.068,1344 0.021,1345 9.236,1346 2.837,1347 0.264,1348 106.198,1349 0.199,1350 31.06,1351 0.474,1352 186,1353 697.579,1354 221.325,1355 657.844,1356 870.54,1357 610,1358 223,1359 605.844,1360 251.391,1361 613.703,1362 905.2,1363 578,1364 6.252}
{0 CHEMBL261849,1 1.588,2 12.778,3 3.127,4 9.779,5 106.122,6 7.479,7 0.621,8 3.994,9 4.11,10 3.552,11 3.474,12 5.177,13 3.477,14 4.473,15 4.635,16 3.859,17 3.811,18 5.61,19 3.797,20 4.61,21 4.764,22 3.924,23 3.939,24 5.724,25 3.903,26 4.754,27 4.963,28 3.786,29 3.943,30 5.791,31 3.858,32 4.764,33 5.007,34 3.693,35 3.901,36 5.695,37 3.8,38 4.633,39 4.857,40 3.695,41 3.83,42 5.638,43 3.746,44 4.618,45 4.854,46 3.676,47 3.765,48 5.626,49 3.681,50 4.53,51 4.751,52 3.531,53 3.647,54 5.563,55 3.56,56 0.069,57 0.705,58 10.086,59 4.218,60 12.468,61 5.389,62 0.345,63 1.035,64 18.562,65 7.05,66 31.217,67 8.841,68 0.307,69 1.2,70 20.517,71 7.862,72 27.304,73 10.287,74 0.384,75 1.288,76 25.704,77 9.14,78 45.5,79 12.349,80 0.426,81 1.239,82 27.512,83 9.309,84 43.763,85 12.999,86 0.384,87 1.141,88 23.149,89 8.032,90 36.626,91 11.286,92 0.387,93 1.072,94 23.357,95 8.165,96 37.643,97 11.531,98 0.442,99 0.961,100 21.488,101 7.238,102 39.423,103 9.947,104 21,105 39,106 0.269,107 0.587,108 0.734,109 0.816,110 0.842,111 0.862,112 3.339,113 0.867,114 -3.7,115 -3.67,116 -3.49,118 40.8,120 1,123 2,124 1,138 7,139 3,140 3,141 1,143 1,146 1,158 2,159 2,160 2,167 9,170 1,171 7,172 3,173 3,175 1,178 9,180 1,181 1,182 10,186 1,188 6,190 1,192 8,194 1,195 1,196 1,197 2,198 2,199 2,201 2,202 1,204 7,208 3,211 4,213 3,214 1,215 5,220 2,223 7,225 2,227 2,228 2,230 1,231 1,233 2,235 7,237 2,239 2,240 1,242 1,243 1,245 1,247 5,249 1,251 1,252 2,254 1,255 1,260 4,264 1177,265 18.342,266 18.342,267 18.342,268 18.342,269 18.342,270 16.066,271 26.546,272 10.789,273 18.986,274 14.17,275 14.17,276 14.17,277 14.17,278 14.17,279 10.706,280 34.768,281 4.976,282 15.025,283 4.027,284 2.146,285 1.279,286 0.796,287 0.643,288 0.521,289 4.022,292 1,293 1,294 1,295 729,296 3,300 299.479,307 2.173,308 22.907,310 1,311 1,312 1,313 1,314 0.6,315 0.5,316 1,317 1,318 0.87,319 59,320 345,321 4.308,322 3.258,323 6.188,324 3.914,325 2.951,326 3.955,327 1.151,328 9.236,329 2.848,330 4.199,331 3.074,332 6.074,333 3.771,334 2.825,335 3.841,336 0.86,337 8.785,338 2.669,339 4.031,340 2.904,341 5.48,342 3.614,343 2.641,344 3.633,345 0.86,346 7.336,347 2.572,348 3.6,349 2.65,350 5.25,351 3.235,352 2.288,353 2.928,354 0.68,355 6.652,356 2.16,357 3.472,358 2.507,359 5.104,360 3.116,361 2.17,362 2.76,364 6.253,365 2.042,366 3.357,367 2.168,368 4.915,369 2.935,370 1.993,371 2.655,373 5.633,374 1.866,375 2.919,376 2.109,377 4.388,378 2.519,379 1.604,380 2.058,382 4.222,383 1.46,384 2.823,385 1.567,386 4.125,387 2.351,388 1.417,389 1.952,391 3.648,392 1.319,393 2.5,394 1.311,395 3.414,396 2,397 1,398 1.5,400 2.275,401 1,402 2.083,403 1.014,404 3.319,405 1.783,406 0.876,407 1.022,409 1.972,410 0.785,411 1.737,412 1,413 3.057,414 1.45,415 0.562,416 0.639,417 1.036,418 0.493,419 1.61,420 0.936,421 2.871,422 1.318,423 0.415,424 0.473,425 0.799,426 0.369,427 1.509,428 0.656,429 2.654,430 1.224,431 0.336,432 0.388,433 0.568,434 0.299,435 1.098,436 0.255,437 2.39,438 0.773,439 -0.16,440 -0.19,441 -0.33,442 -0.147,443 0.802,444 -0.133,445 2.358,446 0.433,447 -0.506,448 -0.615,449 -1.081,450 -0.464,451 12.6,452 0.467,453 0.588,454 0.022,455 38,456 1.407,457 20.5,458 0.759,459 17.5,460 0.648,461 18.751,462 0.694,463 29.4,464 0.6,465 28.244,466 1.046,467 7.932,468 0.294,469 5.152,470 0.191,471 0.143,473 0.317,478 0.994,479 1.249,480 0.814,481 1.105,482 1.167,483 0.943,484 1.252,485 0.802,486 0.86,487 0.848,488 0.833,489 0.809,490 1.065,491 1.268,492 1.058,493 1.233,494 0.911,495 1.158,496 1.114,497 1.057,498 1.162,499 1.178,500 1.069,501 1.182,502 1.095,503 0.914,504 1.002,505 0.926,506 1.012,507 0.951,508 0.873,509 1.021,510 0.978,511 1.024,512 0.923,513 1.017,514 0.761,515 0.957,516 0.824,517 1.001,518 0.638,519 0.944,520 1.102,521 1.002,522 1.04,523 1.047,524 0.96,525 1.052,526 6,527 0.144,528 2.889,529 1.25,530 1.529,531 0.764,532 0.505,533 0.438,534 0.271,535 0.172,536 9435,537 26932,538 2.035,539 44.9,540 2,541 15,543 1,544 4,549 1.697,550 1.906,551 3.607,552 1.698,553 1,554 1,558 77.82,559 1.588,560 3.469,561 4.336,562 4.818,563 4.972,564 5.094,565 3.115,566 4.403,567 4.722,568 3.779,569 1326.57,570 8.178,571 17729,573 1,575 1,576 275.121,577 1.399,578 4.685,579 0.207,580 0.008,581 0.074,582 0.031,583 0.046,584 0.025,585 0.016,586 0.015,587 0.011,588 0.009,589 0.442,590 0.17,591 1,592 0.862,593 136.523,594 -0.098,595 -0.053,596 0.034,597 -0.038,598 -0.21,599 0.022,600 -0.056,601 0.259,602 0.084,603 0.18,604 0.093,605 0.151,606 -0.036,607 -0.181,608 -0.151,609 -0.197,610 -0.046,611 -0.192,612 -0.115,613 -0.055,614 -0.205,615 -0.181,616 -0.108,617 -0.206,618 -0.127,619 0.011,620 -0.011,621 0.069,622 -0.108,623 0.052,624 0.02,625 -0.035,626 -0.018,627 -0.026,628 -0.025,629 -0.024,630 0.162,631 -0.024,632 0.159,633 0.001,634 0.221,635 0.064,636 0.044,637 -0.072,638 -0.038,639 -0.059,640 0.031,641 -0.072,642 1.504,643 2.401,644 0.667,645 28.571,646 1.007,647 1.13,648 2.474,649 6.123,650 0.658,651 3.401,652 3.689,653 3.912,654 4.094,655 4.317,656 4.29,657 4.331,658 4.431,659 4.543,660 4.595,661 7.249,662 0.632,663 366.46,664 3.401,665 4.92,666 5.746,667 6.597,668 7.438,669 8.29,670 9.136,671 9.989,672 10.838,673 11.692,674 8.2,678 2,684 2,690 8,691 2,695 8,697 18,708 2,714 3,716 49,718 18,719 2,720 29,722 51,723 20,724 16,725 5,726 7,728 3,729 3,738 1,740 16,741 4,756 1,757 1,760 22,761 7,762 4,763 7,769 4,775 1,776 3,788 1,794 3,819 3,823 2,827 27,828 2,833 2,835 3,850 6.1,855 3,858 14.167,859 9.233,860 6.139,861 2.508,863 3.125,864 1.437,865 0.969,866 6.242,867 10.275,868 3.664,869 4.256,870 4.785,871 5.284,872 5.818,873 5.858,874 6.062,875 6.445,876 6.857,877 7.187,878 0.889,879 40,880 9.878,881 4.013,882 7.753,883 18.659,884 14.486,885 2.253,886 60.833,889 1,890 211.88,891 133.788,892 99.365,894 33,897 133.788,898 244.879,899 99.365,900 21.766,901 7.127,902 132.128,903 45.342,904 67.334,905 4.227,906 200.109,908 211.88,909 233.154,910 33,913 211.88,914 33,917 18.073,918 181.509,919 33.571,921 211.88,922 132.365,923 133.788,926 211.88,927 36.641,928 97.147,930 132.365,931 211.88,932 132.365,933 133.788,935 0.572,936 0.336,937 0.171,938 0.094,939 17,940 8,941 0.137,942 7,944 1,945 3.953,946 215.802,948 18,949 124.382,954 19.109,955 8.819,956 4.949,958 132.365,959 15.119,960 7.978,964 5.508,966 65.794,967 478.033,968 38,980 49.342,981 55.358,983 0.283,984 0.618,985 0.772,986 0.858,987 0.885,988 0.907,989 4.871,990 1.417,991 5.714,992 4.222,993 4.369,994 4.942,995 2.019,996 6.463,997 4.265,998 6.07,999 1,1000 7.239,1001 3.648,1002 3.892,1003 4.691,1005 7.235,1006 3.753,1007 7.365,1008 0.876,1009 8.856,1010 2.275,1011 5.916,1012 7.113,1013 1.963,1014 10.249,1015 5.73,1016 8.692,1017 0.562,1018 10.524,1019 1.972,1020 6.217,1021 7.614,1023 11.791,1024 5.986,1025 10.045,1026 0.415,1027 12.224,1028 1.036,1029 7.7,1030 9.521,1031 2.01,1032 14.312,1033 7.44,1034 11.415,1035 0.336,1036 13.945,1037 0.799,1038 8.369,1039 10.384,1041 16.195,1042 8.06,1043 12.799,1044 -0.16,1045 15.682,1046 0.568,1047 9.62,1048 12.053,1049 2.133,1050 18.531,1051 9.285,1052 2.951,1053 -0.506,1054 17.431,1055 -0.33,1056 10.478,1057 13.116,1059 20.577,1060 10.092,1061 2.825,1062 9.236,1063 19.19,1064 -1.081,1065 11.621,1066 14.656,1067 2.31,1068 22.836,1069 11.209,1070 2.641,1071 8.785,1072 20.957,1073 3.955,1074 12.576,1075 15.836,1077 24.962,1078 12.115,1079 2.288,1080 7.336,1081 22.73,1082 3.841,1083 13.67,1084 17.301,1085 2.523,1086 27.189,1087 13.18,1088 2.17,1089 6.652,1090 24.509,1091 3.633,1092 14.676,1093 18.55,1095 29.356,1096 14.14,1097 1.993,1098 6.253,1099 26.293,1100 2.928,1101 15.75,1102 19.971,1103 2.759,1104 31.57,1105 15.181,1106 1.604,1107 5.633,1108 28.081,1109 2.76,1110 16.782,1111 21.264,1113 33.756,1114 16.17,1115 9211,1116 15682,1117 19.186,1118 32.239,1119 42.226,1120 43.138,1121 43.819,1122 42.075,1123 42.158,1124 55.606,1125 7.102,1126 116.829,1127 39.765,1128 5.146,1129 5.258,1130 5.743,1131 4.983,1132 4.951,1133 6.955,1134 2.302,1135 15.607,1136 4.848,1137 13.949,1138 1.456,1139 1.488,1140 1.511,1141 1.451,1142 1.454,1143 1.917,1144 0.245,1145 4.029,1146 1.371,1147 3.998,1148 4.025,1149 3.948,1150 3.908,1151 5.291,1152 3.913,1153 3.901,1154 3.929,1155 3.844,1156 3.827,1157 4.98,1158 3.826,1159 3.8,1160 3.839,1161 3.762,1162 3.644,1163 4.938,1164 3.669,1165 3.344,1166 3.387,1167 3.23,1168 3.114,1169 4.84,1170 3.136,1171 3.281,1172 3.344,1173 3.129,1174 3.021,1175 4.487,1176 3.037,1177 3.176,1178 3.258,1179 3.007,1180 2.925,1181 4.459,1182 2.931,1183 3.073,1184 3.168,1185 2.9,1186 2.813,1187 4.347,1188 2.81,1189 2.966,1190 3.078,1191 2.787,1192 2.735,1193 4.186,1194 2.715,1195 0.149,1196 0.112,1197 0.213,1198 0.135,1199 0.102,1200 4.308,1201 0.136,1202 3.258,1203 0.04,1204 6.188,1205 0.318,1206 3.914,1207 0.098,1208 2.951,1209 3.955,1210 1.151,1211 9.236,1212 2.848,1213 1.94,1214 1.92,1215 2.039,1216 2.053,1217 1.209,1218 2.047,1219 1.889,1220 1.866,1221 2,1222 1.993,1223 1.132,1224 1.994,1225 1.725,1226 1.685,1227 1.81,1228 1.906,1229 0.866,1230 1.883,1231 1.27,1232 1.224,1233 1.586,1234 1.558,1235 0.629,1236 1.563,1237 1.216,1238 1.148,1239 1.573,1240 1.528,1241 0.573,1242 1.542,1243 1.132,1244 1.056,1245 1.418,1246 1.421,1247 0.528,1248 1.425,1249 1.034,1250 0.948,1251 1.337,1252 1.343,1253 0.374,1254 1.345,1255 0.892,1256 0.821,1257 1.225,1258 1.243,1259 0.218,1260 1.26,1261 4.078,1263 5.371,1265 6.86,1267 8.434,1269 10.048,1271 3.252,1275 11.445,1277 1,1279 16.531,1289 30.971,1290 77.82,1291 169.985,1292 212.45,1293 236.101,1294 243.611,1295 249.611,1296 40.872,1297 7.149,1298 105.51,1299 105.51,1300 18,1301 12.248,1302 4.248,1303 3.322,1304 47.231,1305 117,1306 127,1307 0.196,1308 193.256,1309 331.39,1310 463.306,1311 12254,1313 19.225,1314 0.712,1315 0.567,1316 19.225,1317 15.307,1318 13.084,1319 0.451,1320 0.289,1321 8.215,1322 12.442,1323 7.954,1324 6.669,1325 13.084,1326 8.383,1327 11.371,1328 0.292,1329 0.152,1330 11.371,1331 5.937,1332 9.507,1333 0.194,1334 0.084,1335 9.507,1336 4.093,1337 7.403,1338 0.125,1339 0.044,1340 7.403,1341 2.614,1342 5.978,1343 0.081,1344 0.024,1345 5.978,1346 1.782,1347 0.314,1348 83.083,1349 0.228,1350 26.462,1351 0.516,1352 136,1353 431.121,1354 151.35,1355 410.493,1356 559.5,1357 386,1358 156,1359 407.517,1360 171.074,1361 416.214,1362 597.93,1363 386,1364 5}
{0 CHEMBL271179,1 1.667,2 8.731,3 2.415,4 5.832,5 95.472,6 7.854,7 0.517,8 3.94,9 4.06,10 3.55,11 3.414,12 5.089,13 3.43,14 4.48,15 4.653,16 3.945,17 3.829,18 5.626,19 3.821,20 4.702,21 4.903,22 4.026,23 3.951,24 5.818,25 3.93,26 4.761,27 4.968,28 4.021,29 3.938,30 6.038,31 3.918,32 4.722,33 4.941,34 3.911,35 3.93,36 5.78,37 3.881,38 4.685,39 4.895,40 3.828,41 3.931,42 5.735,43 3.866,44 4.709,45 4.922,46 3.786,47 3.896,48 5.825,49 3.818,50 4.692,51 4.925,52 3.623,53 3.765,54 5.813,55 3.681,56 0.098,57 0.721,58 8.598,59 3.547,60 11.931,61 4.641,62 0.451,63 1.155,64 17.103,65 6.12,66 30.02,67 8.29,68 0.426,69 1.331,70 23.034,71 7.828,72 43.438,73 10.927,74 0.723,75 1.37,76 25.188,77 7.288,78 89.357,79 10.342,80 0.559,81 1.329,82 24.139,83 7.514,84 39.108,85 10.84,86 0.433,87 1.274,88 22.728,89 7.784,90 39.776,91 10.831,92 0.455,93 1.23,94 23.803,95 8.391,96 50.343,97 11.597,98 0.487,99 1.111,100 25.112,101 8.058,102 64.286,103 11.115,104 21,105 42,106 0.285,107 0.669,108 0.806,109 0.85,110 0.861,111 0.861,112 3.306,113 0.878,114 -3.52,115 -3.5,116 -3.34,118 40,120 2,123 1,124 2,138 5,139 1,143 1,147 1,148 2,153 1,154 1,157 1,167 7,170 5,171 2,173 3,175 1,178 6,181 2,182 4,184 1,186 1,188 3,191 5,192 7,195 1,199 1,203 2,204 7,206 2,211 3,214 1,215 6,220 1,223 4,228 7,231 2,233 4,235 3,240 7,245 5,247 1,252 5,255 1,257 3,264 958,265 17.767,266 17.767,267 17.767,268 17.767,269 17.767,270 15.861,271 16.201,272 10.543,273 18.154,274 14.287,275 14.287,276 14.287,277 14.287,278 14.287,279 11.157,280 15.999,281 4.98,282 14.936,283 3.825,284 1.582,285 0.78,286 0.522,287 0.461,288 0.461,289 4.001,292 1,293 1,294 1,295 490,296 3,299 84.024,300 127.068,302 69.128,303 83.336,306 112.935,307 1.311,308 29.843,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 57.5,320 227,321 4.831,322 3.857,323 7.135,324 4.366,325 3.432,326 4.797,327 1.713,328 12.457,329 3.212,330 4.327,331 3.432,332 6.653,333 3.981,334 3.025,335 3.858,336 1.001,337 10.641,338 2.895,339 3.908,340 3.252,341 6.062,342 3.515,343 2.554,344 3.371,345 0.514,346 8.455,347 2.442,348 3.653,349 2.785,350 5.75,351 3.287,352 2.315,353 2.924,355 7.496,356 2.239,357 3.409,358 2.412,359 5.183,360 3.007,361 2.039,362 2.669,364 6.04,365 1.959,366 3.075,367 2.073,368 5.018,369 2.716,370 1.742,371 2.282,373 5.144,374 1.692,375 3.062,376 1.806,377 4.546,378 2.611,379 1.636,380 2.22,382 4.347,383 1.589,384 2.693,385 1.663,386 3.925,387 2.443,388 1.497,389 1.722,391 3.287,392 1.406,393 2.561,394 1.289,395 3.557,396 2.11,397 1.152,398 1.575,400 2.747,401 1.1,402 2.5,403 1.226,404 3.472,405 2,406 1,407 1.5,409 2.136,410 1,411 2.08,412 1,413 3.345,414 1.778,415 0.828,416 0.974,417 1.904,418 0.78,419 1.89,420 0.95,421 3.247,422 1.49,423 0.513,424 0.641,425 1.226,426 0.493,427 1.633,428 0.835,429 2.948,430 1.326,431 0.381,432 0.469,433 0.819,434 0.358,435 1,436 0.599,437 2.64,438 0.673,439 -0.255,440 -0.288,441 -0.521,442 -0.234,443 0.938,444 -0.031,445 2.475,446 0.511,447 -0.543,448 -0.683,449 -1.249,450 -0.546,451 12,452 0.462,453 0.645,454 0.025,455 34,456 1.308,457 15.5,458 0.596,459 18.5,460 0.712,461 20.499,462 0.788,463 28.2,464 0.627,465 26.346,466 1.013,467 6.754,468 0.26,469 5.86,470 0.225,471 0.125,473 0.392,478 0.826,479 1.595,480 0.735,481 1.154,482 0.643,483 0.957,484 0.631,485 0.951,486 0.782,487 0.881,488 0.585,489 0.864,490 0.828,491 1.189,492 0.781,493 1.005,494 0.817,495 0.904,496 0.987,497 1.013,498 0.985,499 0.893,500 0.88,501 0.917,502 0.825,503 1.002,504 0.99,505 0.94,506 0.679,507 0.975,508 0.888,509 1.028,510 1.083,511 1.061,512 0.766,513 1.091,514 0.855,515 1.085,516 1.072,517 1.203,518 0.856,519 1.187,520 1.163,521 1.007,522 1.118,523 1.12,524 1.196,525 1.114,526 4,527 0.086,528 3.111,529 2.486,530 1.937,531 1.15,532 0.69,533 0.511,534 0.326,535 0.207,536 7038,537 20722,538 2.101,539 42.2,541 12,542 1,544 2,546 4,549 1.699,550 1.95,551 3.103,552 0.327,553 1,554 1,556 1,558 75,559 1.667,560 3.91,561 4.711,562 4.969,563 5.031,564 5.031,565 2.484,566 4.547,567 4.665,568 3.265,569 1061.05,570 8.135,571 12780.1,573 1,575 1,576 247.133,577 1.46,578 4.624,579 0.138,580 0.009,581 0.074,582 0.055,583 0.045,584 0.029,585 0.019,586 0.015,587 0.012,588 0.011,589 0.408,590 0.33,591 1,592 1.319,593 124.015,594 -0.101,595 -0.366,596 0.046,597 -0.105,598 -0.07,599 -0.02,600 0.187,601 0.214,602 0.088,603 0.1,604 0.04,605 0.065,606 0.023,607 -0.146,608 0.146,609 -0.008,610 -0.016,611 0.073,612 0.046,613 0.05,614 -0.024,615 0.035,616 0.101,618 0.001,619 0.055,620 -0.05,621 0.018,622 -0.011,623 -0.017,624 -0.11,625 0.019,626 -0.168,627 -0.063,628 -0.061,629 -0.109,630 -0.01,631 -0.098,632 -0.132,633 -0.19,634 -0.01,635 -0.184,636 -0.149,637 -0.099,638 -0.112,639 -0.13,640 -0.099,641 -0.111,642 2.154,643 5.372,644 0.692,645 22.846,646 1.015,647 1.134,648 2.292,649 5.253,650 0.66,651 3.401,652 3.761,653 4.127,654 4.489,655 4.779,656 5.017,657 5.242,658 5.403,659 5.505,660 5.517,661 5.46,662 0.643,663 353.42,664 3.401,665 4.963,666 5.855,667 6.774,668 7.698,669 8.634,670 9.572,671 10.518,672 11.463,673 12.413,674 11.1,681 2,682 2,684 1,689 1,690 6,691 1,695 4,696 1,697 15,716 45,718 17,719 1,720 29,722 48,723 18,724 11,725 1,726 5,727 1,728 4,729 7,731 1,732 1,738 2,740 13,741 5,744 2,749 2,753 2,756 1,757 1,760 19,761 6,762 2,763 8,766 2,769 5,772 1,775 0.5,776 3,777 1,793 2,794 2,796 1,797 1,800 1,817 1,819 2,823 1,827 26,832 1,833 4,834 1,838 1,850 6.7,851 1,853 2,858 13.333,859 8.333,860 5.75,861 2.707,863 2.958,864 1.382,865 0.988,866 4.364,867 10.7,868 3.676,869 4.311,870 4.992,871 5.697,872 6.26,873 6.788,874 7.316,875 7.695,876 8.084,877 8.347,878 0.833,879 45,880 9.639,881 4.22,882 7.929,883 18.133,884 15.1,885 2.429,886 63.167,889 1,890 200.109,891 93.294,892 41.106,894 92.973,897 93.294,898 293.082,899 41.106,900 8.396,901 28.31,902 99.112,903 71.78,904 7.658,905 23.888,906 188.338,908 200.109,909 134.4,910 92.973,913 153.024,914 97.374,915 42.683,917 32.782,918 84.832,919 16.786,921 200.109,922 134.079,923 93.294,926 200.109,927 28.469,928 71.135,929 18.011,930 109.759,931 200.109,932 134.079,933 93.294,935 0.58,936 0.352,937 0.201,938 0.117,939 22,940 10,941 0.104,942 5,943 2,944 1.222,945 3.663,946 235.567,947 0.222,948 18,949 118.211,954 16.972,955 6.685,956 2.779,957 0.6,958 130.894,959 11.733,960 4.568,964 2.641,965 2.023,966 60.694,967 427.482,968 38.5,973 24.233,977 -0.943,980 45.676,981 51.026,983 0.303,984 0.712,985 0.858,986 0.905,987 0.916,988 0.916,989 4.933,990 1.497,991 5.861,992 4.347,993 4.443,994 4.997,995 2.123,996 6.763,997 4.352,998 6.158,999 1.152,1000 7.473,1001 3.287,1002 4.111,1003 4.934,1004 1.305,1005 7.832,1006 3.96,1007 7.494,1008 1,1009 9.191,1010 2.747,1011 6.107,1012 7.28,1013 2.693,1014 11.03,1015 5.906,1016 8.873,1017 0.828,1018 10.973,1019 2.136,1020 6.648,1021 8.117,1022 2.473,1023 12.956,1024 6.373,1025 10.292,1026 0.513,1027 12.795,1028 1.904,1029 8.12,1030 9.947,1031 3.51,1032 15.68,1033 7.795,1034 11.74,1035 0.381,1036 14.643,1037 1.226,1038 9.046,1039 11.189,1040 3.63,1041 17.947,1042 8.644,1043 13.211,1044 -0.255,1045 16.512,1046 0.819,1047 10.336,1048 12.837,1049 4.453,1050 20.519,1051 9.878,1052 3.432,1053 -0.543,1054 18.395,1055 -0.521,1056 11.428,1057 14.259,1058 4.762,1059 22.926,1060 10.895,1061 3.025,1062 12.457,1063 20.29,1064 -1.249,1065 12.658,1066 15.845,1067 5.462,1068 25.449,1069 12.064,1070 2.554,1071 10.641,1072 22.194,1073 4.797,1074 13.82,1075 17.346,1076 5.873,1077 27.914,1078 13.153,1079 2.315,1080 8.455,1081 24.106,1082 3.858,1083 15.034,1084 18.912,1085 6.504,1086 30.424,1087 14.303,1088 2.039,1089 7.496,1090 26.024,1091 3.371,1092 16.227,1093 20.448,1094 6.97,1095 32.915,1096 15.425,1097 1.742,1098 6.04,1099 27.947,1100 2.924,1101 17.441,1102 22.01,1103 7.562,1104 35.424,1105 16.571,1106 1.636,1107 5.144,1108 29.875,1109 2.669,1110 18.648,1111 23.561,1112 8.059,1113 37.926,1114 17.709,1115 6845,1116 11888,1117 19.304,1118 29.722,1119 44.726,1120 46.573,1121 46.374,1122 44.248,1123 44.228,1124 58.002,1125 6.457,1126 133.394,1127 42.329,1128 5.777,1129 5.857,1130 7.043,1131 5.453,1132 5.432,1133 7.797,1134 3.02,1135 20.21,1136 5.212,1137 12.948,1138 1.542,1139 1.606,1140 1.599,1141 1.526,1142 1.525,1143 2,1144 0.223,1145 4.6,1146 1.46,1147 4.212,1148 4.265,1149 4.196,1150 4.029,1151 7.447,1152 4.063,1153 3.864,1154 3.897,1155 3.807,1156 3.774,1157 7.411,1158 3.78,1159 3.702,1160 3.759,1161 3.617,1162 3.526,1163 6.456,1164 3.529,1165 3.586,1166 3.644,1167 3.455,1168 3.358,1169 5.048,1170 3.385,1171 3.238,1172 3.307,1173 3.132,1174 2.982,1175 4.726,1176 3.001,1177 3.165,1178 3.236,1179 3.057,1180 2.872,1181 4.25,1182 2.902,1183 3.021,1184 3.066,1185 2.896,1186 2.853,1187 3.969,1188 2.861,1189 2.854,1190 2.925,1191 2.687,1192 2.735,1193 3.869,1194 2.715,1195 0.167,1196 0.133,1197 0.246,1198 0.151,1199 0.118,1200 4.831,1201 0.165,1202 3.857,1203 0.059,1204 7.135,1205 0.43,1206 4.366,1207 0.111,1208 3.432,1209 4.797,1210 1.713,1211 12.457,1212 3.212,1213 1.926,1214 1.897,1215 2.039,1216 2.029,1217 1.294,1218 2.031,1219 1.721,1220 1.679,1221 1.945,1222 1.96,1223 1.109,1224 1.925,1225 1.714,1226 1.655,1227 1.795,1228 1.903,1229 0.9,1230 1.902,1231 1.462,1232 1.395,1233 1.609,1234 1.735,1235 0.825,1236 1.702,1237 1.381,1238 1.326,1239 1.584,1240 1.606,1241 0.678,1242 1.601,1243 1.101,1244 1.024,1245 1.36,1246 1.406,1247 0.45,1248 1.403,1249 1.002,1250 0.926,1251 1.272,1252 1.286,1253 0.353,1254 1.29,1255 0.886,1256 0.838,1257 1.181,1258 1.123,1259 0.218,1260 1.107,1261 4.078,1263 5.425,1264 3.045,1265 6.978,1266 5.533,1267 8.637,1268 7.758,1269 10.358,1271 1.585,1276 9.099,1277 2.232,1278 2.329,1282 1.337,1289 28.939,1290 75,1291 175.96,1292 212.014,1293 223.624,1294 226.379,1295 226.379,1296 45.967,1297 7.742,1298 97.32,1299 97.32,1300 22,1301 12.904,1302 4.17,1303 3.392,1304 37.681,1305 84,1306 100,1307 0.228,1308 176.4,1309 298.07,1310 422.176,1311 21395,1313 18.259,1314 0.702,1315 0.552,1316 18.259,1317 14.345,1318 12.613,1319 0.435,1320 0.293,1321 8.324,1322 12.002,1323 8.177,1324 6.759,1325 12.613,1326 8.484,1327 11.311,1328 0.269,1329 0.148,1330 11.311,1331 6.235,1332 10.097,1333 0.166,1334 0.075,1335 10.097,1336 4.575,1337 8.832,1338 0.1,1339 0.037,1340 8.832,1341 3.244,1342 7.304,1343 0.062,1344 0.019,1345 7.304,1346 2.264,1347 0.342,1348 80.056,1349 0.228,1350 24.433,1351 0.677,1352 142,1353 444.534,1354 160.273,1355 423.598,1356 582.43,1357 396,1358 174,1359 436.422,1360 193.971,1361 437.314,1362 654.37,1363 412,1364 5.207}
{0 CHEMBL271967,1 1.61,2 8.4,3 3.641,4 13.254,5 93.544,6 7.669,7 0.536,8 3.908,9 4.034,10 3.51,11 3.405,12 5.017,13 3.409,14 4.456,15 4.642,16 3.915,17 3.818,18 5.562,19 3.8,20 4.667,21 4.872,22 3.997,23 3.936,24 5.759,25 3.908,26 4.728,27 4.938,28 3.992,29 3.922,30 5.991,31 3.896,32 4.687,33 4.911,34 3.876,35 3.915,36 5.71,37 3.86,38 4.651,39 4.861,40 3.77,41 3.917,42 5.68,43 3.839,44 4.676,45 4.905,46 3.65,47 3.875,48 5.69,49 3.77,50 4.635,51 4.884,52 3.465,53 3.728,54 5.667,55 3.606,56 0.041,57 0.711,58 8.581,59 3.499,60 5.872,61 4.751,62 0.389,63 1.145,64 17.2,65 6.077,66 22.245,67 8.528,68 0.309,69 1.312,70 22.392,71 7.679,72 29.671,73 10.869,74 0.622,75 1.356,76 24.598,77 7.147,78 79.244,79 10.291,80 0.419,81 1.314,82 23.453,83 7.34,84 28.948,85 10.711,86 0.343,87 1.255,88 22.108,89 7.68,90 34.097,91 10.751,92 0.302,93 1.216,94 23.493,95 8.291,96 39.614,97 11.637,98 0.352,99 1.077,100 23.982,101 8.036,102 51.593,103 11.318,104 20,105 41,106 0.277,107 0.641,108 0.79,109 0.835,110 0.846,111 0.846,112 3.269,113 0.897,114 -4.27,115 -4.21,116 -3.97,118 40.9,119 1,120 2,123 1,124 1,138 5,139 1,143 1,147 1,148 2,153 1,154 1,157 1,167 8,170 5,171 2,173 3,178 7,181 2,182 4,184 1,188 3,191 5,192 8,195 1,199 1,203 2,204 7,206 1,211 3,214 1,215 8,220 1,223 5,228 7,233 3,235 5,240 8,245 3,247 3,252 6,257 2,260 1,264 799,265 17.06,266 17.06,267 17.06,268 17.06,269 17.06,270 15.154,271 15.122,272 10.043,273 17.409,274 13.787,275 13.787,276 13.787,277 13.787,278 13.787,279 10.657,280 15.999,281 4.726,282 14.371,283 3.85,284 1.73,285 0.861,286 0.597,287 0.534,288 0.534,289 3.963,292 1,293 1,294 1,295 455,296 2.828,299 78.894,300 120.957,302 64.873,303 78.38,306 106.137,307 1.344,308 24.293,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 54.5,320 210,321 4.831,322 3.857,323 7.135,324 4.366,325 3.432,326 4.797,327 1.713,328 12.457,329 3.212,330 4.326,331 3.432,332 6.653,333 3.981,334 3.025,335 3.858,336 1.001,337 10.641,338 2.895,339 3.908,340 3.252,341 6.062,342 3.515,343 2.554,344 3.371,345 0.514,346 8.455,347 2.442,348 3.653,349 2.785,350 5.75,351 3.287,352 2.315,353 2.924,355 7.496,356 2.239,357 3.408,358 2.411,359 5.183,360 3.005,361 2.037,362 2.669,364 6.04,365 1.957,366 3.075,367 2.06,368 5.018,369 2.666,370 1.693,371 2.282,373 5.14,374 1.645,375 3.059,376 1.678,377 4.546,378 2.61,379 1.636,380 2.218,382 4.347,383 1.585,384 2.644,385 1.491,386 3.91,387 2.346,388 1.383,389 1.686,391 3.105,392 1.324,393 2.5,394 1.228,395 3.491,396 2.084,397 1.115,398 1.5,400 2.551,401 1.078,402 2.466,403 1.092,404 3.38,405 2,406 1,407 1.455,409 2.136,410 1,411 1.972,412 1,413 3.343,414 1.599,415 0.642,416 0.798,417 1.597,418 0.611,419 1.883,420 0.855,421 3.247,422 1.489,423 0.496,424 0.634,425 1.189,426 0.486,427 1.277,428 0.706,429 2.803,430 1.06,431 0.092,432 0.106,433 0.172,434 0.088,435 1,436 0.154,437 2.533,438 0.546,439 -0.457,440 -0.542,441 -1.093,442 -0.443,443 0.809,444 -0.361,445 2.404,446 0.451,447 -0.58,448 -0.804,449 -1.337,450 -0.597,451 11.667,452 0.467,453 0.645,454 0.026,455 33.25,456 1.33,457 15.5,458 0.62,459 17.75,460 0.71,461 19.785,462 0.791,463 26.733,464 0.608,465 24.791,466 0.992,467 6.415,468 0.257,469 5.698,470 0.228,471 0.143,473 0.403,478 0.743,479 1.608,480 0.731,481 1.176,482 0.525,483 0.979,484 0.516,485 0.93,486 0.728,487 0.86,488 0.467,489 0.831,490 0.83,491 1.192,492 0.756,493 1.005,494 0.826,495 0.89,496 1.035,497 1.013,498 0.973,499 0.891,500 0.912,501 0.903,502 0.891,503 1.002,504 0.984,505 0.936,506 0.666,507 0.952,508 0.981,509 1.042,510 1.144,511 1.086,512 0.849,513 1.126,514 0.974,515 1.06,516 1.155,517 1.182,518 0.914,519 1.196,520 1.125,521 0.994,522 1.133,523 1.119,524 1.231,525 1.135,526 4,527 0.037,528 3.111,529 2.486,530 1.937,531 1.15,532 0.69,533 0.471,534 0.294,535 0.157,536 6271,537 16583,538 2.105,539 43.2,540 5,541 10,542 1,544 1,546 2,549 1.689,550 1.948,551 3.053,552 -0.277,554 1,556 1,558 70.836,559 1.61,560 3.729,561 4.599,562 4.863,563 4.925,564 4.925,565 2.519,566 4.214,567 4.611,568 3.201,569 960.156,570 8.023,571 11127.5,573 1,575 1,576 240.215,577 1.473,578 4.565,579 0.143,580 0.007,581 0.076,582 0.057,583 0.046,584 0.03,585 0.02,586 0.016,587 0.013,588 0.01,589 0.419,590 0.17,591 1,592 1.166,593 117.148,594 -0.048,595 -0.39,596 0.069,597 -0.144,598 -0.036,599 -0.04,600 0.322,601 0.22,602 0.166,603 0.109,604 0.111,605 0.1,606 0.082,607 -0.152,608 0.182,609 -0.018,610 0.02,611 0.077,612 0.127,613 0.052,614 0.004,615 0.028,616 0.181,617 0.003,618 -0.01,619 0.054,620 -0.036,621 0.013,622 0.01,623 -0.005,624 -0.13,625 -0.001,626 -0.221,627 -0.094,628 -0.076,629 -0.156,630 -0.132,631 -0.086,632 -0.207,633 -0.177,634 -0.066,635 -0.196,636 -0.13,637 -0.103,638 -0.128,639 -0.121,640 -0.105,641 -0.124,642 2.123,643 5.359,644 0.72,645 20.682,646 1.008,647 1.132,648 3.04,649 9.243,650 0.665,651 3.367,652 3.738,653 4.111,654 4.477,655 4.771,656 5.004,657 5.22,658 5.375,659 5.468,660 5.46,661 5.216,662 0.641,663 337.42,664 3.367,665 4.934,666 5.832,667 6.756,668 7.683,669 8.622,670 9.562,671 10.51,672 11.456,673 12.407,674 11.4,681 2,682 2,684 1,689 1,690 6,691 1,695 4,696 1,697 15,716 44,718 17,719 1,720 28,722 47,723 18,724 11,725 1,726 5,727 1,728 4,729 7,731 1,732 1,738 2,740 13,741 5,744 2,749 2,753 2,756 1,757 1,760 19,761 5,762 1,763 7,766 2,769 5,772 1,775 0.5,776 2,793 2,794 2,796 1,797 1,800 1,819 2,823 2,827 25,833 3,834 1,838 1,850 4.5,853 2,858 12.833,859 8.633,860 5.5,861 2.857,863 2.97,864 1.387,865 1.017,866 3.942,867 10.649,868 3.651,869 4.297,870 4.985,871 5.693,872 6.258,873 6.784,874 7.31,875 7.687,876 8.072,877 8.329,878 0.833,879 44,880 9.27,881 4.043,882 7.807,883 17.616,884 14.677,885 2.307,886 57.667,889 1,890 211.88,891 102.119,892 41.106,894 50.29,897 102.119,898 262.17,899 41.106,900 17.222,901 28.31,902 56.429,903 71.78,904 7.658,905 23.888,906 200.109,908 211.88,909 143.225,910 50.29,913 188.338,914 73.832,917 41.607,918 84.832,919 16.786,921 211.88,922 91.396,923 102.119,926 211.88,927 28.469,928 79.96,929 18.011,930 67.075,931 211.88,932 91.396,933 102.119,935 0.583,936 0.357,937 0.207,938 0.123,939 22,940 10,941 0.085,942 4,943 2,944 1.222,945 3.559,946 225.49,947 0.222,948 18,949 112.096,954 16.062,955 6.136,956 2.493,957 0.675,958 88.21,959 11.964,960 4.604,964 2.864,965 2.114,966 18.011,967 405.395,968 37.5,973 24.208,977 -0.875,980 44.349,981 49.817,983 0.295,984 0.683,985 0.842,986 0.891,987 0.902,988 0.902,989 4.911,990 1.383,991 5.844,992 4.347,993 4.419,994 4.984,995 2.123,996 6.753,997 4.331,998 6.143,999 1.115,1000 7.461,1001 3.105,1002 4.111,1003 4.934,1004 1.305,1005 7.832,1006 3.96,1007 7.483,1008 1,1009 9.184,1010 2.551,1011 6.094,1012 7.276,1013 2.693,1014 11.028,1015 5.894,1016 8.866,1017 0.642,1018 10.969,1019 2.136,1020 6.648,1021 8.117,1022 2.473,1023 12.956,1024 6.373,1025 10.288,1026 0.496,1027 12.792,1028 1.597,1029 8.114,1030 9.946,1031 3.51,1032 15.68,1033 7.789,1034 11.737,1035 0.092,1036 14.642,1037 1.189,1038 9.046,1039 11.189,1040 3.63,1041 17.947,1042 8.644,1043 13.209,1044 -0.457,1045 16.511,1046 0.172,1047 10.333,1048 12.837,1049 4.453,1050 20.519,1051 9.875,1052 3.432,1053 -0.58,1054 18.395,1055 -1.093,1056 11.428,1057 14.259,1058 4.762,1059 22.926,1060 10.895,1061 3.025,1062 12.457,1063 20.29,1064 -1.337,1065 12.657,1066 15.845,1067 5.462,1068 25.449,1069 12.063,1070 2.554,1071 10.641,1072 22.194,1073 4.797,1074 13.82,1075 17.346,1076 5.873,1077 27.914,1078 13.153,1079 2.315,1080 8.455,1081 24.106,1082 3.858,1083 15.034,1084 18.912,1085 6.504,1086 30.424,1087 14.302,1088 2.037,1089 7.496,1090 26.024,1091 3.371,1092 16.227,1093 20.448,1094 6.97,1095 32.915,1096 15.425,1097 1.693,1098 6.04,1099 27.947,1100 2.924,1101 17.441,1102 22.01,1103 7.562,1104 35.424,1105 16.571,1106 1.636,1107 5.14,1108 29.875,1109 2.669,1110 18.648,1111 23.561,1112 8.059,1113 37.926,1114 17.709,1115 6086,1116 10092,1117 18.611,1118 29.267,1119 43.31,1120 45.01,1121 45.152,1122 42.854,1123 42.839,1124 56.598,1125 6.457,1126 130.653,1127 41.123,1128 5.777,1129 5.857,1130 6.994,1131 5.453,1132 5.432,1133 7.797,1134 3.02,1135 20.21,1136 5.212,1137 12.507,1138 1.547,1139 1.608,1140 1.613,1141 1.53,1142 1.53,1143 2.021,1144 0.231,1145 4.666,1146 1.469,1147 4.212,1148 4.265,1149 4.196,1150 4.029,1151 7.447,1152 4.063,1153 3.864,1154 3.897,1155 3.807,1156 3.774,1157 7.411,1158 3.78,1159 3.697,1160 3.758,1161 3.615,1162 3.527,1163 5.048,1164 3.526,1165 3.575,1166 3.642,1167 3.423,1168 3.359,1169 4.726,1170 3.38,1171 3.229,1172 3.302,1173 3.123,1174 2.981,1175 4.259,1176 2.996,1177 3.141,1178 3.225,1179 3.04,1180 2.867,1181 4.114,1182 2.899,1183 3.005,1184 3.061,1185 2.828,1186 2.853,1187 3.875,1188 2.842,1189 2.854,1190 2.925,1191 2.687,1192 2.735,1193 3.748,1194 2.715,1195 0.173,1196 0.138,1197 0.255,1198 0.156,1199 0.123,1200 4.831,1201 0.171,1202 3.857,1203 0.061,1204 7.135,1205 0.445,1206 4.366,1207 0.115,1208 3.432,1209 4.797,1210 1.713,1211 12.457,1212 3.212,1213 1.926,1214 1.897,1215 2.041,1216 2.029,1217 1.287,1218 2.031,1219 1.725,1220 1.679,1221 1.966,1222 1.96,1223 1.108,1224 1.929,1225 1.716,1226 1.656,1227 1.795,1228 1.902,1229 0.9,1230 1.903,1231 1.467,1232 1.394,1233 1.645,1234 1.731,1235 0.825,1236 1.707,1237 1.386,1238 1.326,1239 1.587,1240 1.599,1241 0.678,1242 1.605,1243 1.102,1244 1.023,1245 1.361,1246 1.406,1247 0.463,1248 1.403,1249 1.008,1250 0.915,1251 1.296,1252 1.257,1253 0.356,1254 1.286,1255 0.886,1256 0.838,1257 1.181,1258 1.12,1259 0.218,1260 1.107,1261 4.043,1263 5.398,1264 3.045,1265 6.959,1266 5.533,1267 8.624,1268 7.758,1269 10.35,1271 3.751,1277 2.854,1278 2.353,1282 1.371,1289 28.224,1290 70.836,1291 164.076,1292 202.341,1293 213.95,1294 216.705,1295 216.705,1296 39.938,1297 7.679,1298 77.09,1299 77.09,1300 22,1301 12.897,1302 4.17,1303 3.392,1304 35.583,1305 79,1306 80,1307 0.235,1308 172.404,1309 289.28,1310 412.425,1311 19682,1313 17.552,1314 0.702,1315 0.568,1316 17.552,1317 14.191,1318 12.113,1319 0.433,1320 0.299,1321 8.237,1322 11.591,1323 8.036,1324 6.71,1325 12.113,1326 8.375,1327 10.958,1328 0.267,1329 0.15,1330 10.958,1331 6.158,1332 9.847,1333 0.164,1334 0.075,1335 9.847,1336 4.52,1337 8.642,1338 0.099,1339 0.037,1340 8.642,1341 3.179,1342 7.228,1343 0.062,1344 0.019,1345 7.228,1346 2.26,1347 0.351,1348 76.348,1349 0.232,1350 23.521,1351 0.705,1352 138,1353 408.384,1354 154.834,1355 393.506,1356 549.07,1357 368,1358 170,1359 422.907,1360 188.974,1361 424.493,1362 636.37,1363 400,1364 5.721}
{0 CHEMBL278041,1 1.58,2 9.16,3 4.187,4 17.527,5 93.158,6 8.497,7 0.821,8 3.793,9 3.892,10 3.47,11 3.418,12 5.047,13 3.416,14 4.233,15 4.354,16 3.825,17 3.783,18 5.498,19 3.769,20 4.469,21 4.641,22 3.834,23 3.853,24 5.686,25 3.817,26 4.469,27 4.667,28 3.758,29 3.797,30 5.606,31 3.755,32 4.441,33 4.651,34 3.757,35 3.818,36 5.496,37 3.768,38 4.394,39 4.568,40 3.776,41 3.841,42 5.609,43 3.782,44 4.432,45 4.607,46 3.713,47 3.845,48 5.621,49 3.768,50 4.486,51 4.72,52 3.503,53 3.718,54 5.586,55 3.604,56 0.063,57 0.605,58 5.82,59 3.203,60 9.196,61 3.519,62 0.097,63 0.963,64 9.518,65 5.109,66 10.667,67 5.835,68 0.231,69 1.2,70 15.399,71 6.858,72 35.399,73 7.893,74 0.284,75 1.193,76 16.451,77 6.485,78 38.946,79 7.622,80 0.248,81 1.127,82 16.154,83 6.323,84 27.589,85 8.008,86 0.302,87 1.097,88 13.838,89 6.402,90 31.866,91 8.047,92 0.196,93 1.122,94 14.591,95 7.218,96 24.109,97 8.907,98 0.201,99 1.15,100 18.786,101 8.18,102 30.925,103 10.643,104 5,105 39,106 0.275,107 0.541,108 0.692,109 0.796,110 0.813,111 0.813,112 3.268,113 0.832,114 -4.77,115 -4.68,116 -4.4,118 51.3,138 10,139 3,140 2,141 2,142 1,148 1,156 1,167 10,171 4,173 1,175 4,178 9,182 6,186 7,188 5,192 6,197 5,199 6,206 1,208 2,211 14,214 1,215 1,218 1,219 1,223 18,228 3,235 12,240 4,245 2,247 4,252 2,257 4,264 925,265 17.154,266 17.154,267 17.154,268 17.154,269 17.154,270 14.445,271 3.784,272 10.202,273 17.429,274 13.846,275 13.846,276 13.846,277 13.846,278 13.846,279 9.895,280 1.825,281 4.905,282 14.339,283 3.705,284 2.179,285 1.313,286 0.718,287 0.615,288 0.615,289 3.967,293 1,294 1,295 501,296 2,299 66.493,300 238.298,307 1.299,308 24.666,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 54,320 229,321 4.567,322 3.208,323 6.747,324 4.171,325 3.203,326 4.3,328 11.08,329 3.103,330 4.119,331 2.899,332 6.079,333 3.728,334 2.744,335 3.726,337 8.826,338 2.698,339 3.976,340 2.771,341 5.772,342 3.554,343 2.573,344 3.568,346 7.837,347 2.525,348 3.723,349 2.479,350 5.077,351 3.265,352 2.312,353 3.238,355 6.17,356 2.193,357 3.55,358 2.423,359 5.02,360 3.139,361 2.192,362 2.906,364 5.992,365 2.062,366 3.201,367 1.832,368 4.657,369 2.716,370 1.764,371 2.485,373 4.826,374 1.671,375 2.872,376 1.445,377 4.175,378 2.353,379 1.414,380 2.038,382 3.52,383 1.323,384 2.5,385 1.118,386 3.91,387 2,388 1.04,389 1.5,391 2.901,392 1,393 2.5,394 1,395 3.457,396 2,397 1,398 1.5,400 2.275,401 1,402 2.5,403 1,404 3.414,405 1.993,406 1,407 1.5,409 2.275,410 0.986,411 2.5,412 1,413 3.414,414 1.984,415 1,416 1.5,417 2.202,418 0.983,419 2.277,420 0.815,421 3.247,422 1.718,423 0.795,424 1.171,425 2.136,426 0.732,427 1.155,428 0.311,429 2.607,430 0.765,431 -0.16,432 -0.199,433 -0.356,434 -0.144,435 1.099,436 0.088,437 2.546,438 0.691,439 -0.232,440 -0.293,441 -0.521,442 -0.21,443 0.755,444 -0.605,445 2.223,446 0.31,447 -0.65,448 -0.865,449 -1.517,450 -0.62,451 11.819,452 0.473,453 0.554,454 0.022,455 38.5,456 1.54,457 22.5,458 0.9,459 16,460 0.64,461 14.937,462 0.597,463 24.781,464 0.635,465 27.513,466 1.101,467 7.858,468 0.314,469 4.345,470 0.174,471 0.052,473 0.338,477 1,478 0.736,479 0.924,480 0.679,481 0.825,482 0.699,483 0.759,484 0.673,485 1.05,486 0.787,487 1.035,488 0.592,489 0.959,490 1.038,491 1.106,492 1.012,493 1.048,494 0.977,495 1.029,496 1.018,497 1.001,498 1.066,499 0.935,500 0.875,501 0.977,502 0.618,503 0.712,504 0.871,505 0.761,506 0.403,507 0.822,508 0.429,509 0.731,510 0.897,511 0.952,512 0.447,513 1.014,514 0.621,515 0.948,516 1.01,517 1.191,518 0.731,519 1.202,520 0.712,521 1.063,522 1.023,523 1.214,524 0.787,525 1.204,526 4.5,527 0.07,528 2.889,529 1.16,530 1.386,531 1.077,532 0.375,533 0.28,534 0.294,535 0.195,536 6899,537 21419,538 2.154,539 35.9,541 10,543 2,544 2,549 1.687,550 2.055,551 3.168,552 0.233,554 1,558 61.634,559 1.58,560 3.106,561 3.972,562 4.567,563 4.67,564 4.67,565 2.623,566 4.084,567 4.611,568 3.305,569 991.396,570 8.015,571 11822,573 1,574 1,575 1,576 206.131,577 1.26,578 4.592,579 0.161,580 0.008,581 0.074,582 0.031,583 0.04,584 0.03,585 0.01,586 0.008,587 0.012,588 0.011,589 0.385,590 0.33,591 1,592 0.477,593 118.685,594 -0.084,595 -0.021,596 0.01,597 0.063,598 -0.111,599 0.058,600 -0.009,601 -0.119,602 -0.049,603 -0.14,604 0.011,605 -0.115,606 -0.123,607 -0.132,608 -0.109,609 -0.101,610 -0.077,611 -0.102,612 -0.166,613 -0.05,614 -0.127,615 -0.012,616 -0.129,617 -0.044,618 -0.048,619 0.134,620 0.047,621 0.158,622 0.005,623 0.142,624 0.203,625 0.144,626 -0.038,627 -0.01,628 0.125,629 -0.068,630 0.071,631 -0.08,632 -0.12,633 -0.204,634 -0.015,635 -0.211,636 0.039,637 -0.19,638 0.025,639 -0.175,640 0.01,641 -0.105,642 1.955,643 5.274,644 0.92,645 21.28,646 1.011,647 1.116,648 3.541,649 12.537,650 0.717,651 3.367,652 3.689,653 3.97,654 4.248,655 4.533,656 4.644,657 4.779,658 4.934,659 5.069,660 5.043,661 5.563,662 0.701,663 331.37,664 3.367,665 4.905,666 5.759,667 6.637,668 7.515,669 8.404,670 9.293,671 10.188,672 11.083,673 11.983,674 7.7,682 1,684 2,690 12,691 2,692 1,695 8,697 23,713 1,715 1,716 39,718 23,719 2,720 28,722 42,723 20,724 20,725 4,726 8,728 4,729 4,740 20,757 1,758 1,760 14,761 4,762 2,763 5,766 1,769 3,775 1,776 1,787 1,793 1,794 3,819 4,825 1,827 25,832 1,849 1,850 2.6,852 1,858 12.167,859 6.993,860 5.444,861 2.194,863 3.35,864 1.462,865 1.024,866 3.945,867 10.595,868 3.701,869 4.341,870 4.964,871 5.583,872 6.164,873 6.506,874 6.979,875 7.462,876 7.93,877 8.255,878 1,879 38,880 9.185,881 3.969,882 7.893,883 17.231,884 14.158,885 2.393,886 59.833,890 141.253,891 139.376,892 50.357,894 42.683,895 14.96,897 139.376,898 183.937,899 65.317,902 94.762,903 102.125,904 56.315,905 17.717,906 117.711,908 141.253,909 189.733,910 57.643,913 156.213,914 42.683,917 39.965,918 116.197,919 33.571,921 156.213,922 93.04,923 139.376,926 141.253,927 26.519,928 112.857,929 16.786,930 91.215,931 141.253,932 108,933 139.376,935 0.58,936 0.333,937 0.179,938 0.109,939 20,940 8,941 0.071,942 3,944 1,945 3.72,946 214.737,948 23,949 104.096,954 15.401,955 6.404,956 3.112,958 91.215,959 20.258,960 8.754,961 3.333,964 4.743,966 59.469,967 388.63,968 39.5,980 39.447,981 43.535,983 0.299,984 0.588,985 0.752,986 0.864,987 0.884,988 0.884,989 4.911,990 1.04,991 5.733,992 3.52,993 4.369,994 5.027,996 6.535,997 4.302,998 6.128,999 1,1000 7.281,1001 2.901,1002 3.892,1003 4.691,1005 7.413,1006 3.776,1007 7.43,1008 1,1009 8.93,1010 2.275,1011 5.948,1012 7.239,1014 10.53,1015 5.827,1016 8.769,1017 1,1018 10.641,1019 2.275,1020 6.312,1021 7.743,1023 12.285,1024 6.146,1025 10.14,1026 0.795,1027 12.392,1028 2.202,1029 7.818,1030 9.71,1032 14.917,1033 7.644,1034 11.534,1035 -0.16,1036 14.173,1037 2.136,1038 8.577,1039 10.631,1041 17.035,1042 8.362,1043 12.946,1044 -0.232,1045 15.976,1046 -0.356,1047 9.858,1048 12.329,1050 19.507,1051 9.629,1052 3.203,1053 -0.65,1054 17.796,1055 -0.521,1056 10.814,1057 13.48,1059 21.783,1060 10.546,1061 2.744,1062 11.08,1063 19.63,1064 -1.517,1065 12.004,1066 15.044,1068 24.201,1069 11.714,1070 2.573,1071 8.826,1072 21.474,1073 4.3,1074 13.058,1075 16.325,1077 26.546,1078 12.731,1079 2.312,1080 7.837,1081 23.327,1082 3.726,1083 14.214,1084 17.823,1086 28.949,1087 13.862,1088 2.192,1089 6.17,1090 25.188,1091 3.568,1092 15.318,1093 19.179,1095 31.324,1096 14.929,1097 1.764,1098 5.992,1099 27.054,1100 3.238,1101 16.466,1102 20.646,1104 33.723,1105 16.048,1106 1.414,1107 4.826,1108 28.926,1109 2.906,1110 17.594,1111 22.043,1113 36.113,1114 17.141,1115 6547,1116 11639,1117 19.186,1118 27.978,1119 42.715,1120 42.412,1121 43.082,1122 42.187,1123 42.072,1124 58.864,1126 120.077,1127 40.549,1128 5.262,1129 5.208,1130 6.549,1131 5.206,1132 5.203,1133 7.3,1135 18.235,1136 5.103,1137 9.29,1138 1.526,1139 1.515,1140 1.539,1141 1.507,1142 1.503,1143 2.102,1145 4.288,1146 1.448,1147 4.088,1148 4.124,1149 4.056,1150 3.986,1151 8.201,1152 3.998,1153 3.872,1154 3.895,1155 3.818,1156 3.809,1157 6.471,1158 3.807,1159 3.829,1160 3.865,1161 3.772,1162 3.74,1163 5.028,1164 3.743,1165 3.595,1166 3.65,1167 3.545,1168 3.413,1169 4.835,1170 3.441,1171 2.964,1172 2.987,1173 2.918,1174 2.822,1175 4.601,1176 2.837,1177 2.854,1178 2.925,1179 2.768,1180 2.735,1181 4.461,1182 2.715,1183 2.854,1184 2.925,1185 2.687,1186 2.735,1187 3.777,1188 2.715,1189 2.854,1190 2.925,1191 2.687,1192 2.735,1193 3.674,1194 2.715,1195 0.163,1196 0.115,1197 0.241,1198 0.149,1199 0.114,1200 4.567,1201 0.154,1202 3.208,1204 6.747,1205 0.396,1206 4.171,1207 0.111,1208 3.203,1209 4.3,1211 11.08,1212 3.103,1213 1.926,1214 1.902,1215 2.012,1216 2.02,1217 1.119,1218 2.019,1219 1.9,1220 1.877,1221 1.997,1222 1.996,1223 1.081,1224 1.997,1225 1.811,1226 1.779,1227 1.921,1228 1.923,1229 0.97,1230 1.925,1231 1.3,1232 1.242,1233 1.423,1234 1.563,1235 0.466,1236 1.528,1237 1.217,1238 1.181,1239 1.274,1240 1.391,1241 0.33,1242 1.357,1243 0.886,1244 0.821,1245 1.181,1246 1.062,1247 0.218,1248 1.107,1249 0.886,1250 0.821,1251 1.181,1252 1.062,1253 0.218,1254 1.107,1255 0.886,1256 0.821,1257 1.181,1258 1.062,1259 0.218,1260 1.107,1261 4.043,1263 5.361,1264 2.398,1265 6.876,1266 4.727,1267 8.474,1268 6.862,1269 10.115,1273 13.274,1276 9.472,1289 27.323,1290 61.634,1291 121.137,1292 154.911,1293 178.131,1294 182.131,1295 182.131,1296 36.524,1297 7.245,1298 61.8,1299 61.8,1300 23,1301 12.507,1302 4.585,1303 3.644,1304 35.604,1305 81,1306 91,1307 0.214,1308 166.42,1309 280.34,1310 397.824,1311 11732,1312 2.6,1313 17.225,1314 0.689,1315 0.526,1316 16.355,1317 13.148,1318 12.204,1319 0.436,1320 0.277,1321 7.673,1322 11.82,1323 7.539,1324 6.24,1325 11.81,1326 7.763,1327 10.997,1328 0.282,1329 0.144,1330 10.375,1331 5.599,1332 9.348,1333 0.18,1334 0.076,1335 8.938,1336 3.931,1337 7.648,1338 0.111,1339 0.039,1340 7.496,1341 2.673,1342 6.576,1343 0.071,1344 0.02,1345 6.346,1346 1.857,1347 0.326,1348 75.981,1349 0.228,1350 23.908,1351 0.624,1352 134,1353 431.884,1354 145.485,1355 402.495,1356 550.06,1357 376,1358 158,1359 407.547,1360 168.927,1361 410.619,1362 598.6,1363 388,1364 5}
{0 CHEMBL288441,1 1.692,2 14.556,3 4.883,4 23.847,5 142.137,6 8.162,7 0.436,8 4.273,9 4.384,10 3.916,11 3.784,12 5.376,13 3.77,14 4.831,15 5.013,16 4.276,17 4.168,18 5.83,19 4.139,20 5.047,21 5.227,22 4.462,23 4.366,24 6.1,25 4.306,26 5.171,27 5.39,28 4.438,29 4.411,30 6.182,31 4.3,32 5.173,33 5.417,34 4.323,35 4.353,36 6.121,37 4.252,38 5.067,39 5.27,40 4.381,41 4.327,42 6.127,43 4.251,44 5.082,45 5.292,46 4.382,47 4.291,48 6.218,49 4.216,50 4.969,51 5.165,52 4.319,53 4.22,54 6.095,55 4.143,56 0.069,57 0.928,58 12.114,59 5.76,60 11.444,61 7.328,62 0.459,63 1.455,64 27.478,65 9.309,66 28.265,67 11.987,68 0.67,69 1.759,70 37.048,71 12.412,72 44.354,73 16.176,74 0.747,75 1.885,76 48.447,77 15.391,78 65.448,79 20.506,80 0.786,81 1.823,82 47.666,83 15.1,84 61.843,85 20.601,86 0.545,87 1.697,88 38.227,89 13.209,90 51.397,91 17.233,92 0.835,93 1.649,94 44.73,95 12.79,96 81.487,97 16.75,98 0.591,99 1.526,100 34.875,101 12.092,102 61.341,103 15.781,104 46,105 54,106 0.269,107 0.578,108 0.758,109 0.819,110 0.844,111 0.858,112 3.616,113 0.956,114 -2.61,115 -2.63,116 -2.56,118 40,120 1,123 3,124 6,138 4,139 2,140 7,141 1,142 1,153 1,167 1,171 9,175 3,178 4,181 2,182 6,186 3,188 5,191 3,192 2,195 3,197 1,199 5,203 1,204 5,206 1,208 1,211 6,215 8,218 1,223 4,227 3,228 7,235 4,239 4,240 5,245 1,247 2,251 1,252 5,260 1,264 2640,265 24.488,266 24.488,267 24.488,268 24.488,269 24.488,270 22.307,271 34.549,272 14.273,273 25.536,274 19.034,275 19.034,276 19.034,277 19.034,278 19.034,279 15.477,280 46.674,281 6.518,282 20.636,283 4.33,284 2.381,285 1.254,286 0.866,287 0.712,288 0.619,289 4.31,290 2,294 1,295 1115,296 3.742,300 447.348,304 171.585,307 2.469,308 35.703,311 0.75,312 0.83,313 0.67,314 0.9,315 0.5,316 0.83,317 1,318 0.78,319 78.167,320 524,321 4.641,322 4.073,323 6.744,324 4.181,325 3.209,326 4.576,327 2.035,328 11.06,329 3.122,330 4.356,331 3.389,332 6.254,333 3.898,334 2.975,335 4.047,336 0.86,337 9.396,338 2.714,339 4.121,340 3.291,341 6.128,342 3.692,343 2.75,344 3.649,345 0.86,346 8.973,347 2.58,348 3.712,349 3.03,350 5.738,351 3.539,352 2.618,353 3.095,354 0.86,355 7.555,356 2.409,357 3.696,358 2.944,359 5.593,360 3.271,361 2.381,362 3.022,363 0.8,364 7.155,365 2.127,366 3.618,367 2.869,368 5.412,369 3.159,370 2.199,371 2.643,372 0.8,373 7.12,374 2.046,375 3.356,376 2.49,377 4.889,378 3.027,379 2.116,380 2.617,381 0.4,382 5.696,383 1.928,384 3.12,385 2.318,386 4.869,387 2.826,388 1.885,389 2.239,391 5.397,392 1.766,393 3.058,394 2.29,395 4.569,396 2.606,397 1.711,398 2.118,400 4.732,401 1.479,402 2.992,403 2.215,404 4.338,405 2.475,406 1.56,407 1.821,409 3.968,410 1.405,411 2.748,412 1.905,413 3.731,414 2.195,415 1.257,416 1.407,417 2.927,418 1.166,419 2.414,420 1.642,421 3.54,422 1.967,423 1,424 1.289,425 2.275,426 0.965,427 2.058,428 1.476,429 3.414,430 1.779,431 0.954,432 1,433 2.202,434 0.751,435 2,436 1.146,437 3.306,438 1.595,439 0.711,440 0.968,441 1.396,442 0.6,443 1.819,444 1.023,445 3.093,446 1.518,447 0.612,448 0.72,449 1.318,450 0.545,451 17.429,452 0.484,453 0.831,454 0.023,455 45.25,456 1.257,457 21,458 0.583,459 24.25,460 0.674,461 35.284,462 0.98,463 39.571,464 0.609,465 37.538,466 1.043,467 8.985,468 0.25,469 8.441,470 0.234,471 0.191,473 0.333,478 0.833,479 1.513,480 0.608,481 1.108,482 0.563,483 0.979,484 1.305,485 0.972,486 0.709,487 0.683,488 0.682,489 0.71,490 0.971,491 1.108,492 0.882,493 0.996,494 0.662,495 0.976,496 0.764,497 0.99,498 0.836,499 1.008,500 0.734,501 1.026,502 0.794,503 0.859,504 0.739,505 0.856,506 0.746,507 0.836,508 1.09,509 1.073,510 0.804,511 0.917,512 0.966,513 0.913,514 1.22,515 0.902,516 1.054,517 0.911,518 1.181,519 0.895,520 0.897,521 1.096,522 0.821,523 1.053,524 0.848,525 1.018,526 7.5,527 0.264,528 4.444,529 2.125,530 2.596,531 1.278,532 0.973,533 0.833,534 0.537,535 0.341,536 19781,537 56853,538 2.04,539 44.6,541 25,543 1,544 1,547 2,549 1.775,550 1.895,551 3.765,552 -0.327,558 109.996,559 1.692,560 3.641,561 4.769,562 5.157,563 5.311,564 5.403,565 3.288,566 4.705,567 5.133,568 3.976,569 2504.59,570 9.031,571 40531.6,576 391.454,577 1.459,578 5.092,579 0.192,580 0.008,581 0.082,582 0.035,583 0.048,584 0.024,585 0.018,586 0.016,587 0.011,588 0.008,589 0.443,590 0.33,591 0.88,592 0.873,593 197.773,594 -0.041,595 -0.293,596 0.032,597 -0.131,598 0.044,599 -0.042,600 -0.217,601 0.142,602 0.06,603 0.244,604 -0.008,605 0.206,606 0.026,607 -0.025,608 0.003,609 -0.025,610 0.1,611 -0.026,612 0.115,613 0.004,614 0.077,615 -0.018,616 0.121,617 -0.03,618 0.099,619 0.086,620 0.134,621 0.12,622 0.097,623 0.17,624 -0.072,625 -0.066,626 0.067,627 0.059,628 0.025,629 0.059,630 -0.039,631 0.096,632 -0.005,633 0.066,634 0.064,635 0.063,636 0.126,637 -0.083,638 0.073,639 -0.072,640 0.19,641 -0.046,642 1.31,643 3.745,644 0.611,645 47.741,646 1.01,647 1.129,648 1.375,649 1.892,650 0.677,651 3.689,652 4.007,653 4.29,654 4.533,655 4.82,656 4.913,657 5.011,658 5.165,659 5.298,660 5.328,661 8.319,662 0.642,663 530.5,664 3.689,665 5.231,666 6.084,667 6.961,668 7.836,669 8.719,670 9.602,671 10.491,672 11.379,673 12.271,674 7.7,677 2,682 1,683 1,684 1,689 2,690 5,691 1,695 8,697 17,699 1,709 1,714 3,715 2,716 65,718 18,719 2,720 39,722 68,723 26,724 15,725 8,726 4,728 4,729 5,730 2,738 1,739 1,740 15,741 10,760 29,761 8,762 1,763 10,764 2,769 5,775 0.75,776 3,787 1,794 4,798 1,816 2,819 3,823 3,824 2,827 36,833 7,834 1,835 3,838 2,842 1,846 1,848 1,849 2,850 4.6,855 3,858 19,859 12.752,860 8.167,861 3.792,863 3.505,864 1.428,865 0.963,866 9.127,867 11.694,868 3.922,869 4.5,870 5.107,871 5.692,872 6.322,873 6.711,874 7.12,875 7.564,876 7.999,877 8.189,878 0.9,879 60,880 13.269,881 5.517,882 7.719,883 25.373,884 20.365,885 2.219,886 79.889,890 329.591,891 147.52,892 72.104,893 78.297,894 33,897 147.52,898 440.888,899 72.104,900 30.162,901 17.655,902 37.905,903 45.158,904 133.513,906 317.82,907 78.297,908 329.591,909 219.624,910 33,911 78.297,913 306.049,914 56.542,917 84.166,918 118.673,919 95.083,921 329.591,922 105.104,923 225.817,926 329.591,927 53.803,928 83.364,929 34.612,930 159.142,931 329.591,932 105.104,933 225.817,935 0.575,936 0.349,937 0.186,938 0.107,939 24,940 12,941 0.132,942 9,943 1,944 1.091,945 4.563,946 340.42,947 0.091,948 22,949 182.117,954 26.743,955 12.286,956 6.345,957 1.351,958 105.104,959 8.458,960 4.48,964 3.866,966 18.011,967 660.512,968 49.5,980 65.625,981 73.405,983 0.281,984 0.605,985 0.792,986 0.856,987 0.882,988 0.897,989 5.178,990 1.885,991 6.071,992 5.696,993 4.691,994 5.187,995 2.77,996 6.884,997 4.539,998 6.384,999 1.711,1000 7.636,1001 5.397,1002 4.29,1003 5.085,1004 0.57,1005 7.796,1006 4.046,1007 7.699,1008 1.56,1009 9.298,1010 4.732,1011 6.293,1012 7.42,1013 3.677,1014 10.882,1015 6.03,1016 9.048,1017 1.257,1018 11.017,1019 3.968,1020 6.698,1021 8.155,1022 0.479,1023 12.597,1024 6.355,1025 10.43,1026 1,1027 12.771,1028 2.927,1029 8.165,1030 9.985,1031 4.983,1032 15.213,1033 7.807,1034 11.835,1035 0.954,1036 14.549,1037 2.275,1038 8.945,1039 11.11,1040 0.346,1041 17.281,1042 8.527,1043 13.258,1044 0.711,1045 16.346,1046 2.202,1047 10.201,1048 12.743,1049 6.381,1050 19.737,1051 9.765,1052 3.209,1053 0.612,1054 18.156,1055 1.396,1056 11.164,1057 14.059,1058 0.237,1059 21.97,1060 10.684,1061 2.975,1062 11.06,1063 19.977,1064 1.318,1065 12.337,1066 15.61,1067 7.798,1068 24.37,1069 11.836,1070 2.75,1071 9.396,1072 21.808,1073 4.576,1074 13.388,1075 17.02,1076 0.158,1077 26.683,1078 12.855,1079 2.618,1080 8.973,1081 23.646,1082 4.047,1083 14.531,1084 18.539,1085 9.218,1086 29.067,1087 13.978,1088 2.381,1089 7.555,1090 25.491,1091 3.649,1092 15.627,1093 19.997,1094 0.104,1095 31.419,1096 15.048,1097 2.199,1098 7.155,1099 27.343,1100 3.095,1101 16.762,1102 21.506,1103 10.638,1104 33.803,1105 16.164,1106 2.116,1107 7.12,1108 29.199,1109 3.022,1110 17.88,1111 22.988,1112 0.068,1113 36.175,1114 17.26,1115 19083,1116 32774,1117 25.66,1118 44.006,1119 58.42,1120 61.514,1121 60.367,1122 57.342,1123 57.166,1124 71.872,1125 13.229,1126 164.588,1127 52.328,1128 5.641,1129 6.073,1130 6.424,1131 5.25,1132 5.209,1133 7.576,1134 4.069,1135 18.287,1136 5.122,1137 20.414,1138 1.498,1139 1.577,1140 1.548,1141 1.47,1142 1.466,1143 1.843,1144 0.339,1145 4.22,1146 1.342,1147 4.102,1148 4.123,1149 4.131,1150 4.02,1151 6.82,1152 4.031,1153 3.898,1154 3.936,1155 4.026,1156 3.838,1157 5.075,1158 3.835,1159 3.858,1160 3.906,1161 3.736,1162 3.656,1163 4.997,1164 3.665,1165 3.62,1166 3.661,1167 3.611,1168 3.468,1169 4.688,1170 3.486,1171 3.502,1172 3.556,1173 3.555,1174 3.343,1175 4.656,1176 3.337,1177 3.268,1178 3.326,1179 3.363,1180 3.012,1181 4.493,1182 3.026,1183 3.236,1184 3.303,1185 3.212,1186 2.977,1187 4.474,1188 2.998,1189 3.19,1190 3.282,1191 3.119,1192 2.941,1193 4.387,1194 2.94,1195 0.119,1196 0.104,1197 0.173,1198 0.107,1199 0.082,1200 4.641,1201 0.117,1202 4.073,1203 0.052,1204 6.744,1205 0.284,1206 4.181,1207 0.08,1208 3.209,1209 4.576,1210 2.035,1211 11.06,1212 3.122,1213 2.038,1214 2.021,1215 2.082,1216 2.134,1217 1.336,1218 2.12,1219 1.853,1220 1.844,1221 2.014,1222 2.03,1223 1.233,1224 2.032,1225 1.799,1226 1.726,1227 1.889,1228 1.939,1229 1.12,1230 1.936,1231 1.571,1232 1.529,1233 1.818,1234 1.782,1235 1.045,1236 1.794,1237 1.476,1238 1.427,1239 1.626,1240 1.659,1241 0.825,1242 1.649,1243 1.198,1244 1.131,1245 1.561,1246 1.51,1247 0.671,1248 1.527,1249 1.181,1250 1.108,1251 1.542,1252 1.481,1253 0.641,1254 1.501,1255 1.162,1256 1.064,1257 1.513,1258 1.429,1259 0.572,1260 1.455,1261 4.369,1263 5.687,1265 7.209,1267 8.828,1269 10.5,1271 5.273,1272 12.604,1277 6.832,1278 3.261,1279 17.025,1282 4.805,1287 9.745,1288 2.19,1289 41.755,1290 109.996,1291 236.683,1292 309.97,1293 335.189,1294 345.189,1295 351.189,1296 72.029,1297 8.188,1298 82.88,1299 82.88,1300 24,1301 12.799,1302 4.248,1303 3.524,1304 62.202,1305 176,1306 220,1307 0.169,1308 263.95,1309 461.61,1310 635.797,1311 45361,1312 3.1,1313 25.656,1314 0.713,1315 0.614,1316 26.656,1317 22.118,1318 17.427,1319 0.447,1320 0.319,1321 11.512,1322 16.021,1323 11.105,1324 9.192,1325 18.004,1326 12.433,1327 15.234,1328 0.282,1329 0.175,1330 15.975,1331 9.432,1332 13.196,1333 0.183,1334 0.095,1335 13.903,1336 6.855,1337 10.596,1338 0.115,1339 0.051,1340 11.348,1341 4.657,1342 8.905,1343 0.072,1344 0.027,1345 9.35,1346 3.275,1347 0.269,1348 116.575,1349 0.197,1350 33.236,1351 0.455,1352 186,1353 582.527,1354 234.637,1355 613.408,1356 812.98,1357 574,1358 219,1359 540.271,1360 263.019,1361 569.569,1362 830.61,1363 530,1364 8.148}
{0 CHEMBL296468,1 1.706,2 11.8,3 2.284,4 5.216,5 101.699,6 7.767,7 0.37,8 3.979,9 4.1,10 3.665,11 3.55,12 4.99,13 3.47,14 4.551,15 4.736,16 4.127,17 3.973,18 5.51,19 3.851,20 4.782,21 4.99,22 3.999,23 4.025,24 5.719,25 3.878,26 4.895,27 5.161,28 3.92,29 3.959,30 5.827,31 3.792,32 4.614,33 4.87,34 3.825,35 3.766,36 5.612,37 3.614,38 4.288,39 4.455,40 3.875,41 3.739,42 5.319,43 3.56,44 4.388,45 4.617,46 3.622,47 3.732,48 5.218,49 3.493,50 4.129,51 4.299,52 3.55,53 3.559,54 5.096,55 3.378,56 0.023,57 0.759,58 11.51,59 5.054,60 7.549,61 6.286,62 0.278,63 1.247,64 28.591,65 9.346,66 26.577,67 11.26,68 0.297,69 1.401,70 33.279,71 10.879,72 34.528,73 13.753,74 0.565,75 1.39,76 39.808,77 11.762,78 59.771,79 14.875,80 0.453,81 1.155,82 31.374,83 8.604,84 47.285,85 10.791,86 0.28,87 0.985,88 24.271,89 7.881,90 25.889,91 8.452,92 0.298,93 1.03,94 34.79,95 10.196,96 21.236,97 10.966,98 0.13,99 0.81,100 20.114,101 6.957,102 17.688,103 7.67,104 18,105 38,106 0.292,107 0.602,108 0.762,109 0.769,110 0.769,111 0.769,112 3.266,113 1.141,114 -3.55,115 -3.52,116 -3.36,118 34.7,119 3,120 2,121 1,122 1,124 3,141 2,148 1,149 1,153 1,156 1,157 1,167 5,170 1,171 3,173 2,175 4,178 5,182 9,186 3,191 1,192 5,197 1,199 1,204 4,206 1,207 1,211 3,214 2,215 1,223 4,231 3,233 1,235 3,240 1,247 3,251 2,252 5,257 2,264 932,265 16.419,266 16.419,267 16.419,268 16.419,269 16.419,270 15.14,271 26.932,272 9.68,273 17.048,274 13.351,275 13.351,276 13.351,277 13.351,278 13.351,279 11.287,280 36.798,281 4.651,282 14.413,283 3.909,284 2.106,285 1.169,286 1.128,287 1.128,288 1.128,289 3.941,292 1,293 1,294 1,295 625,296 3.808,299 156.977,300 94.674,307 2,308 23.413,311 1,312 1,313 1,314 1,315 1,316 1,317 1,318 1,319 54,320 295,321 4.469,322 4.438,323 7.118,324 4.324,325 3.327,326 3.913,327 3.272,328 11.698,329 3.319,330 4.158,331 3.714,332 6.056,333 3.826,334 2.864,335 3.744,336 1.907,337 8.732,338 2.803,339 3.901,340 3.55,341 5.63,342 3.537,343 2.662,344 3.093,345 0.4,346 7.783,347 2.377,348 3.764,349 3.025,350 5.4,351 3.41,352 2.465,353 3.018,354 0.149,355 7.151,356 2.214,357 3.209,358 2.474,359 4.909,360 2.885,361 1.995,362 2.362,364 5.721,365 1.779,366 2.876,367 2.279,368 4.427,369 2.595,370 1.672,371 1.879,373 4.185,374 1.505,375 2.727,376 2.14,377 4.159,378 2.39,379 1.423,380 1.782,382 3.835,383 1.365,384 2.242,385 1.609,386 3.45,387 1.995,388 1.036,389 1.167,391 2.476,392 0.983,393 2.17,394 1.358,395 3.302,396 1.984,397 1,398 1.043,400 2.136,401 0.98,402 2.159,403 1.077,404 3.273,405 1.65,406 0.756,407 1.014,409 1.811,410 0.666,411 2,412 0.946,413 3.247,414 1.604,415 0.692,416 1,417 1.686,418 0.625,419 1.691,420 0.695,421 3.103,422 1.255,423 0.447,424 0.545,425 1.109,426 0.352,427 0.997,428 0.454,429 2.645,430 0.58,431 -0.353,432 -0.42,433 -0.95,434 -0.318,435 0.447,436 0.164,437 2.528,438 0.262,439 -0.75,440 -0.824,441 -1.619,442 -0.688,443 0.372,444 -0.323,445 2.123,446 0.108,447 -0.805,448 -0.972,449 -2.339,450 -0.78,451 12.433,452 0.497,453 0.757,454 0.03,455 26.75,456 1.07,457 10.5,458 0.42,459 16.25,460 0.65,461 26.424,462 1.057,463 28.367,464 0.579,465 15.677,466 0.627,467 4.316,468 0.173,469 7.599,470 0.304,471 0.147,472 0.04,473 0.241,478 0.826,479 1.328,480 0.768,481 0.982,482 0.633,483 1.001,484 0.701,485 1.057,486 0.796,487 0.945,488 0.553,489 0.906,490 1.139,491 1.232,492 1.001,493 1.159,494 1.094,495 1.179,496 1.356,497 0.855,498 0.806,499 0.76,500 1.358,501 0.808,502 1.229,503 0.814,504 0.973,505 0.834,506 1.538,507 0.797,508 1.19,509 1.113,510 1.51,511 1.302,512 1.169,513 1.121,514 0.535,515 1.121,516 1.958,517 1.724,518 0.462,519 1.129,520 1.131,521 1.318,522 1.527,523 1.428,524 1.198,525 1.238,526 6.5,527 0.09,528 2.667,529 1.507,530 1.296,531 0.511,532 0.375,533 0.293,534 0.185,535 0.2,536 8015,537 19920,538 2.028,539 49,540 9,541 6,543 2,544 2,545 1,546 4,549 1.672,550 1.887,551 3.515,552 0.352,553 1,554 1,558 83.595,559 1.706,560 3.509,561 4.446,562 4.486,563 4.486,564 4.486,565 2.953,566 4.134,567 4.617,568 3.731,569 1119.21,570 7.942,571 14422.1,573 1,575 1,576 275.121,577 1.571,578 4.56,579 0.241,580 0.006,581 0.07,582 0.047,583 0.045,584 0.02,585 0.015,586 0.013,587 0.009,588 0.011,589 0.477,590 0.33,591 1,592 0.795,593 124.003,594 -0.047,595 -0.12,596 0.077,597 0.031,598 -0.025,599 0.02,600 0.184,601 0.059,602 0.209,603 0.107,604 0.134,605 0.101,606 -0.083,607 -0.227,608 -0.066,609 -0.185,610 -0.089,611 -0.198,612 -0.067,613 0.013,614 0.123,615 0.137,616 -0.038,617 0.135,618 -0.041,619 0.192,620 0.084,621 0.138,622 -0.063,623 0.139,624 -0.078,625 0.123,626 -0.07,627 0.039,628 -0.112,629 -0.088,630 0.13,631 0.03,632 -0.26,633 -0.191,634 0.062,635 -0.007,636 -0.183,637 -0.162,638 -0.2,639 -0.128,640 -0.136,641 -0.177,642 1.588,643 5.249,644 0.64,645 24.531,646 1.001,647 1.131,648 2.316,649 5.362,650 0.67,651 3.332,652 3.664,653 3.829,654 4.007,655 4.078,656 4.078,657 4.078,658 4.174,659 4.248,660 4.317,661 7.128,662 0.615,663 380.59,664 3.332,665 4.875,666 5.694,667 6.561,668 7.397,669 8.262,670 9.104,671 9.968,672 10.814,673 11.676,674 8.2,676 1,681 1,684 2,690 2,691 2,693 1,694 1,695 4,697 10,716 49,718 11,720 27,722 51,723 17,724 6,728 3,729 3,732 3,733 1,735 2,736 1,738 2,740 7,741 10,742 1,744 1,749 1,753 1,756 1,757 1,760 24,761 6,762 2,763 8,764 2,769 4,775 1,776 2,780 1,793 2,794 1,807 1,815 1,819 3,820 1,821 2,823 3,827 25,833 5,834 2,836 1,837 1,839 1,844 1,850 4.1,853 1,855 1,858 13.25,859 9.567,860 5.361,861 2.963,863 1.801,864 1.259,865 0.938,866 6.182,867 8.746,868 3.526,869 4.052,870 4.486,871 4.95,872 5.048,873 5.236,874 5.361,875 5.659,876 5.968,877 6.285,878 0.875,879 32,880 9.286,881 3.894,882 7.643,883 18.061,884 14.9,885 2.143,886 53.583,890 258.964,891 133.922,892 69.593,894 34.652,896 63.497,897 70.425,898 293.617,899 69.593,900 26.476,901 28.191,902 18.011,903 91.983,904 28.103,905 5.449,906 298.919,908 258.964,909 140.017,910 34.652,911 63.497,913 211.88,914 81.737,917 96.293,918 10.153,919 33.571,920 63.497,921 258.964,922 104.245,923 133.922,926 258.964,927 89.352,928 44.57,929 36.022,930 68.223,931 258.964,932 104.245,933 133.922,935 0.59,936 0.321,937 0.158,938 0.079,939 18,940 8,941 0.118,942 6,944 1,945 3.82,946 192.522,948 16,949 107.342,950 2,954 18.869,955 8.191,956 5.284,958 104.245,959 3.591,960 8.642,962 5.797,963 1.492,964 3.302,966 36.022,967 497.131,968 33,973 12.249,977 0.079,980 49.051,981 55.404,983 0.304,984 0.625,985 0.792,986 0.799,987 0.799,988 0.799,989 4.783,990 1.036,991 5.714,992 3.835,993 4.344,994 4.736,995 3.36,996 6.518,997 4.218,998 5.978,999 1,1000 7.28,1001 2.476,1002 4.111,1003 4.575,1004 1.593,1005 7.644,1006 4.011,1007 7.285,1008 0.756,1009 8.959,1010 2.136,1011 5.994,1012 6.808,1013 5.512,1014 10.597,1015 5.803,1016 8.625,1017 0.692,1018 10.709,1019 1.811,1020 6.567,1021 7.459,1022 3.032,1023 12.55,1024 6.426,1025 9.999,1026 0.447,1027 12.506,1028 1.686,1029 7.971,1030 9.173,1031 7.829,1032 15.115,1033 7.776,1034 11.393,1035 -0.353,1036 14.337,1037 1.109,1038 8.879,1039 10.182,1040 4.409,1041 17.376,1042 8.731,1043 12.803,1044 -0.75,1045 16.193,1046 -0.95,1047 10.122,1048 11.686,1049 10.185,1050 19.847,1051 9.95,1052 3.327,1053 -0.805,1054 18.069,1055 -1.619,1056 11.177,1057 12.866,1058 5.75,1059 22.226,1060 11.039,1061 2.864,1062 11.698,1063 19.961,1064 -2.339,1065 12.366,1066 14.279,1067 12.551,1068 24.679,1069 12.223,1070 2.662,1071 8.732,1072 21.866,1073 3.913,1074 13.489,1075 15.543,1076 7.068,1077 27.104,1078 13.367,1079 2.465,1080 7.783,1081 23.781,1082 3.744,1083 14.666,1084 16.917,1085 14.92,1086 29.556,1087 14.546,1088 1.995,1089 7.151,1090 25.704,1091 3.093,1092 15.821,1093 18.223,1094 8.374,1095 32,1096 15.715,1097 1.672,1098 5.721,1099 27.634,1100 3.018,1101 16.999,1102 19.581,1103 17.291,1104 34.454,1105 16.898,1106 1.423,1107 4.185,1108 29.57,1109 2.362,1110 18.171,1111 20.908,1112 9.674,1113 36.907,1114 18.079,1115 7787,1116 12486,1117 17.682,1118 32.841,1119 41.398,1120 44.023,1121 40.594,1122 40.509,1123 40.678,1124 49.121,1125 11.457,1126 116.645,1127 37.934,1128 5.469,1129 6.331,1130 6.92,1131 5.526,1132 5.327,1133 6.55,1134 6.545,1135 18.723,1136 5.255,1137 13.074,1138 1.533,1139 1.63,1140 1.503,1141 1.5,1142 1.507,1143 1.819,1144 0.424,1145 4.32,1146 1.405,1147 3.964,1148 3.99,1149 4.312,1150 3.884,1151 7.428,1152 3.831,1153 3.886,1154 3.93,1155 3.906,1156 3.753,1157 5.134,1158 3.747,1159 3.764,1160 3.794,1161 3.749,1162 3.699,1163 4.83,1164 3.664,1165 3.535,1166 3.595,1167 3.532,1168 3.378,1169 4.361,1170 3.366,1171 3.314,1172 3.363,1173 3.293,1174 3.065,1175 4.238,1176 3.085,1177 3.111,1178 3.206,1179 3.179,1180 2.941,1181 3.819,1182 2.91,1183 3.004,1184 3.067,1185 2.866,1186 2.914,1187 3.794,1188 2.849,1189 2.874,1190 3.009,1191 2.604,1192 2.618,1193 3.605,1194 2.57,1195 0.166,1196 0.164,1197 0.264,1198 0.16,1199 0.123,1200 4.469,1201 0.145,1202 4.438,1203 0.121,1204 7.118,1205 0.433,1206 4.324,1207 0.123,1208 3.327,1209 3.913,1210 3.272,1211 11.698,1212 3.319,1213 1.836,1214 1.783,1215 2.039,1216 2.019,1217 1.39,1218 2.029,1219 1.774,1220 1.732,1221 1.988,1222 1.925,1223 1.203,1224 1.946,1225 1.509,1226 1.505,1227 1.565,1228 1.655,1229 0.892,1230 1.66,1231 1.364,1232 1.316,1233 1.513,1234 1.637,1235 0.825,1236 1.607,1237 1.246,1238 1.213,1239 1.477,1240 1.411,1241 0.614,1242 1.429,1243 1.153,1244 1.064,1245 1.417,1246 1.376,1247 0.493,1248 1.411,1249 1.109,1250 1.062,1251 1.417,1252 1.353,1253 0.469,1254 1.343,1255 1.034,1256 0.988,1257 1.356,1258 1.239,1259 0.469,1260 1.308,1261 4.007,1263 5.333,1264 3.045,1265 6.817,1266 5.283,1267 8.367,1268 7.273,1269 9.953,1271 6.306,1277 4.242,1278 6.212,1280 1.619,1281 0.087,1283 -0.035,1289 30.157,1290 83.595,1291 171.927,1292 217.837,1293 219.837,1294 219.837,1295 219.837,1296 47.806,1297 6.945,1298 80.05,1299 133.59,1300 16,1301 12.228,1302 3.585,1303 2.807,1304 42.16,1305 108,1306 90,1307 0.189,1308 194.455,1309 329.18,1310 466.229,1311 9880,1313 17.864,1314 0.715,1315 0.657,1316 18.571,1317 16.428,1318 11.915,1319 0.441,1320 0.38,1321 8.514,1322 10.638,1323 8.023,1324 6.704,1325 12.777,1326 10.272,1327 11.476,1328 0.302,1329 0.249,1330 12.82,1331 9.461,1332 8.559,1333 0.19,1334 0.137,1335 10.051,1336 6.147,1337 6.671,1338 0.124,1339 0.079,1340 8.233,1341 4.261,1342 4.753,1343 0.082,1344 0.05,1345 6.206,1346 2.923,1347 0.307,1348 83.323,1349 0.238,1350 24.931,1351 0.49,1352 130,1353 373.148,1354 198.068,1355 396.987,1356 537,1357 372,1358 148,1359 362.019,1360 201.5,1361 392.607,1362 572.45,1363 366,1364 5}
{0 CHEMBL300138,1 1.463,2 13.769,3 4.534,4 20.558,5 151.757,6 7.583,7 0.578,8 4.333,9 4.449,10 3.937,11 3.93,12 5.403,13 3.909,14 4.891,15 5.057,16 4.336,17 4.371,18 5.922,19 4.332,20 5.159,21 5.356,22 4.405,23 4.538,24 6.128,25 4.466,26 5.263,27 5.477,28 4.438,29 4.597,30 6.268,31 4.508,32 5.31,33 5.525,34 4.491,35 4.613,36 6.325,37 4.532,38 5.321,39 5.528,40 4.488,41 4.613,42 6.389,43 4.535,44 5.332,45 5.549,46 4.383,47 4.562,48 6.387,49 4.469,50 5.254,51 5.487,52 4.229,53 4.439,54 6.266,55 4.338,56 0.024,57 1.003,58 13.098,59 5.962,60 8.409,61 7.762,62 0.268,63 1.73,64 25.55,65 10.038,66 25.517,67 13.473,68 0.279,69 2.148,70 35.731,71 14.257,72 33.073,73 19.155,74 0.361,75 2.339,76 40.757,77 16.439,78 61.46,79 22.531,80 0.425,81 2.439,82 43.258,83 16.985,84 51.945,85 23.08,86 0.414,87 2.432,88 43.587,89 16.945,90 64.64,91 22.641,92 0.47,93 2.42,94 45.411,95 17.217,96 83.853,97 22.682,98 0.493,99 2.205,100 43.594,101 15.829,102 86.688,103 20.961,104 10,105 66,106 0.225,107 0.565,108 0.719,109 0.796,110 0.832,111 0.85,112 3.694,113 0.897,114 -4.04,115 -3.99,116 -3.78,118 47.1,120 2,123 1,124 3,126 1,133 2,138 11,139 4,141 1,142 1,147 2,148 2,153 2,167 15,171 14,173 2,175 2,178 16,181 1,182 12,186 2,188 13,191 2,192 9,197 2,199 16,203 2,204 9,206 2,208 2,211 17,214 2,215 11,220 4,223 14,227 2,228 14,233 4,235 11,240 11,247 8,251 1,252 9,255 1,260 11,264 3072,265 26.999,266 26.999,267 26.999,268 26.999,269 26.999,270 23.554,271 25.266,272 15.774,273 27.369,274 22.269,275 22.269,276 22.269,277 22.269,278 22.269,279 16.942,280 30.58,281 7.522,282 22.853,283 4.625,284 2.421,285 1.418,286 0.917,287 0.688,288 0.57,289 4.42,294 1,295 1220,296 2.915,299 243.269,300 429.132,303 290.794,307 2.146,308 30.791,311 0.75,312 0.67,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.75,319 82.5,320 537,321 4.828,322 3.839,323 7.192,324 4.426,325 3.434,326 4.717,327 1.2,328 12.678,329 3.407,330 4.647,331 3.339,332 6.862,333 4.189,334 3.219,335 4.604,336 0.916,337 11.457,338 3.126,339 4.366,340 3.257,341 6.577,342 3.943,343 2.969,344 3.945,345 0.8,346 10.363,347 2.887,348 3.942,349 3.154,350 6.041,351 3.657,352 2.704,353 3.457,354 0.172,355 8.5,356 2.579,357 3.747,358 3.004,359 5.694,360 3.468,361 2.495,362 3.016,364 7.686,365 2.42,366 3.54,367 2.655,368 5.562,369 3.205,370 2.217,371 2.846,373 7.198,374 2.197,375 3.395,376 2.417,377 5.278,378 3.076,379 2.125,380 2.702,382 6.187,383 2.007,384 3.342,385 2.303,386 5.064,387 2.957,388 1.974,389 2.626,391 5.967,392 1.932,393 3.314,394 2.04,395 4.979,396 2.847,397 1.877,398 2.466,400 5.314,401 1.809,402 3.149,403 1.903,404 4.761,405 2.678,406 1.648,407 2.307,409 4.702,410 1.685,411 2.916,412 1.582,413 4.515,414 2.522,415 1.543,416 2.062,417 4.185,418 1.509,419 2.843,420 1.472,421 4.31,422 2.377,423 1.394,424 1.923,425 3.557,426 1.367,427 2.777,428 1.447,429 3.653,430 2.32,431 1.324,432 1.857,433 3.031,434 1.316,435 2.655,436 1.216,437 3.595,438 2.167,439 1.178,440 1.709,441 2.78,442 1.163,443 2.528,444 1.122,445 3.584,446 2.045,447 1.067,448 1.507,449 2.716,450 1.041,451 18.667,452 0.479,453 0.935,454 0.024,455 52.75,456 1.353,457 26.5,458 0.679,459 26.25,460 0.673,461 35.82,462 0.918,463 39.533,464 0.581,465 44.945,466 1.152,467 10.362,468 0.266,469 8.718,470 0.224,471 0.063,473 0.386,478 0.71,479 1.287,480 0.74,481 1.001,482 0.518,483 0.891,484 0.847,485 1.037,486 0.868,487 0.869,488 0.517,489 0.856,490 0.954,491 0.997,492 0.962,493 0.976,494 0.811,495 0.965,496 0.707,497 1.026,498 0.915,499 1.024,500 0.547,501 0.996,502 0.876,503 1.012,504 0.912,505 1.011,506 0.95,507 0.974,508 1.113,509 1.069,510 0.995,511 1.062,512 1.219,513 1.023,514 1.389,515 1.04,516 1.118,517 1.081,518 1.574,519 1.077,520 1.557,521 1.002,522 1.117,523 0.973,524 1.773,525 0.998,526 6,527 0.224,528 4.222,529 3.91,530 2.248,531 1.668,532 1.266,533 0.829,534 0.536,535 0.355,536 25302,537 59288,538 2.216,539 42.6,541 21,542 2,543 1,544 1,547 4,549 1.797,550 2.108,551 3.685,552 -0.434,558 99.456,559 1.463,560 3.666,561 4.67,562 5.17,563 5.4,564 5.518,565 3.214,566 4.978,567 5.251,568 3.876,569 2871.9,570 9.281,571 46468.6,576 413.947,577 1.296,578 5.233,579 0.133,580 0.005,581 0.064,582 0.057,583 0.032,584 0.023,585 0.018,586 0.013,587 0.01,588 0.007,589 0.362,590 0.33,591 0.75,592 0.42,593 215.456,594 -0.009,595 -0.177,596 0.072,597 -0.037,598 -0.013,599 0.015,600 0.023,601 0.077,602 0.02,603 0.073,604 0.06,605 0.054,606 -0.062,607 0.031,608 -0.026,610 -0.015,611 -0.004,612 0.107,613 -0.033,614 0.037,615 -0.032,616 0.187,617 -0.007,618 0.109,619 -0.018,620 0.061,621 -0.028,622 0.036,623 0.004,624 0.017,625 -0.079,626 -0.017,627 -0.081,628 0.011,629 -0.056,630 -0.106,631 -0.068,632 -0.112,633 -0.1,634 -0.101,635 -0.108,636 -0.195,637 -0.045,638 -0.08,639 0.008,640 -0.196,641 -0.02,642 2.008,643 6.339,644 0.897,645 45.945,646 0.997,647 1.116,648 2.809,649 7.892,650 0.692,651 3.829,652 4.205,653 4.575,654 4.949,655 5.226,656 5.394,657 5.642,658 5.844,659 5.976,660 6.127,661 7.828,662 0.66,663 515.66,664 3.829,665 5.407,666 6.304,667 7.225,668 8.143,669 9.073,670 10.002,671 10.938,672 11.872,673 12.812,674 7.4,677 1,681 1,682 2,684 1,689 4,690 14,691 1,695 3,696 2,697 26,716 68,718 29,719 2,720 45,722 74,723 32,724 21,725 4,726 8,727 4,728 7,729 9,735 3,738 3,740 25,741 7,744 3,749 2,753 4,760 29,761 5,762 1,763 7,769 5,772 1,775 0.714,776 2,787 1,789 2,793 3,794 4,797 2,812 2,816 1,819 5,823 1,827 39,833 5,834 1,837 1,838 1,850 2.9,853 2,858 18.5,859 12.633,860 8.333,861 4.229,863 5.129,864 1.545,865 1.059,866 5.952,867 14.546,868 4.127,869 4.787,870 5.474,871 6.159,872 6.731,873 7.14,874 7.666,875 8.146,876 8.471,877 8.912,878 1,879 69,880 14.516,881 6.465,882 7.62,883 28.163,884 24.475,885 2.12,886 82.667,890 329.591,891 185.506,892 41.719,894 50.29,897 185.506,898 379.881,899 41.719,900 8.396,901 29.397,902 122.334,903 88.256,904 36.615,905 27.83,906 294.278,908 329.591,909 227.225,910 50.29,913 282.506,914 97.374,917 48.124,918 162.316,919 16.786,921 329.591,922 92.009,923 185.506,926 329.591,927 45.729,928 146.7,929 18.011,930 67.075,931 329.591,932 92.009,933 185.506,935 0.588,936 0.359,937 0.213,938 0.12,939 36,940 15,941 0.068,942 5,943 2,944 1.114,945 4.812,946 430.55,947 0.114,948 35,949 198.131,954 24.081,955 9.639,956 4.117,957 4.061,958 88.21,959 28.156,960 4.485,964 2.688,965 4.333,966 18.011,967 607.106,968 61,973 26.575,977 0.228,980 67.767,981 75.893,983 0.24,984 0.602,985 0.767,986 0.849,987 0.887,988 0.906,989 5.391,990 1.974,991 6.304,992 6.187,993 4.89,994 5.476,995 1.897,996 7.194,997 4.842,998 6.62,999 1.877,1000 7.904,1001 5.967,1002 4.511,1003 5.345,1004 0.325,1005 8.231,1006 4.439,1007 7.952,1008 1.648,1009 9.607,1010 5.314,1011 6.547,1012 7.765,1013 1.935,1014 11.422,1015 6.452,1016 9.326,1017 1.543,1018 11.375,1019 4.702,1020 7.04,1021 8.538,1022 0.393,1023 13.347,1024 6.927,1025 10.739,1026 1.394,1027 13.184,1028 4.185,1029 8.535,1030 10.415,1031 2.104,1032 16.059,1033 8.402,1034 12.181,1035 1.324,1036 15.023,1037 3.557,1038 9.425,1039 11.611,1040 0.384,1041 18.334,1042 9.28,1043 13.646,1044 1.178,1045 16.885,1046 3.031,1047 10.719,1048 13.275,1049 2.35,1050 20.9,1051 10.559,1052 3.434,1053 1.067,1054 18.763,1055 2.78,1056 11.786,1057 14.663,1058 0.351,1059 23.313,1060 11.617,1061 3.219,1062 12.678,1063 20.654,1064 2.716,1065 13.01,1066 16.244,1067 2.642,1068 25.836,1069 12.829,1070 2.969,1071 11.457,1072 22.557,1073 4.717,1074 14.153,1075 17.715,1076 0.312,1077 28.306,1078 13.964,1079 2.704,1080 10.363,1081 24.468,1082 4.604,1083 15.357,1084 19.266,1085 2.962,1086 30.819,1087 15.159,1088 2.495,1089 8.5,1090 26.386,1091 3.945,1092 16.535,1093 20.774,1094 0.273,1095 33.314,1096 16.329,1097 2.217,1098 7.686,1099 28.31,1100 3.457,1101 17.737,1102 22.314,1103 3.298,1104 35.828,1105 17.523,1106 2.125,1107 7.198,1108 30.239,1109 3.016,1110 18.931,1111 23.838,1112 0.236,1113 38.337,1114 18.711,1115 22801,1116 35103,1117 31.035,1118 47.074,1119 70.136,1120 71.333,1121 71.263,1122 69.338,1123 69.375,1124 92.678,1125 6.178,1126 209.407,1127 67.753,1128 5.828,1129 5.839,1130 6.994,1131 5.47,1132 5.434,1133 7.717,1134 2.4,1135 20.534,1136 5.407,1137 14.388,1138 1.559,1139 1.585,1140 1.584,1141 1.541,1142 1.542,1143 2.06,1144 0.137,1145 4.653,1146 1.506,1147 4.212,1148 4.241,1149 4.181,1150 4.13,1151 7.45,1152 4.139,1153 4.102,1154 4.137,1155 4.065,1156 4.016,1157 7.408,1158 4.024,1159 3.908,1160 3.958,1161 3.835,1162 3.787,1163 4.962,1164 3.792,1165 3.782,1166 3.822,1167 3.743,1168 3.645,1169 4.892,1170 3.658,1171 3.738,1172 3.773,1173 3.637,1174 3.615,1175 4.881,1176 3.616,1177 3.444,1178 3.511,1179 3.33,1180 3.292,1181 4.356,1182 3.294,1183 3.383,1184 3.446,1185 3.287,1186 3.213,1187 4.317,1188 3.226,1189 3.17,1190 3.235,1191 3.04,1192 3.03,1193 4.214,1194 3.023,1195 0.107,1196 0.085,1197 0.16,1198 0.098,1199 0.076,1200 4.828,1201 0.105,1202 3.839,1203 0.027,1204 7.192,1205 0.282,1206 4.426,1207 0.076,1208 3.434,1209 4.717,1210 1.2,1211 12.678,1212 3.407,1213 1.968,1214 1.948,1215 2.083,1216 2.091,1217 1.434,1218 2.092,1219 1.94,1220 1.911,1221 2.038,1222 2.027,1223 1.2,1224 2.031,1225 1.877,1226 1.833,1227 2.005,1228 1.995,1229 1.146,1230 1.999,1231 1.797,1232 1.755,1233 1.938,1234 1.926,1235 1.044,1236 1.933,1237 1.681,1238 1.645,1239 1.798,1240 1.827,1241 0.946,1242 1.822,1243 1.492,1244 1.44,1245 1.654,1246 1.69,1247 0.825,1248 1.677,1249 1.299,1250 1.245,1251 1.513,1252 1.594,1253 0.794,1254 1.535,1255 1.26,1256 1.213,1257 1.506,1258 1.492,1259 0.691,1260 1.494,1261 4.511,1263 5.872,1264 3.434,1265 7.431,1266 5.938,1267 9.078,1268 8.138,1269 10.775,1271 1.965,1277 4.823,1278 2.587,1281 0.311,1282 2.454,1289 44.858,1290 99.456,1291 249.288,1292 317.529,1293 351.583,1294 367.193,1295 375.193,1296 63.491,1297 9.417,1298 75.92,1299 75.92,1300 39,1301 13.309,1302 4.907,1303 4.087,1304 50.379,1305 178,1306 229,1307 0.135,1308 266.952,1309 456.76,1310 643.123,1311 199345,1313 26.509,1314 0.68,1315 0.559,1316 26.509,1317 21.801,1318 19.081,1319 0.424,1320 0.299,1321 13.3,1322 18.516,1323 13.005,1324 10.704,1325 19.081,1326 13.449,1327 17.53,1328 0.266,1329 0.159,1330 17.53,1331 10.5,1332 15.698,1333 0.164,1334 0.085,1335 15.698,1336 8.17,1337 14.368,1338 0.103,1339 0.045,1340 14.368,1341 6.292,1342 12.105,1343 0.065,1344 0.025,1345 12.105,1346 4.594,1347 0.211,1348 118.309,1349 0.18,1350 34.804,1351 0.375,1352 222,1353 560.384,1354 237.114,1355 552.222,1356 777.99,1357 520,1358 273,1359 592.442,1360 289.671,1361 604.965,1362 899.54,1363 572,1364 5}
{0 CHEMBL301018,1 1.868,2 9.217,3 4.315,4 18.615,5 85.58,6 9.271,7 0.68,8 3.723,9 3.814,10 3.465,11 3.255,12 4.98,13 3.277,14 4.2,15 4.336,16 3.829,17 3.595,18 5.449,19 3.615,20 4.333,21 4.456,22 3.999,23 3.709,24 5.706,25 3.723,26 4.392,27 4.556,28 3.821,29 3.673,30 5.598,31 3.649,32 4.427,33 4.625,34 3.688,35 3.647,36 5.552,37 3.592,38 4.311,39 4.502,40 3.663,41 3.588,42 5.464,43 3.531,44 4.296,45 4.524,46 3.586,47 3.495,48 5.443,49 3.421,50 4.083,51 4.292,52 3.447,53 3.225,54 5.312,55 3.171,56 0.136,57 0.578,58 4.562,59 3.032,60 5.928,61 3.15,62 0.412,63 0.873,64 11.29,65 4.974,66 25.786,67 5.057,68 0.548,69 1.012,70 13.664,71 5.634,72 39.738,73 5.594,74 0.507,75 1.016,76 14.871,77 6.02,78 35.118,79 6.599,80 0.653,81 0.951,82 19.374,83 6.534,84 42.491,85 7.845,86 0.46,87 0.904,88 14.255,89 5.867,90 32.909,91 7.095,92 0.481,93 0.869,94 16.512,95 5.7,96 37.072,97 7.032,98 0.427,99 0.676,100 16.284,101 4.888,102 30.774,103 5.54,104 21,105 35,106 0.337,107 0.679,108 0.767,109 0.836,110 0.846,111 0.856,112 3.189,113 0.85,114 -4.72,115 -4.63,116 -4.36,118 44.4,123 2,138 5,139 1,140 5,142 1,143 1,144 1,167 2,170 1,171 5,173 1,175 3,178 3,181 1,182 5,186 2,188 3,191 1,192 4,195 1,197 2,199 3,203 2,204 1,206 1,211 3,214 1,215 3,218 1,223 4,228 3,235 2,240 4,247 1,252 2,264 702,265 15.618,266 15.618,267 15.618,268 15.618,269 15.618,270 13.53,271 18.904,272 9.02,273 16.316,274 12.192,275 12.192,276 12.192,277 12.192,278 12.192,279 8.979,280 27.627,281 4.095,282 13.215,283 3.302,284 1.406,285 0.92,286 0.542,287 0.486,288 0.431,289 3.869,290 1,293 1,294 1,295 447,296 2.646,300 179.522,304 95.278,307 1.376,308 27.16,310 1,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 51.333,320 212,321 4.575,322 3.317,323 6.585,324 4.098,325 3.134,326 4.513,327 0.86,328 10.528,329 3.022,330 4.218,331 3.274,332 6.047,333 3.759,334 2.834,335 3.872,336 0.86,337 8.692,338 2.605,339 3.985,340 2.934,341 5.945,342 3.562,343 2.637,344 3.49,345 0.4,346 8.288,347 2.424,348 3.566,349 2.467,350 5.36,351 3.152,352 2.224,353 2.924,355 6.766,356 2.03,357 3.332,358 2.225,359 5.009,360 2.854,361 1.907,362 2.672,364 5.743,365 1.795,366 2.998,367 2.122,368 4.484,369 2.504,370 1.587,371 2.22,373 4.361,374 1.45,375 2.82,376 1.888,377 4.041,378 2.319,379 1.414,380 1.949,382 3.523,383 1.217,384 2.692,385 1.47,386 3.886,387 2.239,388 1.347,389 1.751,391 3.079,392 1.196,393 1.901,394 1,395 3.234,396 1.568,397 0.67,398 0.8,400 1.43,401 0.596,402 1.556,403 0.963,404 2.875,405 1.224,406 0.375,407 0.412,409 0.603,410 0.315,411 1.492,412 0.744,413 2.772,414 1.148,415 0.273,416 0.331,417 0.502,418 0.226,419 1.184,420 0.28,421 2.416,422 0.751,423 -0.103,424 -0.127,425 -0.229,426 -0.081,427 0.912,428 -0.027,429 2.38,430 0.458,431 -0.453,432 -0.576,433 -0.915,434 -0.388,435 0.829,436 -0.196,437 2.337,438 0.36,439 -0.528,440 -0.696,441 -1.38,442 -0.438,443 0.624,444 -0.441,445 2.228,446 0.166,447 -0.768,448 -1.009,449 -2.091,450 -0.679,451 10.867,452 0.472,453 0.554,454 0.024,455 33,456 1.435,457 17.5,458 0.761,459 15.5,460 0.674,461 15.453,462 0.672,463 24.533,464 0.681,465 23.629,466 1.027,467 6.848,468 0.298,469 4.269,470 0.186,471 0.184,473 0.368,477 1,478 0.754,479 1.148,480 0.546,481 0.996,482 0.6,483 0.854,484 1.073,485 0.869,486 0.652,487 0.673,488 0.739,489 0.644,490 0.977,491 1.241,492 0.896,493 1.068,494 0.9,495 0.969,496 0.937,497 1.067,498 0.951,499 1.125,500 0.876,501 1.144,502 0.778,503 0.658,504 0.938,505 0.867,506 0.525,507 0.973,508 0.665,509 0.941,510 0.77,511 1.017,512 0.643,513 1.089,514 0.787,515 0.768,516 0.853,517 0.817,518 0.658,519 0.927,520 1.166,521 1.021,522 1.262,523 1.073,524 1.052,525 1.018,526 5,527 0.095,528 2.889,529 1.5,530 1.711,531 0.674,532 0.504,533 0.398,534 0.238,535 0.157,536 5185,537 19433,538 2.041,539 36.1,541 11,543 1,544 1,549 1.66,550 1.89,551 3.202,552 -0.241,554 1,558 67.257,559 1.868,560 3.764,561 4.25,562 4.628,563 4.684,564 4.739,565 2.682,566 4.089,567 4.495,568 3.305,569 836.185,570 7.754,571 9319.94,573 1,575 1,576 186.117,577 1.478,578 4.443,579 0.2,580 0.012,581 0.083,582 0.039,583 0.053,584 0.023,585 0.019,586 0.017,587 0.013,588 0.012,589 0.472,590 0.33,591 1,592 0.942,593 106.485,594 -0.077,595 -0.173,596 0.018,597 -0.103,598 -0.073,599 -0.025,600 -0.153,601 0.067,602 0.079,603 0.239,604 -0.04,605 0.23,606 -0.005,607 -0.172,608 -0.041,609 -0.139,610 0.049,611 -0.118,612 -0.083,613 -0.11,614 -0.143,615 -0.214,616 -0.115,617 -0.239,618 0.032,619 0.111,620 -0.061,621 0.066,622 0.016,623 0.015,624 0.056,625 -0.072,626 0.012,627 -0.087,629 -0.108,630 -0.029,631 0.077,632 0.092,633 0.127,634 0.038,635 0.098,636 -0.123,637 -0.115,638 -0.004,639 -0.053,640 -0.013,641 0.016,642 2.142,643 5.257,644 0.696,645 17.505,646 1.031,647 1.13,648 3.489,649 12.174,650 0.702,651 3.258,652 3.584,653 3.871,654 4.111,655 4.382,656 4.443,657 4.522,658 4.615,659 4.691,660 4.635,661 5.436,662 0.691,663 333.77,664 3.258,665 4.796,666 5.652,667 6.532,668 7.408,669 8.293,670 9.174,671 10.061,672 10.945,673 11.834,674 8.3,682 1,684 2,689 2,690 6,691 2,695 6,697 17,709 1,714 2,715 2,716 36,718 17,719 2,720 25,722 38,723 16,724 14,725 7,726 5,728 3,729 4,730 1,740 14,741 2,757 1,758 1,760 13,761 6,762 1,763 7,764 1,769 3,775 0.667,776 2,788 1,794 3,798 1,819 2,823 2,824 1,825 1,827 23,834 1,835 2,849 2,850 5.6,855 2,858 12.167,859 7.269,860 5.194,861 1.874,863 3.399,864 1.482,865 0.985,866 4.504,867 10.45,868 3.541,869 4.205,870 4.838,871 5.443,872 6.072,873 6.377,874 6.745,875 7.165,876 7.576,877 7.713,878 1,879 38,880 8.427,881 3.542,882 7.976,883 15.557,884 12.212,885 2.476,886 56.944,890 141.253,891 110.676,892 51.582,893 39.149,894 22,895 14.96,897 110.676,898 202.402,899 66.542,900 21.766,902 47.381,903 45.342,904 79.211,905 17.288,906 129.482,907 39.149,908 141.253,909 162.258,910 36.96,911 39.149,913 156.213,914 22,917 28.773,918 99.913,919 72.72,921 156.213,922 73.582,923 149.825,926 141.253,927 32.91,928 77.766,929 18.011,930 109.68,931 141.253,932 88.542,933 149.825,935 0.579,936 0.355,937 0.188,938 0.106,939 17,940 8,941 0.105,942 4,943 1,944 1.125,945 3.428,946 184.989,947 0.125,948 16,949 104.042,954 15.779,955 6.565,956 3.161,957 1.43,958 88.542,959 9.334,960 8.456,964 1.873,966 18.011,967 379.62,968 33.5,980 37.098,981 40.689,983 0.361,984 0.728,985 0.822,986 0.895,987 0.906,988 0.917,989 4.764,990 1.347,991 5.645,992 3.523,993 4.263,994 4.89,995 1.454,996 6.466,997 4.115,998 5.997,999 0.67,1000 7.216,1001 3.079,1002 3.892,1003 4.808,1005 7.38,1006 3.66,1007 7.325,1008 0.375,1009 8.883,1010 1.43,1011 5.872,1012 7.192,1013 1.175,1014 10.46,1015 5.62,1016 8.689,1017 0.273,1018 10.604,1019 0.603,1020 6.293,1021 7.903,1023 12.157,1024 5.958,1025 10.082,1026 -0.103,1027 12.358,1028 0.502,1029 7.752,1030 9.777,1031 0.966,1032 14.759,1033 7.406,1034 11.496,1035 -0.453,1036 14.135,1037 -0.229,1038 8.539,1039 10.872,1041 16.797,1042 8.122,1043 12.925,1044 -0.528,1045 15.928,1046 -0.915,1047 9.789,1048 12.53,1049 0.788,1050 19.227,1051 9.357,1052 3.134,1053 -0.768,1054 17.733,1055 -1.38,1056 10.749,1057 13.821,1059 21.423,1060 10.261,1061 2.834,1062 10.528,1063 19.548,1064 -2.091,1065 11.914,1066 15.383,1067 0.634,1068 23.79,1069 11.405,1070 2.637,1071 8.692,1072 21.371,1073 4.513,1074 12.956,1075 16.775,1077 26.062,1078 12.403,1079 2.224,1080 8.288,1081 23.2,1082 3.872,1083 14.088,1084 18.295,1085 0.504,1086 28.409,1087 13.512,1088 1.907,1089 6.766,1090 25.034,1091 3.49,1092 15.17,1093 19.739,1095 30.719,1096 14.557,1097 1.587,1098 5.743,1099 26.873,1100 2.924,1101 16.292,1102 21.243,1103 0.395,1104 33.061,1105 15.653,1106 1.414,1107 4.361,1108 28.717,1109 2.672,1110 17.395,1111 22.714,1113 35.39,1114 16.723,1115 5147,1116 10088,1117 16.414,1118 25.29,1119 36.791,1120 38.375,1121 38.933,1122 36.876,1123 36.807,1124 49.866,1125 4.24,1126 107.027,1127 33.751,1128 5.338,1129 5.317,1130 6.131,1131 5.174,1132 5.134,1133 7.513,1134 1.72,1135 17.463,1136 5.022,1137 12.191,1138 1.472,1139 1.535,1140 1.557,1141 1.475,1142 1.472,1143 1.995,1144 0.17,1145 4.281,1146 1.35,1147 4.075,1148 4.102,1149 4.07,1150 3.974,1151 8.201,1152 3.989,1153 3.888,1154 3.909,1155 3.979,1156 3.819,1157 5.105,1158 3.819,1159 3.506,1160 3.542,1161 3.475,1162 3.276,1163 4.862,1164 3.315,1165 3.254,1166 3.319,1167 3.314,1168 2.978,1169 4.767,1170 2.994,1171 3.122,1172 3.2,1173 3.081,1174 2.882,1175 4.499,1176 2.892,1177 3.061,1178 3.142,1179 2.972,1180 2.831,1181 4.368,1182 2.828,1183 2.878,1184 2.922,1185 2.881,1186 2.791,1187 4.077,1188 2.766,1189 2.841,1190 2.898,1191 2.74,1192 2.696,1193 3.99,1194 2.694,1195 0.183,1196 0.133,1197 0.263,1198 0.164,1199 0.125,1200 4.575,1201 0.181,1202 3.317,1203 0.034,1204 6.585,1205 0.421,1206 4.098,1207 0.121,1208 3.134,1209 4.513,1210 0.86,1211 10.528,1212 3.022,1213 2.004,1214 1.983,1215 2.054,1216 2.125,1217 1.181,1218 2.105,1219 1.854,1220 1.835,1221 1.923,1222 1.947,1223 1.033,1224 1.946,1225 1.391,1226 1.353,1227 1.607,1228 1.663,1229 0.599,1230 1.638,1231 1.195,1232 1.122,1233 1.576,1234 1.525,1235 0.575,1236 1.54,1237 1.082,1238 0.994,1239 1.356,1240 1.343,1241 0.376,1242 1.362,1243 1,1244 0.931,1245 1.19,1246 1.247,1247 0.208,1248 1.23,1249 0.868,1250 0.824,1251 1.1,1252 1.02,1253 0.171,1254 1.059,1255 0.808,1256 0.76,1257 0.98,1258 0.989,1259 0.045,1260 1.004,1261 3.932,1263 5.252,1265 6.786,1267 8.416,1269 10.095,1271 3.116,1272 5.801,1273 13.257,1278 3.105,1279 10.572,1289 24.865,1290 67.257,1291 135.488,1292 152.998,1293 166.608,1294 168.608,1295 170.608,1296 37.562,1297 7.051,1298 56.27,1299 56.27,1300 18,1301 12.365,1302 4.17,1303 3.248,1304 36.732,1305 74,1306 74,1307 0.247,1308 156.555,1309 266.32,1310 373.754,1311 9920,1312 5.6,1313 16.397,1314 0.713,1315 0.573,1316 16.027,1317 13.187,1318 11.118,1319 0.445,1320 0.283,1321 6.581,1322 10.218,1323 6.366,1324 5.299,1325 10.996,1326 7.087,1327 9.792,1328 0.28,1329 0.146,1330 9.705,1331 5.108,1332 8.6,1333 0.183,1334 0.077,1335 8.2,1336 3.613,1337 6.85,1338 0.114,1339 0.04,1340 7.02,1341 2.374,1342 5.77,1343 0.073,1344 0.02,1345 5.679,1346 1.587,1347 0.378,1348 74.295,1349 0.247,1350 22.255,1351 0.702,1352 120,1353 469.409,1354 150.713,1355 449.652,1356 594.5,1357 420,1358 142,1359 405.47,1360 170.257,1361 415.976,1362 606.42,1363 387,1364 6.319}
{0 CHEMBL31965,1 1.772,2 13.382,3 4.038,4 16.303,5 128.881,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.727,15 4.89,16 4.185,17 4.051,18 5.872,19 4.039,20 4.974,21 5.173,22 4.295,23 4.187,24 6.14,25 4.149,26 4.987,27 5.209,28 4.153,29 4.174,30 6.024,31 4.1,32 4.981,33 5.213,34 4.15,35 4.173,36 6.025,37 4.098,38 4.966,39 5.177,40 4.196,41 4.161,42 6.05,43 4.111,44 4.953,45 5.157,46 4.23,47 4.162,48 6.137,49 4.106,50 4.887,51 5.09,52 4.185,53 4.122,54 6.058,55 4.065,56 0.126,57 0.934,58 10.471,59 5.109,60 13.648,61 6.243,62 0.499,63 1.442,64 22.228,65 8.341,66 37.702,67 10.315,68 0.855,69 1.704,70 34.269,71 10.812,72 80.994,73 13.657,74 0.767,75 1.674,76 34.53,77 11.419,78 69.915,79 15.23,80 0.746,81 1.619,82 35.318,83 11.901,84 69.817,85 16.304,86 0.759,87 1.615,88 32.606,89 10.923,90 68.483,91 14.343,92 0.913,93 1.625,94 32.179,95 10.748,96 81.979,97 14.076,98 0.567,99 1.61,100 30.95,101 10.087,102 61.965,103 13.165,104 20,105 50,106 0.287,107 0.648,108 0.808,109 0.875,110 0.875,111 0.875,112 3.56,113 0.915,114 -4.06,115 -4.01,116 -3.8,118 40.7,120 1,124 6,131 1,132 1,138 5,139 1,140 5,142 1,143 1,144 1,153 1,167 3,170 1,171 7,173 2,175 5,178 3,181 1,182 4,184 1,186 5,188 3,191 2,192 5,195 1,197 2,199 5,203 1,204 5,206 2,207 1,208 1,211 7,214 1,215 6,218 1,223 7,227 3,228 5,231 2,233 3,235 3,239 1,240 7,245 3,247 2,251 1,252 5,257 1,260 2,264 2324,265 23.162,266 23.162,267 23.162,268 23.162,269 23.162,270 20.866,271 31.688,272 13.905,273 23.947,274 18.231,275 18.231,276 18.231,277 18.231,278 18.231,279 14.648,280 45.905,281 6.598,282 19.543,283 4.11,284 1.881,285 0.892,286 0.475,287 0.475,288 0.475,289 4.258,290 1,294 1,295 975,296 3.808,300 419.253,304 162.198,307 2.369,308 42.335,311 1,312 0.83,313 0.83,314 0.8,315 0.5,316 1,317 1,318 0.85,319 75.333,320 455,321 4.578,322 3.49,323 6.588,324 4.109,325 3.141,326 4.514,327 1.058,328 10.55,329 3.039,330 4.219,331 3.311,332 6.08,333 3.767,334 2.839,335 3.872,336 0.86,337 8.858,338 2.628,339 4.026,340 3.2,341 5.947,342 3.624,343 2.682,344 3.519,345 0.86,346 8.306,347 2.514,348 3.662,349 2.907,350 5.367,351 3.437,352 2.521,353 2.973,354 0.8,355 6.965,356 2.307,357 3.536,358 2.874,359 5.34,360 3.273,361 2.296,362 2.822,363 0.4,364 6.809,365 2.234,366 3.518,367 2.464,368 5.068,369 3.124,370 2.174,371 2.647,373 6.047,374 2.017,375 3.314,376 2.186,377 4.926,378 2.828,379 1.867,380 2.521,382 5.516,383 1.782,384 3.009,385 2.125,386 4.446,387 2.618,388 1.693,389 2.227,391 4.366,392 1.555,393 2.82,394 2.062,395 4.041,396 2.447,397 1.533,398 1.948,400 3.523,401 1.4,402 2.725,403 1.929,404 3.907,405 2.319,406 1.414,407 1.765,409 3.368,410 1.217,411 2.575,412 1.494,413 3.697,414 2.251,415 1.356,416 1.58,417 3.08,418 1.203,419 2.308,420 1.342,421 3.457,422 2.085,423 1.154,424 1.296,425 2.637,426 1.064,427 2.199,428 1.256,429 3.247,430 1.952,431 1,432 1,433 2.136,434 0.946,435 2,436 0.868,437 3.194,438 1.503,439 0.571,440 0.716,441 1.385,442 0.527,443 1.723,444 0.794,445 2.905,446 1.345,447 0.383,448 0.507,449 0.771,450 0.363,451 16,452 0.471,453 0.729,454 0.021,455 43.5,456 1.279,457 20.5,458 0.603,459 23,460 0.676,461 29.189,462 0.859,463 37.4,464 0.634,465 36.241,466 1.066,467 8.856,468 0.26,469 7.673,470 0.226,471 0.115,473 0.306,477 1,478 0.748,479 1.32,480 0.63,481 1.102,482 0.586,483 0.954,484 1.008,485 1.076,486 0.783,487 0.934,488 0.635,489 0.91,490 1.065,491 1.051,492 0.919,493 0.94,494 0.822,495 0.936,496 0.86,497 0.942,498 0.885,499 0.975,500 0.793,501 1.005,502 0.607,503 0.749,504 0.766,505 0.917,506 0.512,507 0.902,508 0.95,509 0.909,510 0.777,511 0.895,512 0.762,513 0.912,514 0.889,515 0.869,516 0.835,517 0.847,518 0.801,519 0.917,520 0.923,521 1.137,522 1.037,523 1.107,524 0.996,525 1.072,526 6.5,527 0.252,528 3.333,529 1.688,530 1.942,531 0.847,532 0.889,533 0.628,534 0.447,535 0.319,536 17155,537 54173,538 2.077,539 42.4,541 20,543 1,544 2,547 2,549 1.763,550 1.962,551 3.68,552 0.235,558 104.576,559 1.772,560 4.002,561 4.991,562 5.408,563 5.408,564 5.408,565 3.253,566 4.771,567 5.051,568 3.881,569 2176.99,570 8.882,571 34026.1,576 347.076,577 1.333,578 5.026,579 0.176,580 0.007,581 0.067,582 0.032,583 0.042,584 0.018,585 0.018,586 0.013,587 0.01,588 0.008,589 0.39,590 0.33,591 0.88,592 0.962,593 183.346,594 -0.062,595 -0.212,596 0.03,597 -0.1,598 -0.042,599 -0.021,600 -0.092,601 -0.051,602 0.002,603 0.018,604 0.023,605 0.01,606 -0.06,607 -0.05,608 0.006,609 0.02,610 0.057,611 0.012,612 -0.019,613 -0.011,614 -0.01,615 -0.013,616 -0.027,617 -0.02,618 0.126,619 0.083,620 0.111,621 0.054,622 0.107,623 0.112,624 -0.047,625 -0.014,626 0.05,627 0.055,628 -0.035,629 0.058,630 0.054,631 0.037,632 0.044,633 0.105,634 0.051,635 0.041,636 -0.084,637 -0.148,638 -0.064,639 -0.132,640 -0.047,641 -0.106,642 2.176,643 5.52,644 0.647,645 43.765,646 1.018,647 1.135,648 2.83,649 8.01,650 0.671,651 3.638,652 3.932,653 4.174,654 4.407,655 4.682,656 4.745,657 4.898,658 5.056,659 5.176,660 5.231,661 7.881,662 0.648,663 485.99,664 3.638,665 5.165,666 5.999,667 6.86,668 7.715,669 8.584,670 9.45,671 10.325,672 11.197,673 12.077,674 8.5,677 1,681 1,682 1,684 2,689 2,690 6,691 2,695 6,697 17,709 1,714 1,715 2,716 59,718 19,719 2,720 37,722 62,723 24,724 14,725 7,726 5,727 3,728 4,729 5,730 1,738 1,740 17,741 7,744 2,745 1,749 1,751 1,753 1,758 1,760 25,761 9,762 2,763 10,764 1,769 5,775 0.75,776 3,788 1,794 4,798 1,807 1,810 1,811 1,816 1,818 1,819 3,824 1,825 1,827 34,833 7,834 2,835 2,838 1,849 2,850 5.1,853 1,854 1,855 1,858 17.333,859 10.469,860 7.611,861 3.466,863 3.428,864 1.428,865 0.979,866 8.298,867 11.435,868 3.882,869 4.443,870 4.999,871 5.558,872 6.177,873 6.501,874 6.928,875 7.391,876 7.808,877 8.012,878 1,879 52,880 12.575,881 5.326,882 7.9,883 23.634,884 18.979,885 2.4,886 81.611,890 270.735,891 139,892 72.717,893 39.149,894 47.145,895 14.96,897 139,898 357.029,899 87.677,901 56.406,902 56.857,903 86.192,904 68.849,905 17.288,906 258.964,907 39.149,908 270.735,909 211.717,910 62.105,911 39.149,913 262.153,914 59.687,915 11,917 72.537,918 96.132,919 82.196,921 285.695,922 119.862,923 178.149,926 270.735,927 57.757,928 68.6,929 36.022,930 150.591,931 270.735,932 134.822,933 178.149,935 0.572,936 0.33,937 0.17,938 0.099,939 22,940 10,941 0.145,942 9,943 1,944 1.091,945 4.516,946 309.677,947 0.091,948 22,949 168.974,954 24.361,955 11.581,956 6.435,957 1.258,958 134.822,959 9.208,960 8.649,964 1.49,966 36.022,967 583.706,968 47.5,969 3.516,973 12.051,975 1.188,977 -0.366,980 60.047,981 66.971,983 0.301,984 0.68,985 0.848,986 0.919,987 0.919,988 0.919,989 5.107,990 1.693,991 5.964,992 5.516,993 4.615,994 5.13,995 2.012,996 6.732,997 4.485,998 6.29,999 1.533,1000 7.495,1001 4.366,1002 4.111,1003 4.945,1004 0.325,1005 7.535,1006 3.918,1007 7.583,1008 1.414,1009 9.125,1010 3.523,1011 6.168,1012 7.319,1013 1.826,1014 10.626,1015 5.935,1016 8.912,1017 1.356,1018 10.813,1019 3.368,1020 6.479,1021 7.982,1022 0.268,1023 12.263,1024 6.191,1025 10.276,1026 1.154,1027 12.54,1028 3.08,1029 7.986,1030 9.841,1031 1.742,1032 14.865,1033 7.661,1034 11.663,1035 1,1036 14.293,1037 2.637,1038 8.694,1039 10.914,1040 0.188,1041 16.873,1042 8.322,1043 13.07,1044 0.571,1045 16.065,1046 2.136,1047 9.967,1048 12.562,1049 1.707,1050 19.301,1051 9.561,1052 3.141,1053 0.383,1054 17.853,1055 1.385,1056 10.877,1057 13.844,1058 0.125,1059 21.484,1060 10.432,1061 2.839,1062 10.55,1063 19.653,1064 0.771,1065 12.05,1066 15.4,1067 1.708,1068 23.849,1069 11.573,1070 2.682,1071 8.858,1072 21.463,1073 4.514,1074 13.062,1075 16.788,1076 0.082,1077 26.115,1078 12.553,1079 2.521,1080 8.306,1081 23.281,1082 3.872,1083 14.195,1084 18.306,1085 1.735,1086 28.461,1087 13.656,1088 2.296,1089 6.965,1090 25.106,1091 3.519,1092 15.26,1093 19.748,1094 0.054,1095 30.768,1096 14.692,1097 2.174,1098 6.809,1099 26.938,1100 2.973,1101 16.38,1102 21.251,1103 1.783,1104 33.11,1105 15.785,1106 1.867,1107 6.047,1108 28.775,1109 2.822,1110 17.473,1111 22.721,1112 0.035,1113 35.438,1114 16.851,1115 16431,1116 29467,1117 24.849,1118 39.563,1119 54.543,1120 56.393,1121 55.64,1122 54.075,1123 53.92,1124 68.647,1125 7.957,1126 149.9,1127 50.172,1128 5.578,1129 5.49,1130 6.39,1131 5.212,1132 5.141,1133 7.514,1134 2.117,1135 17.491,1136 5.039,1137 16.082,1138 1.474,1139 1.524,1140 1.504,1141 1.461,1142 1.457,1143 1.855,1144 0.215,1145 4.051,1146 1.356,1147 4.085,1148 4.116,1149 4.077,1150 3.984,1151 8.201,1152 3.998,1153 3.89,1154 3.912,1155 3.982,1156 3.82,1157 7.43,1158 3.82,1159 3.821,1160 3.884,1161 3.698,1162 3.61,1163 5.088,1164 3.621,1165 3.643,1166 3.683,1167 3.588,1168 3.462,1169 4.858,1170 3.481,1171 3.539,1172 3.588,1173 3.433,1174 3.341,1175 4.692,1176 3.348,1177 3.366,1178 3.423,1179 3.333,1180 3.198,1181 4.638,1182 3.21,1183 3.118,1184 3.206,1185 3.237,1186 2.941,1187 4.619,1188 2.945,1189 3.111,1190 3.185,1191 3.013,1192 2.926,1193 4.368,1194 2.91,1195 0.124,1196 0.094,1197 0.178,1198 0.111,1199 0.085,1200 4.578,1201 0.122,1202 3.49,1203 0.029,1204 6.588,1205 0.285,1206 4.109,1207 0.082,1208 3.141,1209 4.514,1210 1.058,1211 10.55,1212 3.039,1213 2.013,1214 1.989,1215 2.064,1216 2.132,1217 1.292,1218 2.113,1219 1.856,1220 1.836,1221 1.976,1222 1.993,1223 1.193,1224 1.991,1225 1.754,1226 1.691,1227 1.925,1228 1.949,1229 1.069,1230 1.948,1231 1.57,1232 1.53,1233 1.776,1234 1.776,1235 1.033,1236 1.761,1237 1.504,1238 1.449,1239 1.744,1240 1.733,1241 0.825,1242 1.744,1243 1.313,1244 1.26,1245 1.513,1246 1.518,1247 0.566,1248 1.509,1249 1.153,1250 1.064,1251 1.445,1252 1.376,1253 0.499,1254 1.429,1255 1.041,1256 0.983,1257 1.27,1258 1.286,1259 0.396,1260 1.276,1261 4.317,1263 5.617,1265 7.112,1267 8.701,1269 10.342,1272 5.897,1273 13.52,1277 5.554,1278 5.913,1279 11.398,1282 2.334,1289 38.257,1290 104.576,1291 236.124,1292 294.447,1293 319.076,1294 319.076,1295 319.076,1296 70.861,1297 8.007,1298 88.61,1299 88.61,1300 24,1301 12.615,1302 4.322,1303 3.524,1304 56.733,1305 157,1306 178,1307 0.172,1308 237.63,1309 417.87,1310 571.578,1311 36201,1312 3.4,1313 23.916,1314 0.703,1315 0.567,1316 23.545,1317 19.277,1318 16.529,1319 0.447,1320 0.305,1321 10.725,1322 15.417,1323 10.537,1324 8.646,1325 16.407,1326 11.282,1327 14.513,1328 0.29,1329 0.162,1330 14.426,1331 8.098,1332 12.115,1333 0.189,1334 0.088,1335 11.715,1336 5.632,1337 9.491,1338 0.117,1339 0.047,1340 9.661,1341 3.771,1342 8.113,1343 0.076,1344 0.024,1345 8.022,1346 2.575,1347 0.271,1348 108.039,1349 0.201,1350 31.727,1351 0.466,1352 174,1353 619.122,1354 211.728,1355 590.4,1356 780.17,1357 552,1358 201,1359 533.473,1360 235.802,1361 539.07,1362 789.08,1363 507,1364 5.523}
{0 CHEMBL360190,1 1.838,2 15.36,3 7.135,4 50.905,5 198.749,6 12.345,7 0.444,8 4.459,9 4.531,10 4.439,11 4.072,12 5.767,13 4.059,14 4.909,15 5.009,16 4.899,17 4.476,18 6.152,19 4.437,20 5.238,21 5.356,22 5.213,23 4.654,24 6.564,25 4.605,26 5.346,27 5.495,28 5.169,29 4.682,30 6.661,31 4.612,32 5.352,33 5.509,34 5.116,35 4.729,36 6.586,37 4.65,38 5.399,39 5.53,40 5.371,41 4.769,42 6.739,43 4.712,44 5.431,45 5.577,46 5.711,47 4.825,48 6.758,49 4.722,50 5.375,51 5.529,52 5.141,53 4.742,54 6.692,55 4.638,56 0.415,57 0.976,58 2.767,59 6.344,60 42.1,61 5.969,62 0.552,63 1.527,64 6.89,65 10.856,66 45.505,67 11.078,68 1.289,69 2.015,70 43.051,71 17.223,72 102.651,73 15.849,74 1.643,75 2.206,76 53.866,77 19.828,78 189.586,79 18.221,80 1.324,81 2.279,82 87.558,83 21.062,84 121.258,85 19.585,86 1.621,87 2.307,88 57.445,89 20.458,90 154.162,91 17.413,92 1.836,93 2.321,94 137.521,95 24.657,96 181.672,97 22.298,98 1.628,99 2.27,100 104.428,101 22.902,102 152.76,103 22.68,104 105,105 76,106 0.278,107 0.623,108 0.755,109 0.841,110 0.891,111 0.919,112 3.935,113 0.987,114 -3.77,115 -3.73,116 -3.54,117 4,118 44.7,120 3,124 1,132 1,134 1,138 10,139 4,140 10,151 2,153 2,163 2,167 14,171 6,173 2,175 2,178 18,181 2,182 12,184 4,186 12,188 10,192 16,195 2,196 2,197 10,199 10,204 11,208 13,211 10,214 1,215 9,218 1,220 12,223 18,227 2,228 7,231 4,232 1,233 8,235 32,239 2,240 4,243 3,244 2,245 7,247 18,251 2,252 9,255 1,257 7,260 20,264 1444,265 33.22,266 33.22,267 33.22,268 33.22,269 33.22,270 28.748,271 41.489,272 19.146,273 34.256,274 26.435,275 26.435,276 26.435,277 26.435,278 26.435,279 20.092,280 47.068,281 8.912,282 28.321,283 4.41,284 2.138,285 1.263,286 0.694,287 0.368,288 0.184,289 4.63,295 1642,296 3.317,300 391.677,307 0.992,308 73.614,311 0.25,312 0.33,313 0.5,314 0.1,316 0.33,317 0.5,318 0.29,319 109,320 768,321 4.418,322 3.867,323 6.409,324 3.992,325 3.059,326 4.099,327 1.893,328 9.784,329 2.865,330 4.41,331 3.866,332 6.406,333 3.975,334 3.049,335 4.095,336 1.893,337 9.765,338 2.817,339 4.25,340 3.422,341 6.096,342 3.856,343 2.888,344 3.886,345 1.058,346 8.877,347 2.801,348 4.224,349 3.42,350 6.055,351 3.769,352 2.83,353 3.88,354 1.058,355 8.7,356 2.688,357 4.119,358 3.386,359 6.04,360 3.75,361 2.776,362 3.47,363 0.86,364 8.628,365 2.627,366 4.082,367 3.384,368 5.999,369 3.662,370 2.714,371 3.451,372 0.86,373 8.45,374 2.533,375 3.648,376 3.189,377 5.284,378 3.272,379 2.302,380 2.987,381 0.61,382 6.763,383 2.216,384 3.54,385 3.178,386 5.257,387 3.187,388 2.233,389 2.845,390 0.61,391 6.584,392 2.125,393 3.523,394 2.695,395 5.24,396 3.165,397 2.188,398 2.834,400 6.554,401 2.08,402 3.466,403 2.637,404 5.213,405 3.091,406 2.124,407 2.766,409 6.387,410 2.012,411 3.258,412 2.565,413 5.017,414 2.773,415 1.907,416 2.505,417 5.614,418 1.554,419 3.242,420 2.556,421 5.014,422 2.767,423 1.897,424 2.488,425 5.603,426 1.546,427 2.98,428 2.482,429 4.197,430 2.474,431 1.519,432 2.007,433 3.78,434 1.44,435 2.934,436 2.308,437 4.176,438 2.473,439 1.518,440 1.95,441 3.754,442 1.437,443 2.82,444 1.903,445 4.144,446 2.313,447 1.414,448 1.947,449 3.653,450 1.177,451 26.6,452 0.532,453 1.397,454 0.028,455 64.5,456 1.29,457 33.5,458 0.67,459 31,460 0.62,461 63.929,462 1.279,463 50.8,464 0.668,465 57.952,466 1.159,467 12.444,468 0.249,469 11.504,470 0.23,471 0.276,473 0.338,478 0.837,479 0.932,480 0.48,481 0.603,482 0.792,483 0.674,484 0.699,485 1.094,486 0.583,487 0.769,488 0.558,489 0.843,490 0.854,491 1.053,492 0.873,493 1.025,494 0.757,495 1.022,496 1.099,497 1,498 0.817,499 0.868,500 1.067,501 0.96,502 1.095,503 1.029,504 1.098,505 1.01,506 0.963,507 0.996,508 1.232,509 1.03,510 0.989,511 0.976,512 1.278,513 0.971,514 0.882,515 0.958,516 0.979,517 0.995,518 1.073,519 0.989,520 0.696,521 1.088,522 1.21,523 1.21,524 0.646,525 1.189,526 12,527 0.648,528 6.222,529 4.125,530 3.396,531 2,532 1.951,533 1.149,534 0.97,535 0.646,536 44544,537 172783,538 2.015,539 34.2,541 13,542 1,544 6,545 4,546 2,549 1.858,550 1.852,551 3.915,552 2.796,558 139.657,559 1.838,560 4.11,561 4.985,562 5.554,563 5.88,564 6.064,565 2.117,566 3.8,567 5.64,568 3.965,569 4856.8,570 10.048,571 99448,576 474.842,577 1.516,578 5.555,579 0.222,580 0.007,581 0.082,582 0.048,583 0.041,584 0.023,585 0.021,586 0.013,587 0.012,588 0.008,589 0.477,590 0.33,591 0.5,592 0.763,593 298.911,594 -0.069,595 0.143,596 -0.009,597 0.101,598 -0.083,599 0.077,600 -0.001,601 -0.043,602 0.011,603 0.003,604 0.016,605 -0.008,606 0.084,607 -0.043,608 -0.022,609 -0.117,610 0.038,611 -0.111,612 -0.072,613 -0.01,614 -0.015,615 0.045,616 -0.043,617 0.001,618 -0.198,619 -0.012,620 -0.111,621 -0.031,622 -0.095,623 -0.008,624 -0.167,625 -0.023,626 -0.035,627 -0.015,628 -0.167,629 -0.036,630 0.105,631 -0.005,632 0.142,633 0.057,634 -0.021,635 0.035,636 0.153,637 -0.115,638 -0.127,639 -0.181,640 0.152,641 -0.159,642 2.332,643 5.923,644 0.76,645 26.086,646 1.032,647 1.111,648 2.535,649 6.427,650 0.75,651 4.007,652 4.344,653 4.595,654 4.796,655 5.017,656 5.112,657 5.215,658 5.352,659 5.485,660 5.521,661 9.081,662 0.72,663 938.24,664 4.007,665 5.565,666 6.412,667 7.284,668 8.144,669 9.017,670 9.88,671 10.754,672 11.62,673 12.494,674 5.3,681 2,683 2,690 10,695 14,697 24,713 2,714 2,715 4,716 76,718 29,719 4,720 54,721 4,722 80,723 34,724 24,725 14,726 10,727 6,728 5,729 20,735 3,738 3,740 30,741 4,744 5,749 2,751 2,752 2,753 4,760 26,761 12,762 6,763 16,764 4,769 4,775 0.2,776 8,794 4,804 2,807 2,811 1,817 2,819 1,822 4,827 50,832 4,833 4,834 2,835 2,849 4,850 10.5,852 2,853 2,855 4,858 27,859 13.438,860 11.056,861 4.131,863 5.394,864 1.553,865 0.949,866 13.311,867 15.143,868 4.277,869 4.89,870 5.416,871 5.904,872 6.418,873 6.655,874 6.944,875 7.341,876 7.709,877 7.966,878 0.286,879 86,880 18.539,881 8.068,882 8.04,883 33.984,884 27.492,885 2.54,886 127,890 235.422,891 183.855,892 246.333,894 243.268,897 367.671,898 478.69,899 62.516,901 54.778,902 104.239,903 150.579,904 180.042,905 11.771,906 223.651,907 183.816,908 235.422,909 246.371,910 243.268,912 183.816,913 211.88,914 266.81,917 72.226,918 164.669,919 9.476,920 183.816,921 235.422,922 305.784,923 367.671,926 235.422,927 70.569,928 113.286,929 219.838,930 269.763,931 235.422,932 305.784,933 367.671,935 0.587,936 0.35,937 0.176,938 0.094,939 33,940 18,943 38,944 2.105,945 5.325,946 550.209,947 2,948 4,949 282.193,954 38.173,955 17.436,956 9.843,958 305.784,959 16.493,964 4.824,966 207,967 908.877,968 71,973 25.819,975 3.02,976 6.386,977 -1.574,980 78.429,981 84.432,983 0.294,984 0.658,985 0.798,986 0.889,987 0.941,988 0.971,989 5.529,990 2.233,991 6.412,992 6.763,993 5.03,994 5.58,995 3.189,996 7.213,997 4.897,998 6.758,999 2.188,1000 7.977,1001 6.584,1002 4.691,1003 5.472,1005 8.069,1006 4.44,1007 8.078,1008 2.124,1009 9.634,1010 6.554,1011 6.635,1012 7.768,1013 4.096,1014 11.129,1015 6.404,1016 9.428,1017 1.907,1018 11.342,1019 6.387,1020 7.057,1021 8.407,1023 12.728,1024 6.709,1025 10.802,1026 1.897,1027 13.081,1028 5.614,1029 8.488,1030 10.209,1031 5.26,1032 15.309,1033 8.151,1034 12.193,1035 1.519,1036 14.84,1037 5.603,1038 9.257,1039 11.198,1041 17.235,1042 8.809,1043 13.598,1044 1.518,1045 16.613,1046 3.78,1047 10.485,1048 12.793,1049 6.504,1050 19.629,1051 10.029,1052 3.059,1053 1.414,1054 18.397,1055 3.754,1056 11.419,1057 13.963,1059 21.714,1060 10.864,1061 3.049,1062 9.784,1063 20.189,1064 3.653,1065 12.562,1066 15.458,1067 7.771,1068 24.028,1069 11.979,1070 2.888,1071 9.765,1072 21.988,1073 4.099,1074 13.576,1075 16.725,1077 26.194,1078 12.905,1079 2.83,1080 8.877,1081 23.793,1082 4.095,1083 14.685,1084 18.171,1085 9.044,1086 28.473,1087 13.972,1088 2.776,1089 8.7,1090 25.603,1091 3.886,1092 15.737,1093 19.492,1095 30.682,1096 14.946,1097 2.714,1098 8.628,1099 27.417,1100 3.88,1101 16.833,1102 20.912,1103 10.319,1104 32.947,1105 15.99,1106 2.302,1107 8.45,1108 29.234,1109 3.47,1110 17.906,1111 22.264,1113 35.179,1114 16.989,1115 42312,1116 83587,1117 35.024,1118 56.966,1119 80.814,1120 88.832,1121 83.953,1122 80.469,1123 79.858,1124 104.319,1125 17.683,1126 231.144,1127 73.642,1128 5.351,1129 5.867,1130 5.959,1131 5.073,1132 5.059,1133 7.099,1134 3.786,1135 16.722,1136 4.865,1137 31.749,1138 1.497,1139 1.645,1140 1.555,1141 1.49,1142 1.479,1143 1.932,1144 0.327,1145 4.28,1146 1.364,1147 4.028,1148 4.042,1149 6.886,1150 3.965,1151 7.432,1152 3.958,1153 3.958,1154 3.967,1155 6.879,1156 3.906,1157 7.428,1158 3.898,1159 3.894,1160 3.918,1161 6.878,1162 3.849,1163 6.544,1164 3.835,1165 3.866,1166 3.885,1167 6.878,1168 3.838,1169 6.539,1170 3.82,1171 3.678,1172 3.709,1173 3.909,1174 3.481,1175 6.471,1176 3.509,1177 3.632,1178 3.661,1179 3.837,1180 3.45,1181 6.466,1182 3.473,1183 3.414,1184 3.463,1185 3.788,1186 3.268,1187 4.9,1188 3.264,1189 3.351,1190 3.398,1191 3.734,1192 3.232,1193 4.863,1194 3.214,1195 0.082,1196 0.072,1197 0.119,1198 0.074,1199 0.057,1200 4.418,1201 0.076,1202 3.867,1203 0.035,1204 6.409,1205 0.181,1206 3.992,1207 0.053,1208 3.059,1209 4.099,1210 1.893,1211 9.784,1212 2.865,1213 1.941,1214 1.929,1215 2.01,1216 2.034,1217 1.235,1218 2.032,1219 1.931,1220 1.92,1221 1.994,1222 2.013,1223 1.193,1224 2.014,1225 1.881,1226 1.861,1227 1.966,1228 1.973,1229 1.164,1230 1.976,1231 1.862,1232 1.845,1233 1.94,1234 1.926,1235 1.107,1236 1.941,1237 1.57,1238 1.536,1239 1.696,1240 1.8,1241 0.873,1242 1.767,1243 1.532,1244 1.5,1245 1.63,1246 1.739,1247 0.753,1248 1.712,1249 1.372,1250 1.329,1251 1.545,1252 1.576,1253 0.713,1254 1.57,1255 1.313,1256 1.27,1257 1.472,1258 1.498,1259 0.582,1260 1.494,1261 4.691,1263 6.023,1265 7.535,1267 9.13,1269 10.767,1270 13.586,1276 40.681,1277 0.43,1278 5.335,1279 11.999,1289 54.753,1290 139.657,1291 312.339,1292 378.868,1293 422.088,1294 446.842,1295 460.842,1296 159.726,1297 9.749,1298 182.3,1299 182.3,1300 80,1301 13.036,1302 4.907,1303 4.17,1304 89.985,1305 367,1306 104,1307 0.146,1308 356.98,1309 634.12,1310 862.791,1311 378372,1312 5.3,1313 35.949,1314 0.719,1315 0.639,1316 39.949,1317 31.929,1318 23.947,1319 0.443,1320 0.329,1321 14.58,1322 20.851,1323 14.133,1324 11.606,1325 26.257,1326 17.765,1327 21.797,1328 0.287,1329 0.187,1330 24.763,1331 14.185,1332 18.561,1333 0.189,1334 0.099,1335 21.498,1336 9.715,1337 14.421,1338 0.12,1339 0.056,1340 16.904,1341 6.726,1342 11.378,1343 0.076,1344 0.029,1345 13.091,1346 4.312,1347 0.232,1348 184.549,1349 0.169,1350 42.198,1351 0.393,1352 260,1353 908.115,1354 549.629,1355 1016.86,1356 1311.76,1357 934,1358 304,1359 845.921,1360 474.713,1361 898.104,1362 1301.92,1363 841,1364 5.114}
{0 CHEMBL373882,1 1.778,2 15.372,3 5.14,4 26.419,5 156.145,6 8.201,7 0.522,8 4.397,9 4.522,10 4.023,11 3.851,12 5.613,13 3.874,14 4.934,15 5.123,16 4.43,17 4.202,18 6.446,19 4.221,20 5.102,21 5.284,22 4.481,23 4.357,24 6.354,25 4.355,26 5.282,27 5.511,28 4.502,29 4.384,30 6.581,31 4.372,32 5.242,33 5.453,34 4.507,35 4.424,36 6.505,37 4.395,38 5.295,39 5.527,40 4.528,41 4.459,42 6.483,43 4.43,44 5.277,45 5.459,46 4.62,47 4.475,48 6.764,49 4.466,50 5.381,51 5.607,52 4.547,53 4.435,54 6.697,55 4.429,56 0.242,57 1.387,58 12.528,59 6.041,60 25.541,61 7.363,62 1.267,63 2.394,64 28.067,65 9.527,66 156.202,67 12.007,68 0.756,69 2.409,70 31.632,71 12.307,72 58.866,73 15.444,74 1.547,75 2.552,76 45.083,77 13.774,78 169.207,79 17.712,80 1.372,81 2.484,82 40.535,83 13.739,84 125.74,85 18.402,86 1.354,87 2.613,88 44.862,89 14.383,90 117.057,91 19.454,92 1.463,93 2.909,94 39.668,95 15.068,96 204.197,97 18.193,98 1.647,99 3.163,100 50.95,101 16.522,102 198.7,103 19.125,104 95,105 65,106 0.275,107 0.615,108 0.779,109 0.876,110 0.876,111 0.876,112 3.788,113 0.857,114 -5.49,115 -5.36,116 -5.01,118 39.7,120 1,123 4,124 2,130 1,138 8,139 3,140 4,141 1,143 1,144 1,145 1,146 1,153 1,167 7,170 4,171 11,173 3,175 2,178 5,182 9,184 1,186 3,188 3,191 5,192 9,195 1,197 3,199 4,203 2,204 7,206 1,208 3,211 9,214 2,215 8,218 2,220 1,223 9,227 1,228 10,231 2,233 1,235 7,239 1,240 7,245 3,247 4,251 3,252 6,255 2,257 3,260 3,264 4191,265 28.203,266 28.203,267 28.203,268 28.203,269 28.203,270 25.262,271 37.385,272 16.483,273 29.213,274 22.633,275 22.633,276 22.633,277 22.633,278 22.633,279 18.078,280 52.908,281 7.75,282 24.33,283 4.412,284 2.206,285 1.148,286 0.517,287 0.517,288 0.517,289 4.475,295 1386,296 5.099,300 593.237,307 2.253,308 74.255,311 0.5,312 0.5,313 0.67,314 0.9,315 0.5,316 0.67,317 0.5,318 0.6,319 98,320 661,321 4.509,322 4.461,323 7.121,324 4.211,325 3.335,326 4.087,327 3.825,328 11.718,329 3.023,330 4.416,331 3.633,332 6.522,333 4.025,334 3.07,335 4.048,336 1.058,337 10.28,338 2.919,339 4.343,340 3.229,341 6.487,342 3.967,343 3.013,344 3.963,345 0.86,346 10.074,347 2.872,348 4.149,349 3.16,350 6.371,351 3.839,352 2.896,353 3.45,354 0.8,355 9.627,356 2.654,357 3.905,358 2.916,359 5.532,360 3.437,361 2.532,362 3.409,363 0.8,364 7.426,365 2.291,366 3.627,367 2.738,368 5.287,369 3.247,370 2.299,371 2.96,372 0.4,373 6.705,374 2.171,375 3.355,376 2.578,377 5.168,378 3.158,379 2.234,380 2.575,382 6.151,383 2.061,384 3.268,385 2.481,386 4.916,387 3,388 2.083,389 2.502,391 5.455,392 1.895,393 3.233,394 2.333,395 4.802,396 2.834,397 1.9,398 2.308,400 5.182,401 1.755,402 3.13,403 2.013,404 4.655,405 2.765,406 1.832,407 2.187,409 5.072,410 1.69,411 2.89,412 1.844,413 4.515,414 2.466,415 1.521,416 2.026,417 4.325,418 1.411,419 2.862,420 1.542,421 4.017,422 2.381,423 1.414,424 2.016,425 3.335,426 1.359,427 2.747,428 1.419,429 3.984,430 2.271,431 1.302,432 1.857,433 3.293,434 1.25,435 2.57,436 1.38,437 3.757,438 2.21,439 1.295,440 1.584,441 2.874,442 1.183,443 2.529,444 1.331,445 3.602,446 2.014,447 1,448 1.5,449 2.605,450 1.009,451 19.51,452 0.454,453 1.302,454 0.03,455 56.75,456 1.32,457 27.5,458 0.64,459 29.25,460 0.68,461 39.722,462 0.924,463 48.29,464 0.662,465 56.997,466 1.326,467 11.766,468 0.274,469 8.69,470 0.202,471 0.178,472 0.026,473 0.323,476 3,477 1,478 0.659,479 1.246,480 0.676,481 1.223,482 0.582,483 1.018,484 0.61,485 0.726,486 0.704,487 0.782,488 0.424,489 0.76,490 0.825,491 1.137,492 0.841,493 1.213,494 0.661,495 1.079,496 0.984,497 0.879,498 0.926,499 0.869,500 0.898,501 0.868,502 0.699,503 0.881,504 0.862,505 1.023,506 0.735,507 1.009,508 0.745,509 0.743,510 0.799,511 0.825,512 0.741,513 0.825,514 0.868,515 1.12,516 0.931,517 1.196,518 0.931,519 1.128,520 1.414,521 1.286,522 1.088,523 1.061,524 1.464,525 0.987,526 10.5,527 0.446,528 5.333,529 3.375,530 2.351,531 1.854,532 1.341,533 1.033,534 0.806,535 0.541,536 30202,537 100653,538 1.987,539 41.1,541 24,543 2,544 2,547 2,549 1.821,550 1.823,551 3.859,552 0.207,558 129.769,559 1.778,560 3.984,561 5.042,562 5.672,563 5.672,564 5.672,565 3.309,566 4.944,567 5.397,568 4.065,569 3670.5,570 9.574,571 67610.2,576 451.857,577 1.634,578 5.33,579 0.228,580 0.008,581 0.082,582 0.049,583 0.035,584 0.027,585 0.019,586 0.014,587 0.012,588 0.009,589 0.482,590 0.17,591 0.5,592 1.371,593 248.285,594 -0.058,595 -0.232,596 0.036,597 -0.143,598 -0.079,599 -0.047,600 0.252,601 0.285,602 0.176,603 0.195,604 0.34,605 0.175,606 -0.065,607 -0.22,608 0.014,609 -0.183,610 0.014,611 -0.086,612 -0.024,613 0.041,614 0.056,615 0.093,616 0.008,617 0.106,618 0.101,619 -0.011,620 0.055,621 -0.023,622 0.026,623 -0.008,624 0.033,625 0.089,626 0.144,627 0.15,628 -0.007,629 0.181,630 0.097,631 -0.112,632 -0.019,633 -0.157,634 0.124,635 -0.144,636 -0.196,637 -0.157,638 -0.047,639 -0.035,640 -0.174,641 0.005,642 5.895,643 6.898,644 0.558,645 55.846,646 1.027,647 1.153,648 4.256,649 18.116,650 0.652,651 3.85,652 4.19,653 4.407,654 4.635,655 4.875,656 4.977,657 5.13,658 5.159,659 5.257,660 5.338,661 8.992,662 0.644,663 598.67,664 3.85,665 5.407,666 6.244,667 7.125,668 7.984,669 8.869,670 9.737,671 10.623,672 11.497,673 12.384,674 11,677 1,679 1,680 1,681 1,684 4,688 1,690 10,691 4,695 10,697 24,704 1,709 1,711 1,714 1,715 1,716 73,718 25,719 2,720 46,722 76,723 29,724 20,725 6,726 6,727 1,728 4,729 4,732 1,737 1,738 1,740 21,741 8,744 1,749 1,753 1,758 4,760 30,761 14,762 2,763 14,769 8,775 1,776 2,787 1,794 4,816 1,819 4,823 4,825 4,827 43,833 3,834 2,835 1,838 2,839 1,849 4,850 2.7,853 1,855 1,858 23.583,859 14.438,860 9.417,861 4.075,863 4.826,864 1.567,865 0.966,866 10.254,867 13.338,868 4.094,869 4.682,870 5.223,871 5.774,872 6.325,873 6.54,874 6.93,875 7.211,876 7.57,877 7.911,878 1,879 69,880 16.564,881 7.587,882 8.188,883 29.079,884 22.879,885 2.688,886 115.583,890 329.591,891 184.748,892 109.412,894 36.145,895 59.84,897 184.748,898 365.736,899 169.253,900 33.586,901 24.757,902 75.81,903 138.545,904 111.557,905 21.674,906 306.049,907 7.76,908 329.591,909 294.16,910 95.985,913 323.337,914 104.567,917 55.206,918 151.474,919 85.153,921 389.431,922 145.557,923 184.748,926 337.35,927 49.927,928 133.31,929 36.022,930 163.127,931 329.591,932 205.398,933 184.748,935 0.586,936 0.329,937 0.168,938 0.094,939 28,940 15,941 0.145,942 11,944 1,945 4.963,946 434.581,948 24,949 226.574,954 31.773,955 13.877,956 8.234,958 205.398,959 12.628,960 16.627,964 -0.929,966 36.022,967 719.736,968 59,973 13.275,977 -0.956,980 75.007,981 84.162,983 0.287,984 0.644,985 0.815,986 0.916,987 0.916,988 0.916,989 5.347,990 2.083,991 6.263,992 6.151,993 4.875,994 5.371,995 3.288,996 7.094,997 4.739,998 6.567,999 1.9,1000 7.846,1001 5.455,1002 4.635,1003 5.215,1004 3.919,1005 8.184,1006 4.363,1007 7.882,1008 1.832,1009 9.536,1010 5.182,1011 6.526,1012 7.536,1013 5.44,1014 11.208,1015 6.253,1016 9.232,1017 1.521,1018 11.29,1019 5.072,1020 7.066,1021 8.138,1022 6.69,1023 13.099,1024 6.657,1025 10.612,1026 1.414,1027 13.087,1028 4.325,1029 8.486,1030 9.986,1031 8.059,1032 15.7,1033 8.061,1034 12.014,1035 1.302,1036 14.912,1037 3.335,1038 9.368,1039 10.95,1040 9.389,1041 17.901,1042 8.823,1043 13.433,1044 1.295,1045 16.76,1046 3.293,1047 10.616,1048 12.582,1049 10.734,1050 20.369,1051 10.032,1052 3.335,1053 1,1054 18.624,1055 2.874,1056 11.651,1057 13.737,1058 12.074,1059 22.695,1060 10.962,1061 3.07,1062 11.718,1063 20.501,1064 2.605,1065 12.837,1066 15.258,1067 13.416,1068 25.124,1069 12.09,1070 3.013,1071 10.28,1072 22.388,1073 4.087,1074 13.942,1075 16.517,1076 14.758,1077 27.504,1078 13.099,1079 2.896,1080 10.074,1081 24.284,1082 4.048,1083 15.109,1084 17.979,1085 16.1,1086 29.925,1087 14.195,1088 2.532,1089 9.627,1090 26.186,1091 3.963,1092 16.247,1093 19.297,1094 17.441,1095 32.331,1096 15.241,1097 2.299,1098 7.426,1099 28.095,1100 3.45,1101 17.41,1102 20.727,1103 18.783,1104 34.755,1105 16.325,1106 2.234,1107 6.705,1108 30.008,1109 3.409,1110 18.565,1111 22.078,1112 20.124,1113 37.177,1114 17.389,1115 29507,1116 54259,1117 29.531,1118 47.603,1119 69.46,1120 69.878,1121 70.97,1122 68.797,1123 68.572,1124 87.361,1125 15.487,1126 199.414,1127 63.834,1128 5.42,1129 6.461,1130 6.802,1131 5.311,1132 5.335,1133 7.087,1134 5.335,1135 18.796,1136 5.023,1137 27.771,1138 1.51,1139 1.519,1140 1.543,1141 1.496,1142 1.491,1143 1.899,1144 0.337,1145 4.335,1146 1.388,1147 4.03,1148 4.061,1149 3.997,1150 3.919,1151 8.513,1152 3.932,1153 3.944,1154 3.98,1155 3.913,1156 3.835,1157 8.201,1158 3.847,1159 3.874,1160 3.904,1161 3.843,1162 3.769,1163 7.999,1164 3.782,1165 3.716,1166 3.793,1167 3.634,1168 3.528,1169 7.999,1170 3.527,1171 3.681,1172 3.745,1173 3.583,1174 3.452,1175 7.429,1176 3.493,1177 3.491,1178 3.574,1179 3.43,1180 3.235,1181 5.13,1182 3.255,1183 3.364,1184 3.411,1185 3.283,1186 3.114,1187 4.932,1188 3.152,1189 3.279,1190 3.387,1191 3.136,1192 3.013,1193 4.713,1194 3.017,1195 0.098,1196 0.097,1197 0.155,1198 0.092,1199 0.072,1200 4.509,1201 0.089,1202 4.461,1203 0.083,1204 7.121,1205 0.255,1206 4.211,1207 0.066,1208 3.335,1209 4.087,1210 3.825,1211 11.718,1212 3.023,1213 1.94,1214 1.917,1215 2.027,1216 2.067,1217 1.266,1218 2.053,1219 1.892,1220 1.869,1221 1.973,1222 2.035,1223 1.117,1224 2.014,1225 1.829,1226 1.799,1227 1.923,1228 1.959,1229 1.056,1230 1.946,1231 1.684,1232 1.61,1233 1.905,1234 1.901,1235 0.97,1236 1.908,1237 1.58,1238 1.511,1239 1.735,1240 1.823,1241 0.843,1242 1.802,1243 1.427,1244 1.337,1245 1.721,1246 1.699,1247 0.708,1248 1.707,1249 1.24,1250 1.192,1251 1.552,1252 1.538,1253 0.652,1254 1.549,1255 1.227,1256 1.136,1257 1.525,1258 1.515,1259 0.469,1260 1.485,1261 4.533,1263 5.866,1265 7.385,1267 8.987,1269 10.636,1271 7.185,1273 55.53,1277 1.988,1278 5.277,1279 5.883,1282 3.719,1283 -4.645,1289 46.982,1290 129.769,1291 290.824,1292 368.083,1293 414.083,1294 414.083,1295 414.083,1296 135.714,1297 8.512,1298 108.4,1299 108.4,1300 24,1301 12.918,1302 4.7,1303 3.807,1304 81.866,1305 231,1306 238,1307 0.168,1308 288.458,1309 512.76,1310 695.598,1311 73486,1312 5.5,1313 31.148,1314 0.724,1315 0.556,1316 27.777,1317 23.906,1318 20.456,1319 0.445,1320 0.286,1321 12.818,1322 19.228,1323 12.479,1324 10.419,1325 18.834,1326 13.14,1327 19.28,1328 0.297,1329 0.15,1330 16.795,1331 9.745,1332 14.82,1333 0.183,1334 0.078,1335 13.388,1336 6.287,1337 11.934,1338 0.117,1339 0.04,1340 11.008,1341 4.122,1342 9.639,1343 0.074,1344 0.02,1345 8.894,1346 2.617,1347 0.267,1348 131.422,1349 0.184,1350 38.036,1351 0.454,1352 222,1353 950.452,1354 263.812,1355 806.843,1356 1058.32,1357 748,1358 257,1359 749.989,1360 292.795,1361 734.761,1362 1090.13,1363 684,1364 5.081}
{0 CHEMBL377300,1 1.737,2 10.667,3 3.998,4 15.98,5 99.425,6 8.053,7 0.667,8 3.969,9 4.075,10 3.595,11 3.442,12 5.155,13 3.465,14 4.486,15 4.641,16 3.993,17 3.812,18 5.66,19 3.837,20 4.673,21 4.828,22 4.062,23 3.886,24 5.958,25 3.901,26 4.729,27 4.929,28 3.971,29 3.855,30 5.902,31 3.848,32 4.586,33 4.771,34 3.866,35 3.781,36 5.811,37 3.768,38 4.608,39 4.805,40 3.857,41 3.815,42 5.79,43 3.786,44 4.648,45 4.862,46 3.806,47 3.755,48 5.861,49 3.727,50 4.533,51 4.767,52 3.644,53 3.611,54 5.74,55 3.565,56 0.152,57 0.756,58 8.482,59 4.074,60 13.139,61 4.746,62 0.381,63 1.172,64 16.916,65 6.524,66 31.722,67 8.026,68 0.805,69 1.343,70 21.689,71 7.604,72 60.193,73 8.969,74 0.757,75 1.404,76 25.402,77 8.334,78 56.999,79 10.3,80 0.713,81 1.27,82 20.691,83 6.914,84 54.499,85 8.53,86 0.552,87 1.336,88 21.105,89 7.571,90 47.249,91 9.541,92 0.686,93 1.316,94 23.28,95 7.274,96 62.388,97 9.311,98 0.779,99 1.072,100 22.034,101 6.623,102 72.722,103 8.856,104 29,105 44,106 0.295,107 0.697,108 0.839,109 0.879,110 0.879,111 0.879,112 3.341,113 0.853,114 -4.07,115 -4.02,116 -3.81,118 41.3,119 3,124 1,126 1,138 3,139 2,140 3,143 1,144 1,147 1,148 3,161 1,167 3,170 2,171 3,175 5,178 2,181 3,182 8,184 1,186 1,188 3,191 2,192 5,199 2,203 2,204 3,206 1,208 1,211 3,215 6,218 1,220 1,223 4,228 5,231 2,235 3,240 6,243 3,245 1,247 1,252 2,255 1,257 1,260 1,264 1105,265 17.947,266 17.947,267 17.947,268 17.947,269 17.947,270 15.51,271 16.375,272 10.319,273 18.49,274 14.794,275 14.794,276 14.794,277 14.794,278 14.794,279 11.091,280 17.207,281 4.912,282 15.754,283 3.786,284 1.421,285 0.587,286 0.354,287 0.354,288 0.354,289 4.033,292 1,293 1,294 1,295 624,296 3.317,299 114.081,300 133.657,303 206.551,307 1.654,308 35.117,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 60.5,320 288,321 4.697,322 3.478,323 6.894,324 4.216,325 3.265,326 4.663,327 0.86,328 11.511,329 3.104,330 4.597,331 3.344,332 6.654,333 4.109,334 3.144,335 4.557,336 0.86,337 10.635,338 3.03,339 3.908,340 2.899,341 5.827,342 3.486,343 2.563,344 3.39,346 8.054,347 2.356,348 3.704,349 2.687,350 5.658,351 3.29,352 2.363,353 3.132,355 7.362,356 2.18,357 3.391,358 2.489,359 5.161,360 3.082,361 2.148,362 2.762,364 6.014,365 1.996,366 3.235,367 2.206,368 4.821,369 2.904,370 1.961,371 2.545,373 5.214,374 1.845,375 3.199,376 2.004,377 4.72,378 2.785,379 1.814,380 2.354,382 5.129,383 1.753,384 3.104,385 1.916,386 4.657,387 2.641,388 1.68,389 2.229,391 4.833,392 1.607,393 2.875,394 1.775,395 4.465,396 2.391,397 1.479,398 2.012,400 4.072,401 1.341,402 2.433,403 1.233,404 3.592,405 1.997,406 1.074,407 1.411,409 2.515,410 0.986,411 2.068,412 1.095,413 3.52,414 1.558,415 0.625,416 0.881,417 1.684,418 0.574,419 1.674,420 0.965,421 3.182,422 1.409,423 0.536,424 0.596,425 1.269,426 0.463,427 1.614,428 0.611,429 2.995,430 1.238,431 0.348,432 0.424,433 0.864,434 0.305,435 1.073,436 0.122,437 2.563,438 0.635,439 -0.28,440 -0.352,441 -0.723,442 -0.251,443 0.876,444 -0.085,445 2.351,446 0.548,447 -0.374,448 -0.453,449 -0.923,450 -0.342,451 12.386,452 0.459,453 0.822,454 0.03,455 35.25,456 1.306,457 17,458 0.63,459 18.25,460 0.676,461 22.503,462 0.833,463 29.614,464 0.644,465 26.603,466 0.985,467 7.059,468 0.261,469 5.877,470 0.218,471 0.171,473 0.436,477 1,478 0.8,479 1.164,480 0.708,481 1.113,482 0.736,483 0.933,484 0.903,485 1.076,486 0.679,487 0.96,488 0.694,489 0.797,490 1.116,491 1.081,492 0.972,493 1.018,494 1.038,495 0.972,496 1.229,497 1.071,498 0.947,499 0.944,500 1.012,501 0.892,502 1.104,503 1.029,504 1.069,505 0.969,506 1.051,507 0.995,508 1.025,509 1.204,510 1.01,511 1.114,512 1.236,513 1.07,514 1.159,515 1.065,516 1.08,517 0.979,518 1.144,519 1,520 0.938,521 0.9,522 0.978,523 0.852,524 1.049,525 0.897,526 6,527 0.139,528 3.333,529 2.799,530 1.743,531 0.896,532 0.67,533 0.505,534 0.311,535 0.2,536 8592,537 25146,538 2.075,539 41.3,540 3,541 6,542 1,543 1,544 2,545 3,546 3,549 1.702,550 1.906,551 3.355,552 0.304,554 1,558 79.908,559 1.737,560 4.102,561 4.936,562 5.17,563 5.17,564 5.17,565 2.883,566 4.533,567 4.724,568 3.526,569 1237.64,570 8.21,571 15509,573 1,575 1,576 254.084,577 1.506,578 4.668,579 0.2,580 0.009,581 0.076,582 0.064,583 0.044,584 0.025,585 0.019,586 0.015,587 0.011,588 0.01,589 0.472,590 0.33,591 1,592 1.155,593 132.838,594 -0.059,595 -0.103,596 0.044,597 -0.063,598 -0.111,599 0.001,600 -0.029,601 -0.092,602 0.187,603 0.042,604 0.015,605 0.147,606 0.049,607 -0.058,608 -0.038,609 -0.042,611 -0.063,612 -0.067,613 -0.043,614 0.059,615 0.039,616 -0.014,617 0.069,618 -0.013,619 0.062,620 -0.118,621 0.002,622 -0.032,623 -0.067,624 -0.05,625 -0.084,626 -0.068,627 -0.107,628 -0.096,629 -0.098,630 -0.101,631 -0.037,632 -0.087,633 -0.031,634 -0.041,635 -0.055,636 0.107,637 0.125,638 0.05,639 0.101,640 0.054,641 0.077,642 2.122,643 6.836,644 0.667,645 23.61,646 1.021,647 1.137,648 2.843,649 8.082,650 0.661,651 3.434,652 3.807,653 4.111,654 4.431,655 4.644,656 4.745,657 4.883,658 5.056,659 5.075,660 5.153,661 6.212,662 0.648,663 370.42,664 3.434,665 5.004,666 5.878,667 6.786,668 7.681,669 8.594,670 9.498,671 10.412,672 11.321,673 12.236,674 8.7,682 2,684 2,687 1,689 3,690 5,691 2,692 1,695 6,697 20,714 2,715 1,716 46,718 20,719 1,720 30,722 49,723 19,724 14,725 4,726 2,728 4,729 6,732 3,738 1,740 14,741 5,757 1,758 1,760 19,761 6,762 2,763 8,769 4,775 0.5,776 3,778 1,789 2,793 2,794 2,797 2,817 1,819 2,823 3,825 1,827 27,832 1,833 1,835 2,837 1,849 1,850 6.5,851 1,855 2,858 14.167,859 9.276,860 5.778,861 2.678,863 4.102,864 1.526,865 0.969,866 4.598,867 11.9,868 3.714,869 4.425,870 5.103,871 5.788,872 6.315,873 6.687,874 7.118,875 7.595,876 7.785,877 8.174,878 1,879 44,880 10.005,881 4.363,882 7.92,883 18.636,884 15.259,885 2.42,886 65.333,889 1,890 200.109,891 114.389,892 51.398,894 64.683,895 14.96,897 114.389,898 264.792,899 66.358,900 26.476,901 4.592,902 80.16,903 45.22,904 73.934,905 38.591,906 176.567,908 200.109,909 165.787,910 79.643,913 179.756,914 57.313,915 42.683,917 57.636,918 74.702,919 33.449,921 215.069,922 116.081,923 114.389,926 200.109,927 41.818,928 73.734,929 16.786,930 113.092,931 200.109,932 131.041,933 114.389,935 0.594,936 0.345,937 0.192,938 0.107,939 23,940 11,941 0.102,942 5,943 2,944 1.222,945 3.805,946 240.336,947 0.222,948 18,949 128.382,954 17.922,955 6.926,956 3.296,957 1.74,958 113.092,959 8.071,960 8.316,961 3.093,964 2.008,966 59.469,967 445.539,968 40,980 46.971,981 52.283,983 0.314,984 0.743,985 0.894,986 0.936,987 0.936,988 0.936,989 4.97,990 1.68,991 5.894,992 5.129,993 4.489,994 5.112,995 1.376,996 6.758,997 4.368,998 6.224,999 1.479,1000 7.488,1001 4.833,1002 4.205,1003 5.13,1005 7.748,1006 4.043,1007 7.567,1008 1.074,1009 9.181,1010 4.072,1011 6.133,1012 7.472,1013 1.159,1014 10.888,1015 5.912,1016 8.951,1017 0.625,1018 10.93,1019 2.515,1020 6.648,1021 8.329,1023 12.718,1024 6.387,1025 10.368,1026 0.536,1027 12.718,1028 1.684,1029 8.087,1030 10.171,1031 0.963,1032 15.389,1033 7.777,1034 11.811,1035 0.348,1036 14.532,1037 1.269,1038 8.965,1039 11.41,1041 17.569,1042 8.618,1043 13.273,1044 -0.28,1045 16.367,1046 0.864,1047 10.225,1048 13.06,1049 0.787,1050 20.078,1051 9.834,1052 3.265,1053 -0.374,1054 18.217,1055 -0.723,1056 11.267,1057 14.468,1059 22.401,1060 10.837,1061 3.144,1062 11.511,1063 20.081,1064 -0.923,1065 12.462,1066 16.043,1067 0.634,1068 24.853,1069 11.989,1070 2.563,1071 10.635,1072 21.954,1073 4.663,1074 13.575,1075 17.522,1077 27.234,1078 13.061,1079 2.363,1080 8.054,1081 23.836,1082 4.557,1083 14.749,1084 19.069,1085 0.504,1086 29.667,1087 14.192,1088 2.148,1089 7.362,1090 25.725,1091 3.39,1092 15.893,1093 20.577,1095 32.073,1096 15.293,1097 1.961,1098 6.014,1099 27.619,1100 3.132,1101 17.061,1102 22.114,1103 0.395,1104 34.501,1105 16.417,1106 1.814,1107 5.214,1108 29.517,1109 2.762,1110 18.218,1111 23.635,1113 36.918,1114 17.53,1115 8254,1116 14278,1117 19.709,1118 30.415,1119 46.328,1120 47.189,1121 48.027,1122 45.947,1123 45.999,1124 61.914,1125 3.44,1126 138.311,1127 43.083,1128 5.528,1129 5.478,1130 6.421,1131 5.318,1132 5.265,1133 7.663,1134 1.72,1135 18.834,1136 5.104,1137 15.066,1138 1.544,1139 1.573,1140 1.601,1141 1.532,1142 1.533,1143 2.064,1144 0.115,1145 4.61,1146 1.436,1147 4.156,1148 4.19,1149 4.131,1150 4.041,1151 8.201,1152 4.056,1153 4.079,1154 4.12,1155 4.053,1156 3.929,1157 6.451,1158 3.957,1159 3.631,1160 3.677,1161 3.507,1162 3.424,1163 5.167,1164 3.431,1165 3.505,1166 3.546,1167 3.426,1168 3.359,1169 4.92,1170 3.365,1171 3.349,1172 3.417,1173 3.256,1174 3.142,1175 4.651,1176 3.165,1177 3.085,1178 3.164,1179 2.953,1180 2.86,1181 4.474,1182 2.869,1183 2.99,1184 3.06,1185 2.899,1186 2.81,1187 4.12,1188 2.815,1189 2.951,1190 3.025,1191 2.736,1192 2.75,1193 4.058,1194 2.736,1195 0.157,1196 0.116,1197 0.23,1198 0.141,1199 0.109,1200 4.697,1201 0.155,1202 3.478,1203 0.029,1204 6.894,1205 0.384,1206 4.216,1207 0.103,1208 3.265,1209 4.663,1210 0.86,1211 11.511,1212 3.104,1213 1.92,1214 1.905,1215 1.978,1216 2.063,1217 1.125,1218 2.026,1219 1.777,1220 1.735,1221 1.87,1222 1.973,1223 1.067,1224 1.942,1225 1.631,1226 1.59,1227 1.837,1228 1.856,1229 0.985,1230 1.854,1231 1.605,1232 1.547,1233 1.806,1234 1.792,1235 0.886,1236 1.799,1237 1.493,1238 1.438,1239 1.689,1240 1.677,1241 0.725,1242 1.693,1243 1.057,1244 1.001,1245 1.367,1246 1.331,1247 0.464,1248 1.342,1249 0.989,1250 0.926,1251 1.263,1252 1.234,1253 0.342,1254 1.233,1255 0.919,1256 0.844,1257 1.239,1258 1.172,1259 0.324,1260 1.205,1261 4.111,1263 5.468,1264 3.045,1265 7.008,1266 5.476,1267 8.639,1268 7.627,1269 10.322,1271 5.339,1273 14.836,1276 9.419,1277 0.152,1279 11.394,1281 -0.597,1289 29.828,1290 79.908,1291 188.7,1292 227.064,1293 237.819,1294 237.819,1295 237.819,1296 49.96,1297 7.798,1298 84.67,1299 84.67,1300 22,1301 12.749,1302 4.392,1303 3.459,1304 40.178,1305 99,1306 105,1307 0.199,1308 180.396,1309 299.54,1310 431.927,1311 26295,1312 2.2,1313 19.129,1314 0.708,1315 0.561,1316 18.259,1317 15.155,1318 12.936,1319 0.431,1320 0.284,1321 8.357,1322 12.22,1323 8.1,1324 6.732,1325 12.508,1326 8.532,1327 12.287,1328 0.279,1329 0.148,1330 11.866,1331 6.53,1332 10.227,1333 0.17,1334 0.071,1335 9.604,1336 4.271,1337 8.849,1338 0.107,1339 0.036,1340 8.462,1341 3.007,1342 7.175,1343 0.07,1344 0.019,1345 6.829,1346 1.933,1347 0.309,1348 82.673,1349 0.225,1350 25.677,1351 0.556,1352 148,1353 525,1354 169.761,1355 471.776,1356 645.59,1357 442,1358 178,1359 487.218,1360 201.614,1361 480.361,1362 710.57,1363 451,1364 5}
{0 CHEMBL379218,1 1.447,2 11.889,3 3.212,4 10.318,5 107.094,6 7.316,7 0.733,8 3.988,9 4.113,10 3.548,11 3.566,12 5.096,13 3.538,14 4.486,15 4.649,16 3.875,17 3.946,18 5.513,19 3.897,20 4.722,21 4.921,22 3.882,23 4.052,24 5.728,25 3.964,26 4.797,27 5.045,28 3.741,29 3.999,30 5.685,31 3.879,32 4.677,33 4.916,34 3.705,35 3.912,36 5.619,37 3.805,38 4.661,39 4.897,40 3.667,41 3.85,42 5.636,43 3.748,44 4.59,45 4.847,46 3.557,47 3.746,48 5.517,49 3.64,50 4.42,51 4.66,52 3.467,53 3.656,54 5.379,55 3.548,56 0.07,57 0.719,58 10.103,59 4.355,60 11.923,61 5.765,62 0.115,63 1.123,64 17.865,65 7.253,66 18.259,67 9.74,68 0.292,69 1.358,70 24.012,71 9.183,72 34.729,73 12.615,74 0.244,75 1.398,76 27.58,77 10.137,78 34.748,79 14.244,80 0.171,81 1.263,82 23.926,83 8.953,84 31.875,85 12.626,86 0.236,87 1.23,88 23.868,89 8.561,90 36.542,91 11.871,92 0.274,93 1.148,94 22.792,95 7.822,96 32.595,97 11.064,98 0.24,99 0.97,100 18.622,101 6.861,102 27.527,103 9.772,104 5,105 41,106 0.242,107 0.6,108 0.775,109 0.866,110 0.875,111 0.875,112 3.339,113 0.901,114 -3.58,115 -3.55,116 -3.39,118 44.9,119 1,120 1,124 1,126 1,138 9,139 4,140 1,141 2,142 1,148 1,158 1,159 1,160 1,163 1,167 13,171 4,175 3,178 16,180 1,181 1,182 7,183 1,184 1,186 3,188 12,190 1,192 5,197 4,199 5,201 2,204 7,208 4,211 3,213 3,215 6,217 1,218 1,220 3,223 3,225 2,227 1,228 3,231 1,233 1,235 4,237 1,239 1,240 3,243 1,245 2,247 7,249 2,252 2,257 2,260 9,262 2,264 1140,265 18.516,266 18.516,267 18.516,268 18.516,269 18.516,270 15.922,271 11.017,272 11.088,273 18.793,274 14.842,275 14.842,276 14.842,277 14.842,278 14.842,279 11.035,280 9.41,281 5.322,282 15.279,283 4.168,284 2.027,285 0.98,286 0.439,287 0.383,288 0.383,289 4.04,292 1,293 1,294 1,295 708,296 3.082,299 66.035,300 258.152,303 112.937,307 1.901,308 16.253,310 1,311 1,312 1,313 1,314 0.6,315 0.5,316 1,317 1,318 0.87,319 57,320 321,321 4.558,322 3.148,323 6.522,324 4.089,325 3.103,326 4.51,327 0.86,328 10.231,329 3.059,330 4.184,331 2.981,332 6.117,333 3.779,334 2.802,335 3.816,337 8.979,338 2.739,339 3.927,340 2.815,341 5.492,342 3.615,343 2.626,344 3.455,346 7.41,347 2.599,348 3.686,349 2.599,350 5.309,351 3.3,352 2.353,353 3.098,355 6.836,356 2.216,357 3.314,358 2.205,359 4.952,360 3.058,361 2.084,362 2.648,364 5.447,365 2.026,366 3.253,367 2.012,368 4.792,369 2.848,370 1.878,371 2.357,373 5.404,374 1.818,375 2.968,376 1.623,377 4.355,378 2.481,379 1.521,380 2.167,382 4.156,383 1.458,384 2.815,385 1.492,386 4.01,387 2.397,388 1.405,389 1.922,391 3.18,392 1.392,393 2.703,394 1.275,395 3.586,396 2.193,397 1.233,398 1.795,400 3.019,401 1.181,402 2.571,403 1.111,404 3.486,405 2.041,406 1.084,407 1.605,409 2.546,410 1.034,411 2.5,412 1,413 3.247,414 2,415 1,416 1.5,417 2.136,418 1,419 2.111,420 0.986,421 3.223,422 1.642,423 0.654,424 0.939,425 1.552,426 0.645,427 1.715,428 0.714,429 3.098,430 1.467,431 0.574,432 0.638,433 1.347,434 0.507,435 1.053,436 0.08,437 2.629,438 0.786,439 -0.187,440 -0.217,441 -0.455,442 -0.182,443 1.01,444 -0.208,445 2.514,446 0.631,447 -0.353,448 -0.461,449 -0.856,450 -0.345,451 12.933,452 0.479,453 0.571,454 0.021,455 37.25,456 1.38,457 20.5,458 0.759,459 16.75,460 0.62,461 19.934,462 0.738,463 27.867,464 0.569,465 25.777,466 0.955,467 7.475,468 0.277,469 5.712,470 0.212,471 0.07,473 0.309,478 0.899,479 1.021,480 0.817,481 0.944,482 1.072,483 0.88,484 1.154,485 1.117,486 0.91,487 1.003,488 0.977,489 0.945,490 1.128,491 1.059,492 1.091,493 1.082,494 1.077,495 1.087,496 1.183,497 1,498 1.022,499 1.002,500 1.011,501 1,502 1.022,503 1.081,504 0.974,505 1.064,506 1.01,507 1.021,508 1.371,509 1.093,510 1.056,511 1.072,512 1.268,513 1.044,514 1.275,515 0.887,516 0.986,517 0.898,518 1.104,519 0.909,520 0.839,521 0.978,522 0.937,523 0.981,524 0.847,525 0.974,526 5,527 0.129,528 2.667,529 1.417,530 1.142,531 0.663,532 0.415,533 0.333,534 0.152,535 0.143,536 10189,537 24084,538 2.142,539 44.9,541 12,543 2,544 3,545 3,546 2,549 1.696,550 2.051,551 3.544,552 0.872,553 1,554 1,558 70.906,559 1.447,560 3.587,561 4.634,562 5.176,563 5.232,564 5.232,565 2.967,566 4.459,567 4.728,568 3.729,569 1308.79,570 8.18,571 17472.8,573 1,575 1,576 275.121,577 1.218,578 4.706,579 0.167,580 0.007,581 0.065,582 0.036,583 0.035,584 0.021,585 0.014,586 0.012,587 0.006,588 0.007,589 0.369,590 0.33,591 1,592 0.454,593 136.221,594 0.02,595 0.112,596 0.046,597 0.055,598 -0.126,599 0.055,600 -0.092,601 -0.059,602 0.003,603 -0.006,604 -0.057,605 0.007,606 0.027,607 -0.044,608 -0.137,609 -0.1,610 -0.024,611 -0.131,612 -0.093,613 -0.055,614 -0.024,615 -0.018,616 -0.059,617 -0.014,618 -0.024,619 -0.116,620 0.008,621 -0.08,622 0.043,623 -0.038,624 -0.059,625 -0.128,626 -0.048,627 -0.104,628 -0.04,629 -0.082,630 -0.014,631 0.086,632 0.039,633 0.055,634 -0.017,635 0.053,636 0.203,637 -0.01,638 0.052,639 -0.001,640 0.156,641 0.007,642 1.402,643 2.392,644 0.778,645 26.617,646 0.994,647 1.121,648 2.351,649 5.529,650 0.68,651 3.434,652 3.738,653 3.989,654 4.234,655 4.431,656 4.431,657 4.575,658 4.691,659 4.7,660 4.754,661 7.121,662 0.644,663 358.48,664 3.434,665 4.963,666 5.802,667 6.666,668 7.52,669 8.388,670 9.25,671 10.121,672 10.987,673 11.861,674 8.2,675 1,682 1,684 2,689 2,690 11,691 2,692 1,695 5,697 22,714 1,716 49,718 22,719 2,720 30,722 52,723 22,724 18,725 4,726 8,728 4,729 5,732 1,738 2,740 18,741 4,757 1,760 22,761 4,762 3,763 5,769 4,775 0.75,776 1,785 1,787 1,793 1,794 3,797 1,813 1,819 3,823 1,827 27,828 1,833 2,835 1,837 1,850 2,855 1,858 13.167,859 8.9,860 5.917,861 2.817,863 4.037,864 1.536,865 1.013,866 5.079,867 11.562,868 3.738,869 4.36,870 4.967,871 5.569,872 6.099,873 6.345,874 6.814,875 7.251,876 7.491,877 7.833,878 0.875,879 39,880 9.933,881 4.168,882 7.574,883 19.228,884 15.774,885 2.074,886 56,889 1,890 223.651,891 141.607,892 83.009,894 11,897 141.607,898 234.651,899 83.009,900 8.825,901 40.024,902 85.286,903 56.991,904 65.275,905 2.757,906 200.109,908 223.651,909 224.616,910 11,913 200.109,914 34.542,917 85.751,918 105.416,919 33.449,921 223.651,922 94.009,923 141.607,926 223.651,927 29.401,928 112.206,929 16.663,930 77.346,931 223.651,932 94.009,933 141.607,935 0.577,936 0.331,937 0.178,938 0.096,939 20,940 8,941 0.115,942 6,943 1,944 1.095,945 4.061,946 224.352,947 0.095,948 21,949 124.382,954 17.564,955 7.808,956 4.12,957 2.076,958 77.346,959 21.95,960 8.598,961 3.015,964 5.077,966 49.56,967 459.267,968 41,980 48.687,981 54.939,983 0.258,984 0.639,985 0.825,986 0.922,987 0.932,988 0.932,989 4.945,990 1.405,991 5.765,992 4.156,993 4.419,994 5.047,995 0.908,996 6.532,997 4.366,998 6.147,999 1.233,1000 7.292,1001 3.18,1002 3.892,1003 4.745,1005 7.322,1006 3.829,1007 7.44,1008 1.084,1009 8.917,1010 3.019,1011 5.969,1012 7.273,1013 0.739,1014 10.409,1015 5.875,1016 8.772,1017 1,1018 10.601,1019 2.546,1020 6.275,1021 7.851,1023 12.058,1024 6.174,1025 10.136,1026 0.654,1027 12.324,1028 2.136,1029 7.793,1030 9.808,1031 0.593,1032 14.635,1033 7.669,1034 11.526,1035 0.574,1036 14.074,1037 1.552,1038 8.5,1039 10.831,1041 16.652,1042 8.369,1043 12.935,1044 -0.187,1045 15.846,1046 1.347,1047 9.777,1048 12.53,1049 0.469,1050 19.049,1051 9.628,1052 3.103,1053 -0.353,1054 17.633,1055 -0.455,1056 10.685,1057 13.787,1059 21.228,1060 10.527,1061 2.802,1062 10.231,1063 19.432,1064 -0.856,1065 11.857,1066 15.367,1067 0.366,1068 23.563,1069 11.684,1070 2.626,1071 8.979,1072 21.243,1073 4.51,1074 12.866,1075 16.744,1077 25.813,1078 12.682,1079 2.353,1080 7.41,1081 23.061,1082 3.816,1083 13.995,1084 18.273,1085 0.283,1086 28.128,1087 13.797,1088 2.084,1089 6.836,1090 24.887,1091 3.455,1092 15.054,1093 19.71,1095 30.411,1096 14.845,1097 1.878,1098 5.447,1099 26.718,1100 3.098,1101 16.168,1102 21.219,1103 0.217,1104 32.721,1105 15.946,1106 1.521,1107 5.404,1108 28.555,1109 2.648,1110 17.254,1111 22.687,1113 35.021,1114 17.019,1115 9503,1116 14739,1117 20.572,1118 33.33,1119 45.076,1120 44.903,1121 45.31,1122 44.601,1123 44.634,1124 60.899,1125 1.72,1126 124.484,1127 43.349,1128 5.452,1129 5.148,1130 6.324,1131 5.149,1132 5.103,1133 7.51,1134 1.72,1135 16.757,1136 5.059,1137 9.54,1138 1.503,1139 1.497,1140 1.51,1141 1.487,1142 1.488,1143 2.03,1144 0.057,1145 4.149,1146 1.445,1147 4.123,1148 4.16,1149 4.088,1150 4.034,1151 5.096,1152 4.042,1153 3.932,1154 3.967,1155 3.856,1156 3.866,1157 5.023,1158 3.858,1159 3.841,1160 3.877,1161 3.794,1162 3.716,1163 4.909,1164 3.731,1165 3.574,1166 3.639,1167 3.448,1168 3.407,1169 4.735,1170 3.407,1171 3.401,1172 3.464,1173 3.299,1174 3.254,1175 4.399,1176 3.255,1177 3.061,1178 3.131,1179 2.932,1180 2.901,1181 4.296,1182 2.902,1183 2.983,1184 3.062,1185 2.838,1186 2.802,1187 3.905,1188 2.798,1189 2.854,1190 2.939,1191 2.687,1192 2.735,1193 3.753,1194 2.715,1195 0.152,1196 0.105,1197 0.217,1198 0.136,1199 0.103,1200 4.558,1201 0.15,1202 3.148,1203 0.029,1204 6.522,1205 0.341,1206 4.089,1207 0.102,1208 3.103,1209 4.51,1210 0.86,1211 10.231,1212 3.059,1213 1.988,1214 1.969,1215 2.067,1216 2.062,1217 1.258,1218 2.063,1219 1.924,1220 1.894,1221 2.055,1222 2.013,1223 1.213,1224 2.03,1225 1.735,1226 1.707,1227 1.849,1228 1.87,1229 0.967,1230 1.866,1231 1.544,1232 1.484,1233 1.765,1234 1.772,1235 0.899,1236 1.761,1237 1.49,1238 1.415,1239 1.697,1240 1.736,1241 0.733,1242 1.733,1243 1.05,1244 1.006,1245 1.306,1246 1.289,1247 0.496,1248 1.293,1249 0.965,1250 0.894,1251 1.231,1252 1.222,1253 0.249,1254 1.243,1255 0.886,1256 0.821,1257 1.181,1258 1.134,1259 0.218,1260 1.143,1261 4.111,1263 5.416,1264 2.398,1265 6.911,1266 4.727,1267 8.488,1268 6.804,1269 10.11,1271 2.019,1275 6.214,1277 1.226,1279 5.892,1281 -0.069,1289 31.542,1290 70.906,1291 175.783,1292 227.082,1293 253.611,1294 256.366,1295 256.366,1296 36.184,1297 7.525,1298 76.82,1299 76.82,1300 23,1301 12.403,1302 4.524,1303 3.585,1304 40.45,1305 116,1306 112,1307 0.167,1308 194.128,1309 322.51,1310 465.432,1311 20952,1313 18.64,1314 0.69,1315 0.564,1316 18.64,1317 15.222,1318 13.187,1319 0.44,1320 0.3,1321 8.921,1322 12.815,1323 8.673,1324 7.231,1325 13.187,1326 9.013,1327 11.767,1328 0.287,1329 0.165,1330 11.767,1331 6.751,1332 9.831,1333 0.185,1334 0.087,1335 9.831,1336 4.596,1337 8.13,1338 0.12,1339 0.046,1340 8.13,1341 3.152,1342 6.568,1343 0.079,1344 0.025,1345 6.568,1346 2.103,1347 0.269,1348 81.725,1349 0.22,1350 26.422,1351 0.44,1352 142,1353 362.671,1354 151.399,1355 360.498,1356 504.89,1357 340,1358 165,1359 381.652,1360 175.176,1361 391.422,1362 565.42,1363 368,1364 5}
{0 CHEMBL384304,1 1.968,2 12.033,3 1.658,4 2.749,5 109.44,6 8.657,7 0.375,8 4.056,9 4.16,10 3.858,11 3.537,12 5.251,13 3.538,14 4.617,15 4.777,16 4.158,17 3.908,18 5.995,19 3.907,20 4.88,21 5.061,22 4.271,23 4.064,24 6.262,25 4.058,26 4.97,27 5.157,28 4.23,29 4.054,30 6.454,31 4.03,32 4.944,33 5.176,34 4.081,35 3.955,36 6.289,37 3.925,38 4.789,39 5.011,40 4.025,41 3.819,42 6.221,43 3.798,44 4.649,45 4.869,46 3.851,47 3.69,48 6.013,49 3.657,50 4.55,51 4.811,52 3.677,53 3.553,54 5.847,55 3.48,56 0.25,57 0.925,58 11.052,59 4.708,60 37.82,61 5.191,62 0.752,63 1.413,64 22.484,65 8.115,66 88.598,67 9.215,68 1.11,69 1.841,70 31.381,71 9.87,72 161.414,73 11.228,74 1.469,75 1.667,76 34.955,77 10.782,78 211.429,79 12.687,80 1.361,81 1.548,82 35.038,83 9.377,84 196.719,85 12.633,86 1.248,87 1.518,88 28.584,89 7.928,90 153.265,91 10.233,92 0.992,93 1.329,94 24.279,95 6.467,96 138.479,97 8.546,98 0.894,99 1.003,100 23.773,101 6.066,102 111.734,103 8.642,104 69,105 47,106 0.331,107 0.676,108 0.829,109 0.842,110 0.842,111 0.842,112 3.44,113 1.019,114 -3.31,115 -3.3,116 -3.16,118 35.3,120 2,123 2,124 2,126 1,138 2,139 2,140 3,141 1,143 1,146 1,152 1,158 1,159 1,160 1,167 1,170 4,171 8,172 1,173 3,175 3,178 3,180 1,182 1,188 1,191 3,192 12,194 2,195 3,196 1,197 2,198 1,199 1,201 1,204 1,211 1,214 4,215 2,217 1,218 4,220 4,223 2,225 3,228 2,233 1,237 1,239 4,240 3,242 1,243 2,245 1,247 2,257 1,264 1404,265 19.342,266 19.342,267 19.342,268 19.342,269 19.342,270 17.325,271 28.462,272 10.889,273 19.929,274 15.638,275 15.638,276 15.638,277 15.638,278 15.638,279 12.464,280 46.697,281 5.013,282 16.573,283 3.704,284 1.649,285 0.735,286 0.657,287 0.657,288 0.657,289 4.112,293 1,294 1,295 752,296 3.937,300 332.07,307 2.036,308 65.262,311 1,312 0.83,313 1,314 1,315 0.5,316 1,317 1,318 0.9,319 69.5,320 361,321 4.743,322 4.375,323 7.111,324 4.249,325 3.314,326 4.51,327 0.86,328 11.657,329 3.193,330 4.595,331 3.717,332 6.92,333 4.226,334 3.243,335 4.285,336 0.4,337 11.501,338 3.08,339 4.244,340 3.251,341 6.261,342 3.809,343 2.864,344 3.903,345 0.4,346 9.202,347 2.703,348 3.772,349 2.89,350 5.617,351 3.525,352 2.57,353 3.108,355 7.656,356 2.448,357 3.566,358 2.731,359 5.526,360 3.213,361 2.282,362 2.855,364 6.9,365 2.114,366 3.386,367 2.587,368 5.13,369 3.061,370 2.128,371 2.497,373 6.205,374 1.961,375 3.166,376 2.296,377 4.864,378 2.77,379 1.819,380 2.337,382 5.123,383 1.719,384 2.861,385 2.14,386 4.559,387 2.477,388 1.555,389 1.994,391 4.586,392 1.426,393 2.722,394 1.917,395 4.364,396 2.391,397 1.451,398 1.712,400 3.838,401 1.354,402 2.543,403 1.403,404 3.818,405 2.017,406 1.048,407 1.472,409 2.607,410 0.999,411 2,412 1.245,413 3.414,414 1.984,415 1,416 1,417 2.275,418 0.983,419 1.775,420 1.077,421 3.128,422 1.464,423 0.595,424 0.674,425 1.014,426 0.509,427 1.383,428 0.921,429 2.992,430 1.099,431 0.185,432 0.208,433 0.474,434 0.164,435 1.301,436 0.586,437 2.793,438 0.919,439 0.036,440 0.042,441 0.076,442 0.031,443 1,444 0.362,445 2.655,446 0.696,447 -0.24,448 -0.285,449 -0.539,450 -0.222,451 13.738,452 0.458,453 1.06,454 0.035,455 38,456 1.267,457 18,458 0.6,459 20,460 0.667,461 25.976,462 0.866,463 34.862,464 0.684,465 33.238,466 1.108,467 7.42,468 0.247,469 6.692,470 0.223,471 0.216,472 0.061,473 0.357,477 2,478 0.631,479 1.282,480 0.76,481 1.34,482 0.622,483 1.008,484 0.716,485 0.968,486 0.896,487 1.037,488 0.555,489 0.879,490 1.008,491 1.075,492 1.059,493 1.089,494 0.895,495 0.971,496 0.913,497 0.983,498 1.071,499 1.095,500 0.971,501 1.102,502 0.9,503 0.937,504 0.812,505 0.832,506 0.928,507 0.901,508 0.92,509 0.954,510 0.894,511 0.826,512 0.947,513 0.957,514 1.1,515 1.152,516 1.008,517 1.011,518 1.059,519 1.137,520 0.675,521 0.664,522 0.823,523 0.699,524 0.714,525 0.877,526 8,527 0.198,528 4.444,529 2.938,530 2.2,531 1.347,532 0.709,533 0.602,534 0.32,535 0.276,536 11502,537 44179,538 1.948,539 41.2,541 13,543 1,544 3,547 4,549 1.725,550 1.756,551 3.497,552 1.032,554 1,558 100.387,559 1.968,560 4.023,561 4.937,562 5.015,563 5.015,564 5.015,565 2.944,566 4.282,567 4.877,568 3.762,569 1636.3,570 8.489,571 23148.3,573 1,575 1,576 289.294,577 1.731,578 4.788,579 0.25,580 0.008,581 0.095,582 0.058,583 0.047,584 0.033,585 0.019,586 0.02,587 0.013,588 0.011,589 0.553,590 0.33,591 0.88,592 0.933,593 155.478,594 -0.03,595 -0.177,596 0.16,597 -0.107,598 -0.087,599 0.008,600 0.053,601 0.009,602 0.035,603 0.028,604 0.125,605 0.1,606 -0.111,607 -0.065,608 -0.093,609 -0.057,610 -0.001,611 -0.001,612 0.05,613 -0.055,614 -0.129,615 -0.126,616 0.029,617 -0.141,618 -0.02,619 -0.113,620 0.062,621 0.018,622 -0.027,623 0.077,624 0.067,625 0.07,626 -0.015,627 0.025,628 -0.012,629 -0.027,630 -0.118,631 -0.055,632 -0.13,633 -0.13,634 -0.119,635 -0.199,636 0.093,637 0.144,638 0.096,639 0.127,640 0.022,641 0.084,642 4.15,643 6.204,644 0.6,645 31.387,646 1.037,647 1.15,648 2.083,649 4.337,650 0.651,651 3.497,652 3.871,653 4.111,654 4.317,655 4.511,656 4.564,657 4.575,658 4.644,659 4.718,660 4.796,661 7.355,662 0.64,663 441.51,664 3.497,665 5.069,666 5.922,667 6.817,668 7.686,669 8.581,670 9.455,671 10.349,672 11.226,673 12.121,674 9.8,677 1,678 1,679 1,684 2,690 3,691 2,695 7,697 12,702 1,708 1,709 1,714 1,715 2,716 51,718 15,719 1,720 32,722 53,723 18,724 10,725 4,726 2,727 1,728 3,729 3,735 3,738 3,740 11,741 7,744 3,747 1,749 3,753 1,757 1,758 2,760 21,761 11,762 3,763 12,764 1,769 5,775 1,776 4,788 1,794 3,819 3,821 1,823 2,825 2,827 30,828 1,831 1,833 4,834 1,835 1,837 1,838 1,849 2,850 7.8,853 3,855 1,858 17.083,859 9.636,860 6.5,861 2.792,863 2.409,864 1.325,865 0.964,866 6.558,867 9.829,868 3.738,869 4.369,870 4.828,871 5.317,872 5.786,873 5.979,874 6.19,875 6.475,876 6.767,877 7.01,878 0.875,879 51,880 11.441,881 5.311,882 8.386,883 20.279,884 16.719,885 2.886,886 86.583,890 211.88,891 100.378,892 85.998,894 80.458,895 29.92,896 5.807,897 94.571,898 292.338,899 115.918,900 18.073,901 9.28,902 57.657,903 137.944,904 51.422,905 34.147,906 200.109,908 211.88,909 180.568,910 110.378,911 5.807,913 194.716,914 127.542,917 21.746,918 107.241,919 57.389,921 241.8,922 166.455,923 100.378,925 5.807,926 211.88,927 48.498,928 47.592,929 18.011,930 176.846,931 211.88,932 196.376,933 100.378,935 0.6,936 0.353,937 0.176,938 0.092,939 22,940 12,941 0.113,942 6,944 1,945 3.95,946 262.295,948 18,949 141.207,953 1,954 22.35,955 8.803,956 4.885,958 196.376,959 3.122,960 8.079,964 -3.545,966 50.908,967 508.634,968 41,971 -3.234,973 35.878,977 -0.908,980 52.872,981 58.665,983 0.347,984 0.709,985 0.87,986 0.884,987 0.884,988 0.884,989 5.017,990 1.555,991 5.974,992 5.123,993 4.554,994 5.056,995 1.138,996 6.849,997 4.445,998 6.272,999 1.451,1000 7.593,1001 4.586,1002 4.443,1003 5.255,1005 8.048,1006 4.27,1007 7.638,1008 1.048,1009 9.32,1010 3.838,1011 6.267,1012 7.361,1013 0.787,1014 11.074,1015 6.069,1016 9.04,1017 1,1018 11.108,1019 2.607,1020 6.909,1021 8.315,1023 13.036,1024 6.65,1025 10.475,1026 0.595,1027 12.935,1028 2.275,1029 8.296,1030 10.011,1031 0.602,1032 15.667,1033 8.011,1034 11.932,1035 0.185,1036 14.788,1037 1.014,1038 9.247,1039 11.263,1041 17.92,1042 8.91,1043 13.406,1044 0.036,1045 16.661,1046 0.474,1047 10.489,1048 12.824,1049 0.471,1050 20.427,1051 10.119,1052 3.314,1053 -0.24,1054 18.549,1055 0.076,1056 11.57,1057 14.2,1059 22.795,1060 11.154,1061 3.243,1062 11.657,1063 20.449,1064 -0.539,1065 12.763,1066 15.712,1067 0.367,1068 25.261,1069 12.311,1070 2.864,1071 11.501,1072 22.358,1073 4.51,1074 13.9,1075 17.143,1077 27.675,1078 13.404,1079 2.57,1080 9.202,1081 24.274,1082 4.285,1083 15.08,1084 18.636,1085 0.283,1086 30.127,1087 14.546,1088 2.282,1089 7.656,1090 26.196,1091 3.903,1092 16.24,1093 20.094,1095 32.561,1096 15.665,1097 2.128,1098 6.9,1099 28.123,1100 3.108,1101 17.419,1102 21.58,1103 0.217,1104 35.01,1105 16.804,1106 1.819,1107 6.205,1108 30.054,1109 2.855,1110 18.591,1111 23.052,1113 37.452,1114 17.936,1115 11404,1116 22526,1117 19.997,1118 33.222,1119 48.236,1120 51.698,1121 51.032,1122 48.197,1123 48.177,1124 61.194,1125 3.32,1126 146.229,1127 45.367,1128 5.743,1129 6.375,1130 6.654,1131 5.318,1132 5.314,1133 7.51,1134 1.72,1135 19.141,1136 5.193,1137 20.517,1138 1.507,1139 1.616,1140 1.595,1141 1.506,1142 1.506,1143 1.912,1144 0.104,1145 4.57,1146 1.418,1147 4.045,1148 4.06,1149 4.722,1150 3.973,1151 8.239,1152 3.916,1153 3.977,1154 3.98,1155 3.982,1156 3.883,1157 8.161,1158 3.844,1159 3.821,1160 3.856,1161 3.801,1162 3.667,1163 7.716,1164 3.68,1165 3.658,1166 3.68,1167 3.605,1168 3.544,1169 7.427,1170 3.507,1171 3.265,1172 3.323,1173 3.187,1174 3.006,1175 6.999,1176 3.04,1177 3.214,1178 3.257,1179 3.118,1180 2.958,1181 5.181,1182 2.98,1183 3.111,1184 3.206,1185 2.899,1186 2.941,1187 4.761,1188 2.91,1189 3.026,1190 3.126,1191 2.866,1192 2.753,1193 4.721,1194 2.768,1195 0.148,1196 0.137,1197 0.222,1198 0.133,1199 0.104,1200 4.743,1201 0.141,1202 4.375,1203 0.027,1204 7.111,1205 0.364,1206 4.249,1207 0.1,1208 3.314,1209 4.51,1210 0.86,1211 11.657,1212 3.193,1213 1.916,1214 1.901,1215 2.027,1216 2.073,1217 1.414,1218 2.087,1219 1.878,1220 1.863,1221 1.954,1222 2.019,1223 1.07,1224 2.007,1225 1.721,1226 1.692,1227 1.782,1228 1.902,1229 0.964,1230 1.887,1231 1.575,1232 1.568,1233 1.598,1234 1.726,1235 0.825,1236 1.781,1237 1.19,1238 1.12,1239 1.563,1240 1.515,1241 0.786,1242 1.527,1243 1.153,1244 1.065,1245 1.513,1246 1.376,1247 0.569,1248 1.429,1249 1.108,1250 1.064,1251 1.324,1252 1.375,1253 0.53,1254 1.362,1255 0.94,1256 0.856,1257 1.188,1258 1.283,1259 0.166,1260 1.26,1261 4.174,1263 5.533,1265 7.084,1267 8.719,1269 10.395,1271 2.391,1273 27.806,1275 5.867,1277 1.813,1278 3.049,1279 4.952,1281 -0.079,1282 1.392,1289 32.661,1290 100.387,1291 205.181,1292 251.784,1293 255.784,1294 255.784,1295 255.784,1296 108.01,1297 7.419,1298 127.51,1299 135.89,1300 18,1301 12.65,1302 4,1303 3.322,1304 55.609,1305 135,1306 120,1307 0.206,1308 204.244,1309 363.41,1310 490.116,1311 16548,1312 3.9,1313 22.052,1314 0.735,1315 0.572,1316 20.561,1317 17.17,1318 14.112,1319 0.441,1320 0.34,1321 8.965,1322 12.484,1323 8.611,1324 7.094,1325 14.185,1326 10.872,1327 13.658,1328 0.291,1329 0.188,1330 14.002,1331 8.823,1332 10.931,1333 0.182,1334 0.102,1335 10.682,1336 6.126,1337 8.673,1338 0.117,1339 0.055,1340 8.531,1341 4.077,1342 6.563,1343 0.073,1344 0.031,1345 6.387,1346 2.767,1347 0.328,1348 100.154,1349 0.224,1350 28.5,1351 0.551,1352 158,1353 680.605,1354 217.65,1355 611.287,1356 791.61,1357 560,1358 186,1359 529.952,1360 252.213,1361 553.056,1362 803.79,1363 514,1364 5}
{0 CHEMBL385956,1 1.722,2 12.545,3 5.15,4 26.523,5 118.431,6 8.813,7 0.667,8 4.053,9 4.162,10 3.744,11 3.617,12 5.319,13 3.634,14 4.547,15 4.689,16 4.167,17 3.972,18 6.218,19 3.981,20 4.729,21 4.896,22 4.17,23 4.088,24 6.031,25 4.077,26 4.852,27 5.055,28 4.133,29 4.052,30 6.17,31 4.041,32 4.819,33 5.027,34 4.154,35 4.051,36 6.16,37 4.037,38 4.774,39 4.965,40 4.069,41 4.073,42 6.051,43 4.045,44 4.789,45 4.977,46 4.074,47 4.069,48 6.284,49 4.018,50 4.739,51 4.958,52 3.948,53 3.976,54 5.954,55 3.919,56 0.161,57 0.984,58 6.877,59 4.268,60 23.454,61 4.548,62 0.868,63 1.878,64 14.427,65 7.072,66 138.056,67 7.678,68 0.435,69 1.734,70 17.786,71 8.546,72 43.609,73 9.822,74 0.805,75 1.887,76 24.934,77 9.548,78 100.583,79 10.56,80 0.867,81 1.793,82 25.075,83 9.246,84 97.396,85 11.097,86 0.719,87 1.698,88 21.969,89 9.074,90 99.023,91 9.963,92 0.924,93 1.607,94 22.428,95 9.636,96 157.382,97 11.563,98 0.495,99 1.588,100 22.524,101 9.439,102 52.114,103 11.974,104 27,105 51,106 0.284,107 0.587,108 0.765,109 0.885,110 0.904,111 0.904,112 3.532,113 0.824,114 -5.35,115 -5.24,116 -4.9,118 47.1,119 1,130 1,138 10,139 4,140 2,141 2,142 1,143 1,144 1,153 1,167 11,170 1,171 6,173 2,175 6,178 11,182 4,186 8,188 7,191 1,192 8,195 1,197 5,199 6,204 7,206 1,207 1,208 1,211 11,214 1,215 6,218 1,220 1,223 15,227 1,228 4,231 1,233 3,235 13,240 4,245 3,247 7,251 1,252 7,255 1,257 3,260 5,264 1941,265 21.902,266 21.902,267 21.902,268 21.902,269 21.902,270 18.909,271 22.055,272 12.907,273 22.441,274 17.795,275 17.795,276 17.795,277 17.795,278 17.795,279 13.363,280 33.473,281 6.153,282 18.725,283 3.95,284 2.11,285 1.034,286 0.304,287 0.186,288 0.186,289 4.224,293 1,294 1,295 888,296 3.873,300 441.856,307 2.011,308 49.799,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 74,320 414,321 4.456,322 4.46,323 7.116,324 4.181,325 3.32,326 4.065,327 3.825,328 11.69,329 2.983,330 4.407,331 3.577,332 6.518,333 4.031,334 3.059,335 3.934,336 1.058,337 10.259,338 2.912,339 4.28,340 3.131,341 6.194,342 3.902,343 2.911,344 3.858,345 0.4,346 9.189,347 2.86,348 3.928,349 2.876,350 5.872,351 3.591,352 2.617,353 3.277,355 8.104,356 2.542,357 3.699,358 2.586,359 5.354,360 3.3,361 2.334,362 3.165,364 6.947,365 2.217,366 3.634,367 2.278,368 5.218,369 3.144,370 2.196,371 3.003,373 6.277,374 2.076,375 3.005,376 1.899,377 4.531,378 2.578,379 1.62,380 2.2,382 4.539,383 1.553,384 2.967,385 1.83,386 4.282,387 2.54,388 1.593,389 2.153,391 4.036,392 1.484,393 2.947,394 1.742,395 4.064,396 2.445,397 1.499,398 2.095,400 3.442,401 1.413,402 2.751,403 1.51,404 3.988,405 2.283,406 1.301,407 1.862,409 3.24,410 1.274,411 2.717,412 1.358,413 3.629,414 2.223,415 1.215,416 1.72,417 3.015,418 1.209,419 2.569,420 1.189,421 3.484,422 2.088,423 1.1,424 1.596,425 2.517,426 1.075,427 2.5,428 1,429 3.436,430 1.951,431 1,432 1.5,433 2.396,434 0.949,435 2.5,436 1,437 3.247,438 1.934,439 1,440 1.5,441 2.136,442 0.932,443 1.547,444 0.532,445 2.982,446 1.232,447 0.268,448 0.33,449 0.659,450 0.257,451 15.19,452 0.46,453 0.949,454 0.029,455 48,456 1.455,457 26.5,458 0.803,459 21.5,460 0.652,461 23.833,462 0.722,463 34.61,464 0.679,465 40.912,466 1.24,467 9.856,468 0.299,469 5.953,470 0.18,471 0.111,472 0.033,473 0.296,476 3,478 0.599,479 0.987,480 0.623,481 0.958,482 0.588,483 0.843,484 0.435,485 0.776,486 0.687,487 0.93,488 0.401,489 0.912,490 0.693,491 1.035,492 0.868,493 1.158,494 0.592,495 1.101,496 1.091,497 0.993,498 1.095,499 1.01,500 1.036,501 1.031,502 0.809,503 0.746,504 0.869,505 0.828,506 0.848,507 0.857,508 0.976,509 0.787,510 1.109,511 0.921,512 0.971,513 1.013,514 0.521,515 0.752,516 0.945,517 1.028,518 0.534,519 1.122,520 0.6,521 0.911,522 0.871,523 1.127,524 0.529,525 1.112,526 7.5,527 0.211,528 4,529 2.25,530 1.787,531 1.083,532 0.832,533 0.561,534 0.395,535 0.308,536 15588,537 55523,538 2.054,539 35.3,540 3,541 10,543 3,544 2,549 1.753,550 1.913,551 3.625,552 0.222,558 87.831,559 1.722,560 3.563,561 4.639,562 5.368,563 5.486,564 5.486,565 3.083,566 4.635,567 5.018,568 3.812,569 2012.55,570 8.791,571 30434.3,576 289.294,577 1.554,578 4.964,579 0.208,580 0.007,581 0.078,582 0.043,583 0.037,584 0.022,585 0.018,586 0.012,587 0.01,588 0.009,589 0.445,590 0.17,591 1,592 0.718,593 175.826,594 -0.052,595 -0.083,596 0.016,597 -0.012,598 -0.1,599 0.02,600 0.406,601 0.25,602 0.099,603 0.027,604 0.403,605 -0.032,606 -0.053,607 -0.213,608 -0.054,609 -0.214,610 0.01,611 -0.158,612 -0.157,613 -0.067,614 -0.127,615 -0.06,616 -0.118,617 -0.07,618 0.036,619 0.095,620 0.101,621 0.124,622 -0.01,623 0.131,624 -0.156,625 0.091,626 -0.205,627 0.037,628 -0.155,629 -0.052,630 0.207,631 0.003,632 -0.03,633 -0.054,634 0.232,635 -0.114,636 0.022,637 -0.169,638 0.088,639 -0.144,640 0.062,641 -0.045,642 5.744,643 5.727,644 0.727,645 33.983,646 1.028,647 1.138,648 4.124,649 17.007,650 0.694,651 3.611,652 3.951,653 4.174,654 4.394,655 4.644,656 4.644,657 4.771,658 4.812,659 4.905,660 4.977,661 7.582,662 0.69,663 449.47,664 3.611,665 5.165,666 6.004,667 6.882,668 7.74,669 8.619,670 9.483,671 10.361,672 11.229,673 12.106,674 9.8,681 1,682 1,684 3,690 13,691 3,695 8,697 24,704 1,709 1,716 51,718 25,719 2,720 36,722 54,723 24,724 21,725 5,726 7,727 1,728 4,729 4,732 2,737 1,740 22,741 2,744 1,749 1,753 1,758 3,760 18,761 9,762 2,763 9,769 5,775 1,776 1,787 1,788 1,794 4,819 4,823 1,825 3,827 33,834 2,839 1,849 3,850 2,853 1,858 17.25,859 9.529,860 7.111,861 2.828,863 4.54,864 1.576,865 1.01,866 6.28,867 12.423,868 3.912,869 4.522,870 5.075,871 5.624,872 6.184,873 6.32,874 6.701,875 7.001,876 7.371,877 7.707,878 1,879 52,880 12.631,881 5.861,882 8.205,883 22.201,884 17.846,885 2.705,886 89.25,889 1,890 188.338,891 166.106,892 86.378,894 25.145,895 44.88,897 166.106,898 213.483,899 131.258,900 8.825,901 18.011,902 94.762,903 115.519,904 110.617,905 2.328,906 153.024,907 7.76,908 188.338,909 252.484,910 70.025,913 188.338,914 70.025,917 82.076,918 120.051,919 50.357,921 233.218,922 111.523,923 166.106,926 196.097,927 28.045,928 130.301,929 36.022,930 120.382,931 188.338,932 156.403,933 166.106,935 0.588,936 0.333,937 0.173,938 0.099,939 24,940 11,941 0.093,942 5,944 1,945 4.331,946 303.154,948 24,949 161.71,954 22.291,955 9.297,956 5.296,958 156.403,959 19.573,960 12.567,964 2.94,966 36.022,967 510.847,968 49,973 12.727,977 -0.533,980 52.443,981 58.042,983 0.304,984 0.628,985 0.818,986 0.946,987 0.967,988 0.967,989 5.147,990 1.593,991 6.019,992 4.539,993 4.635,994 5.209,995 3.153,996 6.847,997 4.542,998 6.375,999 1.499,1000 7.597,1001 4.036,1002 4.369,1003 4.977,1004 3.903,1005 7.953,1006 4.15,1007 7.691,1008 1.301,1009 9.288,1010 3.442,1011 6.29,1012 7.389,1013 5.432,1014 10.967,1015 6.088,1016 9.041,1017 1.215,1018 11.046,1019 3.24,1020 6.825,1021 7.915,1022 6.69,1023 12.879,1024 6.489,1025 10.421,1026 1.1,1027 12.849,1028 3.015,1029 8.264,1030 9.827,1031 8.059,1032 15.47,1033 7.924,1034 11.822,1035 1,1036 14.681,1037 2.517,1038 9.148,1039 10.726,1040 9.388,1041 17.688,1042 8.682,1043 13.239,1044 1,1045 16.535,1046 2.396,1047 10.406,1048 12.398,1049 10.734,1050 20.155,1051 9.906,1052 3.32,1053 0.268,1054 18.405,1055 2.136,1056 11.445,1057 13.5,1058 12.074,1059 22.497,1060 10.83,1061 3.059,1062 11.69,1063 20.287,1064 0.659,1065 12.637,1066 15.043,1067 13.416,1068 24.931,1069 11.964,1070 2.911,1071 10.259,1072 22.18,1073 4.065,1074 13.745,1075 16.261,1076 14.758,1077 27.325,1078 12.966,1079 2.617,1080 9.189,1081 24.081,1082 3.934,1083 14.916,1084 17.733,1085 16.1,1086 29.755,1087 14.062,1088 2.334,1089 8.104,1090 25.99,1091 3.858,1092 16.056,1093 19.019,1094 17.441,1095 32.174,1096 15.101,1097 2.196,1098 6.947,1099 27.904,1100 3.277,1101 17.224,1102 20.451,1103 18.783,1104 34.607,1105 16.182,1106 1.62,1107 6.277,1108 29.824,1109 3.165,1110 18.382,1111 21.777,1112 20.124,1113 37.039,1114 17.238,1115 14910,1116 28387,1117 23.75,1118 35.387,1119 54.983,1120 54.919,1121 54.829,1122 54.265,1123 54.069,1124 72.513,1125 10.567,1126 156.888,1127 51.471,1128 5.299,1129 6.46,1130 6.918,1131 5.252,1132 5.32,1133 7.065,1134 5.335,1135 18.673,1136 4.983,1137 17.238,1138 1.527,1139 1.526,1140 1.523,1141 1.507,1142 1.502,1143 2.014,1144 0.294,1145 4.358,1146 1.43,1147 4.029,1148 4.063,1149 3.988,1150 3.937,1151 8.513,1152 3.943,1153 3.934,1154 3.967,1155 3.896,1156 3.842,1157 7.999,1158 3.847,1159 3.878,1160 3.908,1161 3.832,1162 3.802,1163 7.999,1164 3.805,1165 3.667,1166 3.725,1167 3.609,1168 3.504,1169 7.429,1170 3.522,1171 3.429,1172 3.471,1173 3.409,1174 3.21,1175 5.049,1176 3.238,1177 3.276,1178 3.322,1179 3.242,1180 3.01,1181 4.854,1182 3.053,1183 3.075,1184 3.161,1185 2.949,1186 2.891,1187 4.723,1188 2.897,1189 3.008,1190 3.089,1191 2.834,1192 2.816,1193 4.66,1194 2.813,1195 0.124,1196 0.124,1197 0.198,1198 0.116,1199 0.092,1200 4.456,1201 0.113,1202 4.46,1203 0.106,1204 7.116,1205 0.325,1206 4.181,1207 0.083,1208 3.32,1209 4.065,1210 3.825,1211 11.69,1212 2.983,1213 1.962,1214 1.936,1215 2.051,1216 2.075,1217 1.171,1218 2.067,1219 1.902,1220 1.874,1221 1.995,1222 2.019,1223 1.095,1224 2.01,1225 1.86,1226 1.832,1227 1.956,1228 1.96,1229 1.027,1230 1.962,1231 1.61,1232 1.557,1233 1.739,1234 1.796,1235 0.688,1236 1.783,1237 1.326,1238 1.284,1239 1.563,1240 1.571,1241 0.632,1242 1.547,1243 1.11,1244 1.065,1245 1.28,1246 1.419,1247 0.309,1248 1.366,1249 1.036,1250 0.966,1251 1.232,1252 1.298,1253 0.28,1254 1.287,1255 0.98,1256 0.91,1257 1.203,1258 1.224,1259 0.246,1260 1.231,1261 4.29,1263 5.624,1265 7.149,1267 8.755,1269 10.4,1271 1.865,1273 38.859,1278 5.746,1283 -4.494,1289 35.186,1290 87.831,1291 181.704,1292 236.565,1293 273.784,1294 279.784,1295 279.784,1296 73.133,1297 7.883,1298 79.8,1299 79.8,1300 24,1301 12.646,1302 4.7,1303 3.807,1304 54.354,1305 151,1306 133,1307 0.173,1308 214.919,1309 378.4,1310 516.163,1311 33032,1312 5.9,1313 23.424,1314 0.71,1315 0.527,1316 20.924,1317 17.389,1318 15.809,1319 0.439,1320 0.275,1321 9.715,1322 15.109,1323 9.528,1324 7.902,1325 14.597,1326 9.888,1327 14.961,1328 0.293,1329 0.141,1330 13.003,1331 7.182,1332 11.749,1333 0.184,1334 0.076,1335 10.787,1336 4.866,1337 9.408,1338 0.118,1339 0.04,1340 8.89,1341 3.164,1342 7.958,1343 0.077,1344 0.021,1345 7.318,1346 2.171,1347 0.275,1348 99.904,1349 0.205,1350 30.757,1351 0.468,1352 174,1353 709.67,1354 202.279,1355 612.79,1356 808.04,1357 568,1358 202,1359 573.186,1360 223.795,1361 565.623,1362 840.08,1363 530,1364 7.602}
{0 CHEMBL386051,1 1.798,2 11.517,3 5.639,4 31.799,5 120.773,6 9.853,7 0.563,8 3.925,9 4.019,10 3.771,11 3.606,12 5.109,13 3.562,14 4.407,15 4.542,16 4.162,17 3.993,18 5.588,19 3.932,20 4.606,21 4.736,22 4.319,23 4.134,24 5.827,25 4.071,26 4.7,27 4.859,28 4.382,29 4.114,30 5.972,31 4.039,32 4.663,33 4.826,34 4.251,35 4.029,36 5.964,37 3.963,38 4.617,39 4.812,40 4.146,41 3.951,42 5.833,43 3.877,44 4.534,45 4.731,46 3.974,47 3.865,48 5.693,49 3.748,50 4.302,51 4.512,52 3.657,53 3.654,54 5.367,55 3.54,56 0.062,57 0.634,58 4.901,59 3.483,60 5.832,61 3.942,62 0.276,63 1.063,64 15.091,65 6.695,66 15.962,67 7.366,68 0.221,69 1.204,70 18.348,71 7.991,72 22.414,73 8.664,74 0.529,75 1.319,76 26.419,77 8.739,78 55.763,79 9.068,80 0.52,81 1.234,82 26.674,83 8.87,84 54.382,85 9.532,86 0.468,87 1.253,88 20.133,89 7.782,90 48.556,91 8.535,92 0.517,93 1.032,94 30.247,95 8.419,96 52.307,97 9.549,98 0.234,99 0.934,100 15.167,101 6.238,102 23.228,103 7.134,104 27,105 46,106 0.306,107 0.663,108 0.793,109 0.86,110 0.867,111 0.867,112 3.408,113 1.001,114 -6.15,115 -6,116 -5.57,118 46.7,123 2,132 1,133 1,138 7,139 2,140 4,141 1,143 1,146 1,153 1,167 7,170 3,171 5,173 2,175 2,178 14,182 6,186 1,188 10,191 2,192 7,195 1,197 3,199 9,204 12,208 1,211 5,214 1,215 8,218 1,220 1,223 3,228 9,233 1,235 3,240 6,247 5,252 1,257 4,260 5,264 1246,265 19.524,266 19.524,267 19.524,268 19.524,269 19.524,270 17.033,271 23.154,272 11.236,273 20.289,274 15.691,275 15.691,276 15.691,277 15.691,278 15.691,279 11.815,280 34.898,281 5.237,282 16.867,283 3.694,284 1.593,285 0.826,286 0.434,287 0.389,288 0.389,289 4.103,290 2,294 1,295 722,296 2.739,300 329.857,304 122.501,307 2.017,308 28.142,311 0.75,312 0.83,313 1,314 0.4,316 1,317 1,318 0.71,319 61.667,320 334,321 4.617,322 4.328,323 6.941,324 4.258,325 3.291,326 4.242,327 2.95,328 11.619,329 3.179,330 4.313,331 3.774,332 6.527,333 3.892,334 2.96,335 3.954,336 1.2,337 10.134,338 2.743,339 4.085,340 3.302,341 5.799,342 3.67,343 2.723,344 3.675,345 0.4,346 8.007,347 2.573,348 3.83,349 2.961,350 5.644,351 3.395,352 2.452,353 3.239,354 0.293,355 7.49,356 2.3,357 3.507,358 2.726,359 5.26,360 3.132,361 2.187,362 2.79,364 6.636,365 2.041,366 3.335,367 2.623,368 5.209,369 2.937,370 1.988,371 2.508,373 6.011,374 1.865,375 3.232,376 2.463,377 4.841,378 2.779,379 1.879,380 2.481,382 5.36,383 1.701,384 3.221,385 2.171,386 4.805,387 2.707,388 1.851,389 2.468,391 5.104,392 1.441,393 2.811,394 2.065,395 4.159,396 2.327,397 1.336,398 1.93,400 3.353,401 1.317,402 2.676,403 1.677,404 3.729,405 2.193,406 1.212,407 1.756,409 2.636,410 1.184,411 2.523,412 1.295,413 3.498,414 1.94,415 1.006,416 1.454,417 2.513,418 0.924,419 1.871,420 1.271,421 3.206,422 1.375,423 0.432,424 0.504,425 0.889,426 0.358,427 1.584,428 1.028,429 3.067,430 1.228,431 0.378,432 0.483,433 0.726,434 0.335,435 1.498,436 0.622,437 2.834,438 1.179,439 0.267,440 0.315,441 0.611,442 0.232,443 1.219,444 0.484,445 2.673,446 0.785,447 -0.114,448 -0.145,449 -0.309,450 -0.091,451 14.695,452 0.507,453 0.784,454 0.027,455 41.5,456 1.431,457 22.5,458 0.776,459 19,460 0.655,461 23.796,462 0.821,463 29.105,464 0.647,465 30.981,466 1.068,467 7.908,468 0.273,469 6.066,470 0.209,471 0.188,473 0.367,478 0.672,479 1.185,480 0.554,481 0.775,482 0.588,483 0.759,484 0.627,485 0.845,486 0.771,487 0.835,488 0.563,489 0.74,490 1.049,491 1.286,492 0.929,493 1.026,494 0.93,495 0.963,496 1.303,497 1.02,498 0.912,499 0.872,500 1.473,501 0.933,502 1.013,503 1.226,504 1.027,505 1.151,506 1.016,507 1.07,508 1.178,509 1.023,510 0.734,511 0.735,512 1.191,513 0.849,514 1.149,515 0.929,516 1.288,517 1.066,518 1.056,519 1.081,520 0.857,521 1.031,522 0.736,523 0.938,524 0.769,525 1.023,526 6,527 0.161,528 3.333,529 2.688,530 2.244,531 1.222,532 0.829,533 0.382,534 0.361,535 0.192,536 10610,537 35161,538 2.07,539 35.6,541 14,543 1,544 1,549 1.719,550 1.912,551 3.449,552 -0.302,558 80.895,559 1.798,560 3.899,561 4.666,562 5.058,563 5.103,564 5.103,565 2.935,566 4.323,567 4.826,568 3.639,569 1477.32,570 8.404,571 19614.2,576 247.133,577 1.487,578 4.777,579 0.188,580 0.009,581 0.072,582 0.053,583 0.048,584 0.028,585 0.021,586 0.012,587 0.014,588 0.009,589 0.454,590 0.17,591 0.88,592 0.772,593 146.72,594 -0.055,595 -0.137,596 0.018,597 0.004,598 -0.088,599 0.01,600 0.142,601 0.242,602 -0.004,603 0.08,604 0.068,605 0.113,606 -0.122,607 -0.271,608 -0.081,609 -0.148,610 -0.034,611 -0.105,612 -0.065,613 0.005,614 0.016,615 0.016,616 -0.101,617 -0.048,618 0.129,619 -0.225,620 -0.073,621 -0.247,622 0.168,623 -0.154,624 -0.067,625 0.032,626 0.069,627 0.134,628 -0.024,629 0.073,630 -0.026,631 0.026,632 -0.147,633 -0.104,634 -0.058,635 -0.072,636 -0.097,637 0.009,638 -0.001,639 -0.004,640 -0.055,641 -0.04,642 1.901,643 6.003,644 0.759,645 29.757,646 1.014,647 1.109,648 4.922,649 24.223,650 0.759,651 3.497,652 3.85,653 4.159,654 4.443,655 4.7,656 4.779,657 4.913,658 5.081,659 5.215,660 5.263,661 6.704,662 0.718,663 443.38,664 3.497,665 5.056,666 5.927,667 6.823,668 7.71,669 8.612,670 9.506,671 10.412,672 11.31,673 12.218,674 8.9,681 1,682 1,684 2,690 8,691 2,695 8,697 18,709 1,715 2,716 45,718 20,719 2,720 32,722 48,723 21,724 16,725 5,726 7,727 3,728 4,729 5,730 2,740 19,741 2,744 2,749 1,751 1,753 2,760 16,761 5,762 1,763 8,764 3,769 4,775 0.75,776 1,788 1,794 4,798 1,808 1,811 1,812 1,819 3,820 1,821 1,823 2,824 2,827 29,834 1,836 1,838 1,849 2,850 2.2,853 1,858 15.167,859 8.969,860 6.361,861 2.47,863 3.639,864 1.464,865 1.011,866 5.724,867 11.479,868 3.784,869 4.413,870 5.019,871 5.598,872 6.156,873 6.41,874 6.799,875 7.269,876 7.684,877 8.015,878 0.875,879 51,880 10.684,881 4.586,882 7.784,883 20.121,884 16.406,885 2.284,886 66.222,890 176.567,891 162.461,892 54.706,893 78.297,894 25.145,896 32.22,897 130.241,898 280.009,899 54.706,900 15.587,901 3.124,902 75.81,903 75.192,904 47.924,905 4.227,906 197.015,907 78.297,908 176.567,909 184.947,910 25.145,911 110.517,913 176.567,914 25.145,917 32.082,918 109.818,919 121.345,920 32.22,921 176.567,922 79.851,923 240.758,926 176.567,927 62.017,928 103.568,929 18.011,930 137.013,931 176.567,932 79.851,933 240.758,935 0.588,936 0.359,937 0.195,938 0.107,939 23,940 11,941 0.083,942 4,943 1,944 1.091,945 3.948,946 263.768,947 0.091,948 22,949 134.881,950 1,954 20.081,955 8.267,956 3.951,958 79.851,959 14.78,960 8.932,964 4.986,966 18.011,967 497.176,968 43,973 13.003,975 1.725,977 0.175,980 45.644,981 49.917,983 0.327,984 0.71,985 0.85,986 0.921,987 0.929,988 0.929,989 5.034,990 1.851,991 5.932,992 5.36,993 4.533,994 5.1,995 3.073,996 6.783,997 4.401,998 6.263,999 1.336,1000 7.52,1001 5.104,1002 4.205,1003 4.934,1004 0.325,1005 7.756,1006 3.979,1007 7.586,1008 1.212,1009 9.207,1010 3.353,1011 6.168,1012 7.308,1013 5.05,1014 10.892,1015 5.941,1016 8.943,1017 1.006,1018 10.952,1019 2.636,1020 6.635,1021 7.913,1022 0.653,1023 12.685,1024 6.329,1025 10.329,1026 0.432,1027 12.734,1028 2.513,1029 8.09,1030 9.779,1031 7.188,1032 15.363,1033 7.78,1034 11.737,1035 0.378,1036 14.542,1037 0.889,1038 8.927,1039 10.761,1040 1.001,1041 17.514,1042 8.555,1043 13.162,1044 0.267,1045 16.371,1046 0.726,1047 10.19,1048 12.401,1049 9.348,1050 20.034,1051 9.803,1052 3.291,1053 -0.114,1054 18.216,1055 0.611,1056 11.202,1057 13.583,1058 1.37,1059 22.344,1060 10.767,1061 2.96,1062 11.619,1063 20.074,1064 -0.309,1065 12.394,1066 15.113,1067 11.511,1068 24.808,1069 11.937,1070 2.723,1071 10.134,1072 21.944,1073 4.242,1074 13.489,1075 16.404,1076 1.754,1077 27.188,1078 12.992,1079 2.452,1080 8.007,1081 23.822,1082 3.954,1083 14.658,1084 17.878,1085 13.675,1086 29.633,1087 14.135,1088 2.187,1089 7.49,1090 25.708,1091 3.675,1092 15.791,1093 19.228,1094 2.143,1095 32.045,1096 15.234,1097 1.988,1098 6.636,1099 27.6,1100 3.239,1101 16.956,1102 20.676,1103 15.838,1104 34.485,1105 16.372,1106 1.879,1107 6.011,1108 29.498,1109 2.79,1110 18.11,1111 22.059,1112 2.535,1113 36.913,1114 17.494,1115 10153,1116 18655,1117 21.096,1118 34.171,1119 48.581,1120 53.001,1121 50.616,1122 48.211,1123 47.929,1124 63.599,1125 9.686,1126 142.178,1127 44.386,1128 5.512,1129 6.328,1130 6.533,1131 5.334,1132 5.291,1133 7.242,1134 5.9,1135 19.318,1136 5.179,1137 15.487,1138 1.518,1139 1.656,1140 1.582,1141 1.507,1142 1.498,1143 1.987,1144 0.303,1145 4.443,1146 1.387,1147 4.041,1148 4.07,1149 4.135,1150 3.963,1151 7.428,1152 3.964,1153 3.902,1154 3.926,1155 4.008,1156 3.863,1157 5.042,1158 3.841,1159 3.813,1160 3.842,1161 3.883,1162 3.718,1163 4.973,1164 3.725,1165 3.457,1166 3.509,1167 3.582,1168 3.269,1169 4.712,1170 3.287,1171 3.221,1172 3.295,1173 3.523,1174 3.176,1175 4.632,1176 3.069,1177 3.195,1178 3.268,1179 3.378,1180 3.008,1181 4.222,1182 3.007,1183 2.999,1184 3.062,1185 3.074,1186 2.849,1187 4.115,1188 2.841,1189 2.901,1190 2.918,1191 3.038,1192 2.839,1193 4.045,1194 2.815,1195 0.144,1196 0.135,1197 0.217,1198 0.133,1199 0.103,1200 4.617,1201 0.133,1202 4.328,1203 0.092,1204 6.941,1205 0.363,1206 4.258,1207 0.099,1208 3.291,1209 4.242,1210 2.95,1211 11.619,1212 3.179,1213 1.967,1214 1.95,1215 2.012,1216 2.082,1217 1.162,1218 2.063,1219 1.888,1220 1.865,1221 1.968,1222 1.963,1223 1.091,1224 1.977,1225 1.773,1226 1.743,1227 1.85,1228 1.878,1229 0.943,1230 1.885,1231 1.361,1232 1.314,1233 1.581,1234 1.608,1235 0.654,1236 1.595,1237 1.226,1238 1.165,1239 1.52,1240 1.42,1241 0.626,1242 1.493,1243 1.196,1244 1.113,1245 1.407,1246 1.393,1247 0.437,1248 1.422,1249 0.964,1250 0.906,1251 1.175,1252 1.177,1253 0.241,1254 1.178,1255 0.849,1256 0.827,1257 1.05,1258 0.967,1259 0.159,1260 1.007,1261 4.174,1263 5.517,1265 7.069,1267 8.718,1269 10.418,1271 3.689,1272 12.608,1278 3.189,1280 1.654,1282 1.482,1289 32.33,1290 80.895,1291 175.443,1292 209.972,1293 227.624,1294 229.624,1295 229.624,1296 50.48,1297 7.84,1298 59.81,1299 85.11,1300 24,1301 12.736,1302 4.392,1303 3.585,1304 44.793,1305 118,1306 124,1307 0.191,1308 209.405,1309 362.4,1310 502.708,1311 27269,1312 4.4,1313 20.543,1314 0.708,1315 0.619,1316 21.897,1317 17.939,1318 13.974,1319 0.437,1320 0.334,1321 8.775,1322 12.522,1323 8.311,1324 6.9,1325 15.109,1326 10.68,1327 12.726,1328 0.277,1329 0.175,1330 13.961,1331 8.042,1332 11.175,1333 0.177,1334 0.093,1335 12.322,1336 5.862,1337 9.372,1338 0.112,1339 0.049,1340 10.575,1341 4.132,1342 7.674,1343 0.07,1344 0.024,1345 8.449,1346 2.63,1347 0.299,1348 98.239,1349 0.218,1350 27.412,1351 0.528,1352 156,1353 468.271,1354 216.66,1355 541.191,1356 723.27,1357 504,1358 187,1359 477.78,1360 235.267,1361 519.435,1362 763.4,1363 486,1364 7.921}
{0 CHEMBL386637,1 1.717,2 14,3 4.658,4 21.693,5 140.171,6 8.228,7 0.439,8 4.265,9 4.39,10 3.893,11 3.769,12 5.479,13 3.78,14 4.815,15 4.996,16 4.321,17 4.152,18 6.352,19 4.153,20 5.042,21 5.238,22 4.355,23 4.326,24 6.275,25 4.293,26 5.191,27 5.427,28 4.314,29 4.323,30 6.453,31 4.269,32 5.151,33 5.398,34 4.3,35 4.305,36 6.339,37 4.25,38 5.098,39 5.315,40 4.335,41 4.322,42 6.317,43 4.274,44 5.147,45 5.354,46 4.449,47 4.323,48 6.591,49 4.307,50 5.163,51 5.365,52 4.431,53 4.275,54 6.563,55 4.286,56 0.189,57 1.258,58 10.806,59 5.542,60 32.733,61 6.539,62 1.057,63 2.285,64 23.965,65 9.201,66 156.482,67 11.252,68 0.648,69 2.328,70 29.924,71 12.212,72 66.563,73 15.283,74 1.173,75 2.423,76 40.971,77 14.04,78 168.355,79 17.991,80 1.097,81 2.264,82 40.202,83 13.449,84 128.171,85 18.11,86 0.891,87 2.306,88 35.042,89 13.549,90 108.74,91 17.429,92 1.245,93 2.549,94 37.337,95 13.674,96 216.015,97 16.75,98 1.186,99 2.915,100 38.227,101 13.947,102 180.415,103 14.687,104 69,105 59,106 0.272,107 0.645,108 0.794,109 0.857,110 0.857,111 0.857,112 3.668,113 0.866,114 -5.03,115 -4.93,116 -4.62,118 42.2,120 2,123 2,124 2,126 1,130 1,137 2,138 6,139 4,140 3,141 2,146 1,153 1,158 1,159 1,160 1,167 11,170 1,171 6,172 2,173 3,175 2,178 10,181 1,182 7,184 1,186 3,188 8,192 6,197 4,199 6,201 1,203 1,204 8,208 4,211 8,213 1,215 9,218 1,220 3,223 8,225 1,228 9,233 2,235 9,237 1,239 1,240 4,245 2,247 9,249 2,251 2,252 2,255 2,257 2,260 8,262 2,264 3068,265 24.712,266 24.712,267 24.712,268 24.712,269 24.712,270 22.223,271 33.26,272 14.238,273 25.408,274 20.201,275 20.201,276 20.201,277 20.201,278 20.201,279 16.335,280 40.775,281 6.763,282 21.418,283 4.283,284 1.932,285 0.996,286 0.598,287 0.598,288 0.598,289 4.355,294 1,295 1127,296 4.472,300 534.106,307 2.158,308 66.203,311 0.75,312 0.83,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.78,319 86,320 532,321 4.513,322 4.461,323 7.121,324 4.215,325 3.336,326 4.075,327 3.825,328 11.722,329 3.035,330 4.391,331 3.634,332 6.536,333 4.012,334 3.057,335 4.001,336 1.058,337 10.303,338 2.926,339 4.197,340 3.253,341 6.396,342 3.911,343 2.957,344 3.709,345 0.8,346 9.726,347 2.73,348 4.145,349 3.058,350 5.926,351 3.629,352 2.682,353 3.421,354 0.8,355 8.23,356 2.548,357 3.835,358 2.926,359 5.444,360 3.585,361 2.625,362 3.186,364 7.236,365 2.506,366 3.738,367 2.873,368 5.302,369 3.315,370 2.333,371 2.787,373 6.719,374 2.289,375 3.483,376 2.66,377 5.203,378 3.055,379 2.125,380 2.735,382 6.312,383 1.966,384 3.31,385 2.36,386 4.88,387 2.978,388 2.033,389 2.516,391 5.658,392 1.903,393 3.16,394 2.328,395 4.823,396 2.814,397 1.862,398 2.252,400 5.141,401 1.743,402 2.916,403 1.855,404 4.542,405 2.473,406 1.536,407 2.023,409 4.396,410 1.411,411 2.889,412 1.578,413 4.141,414 2.41,415 1.436,416 1.678,417 3.583,418 1.391,419 2.651,420 1.412,421 3.777,422 2.029,423 1.063,424 1.5,425 2.72,426 1.02,427 2.529,428 1.211,429 3.685,430 2.014,431 1,432 1.478,433 2.6,434 1.009,435 2.5,436 1.13,437 3.435,438 1.959,439 1,440 1.399,441 2.322,442 0.956,443 2.214,444 1.026,445 3.414,446 1.917,447 1,448 1.193,449 2.275,450 0.916,451 17.376,452 0.457,453 1.251,454 0.033,455 48,456 1.263,457 23,458 0.605,459 25,460 0.658,461 35.499,462 0.934,463 42.024,464 0.657,465 45.779,466 1.205,467 9.725,468 0.256,469 8.282,470 0.218,471 0.166,472 0.029,473 0.334,476 3,477 1,478 0.616,479 1.089,480 0.677,481 1.077,482 0.592,483 0.942,484 0.525,485 0.747,486 0.708,487 0.834,488 0.39,489 0.825,490 0.702,491 0.987,492 0.894,493 1.136,494 0.594,495 1.098,496 0.873,497 0.932,498 0.961,499 1.004,500 0.831,501 1.01,502 0.696,503 0.709,504 0.796,505 0.828,506 0.677,507 0.842,508 0.671,509 0.842,510 0.814,511 1.043,512 0.731,513 1.009,514 0.835,515 1.023,516 0.815,517 1.011,518 0.877,519 0.941,520 1.528,521 1.439,522 1.152,523 1.181,524 1.589,525 1.075,526 10,527 0.326,528 5.111,529 2.5,530 2.231,531 1.708,532 1.179,533 0.97,534 0.818,535 0.544,536 21841,537 72253,538 2.001,539 40.6,541 17,543 2,544 3,546 4,549 1.792,550 1.831,551 3.697,552 0.817,558 109.897,559 1.717,560 4.068,561 5.004,562 5.402,563 5.402,564 5.402,565 3.181,566 4.629,567 5.216,568 3.916,569 2753.03,570 9.215,571 46001.4,576 384,577 1.656,578 5.15,579 0.244,580 0.007,581 0.087,582 0.041,583 0.04,584 0.03,585 0.02,586 0.015,587 0.013,588 0.01,589 0.507,590 0.17,591 0.88,592 0.835,593 210.866,594 -0.055,595 -0.123,596 0.02,597 -0.038,598 -0.078,599 0.007,600 0.279,601 0.25,602 0.141,603 0.151,604 0.348,605 0.115,606 -0.037,607 -0.123,608 -0.045,609 -0.142,610 0.03,611 -0.108,612 -0.017,613 -0.05,614 0.013,615 -0.021,616 0.016,617 0.004,618 0.052,619 0.073,620 0.171,621 0.143,622 0.048,623 0.188,624 0.066,625 -0.007,626 0.101,627 -0.03,628 0.011,629 0.022,630 0.109,631 -0.103,632 0.141,633 -0.007,634 0.113,635 0.056,636 -0.212,637 -0.223,638 -0.132,639 -0.153,640 -0.22,641 -0.122,642 5.862,643 6.655,644 0.632,645 46.432,646 1.025,647 1.149,648 3.797,649 14.415,650 0.662,651 3.738,652 4.094,653 4.304,654 4.511,655 4.779,656 4.852,657 5.004,658 5.069,659 5.209,660 5.283,661 8.158,662 0.652,663 526.59,664 3.738,665 5.303,666 6.142,667 7.024,668 7.883,669 8.765,670 9.632,671 10.515,672 11.389,673 12.273,674 9.4,677 1,678 1,680 1,681 1,684 2,690 8,691 2,695 8,697 18,704 1,708 1,711 1,715 1,716 64,718 20,719 2,720 41,722 67,723 27,724 16,725 6,726 6,727 1,728 4,729 4,732 1,735 3,737 1,738 3,739 2,740 17,741 8,744 1,749 1,753 1,758 4,760 26,761 11,762 3,763 11,769 6,775 1,776 1,788 1,794 4,801 2,816 1,819 4,823 2,825 4,827 38,828 1,833 4,834 1,837 1,838 2,839 1,842 1,848 2,849 4,850 1.6,853 1,858 20.75,859 12.121,860 8.139,861 3.669,863 4.361,864 1.537,865 0.984,866 8.211,867 12.487,868 3.989,869 4.57,870 5.11,871 5.628,872 6.194,873 6.478,874 6.837,875 7.175,876 7.575,877 7.941,878 1,879 61,880 14.699,881 6.887,882 8.239,883 25.827,884 21.006,885 2.739,886 104.083,890 270.735,891 176.827,892 90.728,894 25.145,895 59.84,897 176.827,898 295.88,899 150.568,900 16.793,901 27.291,902 89.755,903 86.963,904 96.601,905 50.92,906 247.193,907 7.76,908 270.735,909 267.554,910 84.985,913 238.611,914 117.11,917 58.169,918 141.753,919 67.632,921 330.576,922 115.873,923 176.827,926 278.495,927 43.261,928 97.994,929 52.072,930 151.454,931 270.735,932 175.713,933 176.827,935 0.597,936 0.333,937 0.162,938 0.095,939 27,940 14,941 0.06,942 4,944 1,945 4.632,946 369.29,948 24,949 188.666,954 27.387,955 11.393,956 6.822,958 175.713,959 9.776,960 7.673,964 -0.822,966 50.908,967 623.275,968 53,973 13.126,977 -0.885,980 65.592,981 73.54,983 0.286,984 0.678,985 0.834,986 0.9,987 0.9,988 0.9,989 5.265,990 2.033,991 6.172,992 6.312,993 4.779,994 5.257,995 3.219,996 7.002,997 4.67,998 6.498,999 1.862,1000 7.757,1001 5.658,1002 4.575,1003 5.094,1004 3.919,1005 8.097,1006 4.329,1007 7.822,1008 1.536,1009 9.448,1010 5.141,1011 6.441,1012 7.414,1013 5.435,1014 11.098,1015 6.212,1016 9.175,1017 1.436,1018 11.201,1019 4.396,1020 6.995,1021 7.986,1022 6.69,1023 12.985,1024 6.62,1025 10.556,1026 1.063,1027 12.995,1028 3.583,1029 8.404,1030 9.842,1031 8.059,1032 15.576,1033 8.027,1034 11.956,1035 1,1036 14.817,1037 2.72,1038 9.287,1039 10.766,1040 9.389,1041 17.78,1042 8.776,1043 13.371,1044 1,1045 16.661,1046 2.6,1047 10.53,1048 12.407,1049 10.734,1050 20.247,1051 9.986,1052 3.336,1053 1,1054 18.522,1055 2.322,1056 11.563,1057 13.524,1058 12.074,1059 22.581,1060 10.902,1061 3.057,1062 11.722,1063 20.397,1064 2.275,1065 12.747,1066 15.051,1067 13.416,1068 25.015,1069 12.029,1070 2.957,1071 10.303,1072 22.283,1073 4.075,1074 13.851,1075 16.28,1076 14.758,1077 27.404,1078 13.027,1079 2.682,1080 9.726,1081 24.178,1082 4.001,1083 15.018,1084 17.743,1085 16.1,1086 29.833,1087 14.122,1088 2.625,1089 8.23,1090 26.082,1091 3.709,1092 16.157,1093 19.038,1094 17.441,1095 32.249,1096 15.16,1097 2.333,1098 7.236,1099 27.991,1100 3.421,1101 17.322,1102 20.467,1103 18.783,1104 34.682,1105 16.244,1106 2.125,1107 6.719,1108 29.907,1109 3.186,1110 18.48,1111 21.801,1112 20.124,1113 37.112,1114 17.304,1115 21136,1116 38791,1117 26.353,1118 42.375,1119 63.683,1120 63.217,1121 63.825,1122 62.103,1123 61.833,1124 78.129,1125 12.967,1126 181.931,1127 58.378,1128 5.513,1129 6.461,1130 6.665,1131 5.283,1132 5.336,1133 7.075,1134 5.335,1135 18.85,1136 5.035,1137 23.979,1138 1.553,1139 1.542,1140 1.557,1141 1.515,1142 1.508,1143 1.906,1144 0.316,1145 4.437,1146 1.424,1147 4.035,1148 4.071,1149 3.995,1150 3.94,1151 8.513,1152 3.948,1153 3.934,1154 3.964,1155 3.897,1156 3.858,1157 8.201,1158 3.862,1159 3.827,1160 3.878,1161 3.787,1162 3.681,1163 7.999,1164 3.699,1165 3.797,1166 3.848,1167 3.703,1168 3.656,1169 7.999,1170 3.657,1171 3.467,1172 3.557,1173 3.417,1174 3.224,1175 7.429,1176 3.239,1177 3.399,1178 3.441,1179 3.306,1180 3.193,1181 5.244,1182 3.217,1183 3.276,1184 3.321,1185 3.22,1186 3.06,1187 4.857,1188 3.095,1189 3.183,1190 3.238,1191 3.124,1192 2.973,1193 4.709,1194 3,1195 0.11,1196 0.109,1197 0.174,1198 0.103,1199 0.081,1200 4.513,1201 0.099,1202 4.461,1203 0.093,1204 7.121,1205 0.286,1206 4.215,1207 0.074,1208 3.336,1209 4.075,1210 3.825,1211 11.722,1212 3.035,1213 1.959,1214 1.934,1215 2.075,1216 2.091,1217 1.418,1218 2.087,1219 1.913,1220 1.888,1221 1.998,1222 2.012,1223 1.12,1224 2.008,1225 1.782,1226 1.728,1227 1.935,1228 1.947,1229 1.068,1230 1.94,1231 1.748,1232 1.708,1233 1.826,1234 1.912,1235 0.909,1236 1.894,1237 1.43,1238 1.335,1239 1.742,1240 1.696,1241 0.783,1242 1.716,1243 1.271,1244 1.244,1245 1.426,1246 1.53,1247 0.676,1248 1.47,1249 1.153,1250 1.107,1251 1.417,1252 1.406,1253 0.581,1254 1.379,1255 1.099,1256 1.044,1257 1.363,1258 1.352,1259 0.469,1260 1.348,1261 4.419,1263 5.765,1265 7.292,1267 8.898,1269 10.545,1271 3.894,1273 55.185,1275 5.454,1277 2.987,1278 2.512,1281 0.203,1282 4.004,1283 -4.612,1288 5.588,1289 41.698,1290 109.897,1291 260.377,1292 320.226,1293 345.735,1294 345.735,1295 345.735,1296 114.512,1297 8.126,1298 87.38,1299 87.38,1300 24,1301 12.808,1302 4.392,1303 3.7,1304 67.343,1305 182,1306 228,1307 0.174,1308 254.616,1309 460.91,1310 613.023,1311 43326,1312 6.3,1313 27.449,1314 0.722,1315 0.548,1316 24.079,1317 20.811,1318 18.007,1319 0.439,1320 0.289,1321 11.6,1322 17.084,1323 11.345,1324 9.393,1325 16.385,1326 11.841,1327 17.467,1328 0.296,1329 0.155,1330 14.982,1331 9.164,1332 13.46,1333 0.184,1334 0.086,1335 12.028,1336 6.274,1337 10.471,1338 0.116,1339 0.047,1340 9.546,1341 4.197,1342 8.851,1343 0.075,1344 0.026,1345 8.113,1346 3.015,1347 0.275,1348 114.66,1349 0.195,1350 34.428,1351 0.476,1352 200,1353 830.406,1354 233.914,1355 701.845,1356 913.18,1357 648,1358 232,1359 638.575,1360 259.674,1361 627.628,1362 929.78,1363 585,1364 6.538}
{0 CHEMBL391691,1 1.922,2 10.036,3 4.766,4 22.719,5 113.248,6 10.308,7 0.71,8 3.868,9 3.933,10 3.872,11 3.626,12 5.066,13 3.556,14 4.361,15 4.447,16 4.204,17 4.022,18 5.786,19 3.953,20 4.598,21 4.71,22 4.321,23 4.14,24 5.991,25 4.063,26 4.632,27 4.763,28 4.29,29 4.157,30 5.899,31 4.05,32 4.65,33 4.817,34 4.178,35 4.131,36 5.802,37 3.992,38 4.547,39 4.697,40 4.29,41 4.041,42 5.801,43 3.915,44 4.509,45 4.673,46 4.194,47 3.867,48 5.912,49 3.784,50 4.379,51 4.563,52 3.811,53 3.695,54 5.738,55 3.59,56 0.122,57 0.618,58 5.47,59 3.918,60 22.463,61 3.611,62 0.299,63 1.004,64 13.606,65 7.118,66 52.655,67 6.975,68 0.527,69 1.248,70 17.591,71 8.76,72 77.077,73 8.079,74 0.428,75 1.337,76 18.228,77 9.352,78 64.237,79 9.131,80 0.402,81 1.325,82 28.283,83 11.251,84 56.303,85 11.413,86 0.38,87 1.226,88 26.111,89 9.59,90 52.187,91 8.953,92 0.549,93 1.246,94 19.968,95 8.653,96 75.106,97 8.119,98 0.441,99 1.08,100 22.537,101 8.093,102 62.605,103 8.532,104 38,105 47,106 0.328,107 0.657,108 0.789,109 0.877,110 0.885,111 0.885,112 3.376,113 1.095,114 -5.73,115 -5.6,116 -5.22,118 47.6,123 1,138 7,139 5,140 3,141 1,143 1,147 1,148 1,158 1,159 1,160 1,167 10,170 1,171 2,172 1,173 1,175 1,178 16,180 1,182 6,186 1,188 13,190 1,192 8,197 3,199 12,201 3,204 7,208 3,211 9,213 3,215 2,220 3,223 9,225 3,227 2,228 5,233 2,235 8,237 2,240 2,245 1,247 6,249 1,252 2,254 2,255 2,260 5,264 1150,265 18.264,266 18.264,267 18.264,268 18.264,269 18.264,270 15.342,271 8.5,272 10.254,273 18.918,274 15.262,275 15.262,276 15.262,277 15.262,278 15.262,279 10.824,280 5.906,281 4.82,282 16.444,283 3.47,284 1.546,285 0.772,286 0.256,287 0.208,288 0.208,289 4.064,290 1,293 1,294 1,295 603,296 3.317,299 55.14,300 230.045,303 104.858,307 1.684,308 41.241,311 0.75,312 0.83,313 1,314 0.4,316 1,317 1,318 0.71,319 60.833,320 281,321 4.815,322 5.18,323 7.121,324 4.293,325 3.349,326 4.737,327 2.95,328 12.002,329 3.209,330 4.737,331 3.362,332 7.01,333 4.178,334 3.286,335 4.654,337 11.679,338 2.903,339 4.259,340 3.257,341 6.346,342 3.834,343 2.875,344 3.919,346 9.632,347 2.724,348 4.044,349 2.829,350 5.956,351 3.601,352 2.657,353 3.622,355 8.276,356 2.467,357 3.652,358 2.575,359 5.631,360 3.224,361 2.275,362 3.076,364 7.174,365 2.113,366 3.455,367 2.355,368 5.116,369 2.92,370 1.994,371 2.857,373 5.84,374 1.848,375 3.203,376 2.125,377 4.672,378 2.671,379 1.728,380 2.503,382 4.838,383 1.602,384 2.826,385 1.968,386 4.426,387 2.319,388 1.414,389 1.961,391 3.935,392 1.278,393 2.812,394 1.602,395 4.069,396 2.295,397 1.322,398 1.937,400 3.519,401 1.217,402 2.606,403 1.212,404 3.993,405 2.098,406 1.11,407 1.65,409 2.924,410 1.093,411 2.55,412 1.082,413 3.61,414 2.002,415 1.059,416 1.574,417 2.516,418 0.988,419 2.226,420 0.838,421 3.469,422 1.613,423 0.775,424 1.107,425 2.023,426 0.632,427 1.371,428 0.657,429 2.837,430 0.945,431 0.101,432 0.123,433 0.224,434 0.075,435 1.319,436 0.625,437 2.737,438 0.892,439 -0.029,440 -0.037,441 -0.071,442 -0.027,443 1,444 0.074,445 2.706,446 0.306,447 -0.578,448 -0.737,449 -1.551,450 -0.434,451 14.133,452 0.505,453 1.005,454 0.036,455 40.75,456 1.455,457 23.5,458 0.839,459 17.25,460 0.616,461 22.322,462 0.797,463 28.467,464 0.678,465 31.329,466 1.119,467 7.658,468 0.273,469 5.595,470 0.2,471 0.182,472 0.059,473 0.354,477 1,478 0.505,479 0.817,480 0.684,481 0.862,482 0.658,483 0.71,484 0.61,485 0.848,486 0.872,487 0.933,488 0.555,489 0.786,490 1.031,491 0.934,492 0.921,493 0.887,494 1.029,495 0.929,496 0.886,497 1.001,498 0.953,499 1.009,500 0.894,501 1.067,502 0.634,503 0.871,504 1.106,505 1.111,506 0.552,507 1.052,508 0.799,509 1.019,510 0.903,511 0.991,512 0.741,513 1.035,514 0.885,515 1.097,516 0.811,517 1.022,518 1.01,519 0.987,520 0.825,521 0.913,522 1.081,523 1.115,524 0.802,525 1.108,526 7,527 0.14,528 4.444,529 2.215,530 1.908,531 1.309,532 0.947,533 0.571,534 0.455,535 0.218,536 8884,537 34222,538 2.043,539 33.3,541 10,542 1,543 1,544 2,549 1.714,550 1.856,551 3.318,552 0.282,558 80.736,559 1.922,560 3.846,561 4.621,562 5.136,563 5.184,564 5.184,565 2.794,566 4.495,567 4.778,568 3.467,569 1310.39,570 8.329,571 16565.5,573 1,576 226.477,577 1.708,578 4.703,579 0.226,580 0.009,581 0.095,582 0.045,583 0.041,584 0.031,585 0.024,586 0.016,587 0.016,588 0.011,589 0.514,590 0.33,591 0.88,592 0.82,593 138.208,594 0.022,595 0.08,596 0.084,597 0.044,598 -0.142,599 0.087,600 0.083,601 0.042,602 -0.055,603 -0.004,604 0.16,605 0.067,606 -0.1,607 0.012,608 -0.089,609 0.001,610 -0.072,611 -0.056,612 -0.12,613 -0.1,614 -0.095,615 -0.075,616 -0.125,617 -0.145,618 -0.038,619 -0.059,620 -0.098,621 -0.068,622 0.009,623 -0.01,624 -0.063,625 -0.134,626 0.085,627 -0.008,628 -0.047,629 -0.064,630 0.111,631 -0.078,632 0.133,633 -0.056,634 -0.021,635 -0.018,636 0.09,637 0.013,638 -0.074,639 -0.146,640 0.079,641 -0.064,642 4.25,643 5.538,644 0.75,645 24.582,646 1.025,647 1.106,648 4.502,649 20.272,650 0.77,651 3.466,652 3.871,653 4.159,654 4.443,655 4.718,656 4.86,657 5.037,658 5.193,659 5.313,660 5.38,661 6.036,662 0.732,663 432.95,664 3.466,665 5.056,666 5.932,667 6.849,668 7.747,669 8.665,670 9.573,671 10.492,672 11.405,673 12.326,674 4.8,678 1,684 1,689 2,690 9,691 1,694 1,695 8,697 22,708 1,715 2,716 42,718 24,719 2,720 31,722 45,723 20,724 19,725 5,726 7,728 4,729 5,730 1,740 19,741 1,744 2,747 1,749 2,758 1,760 14,761 5,762 2,763 8,764 3,769 2,775 0.75,776 2,787 1,793 1,794 3,797 1,819 3,821 2,823 1,824 1,825 1,827 28,828 1,830 1,845 1,849 2,850 4.8,853 2,858 15.083,859 7.986,860 5.861,861 2.237,863 4.517,864 1.576,865 1.052,866 4.802,867 12.355,868 3.807,869 4.546,870 5.171,871 5.826,872 6.437,873 6.872,874 7.4,875 7.898,876 8.329,877 8.752,878 0.857,879 49,880 10.531,881 4.876,882 8.09,883 19.28,884 16.507,885 2.59,886 72.528,889 1,890 141.253,891 160.106,892 49.683,893 39.149,894 44.313,895 14.96,896 37.324,897 122.782,898 224.715,899 64.643,900 7.19,902 112.926,903 72.87,904 38.535,905 29.805,906 148.989,907 39.149,908 141.253,909 172.465,910 59.273,911 76.472,913 156.213,914 44.313,917 9.047,918 146.632,919 61.98,920 31.278,921 156.213,922 93.996,923 199.254,925 6.046,926 141.253,927 63.839,928 90.221,930 148.104,931 141.253,932 108.956,933 199.254,935 0.608,936 0.354,937 0.181,938 0.103,939 25,940 12,941 0.067,942 3,943 1,944 1.095,945 3.76,946 259.044,947 0.095,948 21,949 132.606,950 1,953 1,954 19.161,955 7.017,956 3.504,957 1.6,958 108.956,959 14.75,960 4.302,963 1.462,964 3.146,966 32.897,967 449.463,968 44,971 -3.333,973 23.813,980 43.033,981 46.446,983 0.356,984 0.713,985 0.857,986 0.953,987 0.961,988 0.961,989 5.072,990 1.414,991 5.989,992 4.838,993 4.554,994 5.234,995 2.913,996 6.895,997 4.414,998 6.365,999 1.322,1000 7.62,1001 3.935,1002 4.443,1003 5.4,1005 8.118,1006 4.177,1007 7.746,1008 1.11,1009 9.359,1010 3.519,1011 6.29,1012 7.653,1013 5.027,1014 11.18,1015 6.021,1016 9.168,1017 1.059,1018 11.159,1019 2.924,1020 6.948,1021 8.603,1023 13.174,1024 6.547,1025 10.621,1026 0.775,1027 12.998,1028 2.516,1029 8.351,1030 10.396,1031 7.185,1032 15.824,1033 7.94,1034 12.097,1035 0.101,1036 14.862,1037 2.023,1038 9.32,1039 11.678,1041 18.106,1042 8.795,1043 13.589,1044 -0.029,1045 16.745,1046 0.224,1047 10.574,1048 13.308,1049 9.348,1050 20.629,1051 10.019,1052 3.349,1053 -0.578,1054 18.641,1055 -0.071,1056 11.671,1057 14.735,1059 23.022,1060 11.024,1061 3.286,1062 12.002,1063 20.548,1064 -1.551,1065 12.876,1066 16.305,1067 11.511,1068 25.506,1069 12.185,1070 2.875,1071 11.679,1072 22.463,1073 4.737,1074 14.026,1075 17.795,1077 27.944,1078 13.259,1079 2.657,1080 9.632,1081 24.384,1082 4.654,1083 15.217,1084 19.345,1085 13.675,1086 30.416,1087 14.4,1088 2.275,1089 8.276,1090 26.311,1091 3.919,1092 16.39,1093 20.864,1095 32.873,1096 15.509,1097 1.994,1098 7.174,1099 28.242,1100 3.622,1101 17.58,1102 22.408,1103 15.838,1104 35.343,1105 16.646,1106 1.728,1107 5.84,1108 30.176,1109 3.076,1110 18.764,1111 23.94,1113 37.809,1114 17.772,1115 8615,1116 17039,1117 19.997,1118 32.341,1119 48.303,1120 50.868,1121 50.065,1122 47.999,1123 47.892,1124 67.438,1125 5.9,1126 149.164,1127 44.295,1128 5.497,1129 7.18,1130 6.663,1131 5.403,1132 5.349,1133 7.737,1134 5.9,1135 19.59,1136 5.209,1137 16.784,1138 1.558,1139 1.641,1140 1.615,1141 1.548,1142 1.545,1143 2.175,1144 0.19,1145 4.812,1146 1.429,1147 4.155,1148 4.156,1149 4.735,1150 4.166,1151 8.201,1152 4.116,1153 4.025,1154 4.001,1155 4.343,1156 4.046,1157 7.716,1158 3.951,1159 3.842,1160 3.854,1161 3.991,1162 3.794,1163 6.999,1164 3.774,1165 3.622,1166 3.62,1167 3.709,1168 3.579,1169 5.186,1170 3.512,1171 3.29,1172 3.336,1173 3.427,1174 3.187,1175 4.865,1176 3.167,1177 3.076,1178 3.151,1179 3.318,1180 2.944,1181 4.737,1182 2.921,1183 2.879,1184 2.922,1185 3.023,1186 2.799,1187 4.555,1188 2.77,1189 2.809,1190 2.873,1191 2.818,1192 2.707,1193 4.339,1194 2.687,1195 0.155,1196 0.167,1197 0.23,1198 0.138,1199 0.108,1200 4.815,1201 0.153,1202 5.18,1203 0.095,1204 7.121,1205 0.387,1206 4.293,1207 0.104,1208 3.349,1209 4.737,1210 2.95,1211 12.002,1212 3.209,1213 2.025,1214 2.028,1215 2.047,1216 2.076,1217 1.266,1218 2.102,1219 1.921,1220 1.913,1221 1.966,1222 1.981,1223 1.144,1224 1.997,1225 1.776,1226 1.779,1227 1.777,1228 1.865,1229 0.999,1230 1.884,1231 1.522,1232 1.521,1233 1.582,1234 1.653,1235 0.782,1236 1.698,1237 1.348,1238 1.349,1239 1.368,1240 1.387,1241 0.596,1242 1.435,1243 0.951,1244 0.891,1245 1.208,1246 1.246,1247 0.217,1248 1.246,1249 0.871,1250 0.831,1251 1.094,1252 1.034,1253 0.203,1254 1.082,1255 0.859,1256 0.824,1257 1.084,1258 1.013,1259 0.167,1260 1.058,1261 4.143,1263 5.525,1264 2.398,1265 7.098,1266 4.727,1267 8.754,1268 6.88,1269 10.456,1271 1.171,1272 5.934,1273 13.538,1275 6.146,1289 30.745,1290 80.736,1291 161.542,1292 194.071,1293 215.722,1294 217.722,1295 217.722,1296 62.233,1297 7.838,1298 73.05,1299 109.67,1300 23,1301 12.835,1302 4.644,1303 3.807,1304 42.277,1305 101,1306 102,1307 0.21,1308 197.144,1309 333,1310 472.791,1311 26372,1312 4.8,1313 20.052,1314 0.716,1315 0.607,1316 20.285,1317 16.999,1318 13.253,1319 0.428,1320 0.365,1321 8.366,1322 11.414,1323 7.85,1324 6.465,1325 14.479,1326 11.32,1327 13.218,1328 0.281,1329 0.205,1330 15.042,1331 9.642,1332 10.774,1333 0.171,1334 0.109,1335 11.822,1336 6.842,1337 8.809,1338 0.105,1339 0.06,1340 10.443,1341 5.011,1342 7.435,1343 0.067,1344 0.032,1345 8.782,1346 3.535,1347 0.322,1348 98.787,1349 0.224,1350 26.188,1351 0.601,1352 156,1353 528.464,1354 237.395,1355 564.717,1356 745.86,1357 518,1358 188,1359 479.631,1360 270.714,1361 542.126,1362 790.91,1363 506,1364 7.229}
{0 CHEMBL391692,1 1.856,2 15.026,3 6.317,4 39.91,5 135.457,6 9.835,7 0.667,8 4.156,9 4.248,10 3.93,11 3.741,12 5.469,13 3.769,14 4.649,15 4.754,16 4.395,17 4.134,18 6.345,19 4.154,20 4.866,21 5.007,22 4.423,23 4.255,24 6.245,25 4.257,26 4.966,27 5.132,28 4.424,29 4.223,30 6.374,31 4.236,32 4.95,33 5.123,34 4.382,35 4.16,36 6.416,37 4.17,38 4.859,39 5.03,40 4.345,41 4.088,42 6.477,43 4.091,44 4.732,45 4.908,46 4.209,47 4.041,48 6.321,49 4.005,50 4.697,51 4.897,52 4.015,53 3.968,54 5.975,55 3.914,56 0.309,57 1.07,58 5.296,59 4.539,60 43.099,61 4.107,62 1.036,63 2.053,64 10.939,65 7.952,66 153.14,67 7.443,68 0.867,69 2.007,70 18.864,71 10.057,72 95.076,73 9.902,74 1.227,75 2.172,76 24.178,77 11.457,78 158.339,79 11.104,80 1.409,81 1.999,82 25.792,83 10.674,84 168.398,85 10.425,86 1.564,87 2.153,88 24.768,89 9.975,90 234.019,91 9.404,92 1.126,93 1.6,94 18.512,95 8.741,96 158.823,97 9.653,98 0.867,99 1.541,100 22.069,101 9.685,102 115.874,103 11.004,104 51,105 62,106 0.299,107 0.606,108 0.763,109 0.874,110 0.888,111 0.888,112 3.668,113 0.818,114 -5.77,115 -5.63,116 -5.25,118 49.1,130 1,138 11,139 6,140 4,141 1,143 1,147 1,148 1,154 1,158 1,159 1,160 1,167 14,171 5,172 1,173 3,174 1,175 4,178 18,180 1,182 4,186 5,188 14,190 1,191 1,192 10,194 1,195 1,197 7,199 9,201 2,204 10,208 8,211 6,213 3,215 8,220 7,223 11,225 4,228 1,231 1,233 2,235 15,237 1,240 1,243 1,244 1,245 4,246 1,247 15,249 2,251 1,255 1,257 1,260 11,264 2748,265 25.004,266 25.004,267 25.004,268 25.004,269 25.004,270 21.543,271 20.898,272 14.289,273 25.618,274 20.721,275 20.721,276 20.721,277 20.721,278 20.721,279 15.493,280 25.419,281 6.784,282 21.86,283 3.925,284 2.017,285 1.047,286 0.355,287 0.268,288 0.268,289 4.367,290 1,295 1241,296 4.123,299 90.811,300 496.106,303 170.393,307 2.396,308 67.671,311 0.5,312 0.67,313 0.83,314 0.3,316 0.83,317 1,318 0.59,319 86.333,320 571,321 4.747,322 4.461,323 7.119,324 4.307,325 3.328,326 4.724,327 3.825,328 11.979,329 3.291,330 4.483,331 3.573,332 7.013,333 4.194,334 3.314,335 3.996,336 1.656,337 11.704,338 2.934,339 4.224,340 3.329,341 6.346,342 3.845,343 2.857,344 3.851,345 0.247,346 9.634,347 2.827,348 4.081,349 3.094,350 6.055,351 3.73,352 2.797,353 3.614,355 8.726,356 2.586,357 3.997,358 2.989,359 5.767,360 3.571,361 2.607,362 3.352,364 7.793,365 2.483,366 3.747,367 2.734,368 5.444,369 3.35,370 2.393,371 3.158,373 7.176,374 2.279,375 3.574,376 2.521,377 5.219,378 3.126,379 2.196,380 2.934,382 6.285,383 2.009,384 3.425,385 2.29,386 4.863,387 2.987,388 2.012,389 2.715,391 5.448,392 1.945,393 3.251,394 2.047,395 4.807,396 2.795,397 1.837,398 2.511,400 5.226,401 1.729,402 2.93,403 1.954,404 4.592,405 2.481,406 1.573,407 2.117,409 4.624,410 1.396,411 2.909,412 1.756,413 4.454,414 2.428,415 1.473,416 2.023,417 4.141,418 1.363,419 2.807,420 1.568,421 4.116,422 2.35,423 1.375,424 1.915,425 3.61,426 1.321,427 2.638,428 1.195,429 4.01,430 2.148,431 1.157,432 1.703,433 2.958,434 1.131,435 2.55,436 1.077,437 3.606,438 2.038,439 1.06,440 1.574,441 2.551,442 1.035,443 2.5,444 1,445 3.464,446 2,447 1,448 1.5,449 2.275,450 1,451 17.624,452 0.464,453 1.248,454 0.033,455 53.75,456 1.414,457 29,458 0.763,459 24.75,460 0.651,461 29.751,462 0.783,463 39.976,464 0.727,465 49.061,466 1.291,467 11.039,468 0.291,469 7.057,470 0.186,471 0.147,472 0.028,473 0.369,476 3,477 1,478 0.64,479 0.846,480 0.542,481 0.799,482 0.618,483 0.722,484 0.494,485 0.743,486 0.598,487 0.877,488 0.434,489 0.879,490 0.778,491 0.925,492 0.933,493 1.065,494 0.691,495 1.056,496 1.056,497 1.045,498 0.958,499 1.05,500 1.001,501 1.057,502 0.938,503 0.762,504 0.936,505 0.888,506 0.842,507 0.967,508 0.85,509 0.759,510 0.992,511 0.928,512 0.795,513 1.003,514 0.459,515 0.66,516 0.833,517 0.881,518 0.459,519 1.051,520 0.726,521 0.827,522 0.953,523 1.053,524 0.743,525 1.142,526 9.5,527 0.198,528 5.111,529 2.965,530 2.592,531 1.681,532 1.092,533 0.608,534 0.398,535 0.386,536 24843,537 97391,538 2.059,539 30.9,541 11,542 1,543 1,544 4,549 1.783,550 1.892,551 3.848,552 1.501,558 102.106,559 1.856,560 3.765,561 4.735,562 5.427,563 5.513,564 5.513,565 3.259,566 4.715,567 5.221,568 4.079,569 2867.54,570 9.168,571 49351.2,576 317.975,577 1.636,578 5.156,579 0.226,580 0.006,581 0.082,582 0.046,583 0.042,584 0.029,585 0.021,586 0.013,587 0.01,588 0.01,589 0.485,591 0.63,592 0.726,593 213.856,594 -0.074,595 0.007,596 -0.011,597 0.063,598 -0.11,599 0.076,600 0.294,601 0.231,602 0.054,603 0.034,604 0.315,605 -0.047,606 -0.071,607 -0.1,608 -0.108,609 -0.139,610 -0.028,611 -0.124,612 -0.138,613 -0.109,614 -0.089,615 -0.095,616 -0.121,617 -0.088,618 -0.035,619 0.048,620 -0.034,621 0.047,622 -0.012,623 0.01,624 0.097,625 0.142,626 -0.02,627 0.029,628 0.13,629 -0.027,630 0.254,631 0.116,632 0.066,633 0.054,634 0.252,635 -0.042,636 0.005,637 -0.027,638 0.026,639 -0.055,640 -0.024,641 -0.029,642 5.929,643 5.943,644 0.711,645 47.648,646 1.043,647 1.135,648 4.538,649 20.598,650 0.716,651 3.761,652 4.143,653 4.407,654 4.691,655 4.949,656 5.063,657 5.193,658 5.328,659 5.438,660 5.533,661 9.022,662 0.72,663 540.93,664 3.761,665 5.342,666 6.205,667 7.109,668 7.991,669 8.897,670 9.788,671 10.696,672 11.593,673 12.502,674 7.3,678 1,681 2,684 1,689 2,690 13,691 1,693 1,695 10,697 28,708 1,715 2,716 55,718 29,719 3,720 42,722 59,723 27,724 25,725 7,726 11,728 5,729 6,730 1,731 1,732 1,737 1,740 26,741 1,744 1,749 1,753 1,758 4,759 1,760 17,761 10,762 4,763 11,764 1,769 4,775 0.8,776 2,787 1,793 1,794 4,797 1,819 4,824 1,825 4,827 38,828 1,834 2,839 1,849 5,850 3.6,853 1,855 1,858 20.083,859 9.914,860 8.028,861 2.99,863 5.406,864 1.618,865 1.044,866 6.846,867 14.156,868 4.06,869 4.734,870 5.354,871 6,872 6.587,873 6.954,874 7.422,875 7.904,876 8.294,877 8.703,878 0.9,879 64,880 14.651,881 7.069,882 8.33,883 25.319,884 20.953,885 2.83,886 107.528,890 153.024,891 180.861,892 85.704,893 39.149,894 34.652,895 59.84,897 180.861,898 226.825,899 145.545,901 36.022,902 148.875,903 53.702,904 100.071,905 38.171,906 129.482,907 46.908,908 153.024,909 266.565,910 94.493,911 39.149,913 167.984,914 79.533,917 52.828,918 196.951,919 55.934,921 212.865,922 120.356,923 220.01,926 160.784,927 48.076,928 125.026,929 36.022,930 183.324,931 153.024,932 180.197,933 220.01,935 0.6,936 0.342,937 0.181,938 0.104,939 31,940 15,941 0.068,942 4,943 1,944 1.074,945 4.733,946 377.056,947 0.074,948 27,949 190.666,954 25.741,955 10.106,956 5.392,957 1.125,958 180.197,959 18.658,960 4.305,962 5.857,964 1.331,966 68.919,967 553.231,968 57,973 12.305,977 -0.913,980 57.389,981 62.452,983 0.321,984 0.651,985 0.819,986 0.939,987 0.954,988 0.954,989 5.323,990 2.012,991 6.24,992 6.285,993 4.828,994 5.423,995 3.244,996 7.109,997 4.732,998 6.579,999 1.837,1000 7.843,1001 5.448,1002 4.635,1003 5.359,1004 3.949,1005 8.244,1006 4.406,1007 7.919,1008 1.573,1009 9.552,1010 5.226,1011 6.518,1012 7.7,1013 5.464,1014 11.302,1015 6.33,1016 9.294,1017 1.473,1018 11.324,1019 4.624,1020 7.099,1021 8.425,1022 6.701,1023 13.245,1024 6.793,1025 10.699,1026 1.375,1027 13.136,1028 4.141,1029 8.519,1030 10.279,1031 8.065,1032 15.887,1033 8.23,1034 12.125,1035 1.157,1036 14.978,1037 3.61,1038 9.436,1039 11.393,1040 9.391,1041 18.145,1042 9.055,1043 13.569,1044 1.06,1045 16.842,1046 2.958,1047 10.692,1048 13.047,1049 10.736,1050 20.661,1051 10.305,1052 3.328,1053 1,1054 18.722,1055 2.551,1056 11.758,1057 14.366,1058 12.075,1059 23.043,1060 11.304,1061 3.314,1062 11.979,1063 20.615,1064 2.275,1065 12.959,1066 15.937,1067 13.417,1068 25.522,1069 12.483,1070 2.857,1071 11.704,1072 22.519,1073 4.724,1074 14.09,1075 17.363,1076 14.758,1077 27.954,1078 13.565,1079 2.797,1080 9.634,1081 24.431,1082 3.996,1083 15.276,1084 18.904,1085 16.1,1086 30.423,1087 14.724,1088 2.607,1089 8.726,1090 26.35,1091 3.851,1092 16.438,1093 20.385,1094 17.441,1095 32.877,1096 15.848,1097 2.393,1098 7.793,1099 28.274,1100 3.614,1101 17.622,1102 21.92,1103 18.783,1104 35.345,1105 17.004,1106 2.196,1107 7.176,1108 30.204,1109 3.352,1110 18.799,1111 23.431,1112 20.124,1113 37.808,1114 18.15,1115 23406,1116 46610,1117 27.452,1118 39.392,1119 64.973,1120 65.347,1121 66.238,1122 64.386,1123 63.965,1124 86.133,1125 11.457,1126 193.459,1127 60.598,1128 5.621,1129 6.461,1130 6.671,1131 5.354,1132 5.328,1133 7.724,1134 5.335,1135 19.539,1136 5.291,1137 22.867,1138 1.547,1139 1.556,1140 1.577,1141 1.533,1142 1.523,1143 2.051,1144 0.273,1145 4.606,1146 1.443,1147 4.151,1148 4.161,1149 4.141,1150 4.064,1151 8.513,1152 4.077,1153 3.958,1154 3.986,1155 3.955,1156 3.86,1157 8.201,1158 3.868,1159 3.894,1160 3.919,1161 3.929,1162 3.844,1163 7.999,1164 3.839,1165 3.795,1166 3.821,1167 3.788,1168 3.705,1169 7.999,1170 3.71,1171 3.465,1172 3.509,1173 3.458,1174 3.209,1175 7.431,1176 3.247,1177 3.323,1178 3.369,1179 3.354,1180 3.097,1181 5.26,1182 3.134,1183 3.258,1184 3.3,1185 3.278,1186 2.962,1187 4.958,1188 3.019,1189 3.094,1190 3.163,1191 3.197,1192 2.886,1193 4.911,1194 2.914,1195 0.113,1196 0.106,1197 0.169,1198 0.103,1199 0.079,1200 4.747,1201 0.112,1202 4.461,1203 0.091,1204 7.119,1205 0.285,1206 4.307,1207 0.078,1208 3.328,1209 4.724,1210 3.825,1211 11.979,1212 3.291,1213 1.993,1214 1.976,1215 2.054,1216 2.071,1217 1.208,1218 2.066,1219 1.914,1220 1.891,1221 2.001,1222 2.026,1223 1.108,1224 2.014,1225 1.889,1226 1.868,1227 1.968,1228 1.979,1229 1.084,1230 1.98,1231 1.712,1232 1.687,1233 1.789,1234 1.834,1235 0.888,1236 1.829,1237 1.38,1238 1.36,1239 1.486,1240 1.638,1241 0.54,1242 1.584,1243 1.228,1244 1.193,1245 1.356,1246 1.512,1247 0.316,1248 1.462,1249 1.051,1250 1.018,1251 1.212,1252 1.401,1253 0.218,1254 1.302,1255 0.951,1256 0.889,1257 1.181,1258 1.244,1259 0.195,1260 1.243,1261 4.443,1263 5.808,1264 2.398,1265 7.357,1266 4.727,1267 8.99,1268 6.88,1269 10.668,1272 6.133,1273 52.675,1275 6.171,1278 4.558,1283 -4.679,1289 39.617,1290 102.106,1291 207.06,1292 260.411,1293 298.465,1294 303.22,1295 303.22,1296 97.849,1297 8.75,1298 93.18,1299 93.18,1300 29,1301 13.02,1302 4.907,1303 4,1304 59.493,1305 211,1306 168,1307 0.138,1308 240.108,1309 423.47,1310 577.625,1311 94647,1312 9.1,1313 27.026,1314 0.711,1315 0.526,1316 24.156,1317 19.992,1318 18.096,1319 0.431,1320 0.273,1321 10.893,1322 16.958,1323 10.733,1324 8.798,1325 16.763,1326 11.445,1327 17.704,1328 0.286,1329 0.14,1330 15.636,1331 8.706,1332 14.092,1333 0.174,1334 0.074,1335 12.842,1336 5.991,1337 11.862,1338 0.11,1339 0.038,1340 11.411,1341 4.147,1342 9.849,1343 0.07,1344 0.02,1345 9.111,1346 2.79,1347 0.223,1348 117.915,1349 0.191,1350 34.852,1351 0.36,1352 208,1353 887.742,1354 257.201,1355 783.906,1356 1022.28,1357 724,1358 247,1359 706.013,1360 283.465,1361 700.675,1362 1047.22,1363 658,1364 6.41}
{0 CHEMBL394383,1 1.612,2 11.419,3 4.061,4 16.493,5 124.264,6 8.199,7 0.647,8 4.077,9 4.166,10 3.762,11 3.675,12 5.264,13 3.646,14 4.569,15 4.707,16 4.12,17 4.05,18 5.685,19 4.012,20 4.686,21 4.79,22 4.288,23 4.212,24 5.894,25 4.167,26 4.857,27 4.984,28 4.373,29 4.313,30 6.027,31 4.238,32 5.012,33 5.196,34 4.213,35 4.315,36 6.029,37 4.198,38 4.891,39 5.079,40 4.157,41 4.19,42 5.928,43 4.088,44 4.842,45 5.065,46 4.094,47 4.105,48 5.862,49 4.003,50 4.786,51 4.998,52 3.987,53 4.047,54 5.836,55 3.922,56 0.055,57 0.701,58 9.758,59 5.098,60 10.351,61 5.747,62 0.323,63 1.11,64 20.904,65 8.754,66 28.597,67 9.605,68 0.391,69 1.266,70 20.019,71 9.509,72 32.851,73 10.597,74 0.307,75 1.542,76 26.647,77 11.697,78 33.32,79 13.352,80 0.554,81 1.745,82 39.727,83 14.679,84 53.732,85 16.207,86 0.487,87 1.56,88 32.381,89 12.266,90 41.731,91 14.46,92 0.342,93 1.486,94 30.291,95 11.663,96 40.259,97 14.756,98 0.427,99 1.426,100 34.14,101 12.003,102 42.942,103 14.061,104 53,105 49,106 0.265,107 0.599,108 0.711,109 0.755,110 0.776,111 0.801,112 3.472,113 0.921,114 -3.97,115 -3.92,116 -3.72,118 45.3,119 1,123 3,138 6,139 6,140 3,141 1,143 1,147 1,148 1,152 1,158 1,159 1,160 1,167 11,171 6,172 1,173 1,175 1,178 17,180 1,181 2,182 8,186 1,188 13,190 1,191 1,192 11,197 3,199 13,201 3,204 4,208 3,211 9,213 3,214 2,215 7,220 4,223 8,225 4,227 1,228 6,233 1,235 8,237 1,240 4,242 2,243 2,247 6,251 1,252 7,254 2,255 2,257 1,260 3,262 1,264 1563,265 21.11,266 21.11,267 21.11,268 21.11,269 21.11,270 18.449,271 15.742,272 11.987,273 21.816,274 16.535,275 16.535,276 16.535,277 16.535,278 16.535,279 12.27,280 15.67,281 5.321,282 17.387,283 4.116,284 2.083,285 1.402,286 1.133,287 1.005,288 0.849,289 4.165,293 1,294 1,295 752,296 3.391,299 65.381,300 266.582,303 123.97,307 1.917,308 28.742,311 1,312 1,313 1,314 0.6,315 0.5,316 1,317 1,318 0.87,319 67,320 354,321 4.752,322 3.545,323 7.015,324 4.29,325 3.322,326 4.727,327 1.277,328 11.989,329 3.214,330 4.432,331 3.399,332 6.557,333 4.023,334 3.067,335 4.128,336 0.86,337 10.385,338 2.946,339 4.182,340 3.289,341 6.284,342 3.801,343 2.801,344 3.79,345 0.86,346 9.38,347 2.799,348 3.968,349 2.759,350 5.93,351 3.62,352 2.626,353 3.426,354 0.86,355 8.205,356 2.585,357 3.672,358 2.555,359 5.694,360 3.286,361 2.307,362 3.054,364 7.412,365 2.254,366 3.362,367 2.444,368 5.19,369 2.972,370 2.061,371 2.722,373 6.118,374 1.867,375 3.355,376 2.075,377 5.073,378 2.825,379 1.925,380 2.604,382 5.62,383 1.721,384 3.057,385 2.014,386 4.576,387 2.572,388 1.587,389 2.284,391 4.483,392 1.554,393 2.775,394 1.833,395 4.159,396 2.288,397 1.291,398 1.828,400 3.3,401 1.278,402 2.511,403 1.462,404 3.777,405 2,406 1.097,407 1.5,409 2.584,410 1,411 2.5,412 1.067,413 3.696,414 1.964,415 1,416 1.49,417 2.351,418 0.947,419 2.263,420 1,421 3.55,422 1.923,423 1,424 1.202,425 2.275,426 0.902,427 2.126,428 0.987,429 3.414,430 1.602,431 0.753,432 1.041,433 1.914,434 0.623,435 1.576,436 0.916,437 2.859,438 1.27,439 0.396,440 0.452,441 0.603,442 0.342,443 1.429,444 0.803,445 2.826,446 1.167,447 0.325,448 0.348,449 0.425,450 0.271,451 14.967,452 0.483,453 0.781,454 0.025,455 43,456 1.387,457 23.5,458 0.758,459 19.5,460 0.629,461 25.996,462 0.839,463 32.433,464 0.612,465 34.975,466 1.128,467 8.694,468 0.28,469 6.283,470 0.203,471 0.183,473 0.401,478 0.835,479 1.05,480 0.723,481 0.931,482 0.761,483 0.863,484 1.228,485 0.676,486 0.812,487 0.665,488 0.777,489 0.612,490 0.907,491 0.999,492 0.834,493 0.892,494 1.066,495 0.898,496 0.849,497 1.311,498 1.031,499 1.221,500 0.883,501 1.146,502 1.252,503 1.037,504 1.363,505 1.121,506 0.912,507 1.056,508 0.902,509 1.114,510 1.056,511 1.109,512 0.656,513 1.085,514 0.675,515 0.991,516 0.747,517 0.915,518 0.672,519 0.902,520 0.777,521 1.052,522 1.27,523 1.218,524 0.86,525 1.029,526 6,527 0.157,528 4.444,529 2.528,530 2.321,531 1.514,532 0.814,533 0.635,534 0.575,535 0.287,536 11721,537 34834,538 2.046,539 41.5,541 15,542 1,543 1,544 2,545 3,549 1.74,550 1.879,551 3.463,552 0.193,554 1,558 85.433,559 1.612,560 3.645,561 4.326,562 4.595,563 4.723,564 4.878,565 2.983,566 4.414,567 4.921,568 3.63,569 1688,570 8.618,571 23164.5,573 1,576 303.58,577 1.514,578 4.866,579 0.176,580 0.007,581 0.091,582 0.045,583 0.041,584 0.032,585 0.018,586 0.015,587 0.016,588 0.01,589 0.451,590 0.33,591 1,592 1,593 159.129,594 -0.052,596 0.058,597 0.017,598 -0.11,599 0.033,600 -0.143,601 0.334,602 0.131,603 0.332,604 -0.019,605 0.322,606 0.073,607 0.03,608 0.017,609 0.072,610 -0.044,611 0.003,612 0.024,613 -0.278,614 -0.048,615 -0.187,616 -0.036,617 -0.206,618 -0.209,619 -0.025,620 -0.201,621 -0.027,622 -0.131,623 -0.066,624 0.004,625 -0.099,626 -0.045,627 -0.107,628 -0.021,629 -0.11,630 0.087,631 0.003,632 0.21,633 0.045,634 0.052,635 0.106,636 0.062,637 -0.016,638 -0.042,639 -0.094,640 0.05,641 -0.002,642 1.632,643 4.604,644 0.677,645 31.557,646 1.008,647 1.111,648 2.737,649 7.49,650 0.7,651 3.555,652 3.912,653 4.263,654 4.564,655 4.812,656 4.977,657 5.159,658 5.328,659 5.468,660 5.553,661 6.67,662 0.667,663 434.55,664 3.555,665 5.118,666 6.004,667 6.911,668 7.816,669 8.729,670 9.641,671 10.559,672 11.475,673 12.395,674 3.8,678 1,684 1,689 2,690 8,691 1,694 1,695 9,697 22,702 1,708 1,714 3,716 53,718 23,719 2,720 34,722 56,723 24,724 19,725 6,726 6,727 1,728 4,729 5,732 1,740 20,741 4,744 1,749 1,753 1,757 1,760 22,761 6,762 2,763 7,764 1,769 2,775 0.75,776 4,787 1,793 1,794 3,797 1,819 3,821 1,823 4,827 31,828 1,835 3,845 1,850 7.5,853 1,855 3,858 16.5,859 11.033,860 7,861 2.832,863 4.463,864 1.553,865 0.993,866 6.053,867 12.536,868 3.85,869 4.525,870 5.221,871 5.882,872 6.476,873 6.932,874 7.455,875 7.961,876 8.406,877 8.835,878 0.875,879 56,880 11.397,881 4.797,882 7.769,883 21.578,884 17.431,885 2.269,886 70.333,889 1,890 235.422,891 188.744,892 49.683,894 58.145,896 31.278,897 157.467,898 293.567,899 49.683,900 41.474,902 97.404,903 58.835,904 76.278,905 14.845,906 243.158,908 235.422,909 207.149,910 58.145,911 31.278,913 235.422,914 58.145,917 17.873,918 172.491,919 16.786,920 31.278,921 235.422,922 107.827,923 188.744,926 235.422,927 73.716,928 115.028,930 107.827,931 235.422,932 107.827,933 188.744,935 0.582,936 0.369,937 0.205,938 0.11,939 24,940 12,941 0.107,942 6,943 1,944 1.095,945 4.003,946 294.375,947 0.095,948 21,949 141.58,950 1,954 21.44,955 8.752,956 3.828,957 1.888,958 107.827,959 15.143,960 4.459,963 1.592,964 6.557,966 32.897,967 531.994,968 46,973 11.604,977 0.035,980 53.425,981 58.906,983 0.281,984 0.636,985 0.755,986 0.802,987 0.824,988 0.852,989 5.097,990 1.587,991 6.014,992 5.62,993 4.595,994 5.212,995 2.164,996 6.897,997 4.512,998 6.343,999 1.291,1000 7.622,1001 4.483,1002 4.29,1003 5.165,1005 7.958,1006 4.214,1007 7.684,1008 1.097,1009 9.331,1010 3.3,1011 6.26,1012 7.533,1013 2.263,1014 11.084,1015 6.127,1016 9.068,1017 1,1018 11.097,1019 2.584,1020 6.781,1021 8.323,1023 12.959,1024 6.639,1025 10.483,1026 1,1027 12.899,1028 2.351,1029 8.227,1030 10.17,1031 2.495,1032 15.621,1033 8.048,1034 11.921,1035 0.753,1036 14.726,1037 2.275,1038 9.107,1039 11.344,1041 17.826,1042 8.903,1043 13.376,1044 0.396,1045 16.571,1046 1.914,1047 10.365,1048 12.991,1049 2.832,1050 20.342,1051 10.13,1052 3.322,1053 0.325,1054 18.429,1055 0.603,1056 11.404,1057 14.351,1059 22.689,1060 11.136,1061 3.067,1062 11.989,1063 20.298,1064 0.425,1065 12.595,1066 15.92,1067 3.238,1068 25.161,1069 12.296,1070 2.801,1071 10.385,1072 22.176,1073 4.727,1074 13.706,1075 17.37,1077 27.572,1078 13.371,1079 2.626,1080 9.38,1081 24.061,1082 4.128,1083 14.878,1084 18.912,1085 3.683,1086 30.033,1087 14.51,1088 2.307,1089 8.205,1090 25.953,1091 3.79,1092 16.023,1093 20.407,1095 32.474,1096 15.617,1097 2.061,1098 7.412,1099 27.85,1100 3.426,1101 17.192,1102 21.942,1103 4.149,1104 34.937,1105 16.752,1106 1.925,1107 6.118,1108 29.752,1109 3.054,1110 18.353,1111 23.46,1113 37.394,1114 17.877,1115 11456,1116 19860,1117 22.194,1118 37.091,1119 51.331,1120 52.825,1121 54.889,1122 50.881,1123 51.117,1124 69.192,1125 7.715,1126 154.085,1127 48.61,1128 5.434,1129 5.545,1130 6.557,1131 5.398,1132 5.322,1133 7.727,1134 2.555,1135 19.563,1136 5.214,1137 18.3,1138 1.51,1139 1.554,1140 1.614,1141 1.497,1142 1.503,1143 2.035,1144 0.227,1145 4.532,1146 1.43,1147 4.138,1148 4.146,1149 4.345,1150 4.141,1151 7.428,1152 4.105,1153 3.922,1154 3.934,1155 3.887,1156 3.855,1157 5.189,1158 3.857,1159 3.828,1160 3.84,1161 3.842,1162 3.76,1163 4.969,1164 3.751,1165 3.438,1166 3.477,1167 3.453,1168 3.285,1169 4.744,1170 3.294,1171 3.303,1172 3.355,1173 3.321,1174 3.146,1175 4.583,1176 3.118,1177 3.275,1178 3.326,1179 3.144,1180 3.011,1181 4.58,1182 3.026,1183 3.227,1184 3.289,1185 3.133,1186 3.006,1187 4.457,1188 3.01,1189 3.192,1190 3.272,1191 2.977,1192 2.898,1193 4.239,1194 2.897,1195 0.14,1196 0.104,1197 0.206,1198 0.126,1199 0.098,1200 4.752,1201 0.139,1202 3.545,1203 0.038,1204 7.015,1205 0.353,1206 4.29,1207 0.095,1208 3.322,1209 4.727,1210 1.277,1211 11.989,1212 3.214,1213 1.994,1214 1.982,1215 2.056,1216 2.069,1217 1.221,1218 2.064,1219 1.919,1220 1.905,1221 1.988,1222 1.999,1223 1.131,1224 2.001,1225 1.722,1226 1.708,1227 1.79,1228 1.863,1229 0.917,1230 1.844,1231 1.46,1232 1.448,1233 1.656,1234 1.615,1235 0.732,1236 1.634,1237 1.267,1238 1.226,1239 1.59,1240 1.558,1241 0.585,1242 1.565,1243 1.227,1244 1.163,1245 1.571,1246 1.514,1247 0.584,1248 1.532,1249 1.181,1250 1.112,1251 1.532,1252 1.463,1253 0.569,1254 1.489,1255 1.143,1256 1.062,1257 1.341,1258 1.317,1259 0.543,1260 1.381,1261 4.234,1263 5.58,1264 2.398,1265 7.136,1266 4.727,1267 8.79,1268 6.88,1269 10.495,1271 6.31,1275 6.294,1279 16.452,1289 35.357,1290 85.433,1291 193.176,1292 229.276,1293 243.541,1294 250.296,1295 258.56,1296 53.678,1297 8.073,1298 83.67,1299 111.91,1300 23,1301 12.904,1302 4.585,1303 3.7,1304 49.301,1305 123,1306 134,1307 0.2,1308 219.916,1309 377.35,1310 528.355,1311 35033,1313 22.121,1314 0.714,1315 0.597,1316 22.474,1317 18.501,1318 14.977,1319 0.441,1320 0.307,1321 9.467,1322 13.892,1323 9.003,1324 7.536,1325 15.431,1326 10.435,1327 13.26,1328 0.271,1329 0.16,1330 13.784,1331 7.838,1332 11.897,1333 0.17,1334 0.089,1335 12.601,1336 6.216,1337 10.231,1338 0.108,1339 0.05,1340 11.2,1341 4.726,1342 8.256,1343 0.068,1344 0.027,1345 9.117,1346 3.239,1347 0.309,1348 99.07,1349 0.212,1350 28.676,1351 0.563,1352 166,1353 516.76,1354 201.825,1355 512.47,1356 702.75,1357 482,1358 202,1359 497.983,1360 237.729,1361 525.782,1362 770.38,1363 489,1364 4.602}
{0 CHEMBL394384,1 1.672,2 10,3 3.171,4 10.053,5 111.705,6 8.372,7 0.71,8 3.972,9 4.064,10 3.684,11 3.558,12 5.164,13 3.536,14 4.454,15 4.591,16 4.025,17 3.929,18 5.555,19 3.896,20 4.541,21 4.648,22 4.186,23 4.082,24 5.694,25 4.037,26 4.714,27 4.842,28 4.288,29 4.182,30 5.848,31 4.112,32 4.87,33 5.041,34 4.159,35 4.19,36 5.902,37 4.09,38 4.781,39 4.959,40 4.087,41 4.076,42 5.862,43 3.984,44 4.758,45 4.998,46 3.928,47 3.955,48 5.734,49 3.845,50 4.619,51 4.852,52 3.674,53 3.823,54 5.604,55 3.688,56 0.058,57 0.659,58 8.444,59 4.366,60 10.183,61 4.837,62 0.334,63 1.026,64 18.473,65 7.434,66 25.665,67 7.866,68 0.338,69 1.15,70 16.576,71 7.998,72 18.566,73 8.962,74 0.28,75 1.389,76 22.836,77 9.907,78 22.249,79 11.209,80 0.51,81 1.562,82 34.469,83 12.3,84 39.251,85 13.062,86 0.502,87 1.426,88 27.267,89 10.519,90 40.676,91 12.114,92 0.357,93 1.37,94 29.471,95 10.727,96 36.756,97 13.653,98 0.404,99 1.217,100 29.403,101 9.881,102 37.948,103 11.822,104 26,105 44,106 0.282,107 0.608,108 0.726,109 0.774,110 0.791,111 0.821,112 3.376,113 0.912,114 -3.39,115 -3.38,116 -3.23,118 44.7,123 3,138 4,139 5,140 3,141 3,143 1,147 1,148 1,158 1,159 1,160 1,167 7,171 6,172 1,173 1,175 1,178 10,180 1,181 2,182 8,186 1,188 6,190 1,191 1,192 10,197 3,199 8,201 3,204 3,208 2,211 5,213 2,214 3,215 6,217 1,218 1,220 3,223 4,225 3,227 1,228 5,235 3,240 5,242 2,243 2,247 2,252 3,254 1,255 1,264 1156,265 19.455,266 19.455,267 19.455,268 19.455,269 19.455,270 16.911,271 13.314,272 11.266,273 20.272,274 15.101,275 15.101,276 15.101,277 15.101,278 15.101,279 11.102,280 13.829,281 5.025,282 16.117,283 3.882,284 1.948,285 1.251,286 0.963,287 0.862,288 0.686,289 4.072,293 1,294 1,295 602,296 2.828,299 55.674,300 231.544,303 106.032,307 1.5,308 21.867,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 60.5,320 280,321 4.751,322 3.399,323 7.015,324 4.288,325 3.321,326 4.727,327 0.86,328 11.988,329 3.211,330 4.431,331 3.289,332 6.557,333 4.02,334 3.065,335 4.126,336 0.86,337 10.385,338 2.935,339 4.07,340 2.758,341 6.281,342 3.687,343 2.712,344 3.633,345 0.86,346 9.369,347 2.624,348 3.75,349 2.555,350 5.722,351 3.337,352 2.366,353 3.215,355 7.527,356 2.294,357 3.393,358 2.431,359 5.19,360 2.972,361 2.061,362 2.776,364 6.118,365 1.867,366 3.355,367 2.051,368 5.073,369 2.854,370 1.954,371 2.604,373 5.62,374 1.755,375 3.147,376 1.955,377 4.593,378 2.649,379 1.694,380 2.428,382 4.583,383 1.604,384 2.829,385 1.67,386 4.169,387 2.329,388 1.378,389 1.978,391 3.423,392 1.307,393 2.5,394 1.356,395 3.764,396 1.96,397 1.099,398 1.5,400 2.5,401 0.956,402 2.5,403 1,404 3.553,405 1.941,406 1,407 1.5,409 2.347,410 0.925,411 2.253,412 1,413 3.482,414 1.917,415 1,416 1.198,417 2.136,418 0.899,419 2.122,420 0.986,421 3.247,422 1.592,423 0.742,424 1.031,425 1.89,426 0.615,427 1.576,428 0.916,429 2.859,430 1.27,431 0.396,432 0.452,433 0.603,434 0.342,435 1.429,436 0.772,437 2.826,438 1.167,439 0.325,440 0.348,441 0.425,442 0.271,443 1.282,444 0.2,445 2.538,446 0.902,447 -0.023,448 -0.029,449 -0.051,450 -0.021,451 13.533,452 0.483,453 0.585,454 0.021,455 40.25,456 1.438,457 22,458 0.786,459 18.25,460 0.652,461 21.697,462 0.775,463 29.067,464 0.618,465 30.562,466 1.091,467 8.137,468 0.291,469 5.535,470 0.198,471 0.14,473 0.369,478 0.926,479 1.111,480 0.713,481 0.932,482 1.009,483 0.849,484 1.427,485 0.67,486 0.864,487 0.632,488 1.087,489 0.59,490 0.79,491 1.022,492 0.793,493 0.895,494 0.773,495 0.885,496 0.834,497 1.286,498 0.993,499 1.2,500 0.84,501 1.09,502 1.416,503 1.097,504 1.423,505 1.188,506 1.203,507 1.073,508 1.012,509 1.079,510 1.042,511 1.122,512 1.071,513 1.149,514 0.705,515 1.001,516 0.787,517 0.95,518 0.854,519 0.923,520 0.814,521 0.967,522 1.305,523 1.167,524 0.853,525 1.035,526 4.5,527 0.083,528 3.556,529 2.215,530 2.05,531 1.278,532 0.669,533 0.485,534 0.385,535 0.203,536 8740,537 25532,538 2.094,539 40.4,541 13,542 1,543 3,544 2,549 1.716,550 1.953,551 3.298,552 0.247,553 1,554 1,558 78.607,559 1.672,560 3.607,561 4.304,562 4.591,563 4.692,564 4.868,565 2.72,566 4.066,567 4.778,568 3.416,569 1291.2,570 8.34,571 16263.3,573 1,575 1,576 261.066,577 1.432,578 4.736,579 0.145,580 0.005,581 0.081,582 0.044,583 0.04,584 0.028,585 0.017,586 0.014,587 0.014,588 0.01,589 0.398,590 0.33,591 1,592 0.918,593 137.658,594 -0.069,595 -0.056,596 0.062,597 -0.002,598 -0.137,599 0.023,600 -0.219,601 0.348,602 0.083,603 0.356,604 -0.115,605 0.322,606 0.147,607 0.013,608 0.05,609 0.066,610 0.058,611 0.01,612 0.059,613 -0.253,614 0.008,615 -0.156,616 0.036,617 -0.155,618 -0.256,619 -0.085,620 -0.239,621 -0.077,622 -0.194,623 -0.102,624 0.023,625 -0.084,626 -0.082,627 -0.154,628 -0.045,629 -0.2,630 0.103,631 -0.05,632 0.197,633 0.016,634 0.108,635 0.108,636 0.04,637 0.036,638 -0.118,639 -0.08,640 0.105,641 0.002,642 1.175,643 2.249,644 0.75,645 24.592,646 1.009,647 1.114,648 2.165,649 4.685,650 0.705,651 3.466,652 3.807,653 4.174,654 4.5,655 4.745,656 4.875,657 5.05,658 5.215,659 5.323,660 5.394,661 5.879,662 0.673,663 393.5,664 3.466,665 5.017,666 5.905,667 6.812,668 7.72,669 8.636,670 9.55,671 10.47,672 11.388,673 12.311,674 6.4,678 1,684 2,689 2,690 8,691 2,694 1,695 8,697 22,708 1,714 3,716 47,718 22,719 1,720 31,722 50,723 21,724 18,725 4,726 2,728 4,729 5,740 18,741 3,757 1,760 19,761 6,762 2,763 7,764 1,769 3,775 0.75,776 3,787 2,793 1,794 3,797 1,819 3,821 1,823 3,827 28,828 1,835 3,845 1,850 6.4,855 3,858 14.333,859 9.567,860 6.389,861 2.444,863 4.29,864 1.551,865 1.004,866 5.265,867 12.081,868 3.761,869 4.434,870 5.145,871 5.824,872 6.417,873 6.844,874 7.363,875 7.873,876 8.284,877 8.696,878 0.857,879 50,880 10.261,881 4.291,882 7.679,883 19.521,884 15.711,885 2.179,886 61,889 1,890 200.109,891 170.742,892 66.468,894 33,896 31.278,897 139.465,898 233.108,899 66.468,900 32.649,902 78.451,903 68.884,904 91.187,905 14.845,906 184.302,908 200.109,909 205.933,910 33,911 31.278,913 200.109,914 33,917 27.142,918 145.22,919 33.571,920 31.278,921 200.109,922 99.468,923 170.742,926 200.109,927 65.397,928 105.345,930 99.468,931 200.109,932 99.468,933 170.742,935 0.573,936 0.369,937 0.217,938 0.118,939 22,940 10,941 0.1,942 5,943 1,944 1.095,945 3.79,946 258.669,947 0.095,948 21,949 126.606,950 1,954 18.813,955 7.836,956 3.275,957 1.963,958 99.468,959 15.192,960 8.665,963 1.621,964 6.102,966 32.897,967 470.319,968 42,980 47.433,981 52.365,983 0.301,984 0.649,985 0.775,986 0.827,987 0.845,988 0.876,989 4.994,990 1.378,991 5.9,992 4.583,993 4.489,994 5.121,995 1.693,996 6.783,997 4.376,998 6.229,999 1.099,1000 7.502,1001 3.423,1002 4.111,1003 5.007,1005 7.842,1006 3.997,1007 7.564,1008 1,1009 9.208,1010 2.5,1011 6.142,1012 7.445,1013 1.454,1014 10.995,1015 5.962,1016 8.945,1017 1,1018 10.976,1019 2.347,1020 6.635,1021 8.208,1023 12.888,1024 6.44,1025 10.36,1026 0.742,1027 12.783,1028 2.136,1029 8.112,1030 10.091,1031 1.232,1032 15.565,1033 7.874,1034 11.8,1035 0.396,1036 14.617,1037 1.89,1038 8.988,1039 11.26,1041 17.785,1042 8.723,1043 13.26,1044 0.325,1045 16.47,1046 0.603,1047 10.264,1048 12.926,1049 1.028,1050 20.31,1051 9.964,1052 3.321,1053 -0.023,1054 18.337,1055 0.425,1056 11.309,1057 14.29,1059 22.667,1060 10.975,1061 3.065,1062 11.988,1063 20.215,1064 -0.051,1065 12.512,1066 15.871,1067 0.845,1068 25.144,1069 12.146,1070 2.712,1071 10.385,1072 22.101,1073 4.727,1074 13.631,1075 17.327,1077 27.559,1078 13.229,1079 2.366,1080 9.369,1081 23.994,1082 4.126,1083 14.812,1084 18.876,1085 0.684,1086 30.024,1087 14.378,1088 2.061,1089 7.527,1090 25.892,1091 3.633,1092 15.964,1093 20.376,1095 32.467,1096 15.494,1097 1.954,1098 6.118,1099 27.796,1100 3.215,1101 17.14,1102 21.916,1103 0.546,1104 34.932,1105 16.637,1106 1.694,1107 5.62,1108 29.704,1109 2.776,1110 18.307,1111 23.438,1113 37.39,1114 17.769,1115 8460,1116 14578,1117 20.69,1118 33.12,1119 46.275,1120 47.298,1121 49.203,1122 46.04,1123 46.228,1124 63.037,1125 5.16,1126 137.825,1127 43.208,1128 5.428,1129 5.399,1130 6.817,1131 5.395,1132 5.321,1133 7.727,1134 1.72,1135 19.562,1136 5.211,1137 13.651,1138 1.493,1139 1.526,1140 1.587,1141 1.485,1142 1.491,1143 2.033,1144 0.166,1145 4.446,1146 1.394,1147 4.131,1148 4.141,1149 4.344,1150 4.134,1151 5.191,1152 4.096,1153 3.899,1154 3.911,1155 3.884,1156 3.817,1157 4.97,1158 3.823,1159 3.767,1160 3.8,1161 3.752,1162 3.67,1163 4.899,1164 3.667,1165 3.312,1166 3.355,1167 3.452,1168 3.204,1169 4.62,1170 3.187,1171 3.303,1172 3.351,1173 3.151,1174 3.012,1175 4.58,1176 3.026,1177 3.237,1178 3.306,1179 3.144,1180 3.006,1181 4.458,1182 3.011,1183 3.192,1184 3.273,1185 2.981,1186 2.899,1187 4.267,1188 2.897,1189 2.983,1190 3.075,1191 2.863,1192 2.82,1193 4.104,1194 2.786,1195 0.153,1196 0.11,1197 0.226,1198 0.138,1199 0.107,1200 4.751,1201 0.152,1202 3.399,1203 0.028,1204 7.015,1205 0.387,1206 4.288,1207 0.104,1208 3.321,1209 4.727,1210 0.86,1211 11.988,1212 3.211,1213 1.983,1214 1.971,1215 2.027,1216 2.064,1217 1.207,1218 2.056,1219 1.861,1220 1.839,1221 1.947,1222 1.969,1223 1.05,1224 1.964,1225 1.698,1226 1.68,1227 1.767,1228 1.844,1229 0.871,1230 1.828,1231 1.353,1232 1.342,1233 1.59,1234 1.558,1235 0.595,1236 1.565,1237 1.227,1238 1.163,1239 1.571,1240 1.516,1241 0.584,1242 1.534,1243 1.183,1244 1.114,1245 1.535,1246 1.472,1247 0.57,1248 1.5,1249 1.145,1250 1.062,1251 1.36,1252 1.344,1253 0.543,1254 1.401,1255 0.901,1256 0.835,1257 1.189,1258 1.221,1259 0.148,1260 1.227,1261 4.143,1263 5.476,1264 2.398,1265 7.031,1266 4.727,1267 8.687,1268 6.88,1269 10.397,1271 4.787,1275 6.249,1279 16.42,1289 31.61,1290 78.607,1291 169.517,1292 202.272,1293 215.781,1294 220.536,1295 228.801,1296 39.191,1297 7.791,1298 79.49,1299 107.73,1300 23,1301 12.819,1302 4.524,1303 3.585,1304 42.187,1305 98,1306 100,1307 0.215,1308 196.865,1309 330.3,1310 472.11,1311 24388,1313 19.673,1314 0.703,1315 0.591,1316 20.027,1317 16.54,1318 13.673,1319 0.441,1320 0.304,1321 8.449,1322 12.589,1323 8.069,1324 6.753,1325 14.127,1326 9.42,1327 11.739,1328 0.267,1329 0.158,1330 12.264,1331 6.946,1332 10.787,1333 0.169,1334 0.087,1335 11.492,1336 5.586,1337 9.554,1338 0.107,1339 0.049,1340 10.522,1341 4.364,1342 7.823,1343 0.069,1344 0.026,1345 8.683,1346 2.988,1347 0.327,1348 91.165,1349 0.22,1350 26.104,1351 0.621,1352 150,1353 464.669,1354 185.109,1355 463.483,1356 641.72,1357 438,1358 183,1359 458.459,1360 218.566,1361 485.519,1362 711.84,1363 451,1364 5.409}
{0 CHEMBL394638,1 1.722,2 11.531,3 3.847,4 14.802,5 127.616,6 8.715,7 0.629,8 4.105,9 4.179,10 3.954,11 3.732,12 5.256,13 3.681,14 4.617,15 4.737,16 4.245,17 4.103,18 5.897,19 4.055,20 4.746,21 4.842,22 4.375,23 4.259,24 6.01,25 4.205,26 4.898,27 5.018,28 4.432,29 4.345,30 6.117,31 4.267,32 5.038,33 5.219,34 4.26,35 4.334,36 6.086,37 4.217,38 4.902,39 5.086,40 4.228,41 4.216,42 5.951,43 4.106,44 4.866,45 5.078,46 4.257,47 4.162,48 5.92,49 4.041,50 4.831,51 5.029,52 4.187,53 4.103,54 5.938,55 3.979,56 0.126,57 0.747,58 11.446,59 5.772,60 19.133,61 5.804,62 0.508,63 1.183,64 24.608,65 9.916,66 63.018,67 9.884,68 0.535,69 1.351,70 22.219,71 10.56,72 51.765,73 10.795,74 0.447,75 1.608,76 27.646,77 12.509,78 44.905,79 13.474,80 0.719,81 1.783,82 40.125,83 15.15,84 68.373,85 16.22,86 0.571,87 1.589,88 32.097,89 12.74,90 45.536,91 14.513,92 0.448,93 1.547,94 35.202,95 13.064,96 47.908,97 15.058,98 0.565,99 1.513,100 37.699,101 12.845,102 56.154,103 14.198,104 66,105 52,106 0.281,107 0.61,108 0.72,109 0.764,110 0.772,111 0.797,112 3.503,113 1.056,114 -3.74,115 -3.7,116 -3.52,118 42.6,123 4,138 6,139 5,140 4,141 1,143 1,147 1,148 1,158 1,159 1,160 1,167 9,170 1,171 4,172 1,173 1,175 1,178 14,180 1,181 2,182 10,186 1,188 10,190 1,191 1,192 13,197 3,199 10,201 3,204 5,208 3,211 7,213 3,214 2,215 8,220 4,223 6,225 4,227 1,228 6,235 6,240 5,242 2,243 2,247 4,251 2,252 7,254 3,255 3,264 1702,265 21.375,266 21.375,267 21.375,268 21.375,269 21.375,270 18.557,271 16.466,272 11.983,273 22.371,274 17.042,275 17.042,276 17.042,277 17.042,278 17.042,279 12.492,280 16.313,281 5.33,282 18.394,283 4.033,284 2.015,285 1.339,286 1.075,287 1.024,288 0.871,289 4.192,293 1,294 1,295 781,296 3.808,299 68.663,300 278.468,303 130.03,307 1.969,308 38.396,311 1,312 0.83,313 1,314 0.6,315 0.5,316 1,317 1,318 0.85,319 70,320 369,321 4.806,322 5.18,323 7.112,324 4.293,325 3.338,326 4.732,327 2.95,328 11.991,329 3.214,330 4.745,331 3.399,332 7.014,333 4.174,334 3.296,335 4.654,336 0.86,337 11.655,338 2.944,339 4.43,340 3.29,341 6.557,342 4.017,343 3.064,344 4.126,345 0.86,346 10.385,347 2.825,348 4.064,349 2.786,350 6.281,351 3.678,352 2.703,353 3.621,354 0.86,355 9.368,356 2.608,357 3.749,358 2.622,359 5.724,360 3.33,361 2.357,362 3.216,364 7.537,365 2.285,366 3.405,367 2.555,368 5.19,369 2.972,370 2.061,371 2.789,373 6.118,374 1.867,375 3.355,376 2.369,377 5.073,378 2.863,379 1.956,380 2.604,382 5.62,383 1.777,384 3.212,385 2.045,386 4.734,387 2.693,388 1.736,389 2.501,391 5.09,392 1.635,393 2.91,394 1.916,395 4.474,396 2.399,397 1.439,398 2.087,400 4.177,401 1.375,402 2.537,403 1.537,404 4.093,405 2,406 1.109,407 1.552,409 2.94,410 1,411 2.5,412 1.162,413 3.755,414 1.99,415 1.035,416 1.5,417 2.354,418 0.973,419 2.269,420 1,421 3.55,422 1.925,423 1,424 1.211,425 2.275,426 0.903,427 2.127,428 0.988,429 3.414,430 1.604,431 0.765,432 1.05,433 1.931,434 0.625,435 1.576,436 0.916,437 2.859,438 1.27,439 0.396,440 0.452,441 0.603,442 0.342,443 1.429,444 0.87,445 2.843,446 1.167,447 0.325,448 0.348,449 0.425,450 0.271,451 15.633,452 0.489,453 0.98,454 0.031,455 45.25,456 1.414,457 25,458 0.781,459 20.25,460 0.633,461 27.082,462 0.846,463 34.167,464 0.633,465 37.717,466 1.179,467 8.85,468 0.277,469 6.427,470 0.201,471 0.196,472 0.053,473 0.352,478 0.726,479 1.093,480 0.782,481 1.052,482 0.77,483 0.873,484 1.136,485 0.724,486 0.956,487 0.789,488 0.692,489 0.638,490 1.004,491 0.987,492 0.911,493 0.899,494 1.156,495 0.906,496 0.878,497 1.283,498 0.991,499 1.155,500 0.882,501 1.142,502 1.164,503 0.997,504 1.138,505 0.988,506 0.822,507 1.043,508 0.805,509 1.087,510 0.908,511 1.007,512 0.516,513 1.076,514 0.644,515 0.986,516 0.686,517 0.866,518 0.586,519 0.899,520 0.775,521 1.076,522 1.112,523 1.183,524 0.893,525 1.018,526 7.5,527 0.202,528 4.889,529 2.778,530 2.361,531 1.632,532 0.895,533 0.719,534 0.68,535 0.337,536 12764,537 42202,538 2.019,539 40.7,541 18,542 1,543 1,544 2,549 1.747,550 1.837,551 3.47,552 0.239,554 1,558 93.005,559 1.722,560 3.74,561 4.416,562 4.68,563 4.731,564 4.884,565 2.989,566 4.476,567 4.968,568 3.67,569 1820.33,570 8.707,571 25659.3,576 310.764,577 1.693,578 4.896,579 0.214,580 0.008,581 0.094,582 0.048,583 0.041,584 0.033,585 0.02,586 0.016,587 0.017,588 0.011,589 0.502,590 0.33,591 0.88,592 1.011,593 166.208,594 0.007,595 -0.01,596 0.151,597 -0.005,598 -0.181,599 0.042,600 -0.069,601 0.299,602 0.039,603 0.246,604 0.178,605 0.299,606 -0.02,607 0.036,608 -0.068,609 0.053,610 -0.099,611 -0.009,612 -0.027,613 -0.265,614 -0.105,615 -0.184,616 -0.056,617 -0.211,618 -0.204,619 -0.015,620 -0.166,621 -0.008,622 -0.121,623 -0.063,624 0.003,625 -0.091,626 -0.015,627 -0.076,628 -0.01,629 -0.101,630 0.08,631 0.005,632 0.253,633 0.083,634 0.053,635 0.116,636 0.067,637 -0.049,638 0.038,639 -0.094,641 0.008,642 4.186,643 4.792,644 0.656,645 33.199,646 1.015,647 1.112,648 2.507,649 6.287,650 0.707,651 3.584,652 3.97,653 4.29,654 4.585,655 4.828,656 5.004,657 5.193,658 5.357,659 5.509,660 5.598,661 6.868,662 0.671,663 470.61,664 3.584,665 5.165,666 6.047,667 6.965,668 7.867,669 8.787,670 9.696,671 10.618,672 11.531,673 12.455,674 3.7,678 1,684 1,689 2,690 8,691 1,694 1,695 9,697 22,708 1,714 3,716 54,718 24,719 2,720 35,722 57,723 23,724 19,725 6,726 6,728 4,729 5,740 19,741 4,744 2,747 1,749 2,757 1,760 22,761 7,762 2,763 9,764 2,769 2,775 0.75,776 5,787 1,793 1,794 3,797 1,819 3,821 2,823 4,827 32,828 1,830 1,835 3,845 1,850 9.3,853 2,855 3,858 17.417,859 11.117,860 7.056,861 2.742,863 4.552,864 1.558,865 1,866 6.231,867 12.704,868 3.892,869 4.608,870 5.253,871 5.907,872 6.496,873 6.964,874 7.496,875 7.993,876 8.452,877 8.89,878 0.875,879 58,880 11.949,881 5.272,882 7.893,883 22.226,884 18.327,885 2.393,886 76.583,890 235.422,891 186.387,892 49.683,894 77.313,896 37.324,897 149.064,898 312.735,899 49.683,900 39.84,902 103.45,903 72.87,904 74.643,905 14.845,906 243.158,908 235.422,909 198.746,910 77.313,911 37.324,913 235.422,914 77.313,917 9.047,918 172.913,919 22.831,920 31.278,921 235.422,922 126.995,923 186.387,925 6.046,926 235.422,927 66.948,928 113.394,930 126.995,931 235.422,932 126.995,933 186.387,935 0.593,936 0.365,937 0.199,938 0.105,939 26,940 13,941 0.105,942 6,943 1,944 1.095,945 4.04,946 308.269,947 0.095,948 21,949 146,950 1,953 1,954 22.679,955 8.792,956 4.147,957 1.766,958 126.995,959 14.224,960 4.428,963 1.54,964 5.736,966 32.897,967 548.805,968 48,971 -3.269,973 23.583,980 54.829,981 60.036,983 0.299,984 0.65,985 0.767,986 0.813,987 0.822,988 0.849,989 5.156,990 1.736,991 6.094,992 5.62,993 4.654,994 5.296,995 3.129,996 7.008,997 4.518,998 6.437,999 1.439,1000 7.728,1001 5.09,1002 4.511,1003 5.46,1005 8.239,1006 4.29,1007 7.816,1008 1.109,1009 9.469,1010 4.177,1011 6.392,1012 7.709,1013 5.048,1014 11.304,1015 6.135,1016 9.239,1017 1.035,1018 11.271,1019 2.94,1020 7.04,1021 8.666,1023 13.298,1024 6.681,1025 10.693,1026 1,1027 13.111,1028 2.354,1029 8.452,1030 10.451,1031 7.187,1032 15.943,1033 8.062,1034 12.169,1035 0.765,1036 14.975,1037 2.275,1038 9.418,1039 11.736,1041 18.216,1042 8.931,1043 13.663,1044 0.396,1045 16.858,1046 1.931,1047 10.674,1048 13.36,1049 9.348,1050 20.732,1051 10.147,1052 3.338,1053 0.325,1054 18.753,1055 0.603,1056 11.769,1057 14.787,1059 23.115,1060 11.158,1061 3.296,1062 11.991,1063 20.657,1064 0.425,1065 12.973,1066 16.352,1067 11.511,1068 25.589,1069 12.314,1070 3.064,1071 11.655,1072 22.57,1073 4.732,1074 14.121,1075 17.84,1077 28.016,1078 13.389,1079 2.703,1080 10.385,1081 24.488,1082 4.654,1083 15.31,1084 19.386,1085 13.675,1086 30.48,1087 14.526,1088 2.357,1089 9.368,1090 26.411,1091 4.126,1092 16.48,1093 20.902,1095 32.927,1096 15.633,1097 2.061,1098 7.537,1099 28.338,1100 3.621,1101 17.666,1102 22.442,1103 15.838,1104 35.389,1105 16.766,1106 1.956,1107 6.118,1108 30.268,1109 3.216,1110 18.846,1111 23.971,1113 37.846,1114 17.89,1115 12508,1116 22878,1117 22.482,1118 38.193,1119 53.087,1120 56.126,1121 56.682,1122 53.063,1123 53.161,1124 72.883,1125 11.06,1126 164.935,1127 49.29,1128 5.493,1129 7.18,1130 6.654,1131 5.404,1132 5.338,1133 7.732,1134 5.9,1135 19.568,1136 5.214,1137 20.158,1138 1.517,1139 1.604,1140 1.619,1141 1.516,1142 1.519,1143 2.082,1144 0.316,1145 4.712,1146 1.408,1147 4.156,1148 4.156,1149 4.735,1150 4.165,1151 7.716,1152 4.116,1153 4.025,1154 4,1155 4.341,1156 4.042,1157 6.999,1158 3.945,1159 3.874,1160 3.872,1161 3.883,1162 3.803,1163 5.189,1164 3.795,1165 3.621,1166 3.622,1167 3.675,1168 3.558,1169 4.969,1170 3.502,1171 3.303,1172 3.355,1173 3.451,1174 3.191,1175 4.737,1176 3.162,1177 3.292,1178 3.332,1179 3.144,1180 3.011,1181 4.58,1182 3.026,1183 3.232,1184 3.297,1185 3.144,1186 3.006,1187 4.578,1188 3.011,1189 3.192,1190 3.273,1191 2.978,1192 2.898,1193 4.456,1194 2.897,1195 0.137,1196 0.148,1197 0.203,1198 0.123,1199 0.095,1200 4.806,1201 0.135,1202 5.18,1203 0.084,1204 7.112,1205 0.343,1206 4.293,1207 0.092,1208 3.338,1209 4.732,1210 2.95,1211 11.991,1212 3.214,1213 2.012,1214 2.015,1215 2.042,1216 2.073,1217 1.253,1218 2.091,1219 1.948,1220 1.948,1221 1.976,1222 2.015,1223 1.18,1224 2.032,1225 1.742,1226 1.74,1227 1.778,1228 1.872,1229 0.97,1230 1.864,1231 1.576,1232 1.591,1233 1.59,1234 1.679,1235 0.833,1236 1.732,1237 1.304,1238 1.292,1239 1.59,1240 1.558,1241 0.592,1242 1.565,1243 1.227,1244 1.163,1245 1.57,1246 1.515,1247 0.584,1248 1.532,1249 1.182,1250 1.113,1251 1.531,1252 1.464,1253 0.57,1254 1.491,1255 1.144,1256 1.062,1257 1.341,1258 1.318,1259 0.543,1260 1.382,1261 4.263,1263 5.631,1264 2.398,1265 7.203,1266 4.727,1267 8.865,1268 6.88,1269 10.574,1271 5.889,1275 6.273,1279 16.413,1289 36.259,1290 93.005,1291 201.97,1292 238.46,1293 252.725,1294 255.48,1295 263.744,1296 65.743,1297 8.152,1298 100.74,1299 137.36,1300 23,1301 12.963,1302 4.644,1303 3.807,1304 51.773,1305 131,1306 128,1307 0.197,1308 228.378,1309 389.99,1310 549.003,1311 38672,1313 23.043,1314 0.72,1315 0.614,1316 23.647,1317 19.634,1318 15.278,1319 0.437,1320 0.352,1321 9.612,1322 13.383,1323 8.978,1324 7.504,1325 16.626,1326 12.318,1327 14.319,1328 0.275,1329 0.193,1330 16.23,1331 10.017,1332 12.134,1333 0.169,1334 0.102,1335 13.595,1336 7.335,1337 10.405,1338 0.107,1339 0.055,1340 11.89,1341 5.354,1342 8.338,1343 0.067,1344 0.029,1345 9.556,1346 3.622,1347 0.305,1348 110.24,1349 0.211,1350 29.462,1351 0.552,1352 174,1353 567.356,1354 244.681,1355 579.356,1356 784.83,1357 538,1358 211,1359 532.071,1360 286.899,1361 591.662,1362 860.58,1363 547,1364 4.638}
{0 CHEMBL396585,1 1.85,2 7.056,3 3.722,4 13.853,5 74.357,6 10.721,7 0.8,8 3.407,9 3.49,10 3.335,11 3.156,12 4.677,13 3.108,14 3.846,15 3.938,16 3.744,17 3.553,18 5.135,19 3.485,20 4.043,21 4.169,22 3.847,23 3.608,24 5.43,25 3.534,26 4.009,27 4.149,28 3.703,29 3.537,30 5.249,31 3.427,32 3.943,33 4.125,34 3.417,35 3.401,36 5.043,37 3.24,38 3.755,39 3.942,40 3.503,41 3.169,42 5.009,43 3.043,44 3.533,45 3.743,46 3.213,47 2.698,48 4.968,49 2.654,50 3.08,51 3.311,52 2.443,53 2.126,54 4.723,55 2.016,56 0.073,57 0.411,58 1.878,59 1.895,60 8.905,61 1.865,62 0.124,63 0.653,64 4.886,65 3.489,66 12.211,67 3.566,68 0.309,69 0.788,70 9.932,71 4.673,72 35.127,73 4.428,74 0.223,75 0.784,76 9.157,77 4.692,78 27.248,79 4.552,80 0.194,81 0.669,82 14.682,83 5.53,84 21.645,85 5.609,86 0.2,87 0.565,88 13.579,89 4.198,90 21.93,91 4.128,92 0.246,93 0.528,94 8.693,95 3.32,96 29.399,97 3.196,98 0.241,99 0.347,100 9.468,101 2.293,102 31.003,103 2.59,104 10,105 29,106 0.358,107 0.705,108 0.835,109 0.894,110 0.894,111 0.894,112 2.963,113 0.974,114 -5.02,115 -4.92,116 -4.61,118 50,138 4,139 3,140 2,141 1,143 1,147 1,148 1,158 1,159 1,160 1,167 5,171 2,172 1,173 1,175 1,178 10,180 1,182 1,186 1,188 8,190 1,192 2,197 3,199 6,201 3,204 2,208 2,211 4,213 2,215 1,220 1,223 2,225 1,228 1,233 1,235 1,237 1,264 336,265 12.069,266 12.069,267 12.069,268 12.069,269 12.069,270 10.101,271 5.347,272 6.914,273 12.498,274 9.833,275 9.833,276 9.833,277 9.833,278 9.833,279 6.958,280 3.421,281 3.241,282 10.616,283 2.85,284 1.058,285 0.385,286 0.077,287 0.077,288 0.077,289 3.636,290 1,293 1,294 1,295 274,296 1.871,299 32.457,300 89.996,303 62.303,307 0.957,308 19.675,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 38.833,320 127,321 4.671,322 3.336,323 6.887,324 4.203,325 3.236,326 4.629,328 11.501,329 3.133,330 4.198,331 3.192,332 6.016,333 3.718,334 2.794,335 3.868,337 8.521,338 2.571,339 3.683,340 2.457,341 5.686,342 3.268,343 2.326,344 3.088,346 7.34,347 2.138,348 3.42,349 2.125,350 5.034,351 2.88,352 1.991,353 2.807,355 5.677,356 1.758,357 2.996,358 2.059,359 4.438,360 2.477,361 1.51,362 2.234,364 4.071,365 1.451,366 2.82,367 1.544,368 4.039,369 2.318,370 1.414,371 1.948,373 3.512,374 1.217,375 2.553,376 1.093,377 3.811,378 2.002,379 1.065,380 1.578,382 2.683,383 0.987,384 2.186,385 0.82,386 3.314,387 1.58,388 0.744,389 1.053,391 1.807,392 0.605,393 1.371,394 0.623,395 2.655,396 0.931,397 0.101,398 0.122,400 0.223,401 0.074,402 1.043,403 -0.073,404 2.374,405 0.603,406 -0.32,407 -0.412,409 -0.735,410 -0.291,411 0.779,412 -0.214,413 2.365,414 0.281,415 -0.595,416 -0.773,417 -1.578,418 -0.449,419 0.573,420 -0.723,421 2,422 0.047,423 -0.875,424 -1.189,425 -2.318,426 -0.763,427 0.13,428 -1.068,429 2,430 -0.309,431 -1.215,432 -1.656,433 -3.245,434 -1.096,435 -0.042,436 -1.134,437 1.754,438 -0.451,439 -1.356,440 -1.789,441 -3.385,442 -1.13,443 -0.133,444 -1.211,445 1.281,446 -0.616,447 -1.414,448 -1.853,449 -4.027,450 -1.208,451 9.133,452 0.507,453 0.507,454 0.028,455 25.75,456 1.431,457 14.5,458 0.806,459 11.25,460 0.625,461 11.973,462 0.665,463 17.867,464 0.687,465 15.613,466 0.867,467 4.975,468 0.276,469 3.689,470 0.205,471 0.153,473 0.383,477 1,478 0.623,479 0.728,480 0.572,481 0.6,482 0.65,483 0.609,484 0.622,485 0.82,486 0.735,487 0.817,488 0.573,489 0.766,490 0.901,491 0.963,492 0.928,493 0.944,494 0.855,495 0.933,496 0.886,497 1.06,498 1.026,499 1.158,500 0.915,501 1.183,502 0.611,503 0.865,504 1.254,505 1.297,506 0.497,507 1.243,508 0.953,509 0.991,510 0.954,511 0.937,512 0.874,513 0.989,514 1.281,515 1.395,516 0.78,517 1.048,518 1.507,519 0.999,520 1.498,521 0.9,522 1.678,523 1.098,524 1.387,525 1.189,526 3.5,528 2.667,529 1.375,530 1.197,531 0.406,532 0.384,533 0.234,534 0.057,535 0.016,536 2585,537 10088,538 2.086,539 30.8,541 4,542 1,543 1,544 2,549 1.59,550 1.929,551 2.842,552 0.429,556 1,558 48.106,559 1.85,560 3.642,561 4.316,562 4.624,563 4.624,564 4.624,565 2.213,566 3.948,567 4.145,568 2.898,569 443.418,570 7.051,571 4040.33,572 1,573 1,575 1,576 122.211,577 1.481,578 4.09,579 0.175,581 0.092,582 0.047,583 0.05,584 0.023,585 0.024,586 0.021,587 0.011,588 0.016,589 0.459,590 0.67,591 1,592 0.662,593 74.457,594 -0.084,595 0.102,596 -0.003,597 0.135,598 -0.121,599 0.106,600 -0.003,601 0.031,602 -0.023,603 0.021,604 0.021,605 0.024,606 0.018,607 -0.002,608 -0.055,609 -0.05,610 0.056,611 -0.065,612 -0.109,613 -0.167,614 -0.132,615 -0.204,616 -0.137,617 -0.264,618 -0.038,619 -0.137,620 -0.178,621 -0.203,622 0.011,623 -0.147,624 -0.066,625 -0.142,626 0.171,627 0.08,628 -0.06,629 0.072,630 0.148,631 -0.247,632 0.299,633 -0.058,634 -0.029,635 0.089,636 0.345,637 0.292,638 -0.159,639 -0.019,640 0.449,641 0.039,642 2.092,643 5.167,644 0.833,645 9.852,646 1.025,647 1.11,648 3.787,649 14.339,650 0.788,651 3.045,652 3.401,653 3.714,654 3.989,655 4.19,656 4.234,657 4.304,658 4.394,659 4.29,660 4.143,661 4.237,662 0.752,663 278.75,664 3.045,665 4.595,666 5.468,667 6.365,668 7.256,669 8.158,670 9.056,671 9.96,672 10.861,673 11.766,674 7.7,678 1,684 1,689 2,690 6,691 1,694 1,695 5,697 16,708 1,715 2,716 26,718 16,719 1,720 20,722 28,723 13,724 13,725 3,726 3,728 3,729 4,730 1,740 13,757 1,758 1,760 8,761 3,762 2,763 5,764 2,769 2,775 0.667,787 1,793 1,794 2,797 1,819 2,821 1,824 1,825 1,827 18,828 1,845 1,849 2,858 9.333,859 4.736,860 3.889,861 1.403,863 3.194,864 1.486,865 1.059,866 2.861,867 9.767,868 3.367,869 4.073,870 4.755,871 5.408,872 5.955,873 6.308,874 6.733,875 7.188,876 7.389,877 7.635,878 0.8,879 29,880 6.613,881 2.895,882 7.978,883 12.327,884 10.279,885 2.478,886 44.611,887 0.001,890 70.627,891 110.519,892 49.683,893 39.149,895 14.96,896 31.278,897 79.241,898 109.775,899 64.643,902 78.451,903 28.557,904 30.613,905 29.805,906 78.362,907 39.149,908 70.627,909 128.924,910 14.96,911 70.426,913 85.587,917 9.047,918 103.091,919 55.934,920 31.278,921 85.587,922 49.683,923 149.667,926 70.627,927 55.917,928 54.601,930 103.791,931 70.627,932 64.643,933 149.667,935 0.595,936 0.361,937 0.191,938 0.103,939 16,940 7,941 0.036,942 1,943 1,944 1.133,945 2.982,946 135.691,947 0.133,948 15,949 75.059,950 1,954 11.724,955 4.393,956 1.961,957 1.947,958 64.643,959 10.209,960 4.083,963 1.576,964 1.93,966 32.897,967 284.937,968 28,980 26.651,981 28.861,983 0.394,984 0.775,985 0.918,986 0.984,987 0.984,988 0.984,989 4.595,990 0.744,991 5.476,992 2.683,993 4.078,994 4.758,996 6.333,997 3.936,998 5.849,999 0.101,1000 7.069,1001 1.807,1002 3.761,1003 4.691,1005 7.338,1006 3.546,1007 7.188,1008 -0.32,1009 8.763,1010 0.223,1011 5.714,1012 7.101,1014 10.468,1015 5.485,1016 8.567,1017 -0.595,1018 10.516,1019 -0.735,1020 6.217,1021 7.879,1023 12.323,1024 5.926,1025 9.979,1026 -0.875,1027 12.308,1028 -1.578,1029 7.663,1030 9.755,1032 14.985,1033 7.365,1034 11.415,1035 -1.215,1036 14.126,1037 -2.318,1038 8.531,1039 10.93,1041 17.186,1042 8.186,1043 12.87,1044 -1.356,1045 15.963,1046 -3.245,1047 9.789,1048 12.592,1050 19.696,1051 9.431,1052 3.236,1053 -1.414,1054 17.816,1055 -3.385,1056 10.819,1057 13.954,1059 22.039,1060 10.425,1061 2.794,1062 11.501,1063 19.681,1064 -4.027,1065 12.008,1066 15.529,1068 24.5,1069 11.596,1070 2.326,1071 8.521,1072 21.556,1073 4.629,1074 13.11,1075 16.978,1077 26.901,1078 12.667,1079 1.991,1080 7.34,1081 23.44,1082 3.868,1083 14.277,1084 18.519,1086 29.346,1087 13.812,1088 1.51,1089 5.677,1090 25.33,1091 3.088,1092 15.411,1093 20.009,1095 31.771,1096 14.919,1097 1.414,1098 4.071,1099 27.225,1100 2.807,1101 16.573,1102 21.539,1104 34.213,1105 16.056,1106 1.065,1107 3.512,1108 29.126,1109 2.234,1110 17.723,1111 23.048,1113 36.647,1114 17.179,1115 2559,1116 5142,1117 13.235,1118 20.5,1119 30.653,1120 31.372,1121 32.05,1122 30.377,1123 30.362,1124 42.655,1126 90.671,1127 27.866,1128 5.332,1129 5.336,1130 6.431,1131 5.295,1132 5.236,1133 7.629,1135 18.709,1136 5.133,1137 8.515,1138 1.533,1139 1.569,1140 1.602,1141 1.519,1142 1.518,1143 2.133,1145 4.534,1146 1.393,1147 4.102,1148 4.112,1149 4.333,1150 4.111,1151 8.201,1152 4.068,1153 3.835,1154 3.856,1155 3.989,1156 3.782,1157 5.189,1158 3.769,1159 3.302,1160 3.344,1161 3.453,1162 3.205,1163 4.864,1164 3.182,1165 3.072,1166 3.163,1167 3.321,1168 2.92,1169 4.651,1170 2.888,1171 2.879,1172 2.922,1173 3.012,1174 2.795,1175 4.361,1176 2.768,1177 2.801,1178 2.84,1179 2.779,1180 2.66,1181 4.134,1182 2.655,1183 2.352,1184 2.457,1185 2.329,1186 2.163,1187 3.555,1188 2.157,1189 2.275,1190 2.362,1191 2.278,1192 2.021,1193 3.386,1194 1.983,1195 0.234,1196 0.167,1197 0.344,1198 0.21,1199 0.162,1200 4.671,1201 0.231,1202 3.336,1204 6.887,1205 0.575,1206 4.203,1207 0.157,1208 3.236,1209 4.629,1211 11.501,1212 3.133,1213 1.945,1214 1.929,1215 1.999,1216 2.02,1217 1.157,1218 2.018,1219 1.798,1220 1.78,1221 1.847,1222 1.893,1223 0.972,1224 1.896,1225 1.366,1226 1.364,1227 1.394,1228 1.415,1229 0.603,1230 1.459,1231 0.911,1232 0.831,1233 1.21,1234 1.255,1235 0.167,1236 1.255,1237 0.868,1238 0.824,1239 1.084,1240 1.013,1241 0.134,1242 1.058,1243 0.85,1244 0.812,1245 0.875,1246 0.935,1248 0.989,1249 0.59,1250 0.538,1251 0.777,1252 0.806,1254 0.799,1255 0.171,1256 0.026,1257 0.583,1258 0.529,1260 0.555,1261 3.714,1263 5.056,1264 2.398,1265 6.603,1266 4.727,1267 8.242,1268 6.862,1269 9.928,1272 5.803,1273 13.167,1275 5.895,1289 19.548,1290 48.106,1291 94.702,1292 112.211,1293 120.211,1294 120.211,1295 120.211,1296 26.506,1297 6.574,1298 38.91,1299 67.15,1300 17,1301 12.285,1302 4.087,1303 3.17,1304 25.617,1305 45,1306 44,1307 0.291,1308 127.05,1309 206.99,1310 301.761,1311 5182,1312 7.7,1313 12.698,1314 0.705,1315 0.596,1316 12.682,1317 10.725,1318 8.665,1319 0.433,1320 0.325,1321 5.293,1322 7.694,1323 5.074,1324 4.164,1325 8.997,1326 6.495,1327 8.015,1328 0.276,1329 0.178,1330 8.478,1331 5.166,1332 7.045,1333 0.176,1334 0.1,1335 7.319,1336 3.983,1337 5.787,1338 0.109,1339 0.057,1340 6.794,1341 3.037,1342 4.599,1343 0.071,1344 0.031,1345 5.349,1346 1.999,1347 0.432,1348 61.314,1349 0.275,1350 17.577,1351 0.874,1352 98,1353 338.132,1354 142.436,1355 359.972,1356 475.91,1357 334,1358 118,1359 308.906,1360 157.046,1361 334.804,1362 492.75,1363 315,1364 5.87}
{0 CHEMBL396912,1 1.621,2 11.3,3 4.305,4 18.532,5 120.325,6 8.126,7 0.667,8 4.065,9 4.154,10 3.747,11 3.635,12 5.238,13 3.612,14 4.558,15 4.695,16 4.088,17 4.003,18 5.641,19 3.971,20 4.637,21 4.739,22 4.257,23 4.167,24 5.784,25 4.124,26 4.824,27 4.951,28 4.341,29 4.283,30 5.938,31 4.205,32 4.988,33 5.174,34 4.195,35 4.296,36 5.973,37 4.177,38 4.886,39 5.074,40 4.146,41 4.166,42 5.915,43 4.066,44 4.832,45 5.055,46 4.076,47 4.053,48 5.82,49 3.958,50 4.749,51 4.969,52 3.885,53 3.992,54 5.753,55 3.857,56 0.058,57 0.696,58 9.966,59 5.066,60 10.71,61 5.679,62 0.386,63 1.086,64 21.455,65 8.557,66 28.638,67 9.189,68 0.37,69 1.224,70 19.377,71 9.169,72 20.215,73 10.311,74 0.305,75 1.508,76 26.331,77 11.425,78 25.319,79 13.179,80 0.514,81 1.711,82 38.985,83 14.402,84 42.371,85 16.193,86 0.491,87 1.543,88 32.576,89 12.134,90 40.188,91 14.371,92 0.385,93 1.449,94 31.04,95 11.351,96 36.274,97 14.296,98 0.477,99 1.361,100 32.494,101 11.462,102 41.448,103 13.86,104 42,105 47,106 0.268,107 0.572,108 0.668,109 0.724,110 0.743,111 0.8,112 3.441,113 0.918,114 -3.83,115 -3.79,116 -3.6,118 44.2,123 4,138 6,139 5,140 4,141 1,143 1,147 1,148 1,158 1,159 1,160 1,167 9,171 6,172 1,173 1,175 1,178 14,180 1,181 2,182 8,186 1,188 10,190 1,191 1,192 10,197 3,199 10,201 3,204 4,208 3,211 7,213 3,214 2,215 7,220 4,223 6,225 4,227 1,228 5,235 6,239 1,240 4,242 3,243 3,247 4,252 6,254 1,255 1,264 1412,265 20.773,266 20.773,267 20.773,268 20.773,269 20.773,270 18.257,271 17.627,272 11.85,273 21.703,274 15.995,275 15.995,276 15.995,277 15.995,278 15.995,279 11.929,280 18.48,281 5.201,282 17.108,283 4.08,284 2.241,285 1.664,286 1.327,287 1.212,288 0.866,289 4.136,293 1,294 1,295 723,296 3.082,299 62.099,300 254.695,303 117.911,307 1.853,308 23.322,311 1,312 1,313 1,314 0.6,315 0.5,316 1,317 1,318 0.87,319 65,320 339,321 4.751,322 3.399,323 7.015,324 4.289,325 3.322,326 4.727,327 0.86,328 11.988,329 3.213,330 4.432,331 3.291,332 6.557,333 4.021,334 3.066,335 4.127,336 0.86,337 10.385,338 2.938,339 4.112,340 2.874,341 6.282,342 3.715,343 2.741,344 3.716,345 0.86,346 9.375,347 2.65,348 3.855,349 2.692,350 5.739,351 3.451,352 2.489,353 3.332,354 0.86,355 7.627,356 2.39,357 3.567,358 2.555,359 5.28,360 3.173,361 2.225,362 2.929,364 6.649,365 2.101,366 3.355,367 2.373,368 5.19,369 2.972,370 2.061,371 2.67,373 6.118,374 1.867,375 3.332,376 2.045,377 5.073,378 2.803,379 1.907,380 2.604,382 5.619,383 1.693,384 2.978,385 1.914,386 4.543,387 2.488,388 1.527,389 2.192,391 4.383,392 1.462,393 2.567,394 1.537,395 4.113,396 2.049,397 1.139,398 1.598,400 3.044,401 1.029,402 2.5,403 1.202,404 3.756,405 2,406 1.066,407 1.5,409 2.355,410 1,411 2.285,412 1,413 3.551,414 1.926,415 1,416 1.225,417 2.275,418 0.904,419 2.132,420 0.988,421 3.414,422 1.628,423 0.8,424 1.069,425 1.948,426 0.646,427 1.643,428 0.966,429 2.859,430 1.338,431 0.469,432 0.535,433 0.732,434 0.403,435 1.576,436 0.916,437 2.829,438 1.27,439 0.396,440 0.452,441 0.603,442 0.342,443 1.429,444 0.78,445 2.819,446 1.167,447 0.325,448 0.348,449 0.425,450 0.271,451 14.467,452 0.482,453 0.654,454 0.022,455 41.75,456 1.392,457 22.5,458 0.75,459 19.25,460 0.642,461 24.582,462 0.819,463 31.733,464 0.61,465 33.149,466 1.105,467 8.541,468 0.285,469 6.063,470 0.202,471 0.166,473 0.38,478 0.923,479 1.102,480 0.73,481 0.97,482 1.018,483 0.883,484 1.453,485 0.633,486 0.857,487 0.619,488 1.103,489 0.58,490 0.863,491 1.014,492 0.814,493 0.898,494 0.792,495 0.89,496 0.817,497 1.312,498 1.028,499 1.217,500 0.877,501 1.143,502 1.158,503 1.06,504 1.34,505 1.141,506 1.08,507 1.064,508 0.93,509 1.137,510 1.052,511 1.126,512 1.01,513 1.094,514 0.747,515 1.019,516 0.745,517 0.951,518 0.945,519 0.91,520 0.662,521 0.989,522 1.25,523 1.177,524 0.689,525 1.041,526 5.5,527 0.111,528 4,529 2.278,530 2.281,531 1.452,532 0.773,533 0.613,534 0.494,535 0.268,536 10682,537 30874,538 2.067,539 42.3,541 18,542 1,543 1,544 2,549 1.732,550 1.915,551 3.437,552 0.21,554 1,558 84.273,559 1.621,560 3.459,561 4.036,562 4.373,563 4.489,564 4.835,565 2.961,566 4.282,567 4.874,568 3.575,569 1555.29,570 8.527,571 20729.2,573 1,576 296.423,577 1.475,578 4.828,579 0.167,580 0.006,581 0.085,582 0.042,583 0.042,584 0.031,585 0.018,586 0.015,587 0.015,588 0.01,589 0.431,590 0.33,591 1,592 0.982,593 151.967,594 -0.057,595 -0.039,596 0.066,597 -0.012,598 -0.137,599 0.019,600 -0.212,601 0.38,602 0.108,603 0.38,604 -0.092,605 0.347,606 0.094,607 0.034,608 0.043,609 0.082,610 0.062,611 0.023,612 0.025,613 -0.263,614 -0.042,615 -0.169,616 -0.019,617 -0.193,618 -0.181,619 -0.043,620 -0.186,621 -0.041,622 -0.146,623 -0.071,624 0.002,625 -0.122,626 -0.044,627 -0.125,628 -0.03,629 -0.122,630 0.087,631 -0.03,632 0.215,633 0.003,634 0.044,635 0.088,636 0.146,637 0.041,638 -0.068,639 -0.079,640 0.222,641 -0.018,642 1.173,643 2.301,644 0.7,645 29.142,646 1.008,647 1.114,648 2.598,649 6.751,650 0.694,651 3.526,652 3.871,653 4.234,654 4.543,655 4.796,656 4.949,657 5.124,658 5.298,659 5.425,660 5.505,661 6.43,662 0.661,663 422.54,664 3.526,665 5.081,666 5.969,667 6.874,668 7.78,669 8.694,670 9.607,671 10.525,672 11.442,673 12.363,674 3.8,678 1,684 1,689 2,690 8,691 1,694 1,695 9,697 22,708 1,714 4,716 52,718 22,719 2,720 33,722 55,723 23,724 19,725 6,726 6,728 4,729 5,740 19,741 4,757 1,760 22,761 6,762 2,763 7,764 1,769 2,775 0.75,776 4,787 1,793 1,794 3,797 1,819 3,821 1,823 4,827 30,828 1,835 4,845 1,850 7.7,855 4,858 15.667,859 10.783,860 6.889,861 2.686,863 4.347,864 1.544,865 0.991,866 6.017,867 12.334,868 3.807,869 4.48,870 5.188,871 5.857,872 6.455,873 6.899,874 7.414,875 7.929,876 8.357,877 8.777,878 0.875,879 54,880 11.002,881 4.571,882 7.672,883 20.96,884 16.782,885 2.172,886 65.167,889 1,890 235.422,891 187.727,892 49.683,894 44,896 31.278,897 156.449,898 279.422,899 49.683,900 43.532,902 97.404,903 28.557,904 89.336,905 14.845,906 243.158,908 235.422,909 206.132,910 44,911 31.278,913 235.422,914 44,917 9.047,918 180.299,919 16.786,920 31.278,921 235.422,922 93.682,923 187.727,926 235.422,927 70.64,928 117.086,930 93.682,931 235.422,932 93.682,933 187.727,935 0.575,936 0.371,937 0.211,938 0.114,939 23,940 11,941 0.109,942 6,943 1,944 1.095,945 3.944,946 281.907,947 0.095,948 21,949 135.207,950 1,954 20.754,955 8.698,956 3.711,957 1.971,958 93.682,959 15.634,960 4.476,963 1.627,964 6.972,966 32.897,967 516.831,968 44,980 52.425,981 57.906,983 0.284,984 0.607,985 0.708,986 0.767,987 0.787,988 0.848,989 5.047,990 1.527,991 5.969,992 5.619,993 4.554,994 5.168,995 1.934,996 6.849,997 4.44,998 6.285,999 1.139,1000 7.572,1001 4.383,1002 4.205,1003 5.094,1005 7.904,1006 4.082,1007 7.624,1008 1.066,1009 9.276,1010 3.044,1011 6.213,1012 7.494,1013 1.682,1014 11.037,1015 6.031,1016 9.006,1017 1,1018 11.039,1019 2.355,1020 6.711,1021 8.272,1023 12.916,1024 6.506,1025 10.421,1026 0.8,1027 12.839,1028 2.275,1029 8.173,1030 10.134,1031 1.444,1032 15.585,1033 7.934,1034 11.86,1035 0.469,1036 14.666,1037 1.948,1038 9.044,1039 11.305,1041 17.797,1042 8.773,1043 13.317,1044 0.396,1045 16.511,1046 0.732,1047 10.311,1048 12.96,1049 1.222,1050 20.319,1051 10.011,1052 3.322,1053 0.325,1054 18.371,1055 0.603,1056 11.349,1057 14.321,1059 22.672,1060 11.013,1061 3.066,1062 11.988,1063 20.243,1064 0.425,1065 12.547,1066 15.895,1067 1.019,1068 25.147,1069 12.182,1070 2.741,1071 10.385,1072 22.124,1073 4.727,1074 13.66,1075 17.348,1077 27.562,1078 13.26,1079 2.489,1080 9.375,1081 24.013,1082 4.127,1083 14.837,1084 18.894,1085 0.837,1086 30.026,1087 14.406,1088 2.225,1089 7.627,1090 25.908,1091 3.716,1092 15.985,1093 20.391,1095 32.469,1096 15.519,1097 2.061,1098 6.649,1099 27.809,1100 3.332,1101 17.159,1102 21.929,1103 0.677,1104 34.933,1105 16.661,1106 1.907,1107 6.118,1108 29.714,1109 2.929,1110 18.324,1111 23.448,1113 37.391,1114 17.792,1115 10412,1116 17822,1117 21.789,1118 36.091,1119 49.027,1120 50.445,1121 52.683,1122 48.852,1123 49.07,1124 66.05,1125 6.88,1126 147.055,1127 45.82,1128 5.431,1129 5.399,1130 6.566,1131 5.398,1132 5.322,1133 7.727,1134 1.72,1135 19.563,1136 5.213,1137 16.274,1138 1.486,1139 1.529,1140 1.596,1141 1.48,1142 1.487,1143 2.002,1144 0.208,1145 4.456,1146 1.388,1147 4.136,1148 4.143,1149 4.345,1150 4.139,1151 5.19,1152 4.102,1153 3.91,1154 3.92,1155 3.885,1156 3.836,1157 4.97,1158 3.841,1159 3.804,1160 3.82,1161 3.805,1162 3.732,1163 4.868,1164 3.723,1165 3.346,1166 3.384,1167 3.452,1168 3.218,1169 4.635,1170 3.209,1171 3.303,1172 3.355,1173 3.176,1174 3.013,1175 4.58,1176 3.026,1177 3.247,1178 3.315,1179 3.144,1180 3.006,1181 4.461,1182 3.012,1183 3.195,1184 3.274,1185 3.065,1186 2.957,1187 4.393,1188 2.947,1189 3.185,1190 3.254,1191 2.973,1192 2.897,1193 4.173,1194 2.896,1195 0.144,1196 0.103,1197 0.213,1198 0.13,1199 0.101,1200 4.751,1201 0.143,1202 3.399,1203 0.026,1204 7.015,1205 0.363,1206 4.289,1207 0.097,1208 3.322,1209 4.727,1210 0.86,1211 11.988,1212 3.213,1213 1.989,1214 1.977,1215 2.042,1216 2.066,1217 1.216,1218 2.059,1219 1.898,1220 1.884,1221 1.976,1222 1.984,1223 1.109,1224 1.985,1225 1.711,1226 1.698,1227 1.777,1228 1.854,1229 0.901,1230 1.836,1231 1.381,1232 1.378,1233 1.59,1234 1.558,1235 0.639,1236 1.565,1237 1.227,1238 1.163,1239 1.578,1240 1.541,1241 0.584,1242 1.559,1243 1.188,1244 1.117,1245 1.57,1246 1.511,1247 0.572,1248 1.53,1249 1.162,1250 1.084,1251 1.53,1252 1.458,1253 0.559,1254 1.484,1255 1.139,1256 1.061,1257 1.341,1258 1.316,1259 0.539,1260 1.38,1261 4.205,1263 5.541,1264 2.398,1265 7.096,1266 4.727,1267 8.75,1268 6.88,1269 10.456,1271 6.444,1275 6.301,1279 21.741,1289 34.357,1290 84.273,1291 179.894,1292 209.894,1293 227.403,1294 233.403,1295 251.403,1296 44.292,1297 7.987,1298 75.83,1299 104.07,1300 23,1301 12.872,1302 4.524,1303 3.585,1304 46.879,1305 115,1306 140,1307 0.204,1308 213.251,1309 362.69,1310 512.093,1311 31396,1313 21.25,1314 0.708,1315 0.6,1316 21.604,1317 18.001,1318 14.604,1319 0.443,1320 0.306,1321 9.098,1322 13.439,1323 8.659,1324 7.262,1325 15.059,1326 10.093,1327 12.53,1328 0.267,1329 0.158,1330 13.055,1331 7.433,1332 11.606,1333 0.171,1334 0.088,1335 12.31,1336 6.015,1337 10.016,1338 0.108,1339 0.05,1340 10.985,1341 4.612,1342 8.162,1343 0.068,1344 0.026,1345 9.023,1346 3.173,1347 0.314,1348 97.372,1349 0.214,1350 27.847,1351 0.579,1352 160,1353 500.76,1354 196.6,1355 492.544,1356 680.67,1357 466,1358 195,1359 484.892,1360 231.725,1361 512.416,1362 750.78,1363 475,1364 5.149}
{0 CHEMBL396913,1 1.55,2 11.438,3 5.23,4 27.35,5 130.312,6 8.196,7 0.75,8 4.105,9 4.193,10 3.8,11 3.737,12 5.262,13 3.704,14 4.595,15 4.723,16 4.161,17 4.13,18 5.671,19 4.084,20 4.732,21 4.847,22 4.321,23 4.294,24 5.842,25 4.234,26 4.89,27 5.028,28 4.39,29 4.37,30 5.979,31 4.283,32 5.014,33 5.194,34 4.25,35 4.359,36 5.999,37 4.243,38 4.913,39 5.09,40 4.237,41 4.267,42 5.943,43 4.165,44 4.904,45 5.125,46 4.185,47 4.214,48 5.881,49 4.097,50 4.828,51 5.045,52 3.982,53 4.123,54 5.821,55 3.986,56 0.026,57 0.695,58 9.863,59 5.042,60 10.681,61 5.791,62 0.258,63 1.126,64 20.5,65 8.829,66 23.481,67 9.712,68 0.295,69 1.303,70 20.625,71 9.895,72 19.654,73 11.64,74 0.219,75 1.572,76 27.521,77 12.075,78 25.647,79 14.218,80 0.419,81 1.766,82 38.985,83 14.827,84 41.485,85 16.281,86 0.412,87 1.6,88 31.525,89 12.461,90 38.314,91 14.474,92 0.266,93 1.616,94 33.21,95 13.042,96 34.68,97 16.224,98 0.353,99 1.554,100 35.807,101 12.763,102 39.248,103 14.921,104 26,105 52,106 0.252,107 0.561,108 0.684,109 0.772,110 0.794,111 0.831,112 3.503,113 0.915,114 -5.08,115 -4.98,116 -4.66,118 48.1,123 3,138 9,139 7,140 3,141 1,143 1,147 1,148 1,158 1,159 1,160 1,167 16,171 4,172 1,173 1,175 1,178 24,180 1,181 2,182 6,186 1,188 20,190 1,191 1,192 9,197 3,199 18,201 3,204 3,208 3,211 13,213 3,214 2,215 6,220 4,223 11,225 4,227 1,228 6,233 2,235 11,237 2,240 5,242 2,243 2,245 2,247 9,249 2,252 6,254 1,255 1,257 1,260 7,262 1,264 1656,265 22.265,266 22.265,267 22.265,268 22.265,269 22.265,270 19.205,271 13.314,272 12.762,273 23.016,274 17.572,275 17.572,276 17.572,277 17.572,278 17.572,279 12.746,280 13.829,281 5.733,282 18.494,283 4.205,284 2.299,285 1.543,286 1.001,287 0.862,288 0.635,289 4.212,294 1,295 804,296 3,299 62.008,300 323.655,303 118.516,304 128.188,307 1.875,308 21.854,311 1,312 1,313 1,314 0.6,315 0.5,316 1,317 1,318 0.87,319 68,320 366,321 4.755,322 3.4,323 7.016,324 4.294,325 3.326,326 4.733,327 0.86,328 11.995,329 3.221,330 4.451,331 3.294,332 6.559,333 4.034,334 3.073,335 4.333,336 0.86,337 10.393,338 2.974,339 4.377,340 2.929,341 6.315,342 3.895,343 2.91,344 4.117,345 0.86,346 9.55,347 2.847,348 3.986,349 2.674,350 6.141,351 3.608,352 2.626,353 3.494,355 8.984,356 2.562,357 3.649,358 2.555,359 5.675,360 3.247,361 2.276,362 3.063,364 7.363,365 2.21,366 3.355,367 2.339,368 5.19,369 2.972,370 2.061,371 2.716,373 6.118,374 1.867,375 3.351,376 2.043,377 5.073,378 2.811,379 1.913,380 2.604,382 5.619,383 1.703,384 3.118,385 1.901,386 4.579,387 2.618,388 1.618,389 2.427,391 4.544,392 1.618,393 3.034,394 1.618,395 4.407,396 2.537,397 1.561,398 2.285,400 4.259,401 1.521,402 2.868,403 1.538,404 4.114,405 2.373,406 1.388,407 2.045,409 3.186,410 1.364,411 2.56,412 1.378,413 3.757,414 2.03,415 1.121,416 1.59,417 2.831,418 1.015,419 2.297,420 1.072,421 3.606,422 1.926,423 1.055,424 1.232,425 2.355,426 0.904,427 2.159,428 0.987,429 3.55,430 1.684,431 0.799,432 1.092,433 1.951,434 0.687,435 2.099,436 0.916,437 3.164,438 1.571,439 0.626,440 0.926,441 1.507,442 0.589,443 1.576,444 0.819,445 2.859,446 1.27,447 0.396,448 0.452,449 0.603,450 0.342,451 15.633,452 0.489,453 0.705,454 0.022,455 46.25,456 1.445,457 26,458 0.813,459 20.25,460 0.633,461 25.962,462 0.811,463 32.367,464 0.599,465 36.486,466 1.14,467 9.263,468 0.289,469 6.376,470 0.199,471 0.122,473 0.384,478 0.902,479 0.982,480 0.718,481 0.875,482 1.027,483 0.817,484 1.365,485 0.671,486 0.852,487 0.671,488 1.029,489 0.646,490 0.722,491 0.981,492 0.797,493 0.891,494 0.728,495 0.899,496 0.79,497 1.262,498 1.006,499 1.184,500 0.847,501 1.111,502 1.398,503 1.029,504 1.372,505 1.115,506 1.187,507 1.036,508 1.057,509 1.09,510 1.048,511 1.073,512 1.129,513 1.069,514 0.693,515 1.023,516 0.845,517 0.962,518 0.87,519 0.904,520 0.813,521 1.071,522 1.421,523 1.233,524 0.882,525 1.038,526 5.5,527 0.111,528 4.222,529 2.34,530 2.494,531 1.393,532 0.829,533 0.629,534 0.512,535 0.26,536 13527,537 35775,538 2.135,539 40.7,541 18,542 1,543 1,544 2,549 1.748,550 2,551 3.479,552 0.146,558 83.69,559 1.55,560 3.456,561 4.212,562 4.754,563 4.893,564 5.12,565 2.951,566 4.601,567 4.971,568 3.623,569 1796.97,570 8.715,571 25062.9,576 310.764,577 1.406,578 4.933,579 0.153,580 0.005,581 0.081,582 0.04,583 0.043,584 0.027,585 0.017,586 0.014,587 0.013,588 0.009,589 0.401,590 0.17,591 0.88,592 0.851,593 165.479,594 -0.044,595 0.022,596 0.064,597 0.031,598 -0.146,599 0.044,600 -0.164,601 0.318,602 0.077,603 0.298,604 -0.081,605 0.259,606 0.181,607 0.008,608 0.048,609 0.044,610 0.092,611 -0.002,612 0.089,613 -0.26,614 -0.014,615 -0.176,616 0.037,617 -0.177,618 -0.22,619 -0.017,620 -0.196,621 -0.027,622 -0.161,623 -0.059,624 0.004,625 -0.078,626 -0.036,627 -0.082,628 -0.082,629 -0.116,630 0.113,631 -0.015,632 0.206,633 0.054,634 0.112,635 0.112,636 0.04,637 0.001,638 -0.145,639 -0.099,640 0.131,641 -0.016,642 1.152,643 2.382,644 0.781,645 31.422,646 1.002,647 1.105,648 3.85,649 14.82,650 0.715,651 3.611,652 3.97,653 4.344,654 4.673,655 4.942,656 5.088,657 5.288,658 5.493,659 5.652,660 5.753,661 6.671,662 0.679,663 442.57,664 3.611,665 5.176,666 6.071,667 6.982,668 7.892,669 8.81,670 9.726,671 10.646,672 11.565,673 12.488,674 3.7,678 1,684 1,689 4,690 11,691 1,694 1,695 8,697 27,708 1,714 3,716 54,718 27,719 3,720 36,722 58,723 26,724 23,725 7,726 9,728 5,729 7,740 23,741 3,760 22,761 5,762 2,763 6,764 1,769 2,775 0.6,776 3,787 1,793 1,794 4,797 1,798 1,819 3,821 1,823 3,827 32,828 1,835 3,845 1,850 5.6,855 3,858 16,859 10.867,860 7.167,861 2.929,863 5.58,864 1.653,865 1.032,866 5.555,867 14.13,868 3.922,869 4.627,870 5.357,871 6.047,872 6.671,873 7.125,874 7.67,875 8.224,876 8.713,877 9.142,878 0.875,879 59,880 11.758,881 4.997,882 7.604,883 22.614,884 18.686,885 2.104,886 67.333,890 235.422,891 205.175,892 49.683,894 33,896 31.278,897 173.897,898 268.422,899 49.683,900 32.649,902 125.832,903 28.557,904 78.239,905 14.845,906 243.158,908 235.422,909 223.58,910 33,911 31.278,913 235.422,914 33,917 9.047,918 197.747,919 16.786,920 31.278,921 235.422,922 82.682,923 205.175,926 235.422,927 70.543,928 134.632,930 82.682,931 235.422,932 82.682,933 205.175,935 0.58,936 0.372,937 0.216,938 0.117,939 27,940 12,941 0.086,942 5,943 2,944 1.16,945 4.157,946 317.466,947 0.16,948 25,949 152,950 1,954 20.89,955 8.509,956 3.561,957 4.42,958 82.682,959 22.627,960 4.53,963 1.654,964 6.341,966 32.897,967 523.279,968 49.5,980 54.098,981 59.697,983 0.269,984 0.601,985 0.732,986 0.826,987 0.85,988 0.89,989 5.163,990 1.618,991 6.071,992 5.619,993 4.654,994 5.316,995 1.693,996 6.956,997 4.567,998 6.41,999 1.561,1000 7.674,1001 4.544,1002 4.29,1003 5.247,1005 7.999,1006 4.197,1007 7.753,1008 1.388,1009 9.378,1010 4.259,1011 6.315,1012 7.676,1013 1.454,1014 11.144,1015 6.176,1016 9.139,1017 1.121,1018 11.141,1019 3.186,1020 6.804,1021 8.463,1023 13.011,1024 6.643,1025 10.558,1026 1.055,1027 12.943,1028 2.831,1029 8.28,1030 10.343,1031 1.232,1032 15.678,1033 8.092,1034 12,1035 0.799,1036 14.769,1037 2.355,1038 9.146,1039 11.522,1041 17.878,1042 8.927,1043 13.461,1044 0.626,1045 16.614,1046 1.951,1047 10.419,1048 13.186,1049 1.028,1050 20.393,1051 10.177,1052 3.326,1053 0.396,1054 18.473,1055 1.507,1056 11.454,1057 14.55,1059 22.734,1060 11.177,1061 3.073,1062 11.995,1063 20.342,1064 0.603,1065 12.653,1066 16.126,1067 0.845,1068 25.202,1069 12.35,1070 2.91,1071 10.393,1072 22.22,1073 4.733,1074 13.762,1075 17.576,1077 27.608,1078 13.424,1079 2.626,1080 9.55,1081 24.105,1082 4.333,1083 14.937,1084 19.119,1085 0.684,1086 30.066,1087 14.571,1088 2.276,1089 8.984,1090 25.997,1091 4.117,1092 16.08,1093 20.61,1095 32.503,1096 15.68,1097 2.061,1098 7.363,1099 27.893,1100 3.494,1101 17.251,1102 22.141,1103 0.546,1104 34.963,1105 16.82,1106 1.913,1107 6.118,1108 29.794,1109 3.063,1110 18.411,1111 23.653,1113 37.417,1114 17.946,1115 12715,1116 20816,1117 24.274,1118 38.637,1119 54.129,1120 55.345,1121 57.404,1122 53.941,1123 54.146,1124 74.917,1125 5.16,1126 163.367,1127 51.391,1128 5.433,1129 5.4,1130 6.704,1131 5.403,1132 5.326,1133 7.733,1134 1.72,1135 19.578,1136 5.221,1137 15.023,1138 1.504,1139 1.537,1140 1.595,1141 1.498,1142 1.504,1143 2.081,1144 0.143,1145 4.538,1146 1.428,1147 4.164,1148 4.175,1149 4.348,1150 4.161,1151 5.19,1152 4.132,1153 4.016,1154 4.032,1155 4.006,1156 3.987,1157 4.971,1158 3.973,1159 3.865,1160 3.869,1161 3.88,1162 3.793,1163 4.898,1164 3.791,1165 3.481,1166 3.52,1167 3.455,1168 3.396,1169 4.636,1170 3.393,1171 3.303,1172 3.355,1173 3.376,1174 3.174,1175 4.58,1176 3.144,1177 3.271,1178 3.323,1179 3.144,1180 3.012,1181 4.46,1182 3.026,1183 3.225,1184 3.282,1185 3.134,1186 3.006,1187 4.368,1188 3.011,1189 3.192,1190 3.272,1191 2.979,1192 2.954,1193 4.153,1194 2.934,1195 0.132,1196 0.094,1197 0.195,1198 0.119,1199 0.092,1200 4.755,1201 0.131,1202 3.4,1203 0.024,1204 7.016,1205 0.333,1206 4.294,1207 0.089,1208 3.326,1209 4.733,1210 0.86,1211 11.995,1212 3.221,1213 2.085,1214 2.068,1215 2.163,1216 2.134,1217 1.307,1218 2.144,1219 1.965,1220 1.955,1221 2.007,1222 2.046,1223 1.189,1224 2.039,1225 1.747,1226 1.734,1227 1.815,1228 1.88,1229 0.956,1230 1.86,1231 1.545,1232 1.531,1233 1.651,1234 1.621,1235 0.775,1236 1.648,1237 1.274,1238 1.248,1239 1.59,1240 1.558,1241 0.584,1242 1.565,1243 1.227,1244 1.163,1245 1.57,1246 1.513,1247 0.572,1248 1.531,1249 1.181,1250 1.113,1251 1.526,1252 1.457,1253 0.559,1254 1.482,1255 1.144,1256 1.062,1257 1.341,1258 1.305,1259 0.514,1260 1.363,1261 4.29,1263 5.638,1264 2.398,1265 7.204,1266 4.727,1267 8.87,1268 6.88,1269 10.586,1271 4.819,1275 6.382,1279 16.561,1289 36.642,1290 83.69,1291 186.632,1292 227.441,1293 256.725,1294 264.235,1295 276.499,1296 43.453,1297 8.55,1298 66.6,1299 94.84,1300 29,1301 12.995,1302 4.807,1303 3.858,1304 45.576,1305 128,1306 130,1307 0.176,1308 224.784,1309 377.26,1310 540.233,1311 65660,1313 22.242,1314 0.695,1315 0.588,1316 22.595,1317 18.825,1318 15.639,1319 0.434,1320 0.305,1321 10.021,1322 14.63,1323 9.592,1324 8.003,1325 16.093,1326 10.975,1327 13.719,1328 0.264,1329 0.159,1330 14.243,1331 8.266,1332 12.718,1333 0.167,1334 0.088,1335 13.422,1336 6.674,1337 11.29,1338 0.107,1339 0.049,1340 12.258,1341 5.199,1342 9.441,1343 0.068,1344 0.026,1345 10.294,1346 3.654,1347 0.272,1348 102.463,1349 0.203,1350 29.396,1351 0.498,1352 176,1353 495.024,1354 209.721,1355 498.728,1356 699.18,1357 472,1358 216,1359 508.346,1360 250.068,1361 539.046,1362 794.01,1363 503,1364 5.658}
{0 CHEMBL401907,1 1.844,2 9.72,3 5.309,4 28.18,5 95.331,6 10.141,7 0.643,8 3.778,9 3.864,10 3.6,11 3.353,12 4.985,13 3.372,14 4.256,15 4.362,16 4.001,17 3.719,18 5.517,19 3.722,20 4.41,21 4.564,22 4.024,23 3.779,24 5.586,25 3.748,26 4.376,27 4.539,28 3.965,29 3.676,30 5.564,31 3.643,32 4.316,33 4.496,34 3.895,35 3.631,36 5.507,37 3.596,38 4.23,39 4.395,40 3.844,41 3.59,42 5.444,43 3.557,44 4.173,45 4.338,46 3.726,47 3.502,48 5.363,49 3.456,50 4.081,51 4.28,52 3.478,53 3.344,54 5.159,55 3.26,56 0.145,57 0.546,58 3.372,59 2.743,60 7.119,61 2.651,62 0.441,63 0.851,64 7.633,65 4.782,66 20.339,67 4.586,68 0.472,69 0.956,70 15.611,71 5.872,72 27.691,73 6.018,74 0.58,75 0.901,76 17.407,77 5.958,78 32.725,79 6.128,80 0.554,81 0.859,82 16.495,83 5.357,84 35.537,85 5.397,86 0.427,87 0.77,88 15.88,89 5.287,90 29.533,91 5.859,92 0.439,93 0.735,94 11.347,95 4.6,96 25.348,97 4.791,98 0.412,99 0.635,100 14.442,101 4.938,102 25.197,103 5.794,104 5,105 39,106 0.328,107 0.631,108 0.785,109 0.909,110 0.918,111 0.918,112 3.267,113 0.873,114 -4.64,115 -4.56,116 -4.29,118 45.9,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 2,171 3,173 3,175 3,178 6,182 2,184 1,186 3,188 3,192 6,195 2,196 1,197 4,199 1,203 1,204 6,211 2,214 1,215 6,220 2,223 3,227 1,228 2,231 1,233 3,235 1,239 1,240 1,243 1,245 3,247 2,252 2,260 4,264 882,265 17.102,266 17.102,267 17.102,268 17.102,269 17.102,270 14.797,271 25.341,272 10.141,273 17.731,274 13.865,275 13.865,276 13.865,277 13.865,278 13.865,279 10.445,280 43.148,281 4.86,282 15.024,283 3.365,284 1.666,285 0.801,286 0.108,287 0.054,288 0.054,289 3.967,290 2,293 1,294 1,295 537,296 2.449,299 52.834,300 219.818,303 98.203,307 1.616,308 23.555,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 54.667,320 243,321 4.489,322 3.486,323 6.684,324 4.082,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.135,331 3.02,332 5.735,333 3.703,334 2.772,335 3.737,336 0.532,337 8.116,338 2.577,339 3.968,340 2.934,341 5.624,342 3.497,343 2.564,344 3.572,345 0.4,346 7.489,347 2.384,348 3.625,349 2.783,350 5.398,351 3.225,352 2.327,353 2.947,354 0.4,355 6.975,356 2.057,357 3.403,358 2.459,359 4.979,360 2.98,361 2.083,362 2.678,364 5.895,365 1.828,366 3.168,367 2.123,368 4.649,369 2.705,370 1.796,371 2.407,373 4.961,374 1.587,375 3.033,376 1.955,377 4.593,378 2.593,379 1.653,380 2.233,382 4.621,383 1.522,384 2.685,385 1.804,386 3.622,387 2.181,388 1.224,389 1.769,391 2.697,392 1.151,393 2.64,394 1.325,395 3.491,396 2.13,397 1.164,398 1.706,400 2.576,401 1.112,402 2.236,403 1.222,404 3.473,405 2.095,406 1.125,407 1.218,409 2.511,410 1.075,411 1.788,412 1.113,413 3.417,414 1.555,415 0.659,416 0.721,417 1.779,418 0.584,419 1.522,420 0.775,421 2.956,422 1.141,423 0.274,424 0.329,425 0.651,426 0.212,427 1.294,428 0.221,429 2.864,430 0.94,435 0.928,436 0.146,437 2.53,438 0.466,439 -0.406,440 -0.509,441 -0.921,442 -0.258,443 0.866,444 -0.049,445 2.189,446 0.387,447 -0.434,448 -0.53,449 -1.117,450 -0.338,451 12.195,452 0.488,453 0.571,454 0.023,455 37.5,456 1.5,457 20,458 0.8,459 17.5,460 0.7,461 16.626,462 0.665,463 25.605,464 0.692,465 25.193,466 1.008,467 7.483,468 0.299,469 4.703,470 0.188,471 0.117,473 0.328,478 0.876,479 1.282,480 0.5,481 0.842,482 0.786,483 0.735,484 0.968,485 1.005,486 0.644,487 0.806,488 0.787,489 0.83,490 1.023,491 1.23,492 1.026,493 1.053,494 1.051,495 1.032,496 1.014,497 1.104,498 1.042,499 1.072,500 1,501 1.047,502 1.028,503 0.931,504 0.974,505 0.841,506 1.046,507 0.876,508 0.87,509 1.118,510 0.977,511 1.03,512 0.902,513 0.945,514 0.901,515 1.05,516 0.904,517 1.019,518 0.953,519 1.09,520 0.804,521 0.978,522 0.957,523 1.025,524 0.879,525 1.083,526 5,527 0.106,528 2.222,529 1.625,530 1.289,531 0.528,532 0.394,533 0.259,534 0.176,535 0.104,536 7615,537 26690,538 2.154,539 32.4,541 7,542 2,543 1,544 2,549 1.679,550 2.055,551 3.274,552 0.352,558 68.243,559 1.844,560 3.543,561 4.408,562 5.101,563 5.155,564 5.155,565 2.649,566 4.404,567 4.62,568 3.465,569 1039.53,570 7.981,571 12698,576 192.75,577 1.26,578 4.592,579 0.179,580 0.006,581 0.057,582 0.044,583 0.039,584 0.017,585 0.013,586 0.01,587 0.009,588 0.006,589 0.379,590 0.17,591 1,592 0.477,593 120.74,594 -0.13,595 -0.183,596 0.001,597 -0.054,598 -0.168,599 0.006,600 0.028,601 0.057,602 -0.011,603 0.038,604 0.029,605 -0.041,606 -0.127,607 -0.183,608 -0.117,609 -0.141,610 -0.145,611 -0.131,612 0.006,613 -0.087,614 -0.069,615 -0.127,616 -0.009,617 -0.112,618 -0.069,619 0.123,620 -0.026,621 0.094,622 -0.047,623 0.068,624 0.023,625 -0.12,626 -0.007,627 -0.072,628 0.074,629 0.023,630 0.026,631 -0.016,632 -0.063,633 -0.102,634 -0.051,635 -0.167,636 0.098,637 -0.04,638 0.013,639 -0.014,640 0.049,641 -0.01,642 1.338,643 2.162,644 0.84,645 20.029,646 1.03,647 1.118,648 3.412,649 11.642,650 0.742,651 3.367,652 3.689,653 3.951,654 4.234,655 4.419,656 4.454,657 4.522,658 4.663,659 4.663,660 4.736,661 6.117,662 0.724,663 375.23,664 3.367,665 4.905,666 5.753,667 6.629,668 7.491,669 8.371,670 9.238,671 10.12,672 10.99,673 11.874,674 10.8,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 2,716 37,718 18,719 2,720 28,722 40,723 17,724 16,725 6,726 6,728 4,729 5,730 2,740 16,741 1,760 12,761 6,762 2,763 8,764 2,769 4,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,824 2,827 25,833 1,834 2,835 2,849 2,850 5.4,855 2,858 12.167,859 6.686,860 5.417,861 2.003,863 3.419,864 1.46,865 1.023,866 4.633,867 10.852,868 3.638,869 4.256,870 4.806,871 5.369,872 5.879,873 6.014,874 6.284,875 6.726,876 7.024,877 7.363,878 1,879 37,880 9.14,881 3.89,882 7.782,883 17.145,884 13.809,885 2.282,886 57.056,890 117.711,891 109.26,892 69.593,893 78.297,894 22,897 109.26,898 218.008,899 69.593,901 6.65,902 66.334,903 45.342,904 90.07,905 27.769,906 82.398,907 78.297,908 117.711,909 178.853,910 22,911 78.297,913 117.711,914 22,917 53.618,918 91.663,919 111.868,921 117.711,922 91.592,923 187.557,926 117.711,927 33.879,928 75.381,929 36.022,930 133.868,931 117.711,932 91.592,933 187.557,935 0.581,936 0.335,937 0.187,938 0.099,939 20,940 8,941 0.1,942 4,943 1,944 1.095,945 3.791,946 209.112,947 0.095,948 21,949 116.096,954 16.418,955 7.055,956 3.645,958 91.592,959 14.179,960 8.635,964 4.714,966 36.022,967 396.861,968 37,980 38.127,981 41.376,983 0.354,984 0.68,985 0.846,986 0.979,987 0.99,988 0.99,989 4.864,990 1.224,991 5.727,992 4.621,993 4.369,994 4.942,995 1.805,996 6.515,997 4.21,998 6.068,999 1.164,1000 7.265,1001 2.697,1002 3.892,1003 4.691,1005 7.334,1006 3.568,1007 7.369,1008 1.125,1009 8.899,1010 2.576,1011 5.938,1012 7.123,1013 2.17,1014 10.442,1015 5.637,1016 8.704,1017 0.659,1018 10.592,1019 2.511,1020 6.275,1021 7.654,1023 12.12,1024 5.821,1025 10.068,1026 0.274,1027 12.324,1028 1.779,1029 7.776,1030 9.564,1031 2.746,1032 14.739,1033 7.336,1034 11.453,1036 14.084,1037 0.651,1038 8.509,1039 10.48,1041 16.803,1042 7.94,1043 12.855,1044 -0.406,1045 15.866,1047 9.781,1048 12.15,1049 3.372,1050 19.258,1051 9.202,1052 3.145,1053 -0.434,1054 17.666,1055 -0.921,1056 10.712,1057 13.277,1059 21.496,1060 10.025,1061 2.772,1062 10.781,1063 19.48,1064 -1.117,1065 11.889,1066 14.824,1067 4.015,1068 23.895,1069 11.17,1070 2.564,1071 8.116,1072 21.307,1073 4.173,1074 12.919,1075 16.071,1077 26.211,1078 12.107,1079 2.327,1080 7.489,1081 23.145,1082 3.737,1083 14.059,1084 17.551,1085 4.667,1086 28.593,1087 13.2,1088 2.083,1089 6.975,1090 24.991,1091 3.572,1092 15.139,1093 18.868,1095 30.942,1096 14.197,1097 1.796,1098 5.895,1099 26.846,1100 2.947,1101 16.268,1102 20.314,1103 5.323,1104 33.319,1105 15.269,1106 1.653,1107 4.961,1108 28.707,1109 2.678,1110 17.374,1111 21.672,1113 35.684,1114 16.297,1115 7125,1116 13481,1117 19.186,1118 27.455,1119 41.669,1120 43.004,1121 42.537,1122 41.882,1123 41.572,1124 54.978,1125 5.446,1126 118.104,1127 38.038,1128 5.346,1129 5.486,1130 6.243,1131 5.161,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 9.06,1138 1.488,1139 1.536,1140 1.519,1141 1.496,1142 1.485,1143 1.963,1144 0.195,1145 4.218,1146 1.359,1147 3.996,1148 4.024,1149 4.06,1150 3.885,1151 5.091,1152 3.895,1153 3.908,1154 3.93,1155 3.994,1156 3.834,1157 4.998,1158 3.832,1159 3.764,1160 3.804,1161 3.769,1162 3.61,1163 4.909,1164 3.633,1165 3.306,1166 3.326,1167 3.495,1168 3.051,1169 4.709,1170 3.082,1171 3.12,1172 3.194,1173 3.335,1174 2.926,1175 4.359,1176 2.941,1177 2.987,1178 3.061,1179 2.993,1180 2.813,1181 4.128,1182 2.818,1183 2.877,1184 2.921,1185 2.921,1186 2.783,1187 4.041,1188 2.761,1189 2.645,1190 2.711,1191 2.842,1192 2.497,1193 3.947,1194 2.494,1195 0.16,1196 0.124,1197 0.239,1198 0.146,1199 0.112,1200 4.489,1201 0.149,1202 3.486,1203 0.05,1204 6.684,1205 0.385,1206 4.082,1207 0.105,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.895,1214 1.868,1215 1.979,1216 2.03,1217 1.065,1218 2.014,1219 1.856,1220 1.84,1221 1.911,1222 1.946,1223 1.053,1224 1.947,1225 1.691,1226 1.648,1227 1.782,1228 1.838,1229 0.775,1230 1.83,1231 1.166,1232 1.133,1233 1.435,1234 1.521,1235 0.578,1236 1.486,1237 1.036,1238 0.971,1239 1.234,1240 1.29,1241 0.272,1242 1.28,1243 0.889,1244 0.824,1245 1.128,1246 1.157,1247 0.179,1248 1.158,1249 0.867,1250 0.813,1251 1.07,1252 1.01,1253 0.151,1254 1.053,1255 0.78,1256 0.782,1257 0.87,1258 0.951,1260 0.93,1261 4.043,1263 5.361,1264 2.398,1265 6.87,1266 4.595,1267 8.469,1268 6.605,1269 10.114,1272 12.261,1277 0.162,1278 6.258,1279 10.846,1289 26.804,1290 68.243,1291 131.098,1292 163.098,1293 188.75,1294 190.75,1295 190.75,1296 29.981,1297 7.433,1298 68.3,1299 68.3,1300 23,1301 12.41,1302 4.248,1303 3.322,1304 35.968,1305 92,1306 83,1307 0.19,1308 169.756,1309 288.76,1310 405.963,1311 18037,1312 5.4,1313 17.225,1314 0.689,1315 0.572,1316 18.225,1317 14.305,1318 12.187,1319 0.435,1320 0.291,1321 7.325,1322 11.087,1323 7.152,1324 5.884,1325 12.764,1326 8.153,1327 11.081,1328 0.284,1329 0.155,1330 11.86,1331 6.026,1332 9.2,1333 0.18,1334 0.079,1335 9.821,1336 4.028,1337 7.968,1338 0.117,1339 0.041,1340 8.512,1341 2.763,1342 6.209,1343 0.076,1344 0.022,1345 6.705,1346 1.767,1347 0.298,1348 82.966,1349 0.228,1350 24.278,1351 0.519,1352 134,1353 447.834,1354 180.449,1355 487.246,1356 652.12,1357 456,1358 157,1359 441.423,1360 194.594,1361 463.256,1362 681.05,1363 435,1364 5.876}
{0 CHEMBL402584,1 1.898,2 10.36,3 4.85,4 23.519,5 90.742,6 9.697,7 0.643,8 3.782,9 3.872,10 3.562,11 3.32,12 5.028,13 3.357,14 4.261,15 4.372,16 3.95,17 3.673,18 5.577,19 3.701,20 4.418,21 4.582,22 3.969,23 3.719,24 5.676,25 3.721,26 4.382,27 4.554,28 3.871,29 3.628,30 5.597,31 3.614,32 4.312,33 4.503,34 3.862,35 3.589,36 5.536,37 3.569,38 4.234,39 4.406,40 3.73,41 3.558,42 5.441,43 3.534,44 4.182,45 4.35,46 3.67,47 3.446,48 5.5,49 3.422,50 4.081,51 4.292,52 3.365,53 3.276,54 5.204,55 3.224,56 0.174,57 0.625,58 3.952,59 2.9,60 8.984,61 2.725,62 0.483,63 0.965,64 8.457,65 4.929,66 20.151,67 4.609,68 0.561,69 1.11,70 14.332,71 5.771,72 36.958,73 5.774,74 0.651,75 0.995,76 16.727,77 5.855,78 43.33,79 5.87,80 0.594,81 0.904,82 15.086,83 5.103,84 36.918,85 5.624,86 0.467,87 0.853,88 15.563,89 5.27,90 35.638,91 5.694,92 0.534,93 0.844,94 11.918,95 4.519,96 34.226,97 4.962,98 0.429,99 0.721,100 13.097,101 4.763,102 26.47,103 5.681,104 5,105 39,106 0.338,107 0.65,108 0.785,109 0.88,110 0.88,111 0.88,112 3.267,113 0.833,114 -4.53,115 -4.45,116 -4.19,118 45.9,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 2,171 3,173 3,175 3,178 3,182 2,184 1,186 4,188 3,192 6,195 2,196 1,197 2,203 1,204 8,211 2,214 1,215 2,220 2,223 3,227 1,228 2,231 1,233 4,235 2,239 1,240 1,243 1,245 1,252 2,260 4,264 893,265 17.102,266 17.102,267 17.102,268 17.102,269 17.102,270 14.797,271 25.367,272 10.108,273 17.657,274 13.848,275 13.848,276 13.848,277 13.848,278 13.848,279 10.439,280 41.904,281 4.845,282 14.866,283 3.311,284 1.558,285 0.801,286 0.27,287 0.27,288 0.27,289 3.967,290 1,293 1,294 1,295 573,296 2.449,299 53.247,300 221.459,303 99.003,307 1.706,308 29.125,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 55.833,320 259,321 4.489,322 3.486,323 6.684,324 4.082,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.122,331 2.976,332 5.725,333 3.693,334 2.759,335 3.723,336 0.532,337 8.064,338 2.586,339 3.953,340 2.927,341 5.607,342 3.495,343 2.546,344 3.555,345 0.4,346 7.405,347 2.402,348 3.628,349 2.798,350 5.346,351 3.234,352 2.331,353 2.949,354 0.4,355 6.86,356 2.082,357 3.46,358 2.496,359 4.997,360 3.052,361 2.133,362 2.758,364 5.96,365 1.931,366 3.217,367 2.139,368 4.745,369 2.771,370 1.848,371 2.471,373 5.244,374 1.682,375 3.036,376 1.968,377 4.61,378 2.603,379 1.658,380 2.237,382 4.631,383 1.55,384 2.667,385 1.805,386 3.622,387 2.147,388 1.206,389 1.744,391 2.682,392 1.127,393 2.5,394 1.302,395 3.485,396 2.096,397 1.126,398 1.5,400 2.514,401 1.075,402 2.236,403 1.115,404 3.417,405 2,406 1,407 1.218,409 2.275,410 1,411 1.788,412 1,413 3.414,414 1.555,415 0.659,416 0.721,417 1.78,418 0.584,419 1.522,420 0.775,421 2.964,422 1.142,423 0.275,424 0.329,425 0.655,426 0.213,427 1.46,428 0.611,429 2.881,430 1.109,431 0.194,432 0.236,433 0.469,434 0.174,435 0.956,436 -0.042,437 2.53,438 0.524,439 -0.379,440 -0.478,441 -0.898,442 -0.319,443 0.82,444 -0.052,445 2.189,446 0.41,447 -0.472,448 -0.569,449 -1.253,450 -0.39,451 11.767,452 0.471,453 0.571,454 0.023,455 37.5,456 1.5,457 20,458 0.8,459 17.5,460 0.7,461 15.825,462 0.633,463 26.033,464 0.704,465 25.851,466 1.034,467 7.614,468 0.305,469 4.572,470 0.183,471 0.085,473 0.34,477 1,478 0.796,479 1.121,480 0.531,481 0.92,482 0.622,483 0.773,484 0.894,485 0.968,486 0.689,487 0.896,488 0.663,489 0.874,490 1.045,491 1.175,492 0.993,493 1.035,494 1.034,495 1.016,496 1.05,497 0.987,498 1.182,499 1.054,500 0.981,501 1.074,502 0.706,503 0.704,504 0.862,505 0.777,506 0.494,507 0.836,508 0.945,509 0.961,510 1.221,511 1.011,512 0.867,513 0.977,514 0.683,515 0.834,516 0.994,517 1.111,518 0.61,519 1.172,520 0.783,521 0.965,522 0.897,523 0.999,524 0.743,525 1.051,526 5,527 0.073,528 2.444,529 1.375,530 1.369,531 0.472,532 0.434,533 0.26,534 0.217,535 0.131,536 7699,537 27298,538 2.154,539 32.4,541 7,542 2,543 1,544 2,549 1.678,550 2.055,551 3.333,552 0.352,558 70.243,559 1.898,560 3.651,561 4.408,562 4.939,563 4.939,564 4.939,565 2.759,566 4.244,567 4.618,568 3.513,569 1053.75,570 7.975,571 12832.6,573 1,576 192.75,577 1.26,578 4.592,579 0.179,580 0.004,581 0.063,582 0.037,583 0.043,584 0.015,585 0.014,586 0.01,587 0.011,588 0.007,589 0.383,590 0.17,591 1,592 0.477,593 120.995,594 -0.114,595 -0.154,596 0.009,597 -0.067,598 -0.1,599 0.005,600 0.003,601 -0.02,602 -0.017,603 -0.017,604 0.009,605 -0.061,606 -0.142,607 -0.157,608 -0.086,609 -0.114,610 -0.111,611 -0.111,612 -0.095,613 -0.055,614 -0.135,615 -0.105,616 -0.129,617 -0.132,618 0.068,619 0.124,620 0.138,621 0.149,622 0.085,623 0.139,624 -0.123,625 -0.081,626 -0.13,627 -0.037,628 -0.114,629 0.006,630 0.179,631 0.081,632 -0.08,633 -0.188,634 0.135,635 -0.238,636 0.047,637 -0.117,638 0.055,639 -0.013,640 0.031,641 0.032,642 1.975,643 4.975,644 0.84,645 20.451,646 1.036,647 1.129,648 3.297,649 10.867,650 0.717,651 3.367,652 3.689,653 3.951,654 4.22,655 4.431,656 4.443,657 4.533,658 4.654,659 4.673,660 4.718,661 6.208,662 0.712,663 358.78,664 3.367,665 4.905,666 5.753,667 6.627,668 7.489,669 8.367,670 9.236,671 10.114,672 10.987,673 11.867,674 10.8,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 2,716 37,718 18,719 2,720 28,722 40,723 17,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 1,758 1,760 12,761 7,762 2,763 8,764 1,769 4,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,824 1,825 1,827 25,833 1,834 2,835 2,849 2,850 5.4,855 2,858 12.167,859 6.686,860 5.417,861 2.003,863 3.408,864 1.459,865 1.027,866 4.402,867 10.842,868 3.638,869 4.256,870 4.806,871 5.358,872 5.891,873 6.001,874 6.294,875 6.72,876 7.033,877 7.349,878 0.857,879 37,880 9.169,881 3.946,882 7.938,883 17.006,884 13.7,885 2.438,886 60.944,890 117.711,891 114.88,892 69.593,893 39.149,894 22,895 14.96,897 114.88,898 178.859,899 84.553,901 6.65,902 66.334,903 45.342,904 95.691,905 42.729,906 82.398,907 39.149,908 117.711,909 184.473,910 36.96,911 39.149,913 132.671,914 22,917 53.618,918 97.284,919 72.72,921 132.671,922 91.592,923 154.029,926 117.711,927 39.499,928 75.381,929 36.022,930 109.68,931 117.711,932 106.552,933 154.029,935 0.582,936 0.336,937 0.183,938 0.101,939 20,940 8,941 0.1,942 4,943 1,944 1.095,945 3.804,946 208.452,947 0.095,948 21,949 112.096,954 16.087,955 6.841,956 3.512,958 106.552,959 12.671,960 8.519,964 3.456,966 36.022,967 378.292,968 37,980 38.316,981 41.772,983 0.364,984 0.701,985 0.846,986 0.948,987 0.948,988 0.948,989 4.864,990 1.206,991 5.727,992 4.631,993 4.369,994 4.942,995 1.805,996 6.512,997 4.228,998 6.068,999 1.126,1000 7.265,1001 2.682,1002 3.892,1003 4.691,1005 7.334,1006 3.617,1007 7.369,1008 1,1009 8.899,1010 2.514,1011 5.938,1012 7.123,1013 2.17,1014 10.431,1015 5.663,1016 8.704,1017 0.659,1018 10.591,1019 2.275,1020 6.275,1021 7.654,1023 12.113,1024 5.866,1025 10.068,1026 0.275,1027 12.321,1028 1.78,1029 7.774,1030 9.562,1031 2.746,1032 14.727,1033 7.364,1034 11.452,1035 0.194,1036 14.08,1037 0.655,1038 8.503,1039 10.474,1041 16.794,1042 7.974,1043 12.853,1044 -0.379,1045 15.861,1046 0.469,1047 9.774,1048 12.144,1049 3.372,1050 19.247,1051 9.227,1052 3.145,1053 -0.472,1054 17.66,1055 -0.898,1056 10.703,1057 13.267,1059 21.488,1060 10.051,1061 2.759,1062 10.781,1063 19.473,1064 -1.253,1065 11.879,1066 14.814,1067 4.015,1068 23.888,1069 11.191,1070 2.546,1071 8.064,1072 21.3,1073 4.173,1074 12.908,1075 16.058,1077 26.205,1078 12.127,1079 2.331,1080 7.405,1081 23.137,1082 3.723,1083 14.048,1084 17.539,1085 4.667,1086 28.588,1087 13.217,1088 2.133,1089 6.86,1090 24.984,1091 3.555,1092 15.127,1093 18.854,1095 30.938,1096 14.213,1097 1.848,1098 5.96,1099 26.838,1100 2.949,1101 16.257,1102 20.301,1103 5.323,1104 33.317,1105 15.283,1106 1.658,1107 5.244,1108 28.7,1109 2.758,1110 17.362,1111 21.658,1113 35.682,1114 16.31,1115 7203,1116 13701,1117 19.186,1118 26.534,1119 41.801,1120 43.267,1121 42.562,1122 41.91,1123 41.76,1124 55.225,1125 5.446,1126 118.638,1127 38.673,1128 5.345,1129 5.486,1130 6.235,1131 5.161,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 9.18,1138 1.493,1139 1.545,1140 1.52,1141 1.497,1142 1.491,1143 1.972,1144 0.195,1145 4.237,1146 1.381,1147 3.997,1148 4.026,1149 4.055,1150 3.881,1151 8.201,1152 3.894,1153 3.911,1154 3.935,1155 3.884,1156 3.82,1157 5.086,1158 3.824,1159 3.766,1160 3.808,1161 3.731,1162 3.608,1163 4.982,1164 3.632,1165 3.306,1166 3.326,1167 3.495,1168 3.051,1169 4.71,1170 3.082,1171 3.132,1172 3.204,1173 3.075,1174 2.91,1175 4.636,1176 2.94,1177 2.994,1178 3.067,1179 2.926,1180 2.804,1181 4.131,1182 2.817,1183 2.854,1184 2.925,1185 2.882,1186 2.735,1187 4.041,1188 2.715,1189 2.672,1190 2.736,1191 2.687,1192 2.495,1193 3.924,1194 2.503,1195 0.16,1196 0.124,1197 0.239,1198 0.146,1199 0.112,1200 4.489,1201 0.149,1202 3.486,1203 0.05,1204 6.684,1205 0.385,1206 4.082,1207 0.105,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.894,1214 1.864,1215 1.988,1216 2.036,1217 1.06,1218 2.018,1219 1.855,1220 1.838,1221 1.912,1222 1.955,1223 1.046,1224 1.95,1225 1.69,1226 1.647,1227 1.782,1228 1.843,1229 0.774,1230 1.831,1231 1.166,1232 1.133,1233 1.435,1234 1.521,1235 0.578,1236 1.486,1237 1.024,1238 0.96,1239 1.195,1240 1.299,1241 0.221,1242 1.274,1243 0.887,1244 0.821,1245 1.181,1246 1.159,1247 0.218,1248 1.155,1249 0.886,1250 0.812,1251 1.122,1252 1.062,1253 0.17,1254 1.107,1255 0.78,1256 0.782,1257 0.863,1258 0.951,1260 0.93,1261 4.043,1263 5.361,1264 2.398,1265 6.87,1266 4.595,1267 8.467,1268 6.605,1269 10.111,1272 6.25,1273 12.975,1277 0.144,1278 6.126,1279 10.804,1289 26.36,1290 70.243,1291 135.098,1292 163.098,1293 182.75,1294 182.75,1295 182.75,1296 34.232,1297 7.433,1298 68.3,1299 68.3,1300 23,1301 12.404,1302 4.248,1303 3.322,1304 36.002,1305 93,1306 100,1307 0.187,1308 162.621,1309 279.62,1310 388.555,1311 18037,1312 5.4,1313 17.225,1314 0.689,1315 0.542,1316 16.855,1317 13.549,1318 12.187,1319 0.435,1320 0.278,1321 7.27,1322 11.278,1323 7.152,1324 5.882,1325 12.082,1326 7.775,1327 11.069,1328 0.284,1329 0.143,1330 10.818,1331 5.586,1332 9.291,1333 0.182,1334 0.075,1335 9.238,1336 3.812,1337 7.759,1338 0.116,1339 0.038,1340 7.892,1341 2.54,1342 6.364,1343 0.077,1344 0.02,1345 6.402,1346 1.686,1347 0.295,1348 80.657,1349 0.228,1350 24.344,1351 0.51,1352 134,1353 507.742,1354 168.761,1355 487.181,1356 652.1,1357 456,1358 157,1359 457.894,1360 187.745,1361 463.119,1362 680.76,1363 435,1364 5.638}
{0 CHEMBL402903,1 1.786,2 10.423,3 4.628,4 21.416,5 96.989,6 9.044,7 0.621,8 3.87,9 3.962,10 3.599,11 3.381,12 5.064,13 3.41,14 4.357,15 4.481,16 3.966,17 3.728,18 5.573,19 3.747,20 4.469,21 4.624,22 4.001,23 3.801,24 5.621,25 3.79,26 4.491,27 4.659,28 3.946,29 3.76,30 5.638,31 3.727,32 4.49,33 4.695,34 3.913,35 3.726,36 5.606,37 3.686,38 4.389,39 4.578,40 3.8,41 3.671,42 5.528,43 3.627,44 4.325,45 4.517,46 3.711,47 3.551,48 5.456,49 3.517,50 4.219,51 4.428,52 3.444,53 3.407,54 5.278,55 3.349,56 0.135,57 0.609,58 5.772,59 3.319,60 7.139,61 3.491,62 0.511,63 0.93,64 12.814,65 5.594,66 26.419,67 5.764,68 0.449,69 1.037,70 16.326,71 6.053,72 25.643,73 6.776,74 0.576,75 1.025,76 19.307,77 6.646,78 32.097,79 7.611,80 0.593,81 1.014,82 20.193,83 6.365,84 38.198,85 7.653,86 0.474,87 0.918,88 19.289,89 6.156,90 31.532,91 7.594,92 0.471,93 0.857,94 16.591,95 5.401,96 30.141,97 6.637,98 0.466,99 0.761,100 15.182,101 4.938,102 28.867,103 6.07,104 6,105 40,106 0.312,107 0.625,108 0.797,109 0.898,110 0.907,111 0.907,112 3.304,113 0.848,114 -3.88,115 -3.84,116 -3.64,118 43.9,123 1,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 2,171 5,173 3,175 3,178 4,182 3,184 1,186 3,188 2,192 7,195 3,196 1,197 3,203 1,204 6,211 2,214 3,215 4,220 2,223 3,227 1,228 2,231 1,233 3,235 1,239 1,240 2,243 2,245 2,247 1,252 2,260 4,264 982,265 17.972,266 17.972,267 17.972,268 17.972,269 17.972,270 15.72,271 28.053,272 10.644,273 18.644,274 14.293,275 14.293,276 14.293,277 14.293,278 14.293,279 10.868,280 47.598,281 5.005,282 15.372,283 3.571,284 1.775,285 0.79,286 0.214,287 0.165,288 0.165,289 4.005,290 1,293 1,294 1,295 596,296 2.646,299 55.747,300 231.554,303 103.551,307 1.698,308 23.534,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 57.333,320 271,321 4.489,322 3.486,323 6.684,324 4.082,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.143,331 2.981,332 5.745,333 3.723,334 2.783,335 3.746,336 0.86,337 8.161,338 2.625,339 3.986,340 2.923,341 5.64,342 3.531,343 2.591,344 3.586,345 0.532,346 7.588,347 2.426,348 3.627,349 2.759,350 5.457,351 3.239,352 2.336,353 2.947,354 0.4,355 7.091,356 2.089,357 3.433,358 2.453,359 5.08,360 3.046,361 2.126,362 2.705,363 0.4,364 6.158,365 1.931,366 3.197,367 2.126,368 4.745,369 2.762,370 1.836,371 2.439,373 5.21,374 1.679,375 3.036,376 1.96,377 4.609,378 2.603,379 1.658,380 2.236,382 4.629,383 1.551,384 2.694,385 1.805,386 3.623,387 2.208,388 1.24,389 1.782,391 2.711,392 1.199,393 2.644,394 1.35,395 3.501,396 2.133,397 1.173,398 1.712,400 2.6,401 1.116,402 2.236,403 1.246,404 3.477,405 2.095,406 1.125,407 1.218,409 2.512,410 1.075,411 1.788,412 1.113,413 3.417,414 1.555,415 0.659,416 0.721,417 1.779,418 0.584,419 1.584,420 0.936,421 2.961,422 1.295,423 0.431,424 0.482,425 0.652,426 0.369,427 1.522,428 0.775,429 2.881,430 1.141,431 0.274,432 0.329,433 0.627,434 0.212,435 1.291,436 0.153,437 2.671,438 0.94,443 0.888,444 -0.049,445 2.53,446 0.461,447 -0.424,448 -0.52,449 -1.085,450 -0.337,451 12.314,452 0.474,453 0.533,454 0.021,455 38.75,456 1.49,457 20.5,458 0.788,459 18.25,460 0.702,461 17.053,462 0.656,463 27.286,464 0.666,465 27.03,466 1.04,467 7.895,468 0.304,469 4.829,470 0.186,471 0.099,473 0.325,478 0.924,479 1.355,480 0.569,481 1.007,482 0.846,483 0.833,484 1.146,485 0.944,486 0.717,487 0.794,488 0.942,489 0.783,490 1.033,491 1.252,492 0.964,493 1.04,494 1.018,495 0.997,496 0.942,497 1.15,498 1.102,499 1.129,500 0.996,501 1.106,502 0.917,503 0.962,504 0.877,505 0.824,506 0.933,507 0.861,508 0.824,509 1.064,510 1.117,511 1.004,512 0.946,513 0.967,514 0.828,515 1.087,516 0.919,517 1.044,518 0.891,519 1.023,520 0.928,521 0.898,522 0.969,523 0.892,524 1.053,525 0.998,526 5,527 0.106,528 2.222,529 1.625,530 1.329,531 0.59,532 0.394,533 0.259,534 0.188,535 0.12,536 8462,537 26791,538 2.148,539 36.6,541 10,542 2,543 1,544 2,549 1.69,550 2.053,551 3.356,552 0.327,558 73.243,559 1.786,560 3.583,561 4.567,562 5.144,563 5.193,564 5.193,565 2.738,566 4.393,567 4.676,568 3.538,569 1149.91,570 8.093,571 14494.8,573 1,576 219.66,577 1.239,578 4.65,579 0.172,580 0.006,581 0.056,582 0.042,583 0.038,584 0.018,585 0.012,586 0.009,587 0.009,588 0.006,589 0.367,590 0.33,591 1,592 0.646,593 127.619,594 -0.116,595 -0.228,596 0.024,597 -0.109,598 -0.151,599 -0.014,600 -0.026,601 0.117,602 0.023,603 0.119,604 0.005,605 0.064,606 -0.118,607 -0.178,608 -0.069,609 -0.117,610 -0.115,611 -0.109,612 0.031,613 -0.125,614 -0.092,615 -0.176,616 -0.022,617 -0.178,618 -0.012,619 0.063,620 0.109,621 0.12,622 0.049,623 0.108,624 0.035,625 -0.053,626 -0.046,627 -0.028,628 0.039,629 0.011,630 0.067,631 -0.064,632 0.012,633 -0.106,634 0.056,635 -0.065,636 -0.002,637 0.112,638 -0.075,639 0.042,640 -0.099,641 -0.024,642 1.337,643 2.179,644 0.808,645 21.633,646 1.025,647 1.123,648 2.653,649 7.038,650 0.703,651 3.401,652 3.714,653 3.989,654 4.263,655 4.454,656 4.489,657 4.575,658 4.691,659 4.71,660 4.779,661 6.368,662 0.688,663 370.82,664 3.401,665 4.934,666 5.784,667 6.658,668 7.521,669 8.4,670 9.268,671 10.149,672 11.02,673 11.902,674 9.8,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 3,715 1,716 41,718 18,719 2,720 29,722 44,723 18,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 2,757 1,760 15,761 7,762 2,763 8,764 1,769 4,775 0.75,776 3,788 1,793 1,794 3,797 1,819 3,823 1,824 1,827 26,833 1,834 2,835 3,849 1,850 7.3,855 3,858 12.667,859 7.71,860 5.75,861 2.176,863 3.451,864 1.458,865 1.005,866 4.903,867 10.977,868 3.664,869 4.27,870 4.83,871 5.39,872 5.904,873 6.044,874 6.333,875 6.744,876 7.055,877 7.395,878 0.857,879 39,880 9.512,881 3.996,882 7.748,883 17.894,884 14.219,885 2.248,886 58.444,889 1,890 153.024,891 121.886,892 69.593,893 39.149,894 33,897 121.886,898 225.173,899 69.593,900 10.883,901 6.65,902 66.334,903 45.342,904 102.813,905 27.769,906 117.711,907 39.149,908 153.024,909 191.478,910 33,911 39.149,913 153.024,914 33,917 53.618,918 104.289,919 72.72,921 153.024,922 102.592,923 161.034,926 153.024,927 35.622,928 86.264,929 36.022,930 105.719,931 153.024,932 102.592,933 161.034,935 0.575,936 0.34,937 0.189,938 0.101,939 20,940 8,941 0.114,942 5,943 1,944 1.095,945 3.876,946 219.604,947 0.095,948 21,949 122.211,954 17.058,955 7.473,956 3.763,958 102.592,959 14.402,960 8.691,964 4.882,966 36.022,967 416.651,968 38,980 42.014,981 46.057,983 0.333,984 0.669,985 0.852,986 0.96,987 0.969,988 0.969,989 4.887,990 1.24,991 5.753,992 4.629,993 4.394,994 4.956,995 2.022,996 6.541,997 4.252,998 6.084,999 1.173,1000 7.291,1001 2.711,1002 3.892,1003 4.691,1005 7.368,1006 3.633,1007 7.383,1008 1.125,1009 8.926,1010 2.6,1011 5.964,1012 7.135,1013 2.288,1014 10.47,1015 5.689,1016 8.718,1017 0.659,1018 10.62,1019 2.512,1020 6.293,1021 7.664,1023 12.15,1024 5.897,1025 10.083,1026 0.431,1027 12.352,1028 1.779,1029 7.802,1030 9.575,1031 2.797,1032 14.762,1033 7.395,1034 11.468,1035 0.274,1036 14.112,1037 0.652,1038 8.531,1039 10.492,1041 16.824,1042 8.013,1043 12.871,1045 15.894,1046 0.627,1047 9.805,1048 12.161,1049 3.392,1050 19.273,1051 9.263,1052 3.145,1053 -0.424,1054 17.693,1056 10.734,1057 13.289,1059 21.509,1060 10.093,1061 2.783,1062 10.781,1063 19.505,1064 -1.085,1065 11.91,1066 14.834,1067 4.023,1068 23.905,1069 11.231,1070 2.591,1071 8.161,1072 21.331,1073 4.173,1074 12.939,1075 16.082,1077 26.218,1078 12.17,1079 2.336,1080 7.588,1081 23.166,1082 3.746,1083 14.078,1084 17.561,1085 4.67,1086 28.599,1087 13.258,1088 2.126,1089 7.091,1090 25.011,1091 3.586,1092 15.157,1093 18.878,1095 30.947,1096 14.255,1097 1.836,1098 6.158,1099 26.863,1100 2.947,1101 16.284,1102 20.324,1103 5.325,1104 33.323,1105 15.322,1106 1.658,1107 5.21,1108 28.723,1109 2.705,1110 17.388,1111 21.681,1113 35.686,1114 16.349,1115 7957,1116 14327,1117 19.879,1118 28.813,1119 42.69,1120 44.368,1121 43.914,1122 42.829,1123 42.754,1124 56.151,1125 7.166,1126 120.995,1127 39.568,1128 5.346,1129 5.486,1130 6.277,1131 5.162,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 9.432,1138 1.472,1139 1.53,1140 1.514,1141 1.477,1142 1.474,1143 1.936,1144 0.247,1145 4.172,1146 1.364,1147 3.998,1148 4.026,1149 4.056,1150 3.882,1151 5.089,1152 3.894,1153 3.913,1154 3.933,1155 3.882,1156 3.822,1157 4.988,1158 3.826,1159 3.767,1160 3.808,1161 3.73,1162 3.608,1163 4.846,1164 3.632,1165 3.307,1166 3.336,1167 3.495,1168 3.051,1169 4.709,1170 3.082,1171 3.264,1172 3.318,1173 3.119,1174 2.99,1175 4.396,1176 3.009,1177 3.094,1178 3.174,1179 2.98,1180 2.883,1181 4.131,1182 2.895,1183 2.979,1184 3.055,1185 2.921,1186 2.801,1187 4.041,1188 2.807,1189 2.765,1190 2.84,1191 2.844,1192 2.624,1193 3.957,1194 2.601,1195 0.155,1196 0.12,1197 0.23,1198 0.141,1199 0.108,1200 4.489,1201 0.144,1202 3.486,1203 0.048,1204 6.684,1205 0.372,1206 4.082,1207 0.101,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.895,1214 1.868,1215 1.994,1216 2.037,1217 1.068,1218 2.02,1219 1.856,1220 1.84,1221 1.913,1222 1.958,1223 1.054,1224 1.953,1225 1.692,1226 1.648,1227 1.784,1228 1.846,1229 0.776,1230 1.833,1231 1.204,1232 1.139,1233 1.571,1234 1.526,1235 0.578,1236 1.535,1237 1.164,1238 1.126,1239 1.435,1240 1.513,1241 0.574,1242 1.486,1243 1.023,1244 0.951,1245 1.234,1246 1.28,1247 0.271,1248 1.274,1249 0.889,1250 0.813,1251 1.128,1252 1.156,1253 0.179,1254 1.158,1255 0.79,1256 0.782,1257 1.07,1258 0.979,1259 0.14,1260 1.017,1261 4.078,1263 5.389,1264 2.398,1265 6.897,1266 4.595,1267 8.495,1268 6.605,1269 10.14,1271 1.619,1272 6.29,1277 0.163,1278 6.309,1279 16.088,1289 28.218,1290 73.243,1291 146.889,1292 187.253,1293 210.905,1294 212.905,1295 212.905,1296 30.721,1297 7.526,1298 77.53,1299 77.53,1300 23,1301 12.439,1302 4.248,1303 3.322,1304 38.1,1305 100,1306 100,1307 0.185,1308 175.011,1309 299.64,1310 418.787,1311 20412,1312 2.4,1313 17.933,1314 0.69,1315 0.561,1316 18.433,1317 14.579,1318 12.725,1319 0.439,1320 0.283,1321 7.677,1322 11.777,1323 7.494,1324 6.21,1325 13.013,1326 8.198,1327 11.25,1328 0.281,1329 0.145,1330 11.621,1331 5.811,1332 9.624,1333 0.182,1334 0.076,1335 9.982,1336 4.038,1337 8.182,1338 0.117,1339 0.039,1340 8.457,1341 2.707,1342 6.492,1343 0.076,1344 0.021,1345 6.822,1346 1.773,1347 0.292,1348 84.134,1349 0.224,1350 25.15,1351 0.504,1352 138,1353 469.366,1354 171.809,1355 471.455,1356 641.12,1357 444,1358 162,1359 455.106,1360 192.493,1361 467.284,1362 685.28,1363 437,1364 6.194}
{0 CHEMBL402933,1 1.898,2 9.68,3 4.85,4 23.519,5 90.742,6 9.697,7 0.643,8 3.782,9 3.872,10 3.562,11 3.32,12 5.029,13 3.357,14 4.261,15 4.372,16 3.95,17 3.673,18 5.566,19 3.701,20 4.42,21 4.582,22 3.999,23 3.719,24 5.708,25 3.726,26 4.394,27 4.562,28 3.905,29 3.626,30 5.667,31 3.627,32 4.326,33 4.512,34 3.9,35 3.587,36 5.652,37 3.58,38 4.234,39 4.406,40 3.762,41 3.556,42 5.471,43 3.543,44 4.188,45 4.354,46 3.667,47 3.444,48 5.485,49 3.428,50 4.089,51 4.298,52 3.321,53 3.277,54 5.207,55 3.217,56 0.174,57 0.625,58 3.952,59 2.9,60 9.06,61 2.725,62 0.483,63 0.965,64 8.457,65 4.929,66 21.426,67 4.609,68 0.571,69 1.138,70 14.313,71 5.756,72 34.995,73 5.928,74 0.693,75 1.066,76 16.774,77 5.893,78 49.077,79 5.588,80 0.665,81 0.985,82 15.141,83 5.13,84 49.3,85 5.434,86 0.448,87 0.87,88 15.536,89 5.266,90 30.723,91 5.756,92 0.536,93 0.86,94 11.947,95 4.552,96 32.082,97 4.697,98 0.478,99 0.731,100 13.161,101 4.787,102 35.898,103 5.447,104 5,105 39,106 0.338,107 0.65,108 0.795,109 0.909,110 0.918,111 0.918,112 3.267,113 0.834,114 -4.53,115 -4.45,116 -4.19,118 45.9,125 1,138 7,140 6,141 1,143 1,146 1,167 4,170 2,171 3,173 3,175 2,178 3,182 2,184 1,186 4,188 2,192 4,195 2,196 1,197 3,203 1,204 8,211 2,214 1,215 4,220 1,223 2,227 1,228 2,231 1,233 4,235 2,239 1,240 1,243 1,245 2,247 1,252 1,260 2,264 871,265 17.154,266 17.154,267 17.154,268 17.154,269 17.154,270 14.822,271 23.696,272 10.164,273 17.695,274 13.843,275 13.843,276 13.843,277 13.843,278 13.843,279 10.419,280 39.118,281 4.84,282 14.843,283 3.311,284 1.558,285 0.747,286 0.108,287 0.054,288 0.054,289 3.967,290 1,293 1,294 1,295 535,296 2.449,299 52.461,300 218.441,303 97.486,307 1.584,308 30.005,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 55.833,320 242,321 4.489,322 3.486,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.213,331 3.173,332 6.067,333 3.799,334 2.859,335 3.823,336 0.532,337 8.787,338 2.684,339 4.002,340 2.935,341 5.684,342 3.538,343 2.605,344 3.608,345 0.4,346 7.742,347 2.423,348 3.622,349 2.739,350 5.497,351 3.222,352 2.323,353 2.945,354 0.4,355 7.094,356 2.06,357 3.332,358 2.322,359 4.96,360 2.917,361 2.004,362 2.595,364 5.795,365 1.807,366 3.051,367 2.053,368 4.617,369 2.622,370 1.678,371 2.254,373 4.646,374 1.563,375 2.878,376 1.825,377 4.129,378 2.398,379 1.419,380 2.049,382 3.671,383 1.387,384 2.82,385 1.743,386 3.624,387 2.363,388 1.414,389 1.946,391 2.971,392 1.327,393 2.656,394 1.473,395 3.593,396 2.137,397 1.189,398 1.728,400 2.662,401 1.118,402 2.236,403 1.27,404 3.482,405 2.095,406 1.125,407 1.218,409 2.513,410 1.075,411 1.788,412 1.113,413 3.417,414 1.555,415 0.659,416 0.721,417 1.779,418 0.584,419 1.522,420 0.775,421 2.957,422 1.141,423 0.274,424 0.329,425 0.654,426 0.213,427 1.46,428 0.512,429 2.868,430 1.107,431 0.187,432 0.23,433 0.446,434 0.17,435 0.953,436 -0.042,437 2.53,438 0.52,439 -0.381,440 -0.479,441 -0.899,442 -0.32,443 0.83,444 -0.052,445 2.189,446 0.415,447 -0.468,448 -0.567,449 -1.223,450 -0.388,451 11.767,452 0.471,453 0.554,454 0.022,455 37.5,456 1.5,457 20,458 0.8,459 17.5,460 0.7,461 15.966,462 0.639,463 26.033,464 0.704,465 26.044,466 1.042,467 7.629,468 0.305,469 4.574,470 0.183,471 0.085,473 0.34,477 1,478 0.796,479 1.121,480 0.531,481 0.92,482 0.62,483 0.773,484 0.894,485 0.968,486 0.689,487 0.896,488 0.689,489 0.874,490 0.955,491 1.155,492 0.935,493 1.037,494 0.95,495 0.994,496 1.245,497 1.128,498 1.215,499 1.06,500 1.325,501 1.057,502 0.84,503 0.774,504 0.887,505 0.78,506 0.768,507 0.83,508 0.917,509 1.022,510 1.162,511 1.018,512 0.795,513 0.937,514 0.901,515 0.978,516 1.057,517 1.116,518 0.951,519 1.17,520 0.96,521 0.952,522 1.019,523 0.991,524 1.077,525 1.108,526 4.5,527 0.099,528 2.667,529 1.5,530 1.449,531 0.472,532 0.416,533 0.233,534 0.156,535 0.164,536 7531,537 26082,538 2.154,539 32.4,541 7,542 2,543 1,544 2,549 1.68,550 2.055,551 3.255,552 0.352,558 70.243,559 1.898,560 3.651,561 4.462,562 5.101,563 5.155,564 5.155,565 2.628,566 4.404,567 4.621,568 3.437,569 1031.16,570 7.985,571 12560.6,573 1,576 192.75,577 1.26,578 4.592,579 0.161,580 0.005,581 0.068,582 0.039,583 0.044,584 0.015,585 0.013,586 0.009,587 0.008,588 0.009,589 0.372,590 0.17,591 1,592 0.477,593 120.471,594 -0.114,595 -0.154,596 0.009,597 -0.067,598 -0.098,599 0.005,600 0.003,601 -0.02,602 -0.017,603 -0.017,604 -0.018,605 -0.061,606 -0.049,607 -0.136,608 -0.026,609 -0.116,610 -0.024,611 -0.088,612 -0.152,613 -0.068,614 -0.166,615 -0.105,616 -0.186,617 -0.14,618 0.082,619 0.192,620 0.116,621 0.153,622 0.117,623 0.118,624 -0.094,625 -0.144,626 -0.07,627 -0.044,628 -0.04,629 0.047,630 0.042,631 0.013,632 -0.142,633 -0.188,634 -0.035,635 -0.251,636 -0.041,637 -0.018,638 -0.068,639 -0.001,640 -0.119,641 -0.044,642 2.057,643 5.744,644 0.84,645 19.606,646 1.036,647 1.129,648 3.297,649 10.867,650 0.717,651 3.367,652 3.689,653 3.97,654 4.234,655 4.431,656 4.443,657 4.533,658 4.654,659 4.682,660 4.727,661 6.034,662 0.712,663 358.78,664 3.367,665 4.905,666 5.759,667 6.635,668 7.503,669 8.382,670 9.255,671 10.135,672 11.011,673 11.893,674 10.8,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 2,716 37,718 18,719 2,720 28,722 40,723 17,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 1,758 1,760 12,761 7,762 2,763 8,764 1,769 4,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,824 1,825 1,827 25,833 1,834 2,835 2,849 2,850 5.4,855 2,858 12.167,859 6.686,860 5.444,861 2.01,863 3.45,864 1.464,865 1.027,866 4.402,867 10.884,868 3.638,869 4.256,870 4.818,871 5.365,872 5.885,873 6.001,874 6.295,875 6.715,876 7.035,877 7.338,878 1,879 38,880 9.188,881 3.972,882 7.938,883 17.006,884 13.705,885 2.438,886 60.944,890 117.711,891 114.88,892 69.593,893 39.149,894 22,895 14.96,897 114.88,898 178.859,899 84.553,901 6.65,902 66.334,903 45.342,904 95.691,905 42.729,906 82.398,907 39.149,908 117.711,909 184.473,910 36.96,911 39.149,913 132.671,914 22,917 53.618,918 97.284,919 72.72,921 132.671,922 91.592,923 154.029,926 117.711,927 39.499,928 75.381,929 36.022,930 109.68,931 117.711,932 106.552,933 154.029,935 0.581,936 0.344,937 0.188,938 0.1,939 20,940 8,941 0.1,942 4,943 1,944 1.095,945 3.774,946 210.087,947 0.095,948 21,949 116.096,954 16.087,955 6.841,956 3.372,958 106.552,959 12.945,960 8.411,964 2.753,966 36.022,967 378.292,968 37,980 38.316,981 41.772,983 0.364,984 0.701,985 0.857,986 0.979,987 0.99,988 0.99,989 4.864,990 1.414,991 5.733,992 3.671,993 4.369,994 4.942,995 1.805,996 6.532,997 4.228,998 6.068,999 1.189,1000 7.281,1001 2.971,1002 3.892,1003 4.691,1005 7.391,1006 3.617,1007 7.372,1008 1.125,1009 8.93,1010 2.662,1011 5.948,1012 7.131,1013 2.17,1014 10.501,1015 5.672,1016 8.712,1017 0.659,1018 10.638,1019 2.513,1020 6.312,1021 7.685,1023 12.212,1024 5.901,1025 10.082,1026 0.274,1027 12.386,1028 1.779,1029 7.811,1030 9.59,1031 2.746,1032 14.826,1033 7.397,1034 11.475,1035 0.187,1036 14.161,1037 0.654,1038 8.569,1039 10.531,1041 16.897,1042 8.037,1043 12.884,1044 -0.381,1045 15.957,1046 0.446,1047 9.839,1048 12.194,1049 3.372,1050 19.344,1051 9.287,1052 3.145,1053 -0.468,1054 17.767,1055 -0.899,1056 10.786,1057 13.34,1059 21.577,1060 10.133,1061 2.859,1062 10.781,1063 19.59,1064 -1.223,1065 11.962,1066 14.881,1067 4.015,1068 23.968,1069 11.27,1070 2.605,1071 8.787,1072 21.423,1073 4.173,1074 13,1075 16.139,1077 26.275,1078 12.219,1079 2.323,1080 7.742,1081 23.264,1082 3.823,1083 14.139,1084 17.616,1085 4.667,1086 28.648,1087 13.308,1088 2.004,1089 7.094,1090 25.112,1091 3.608,1092 15.221,1093 18.939,1095 30.99,1096 14.309,1097 1.678,1098 5.795,1099 26.966,1100 2.945,1101 16.349,1102 20.382,1103 5.323,1104 33.36,1105 15.377,1106 1.419,1107 4.646,1108 28.825,1109 2.595,1110 17.454,1111 21.742,1113 35.718,1114 16.406,1115 7048,1116 13262,1117 19.186,1118 26.534,1119 41.781,1120 43.306,1121 42.729,1122 41.907,1123 41.767,1124 55.238,1125 5.446,1126 119.078,1127 38.682,1128 5.346,1129 5.486,1130 6.371,1131 5.161,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 8.92,1138 1.492,1139 1.547,1140 1.526,1141 1.497,1142 1.492,1143 1.973,1144 0.195,1145 4.253,1146 1.381,1147 3.997,1148 4.026,1149 4.056,1150 3.881,1151 8.201,1152 3.894,1153 3.912,1154 3.935,1155 3.888,1156 3.82,1157 5.085,1158 3.825,1159 3.764,1160 3.807,1161 3.728,1162 3.608,1163 4.979,1164 3.631,1165 3.306,1166 3.326,1167 3.495,1168 3.051,1169 4.71,1170 3.082,1171 3.117,1172 3.195,1173 3.034,1174 2.912,1175 4.645,1176 2.932,1177 2.987,1178 3.062,1179 2.924,1180 2.805,1181 4.138,1182 2.814,1183 2.898,1184 2.956,1185 2.867,1186 2.733,1187 4.041,1188 2.734,1189 2.654,1190 2.723,1191 2.81,1192 2.495,1193 3.981,1194 2.496,1195 0.16,1196 0.124,1197 0.239,1198 0.146,1199 0.112,1200 4.489,1201 0.149,1202 3.486,1203 0.05,1204 6.684,1205 0.385,1206 4.083,1207 0.105,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.893,1214 1.864,1215 1.988,1216 2.036,1217 1.06,1218 2.017,1219 1.855,1220 1.838,1221 1.913,1222 1.955,1223 1.045,1224 1.951,1225 1.691,1226 1.647,1227 1.784,1228 1.842,1229 0.775,1230 1.832,1231 1.166,1232 1.133,1233 1.435,1234 1.521,1235 0.578,1236 1.486,1237 1.038,1238 0.969,1239 1.238,1240 1.296,1241 0.275,1242 1.286,1243 0.889,1244 0.813,1245 1.13,1246 1.159,1247 0.179,1248 1.158,1249 0.859,1250 0.803,1251 1.105,1252 1.068,1253 0.141,1254 1.078,1255 0.78,1256 0.782,1257 0.864,1258 0.951,1260 0.93,1261 4.043,1263 5.361,1264 2.398,1265 6.876,1266 4.595,1267 8.482,1268 6.605,1269 10.134,1272 6.241,1273 13.744,1277 0.133,1278 5.931,1279 10.787,1289 26.36,1290 70.243,1291 135.098,1292 165.098,1293 188.75,1294 190.75,1295 190.75,1296 35.876,1297 7.433,1298 68.3,1299 68.3,1300 23,1301 12.429,1302 4.248,1303 3.322,1304 35.944,1305 91,1306 81,1307 0.192,1308 162.621,1309 279.62,1310 388.555,1311 18037,1312 5.4,1313 17.225,1314 0.689,1315 0.542,1316 16.855,1317 13.549,1318 12.204,1319 0.436,1320 0.278,1321 7.276,1322 11.304,1323 7.16,1324 5.892,1325 12.082,1326 7.781,1327 10.965,1328 0.281,1329 0.143,1330 10.818,1331 5.559,1332 9.414,1333 0.181,1334 0.074,1335 9.238,1336 3.832,1337 7.894,1338 0.116,1339 0.038,1340 7.892,1341 2.561,1342 6.322,1343 0.076,1344 0.02,1345 6.402,1346 1.676,1347 0.301,1348 80.758,1349 0.228,1350 24.218,1351 0.529,1352 134,1353 507.742,1354 168.761,1355 487.077,1356 652.72,1357 456,1358 158,1359 458.894,1360 189.591,1361 464.052,1362 684.37,1363 436,1364 5.301}
{0 CHEMBL402934,1 1.761,2 9.625,3 4.644,4 21.568,5 90.526,6 9.211,7 0.667,8 3.77,9 3.865,10 3.519,11 3.322,12 4.961,13 3.343,14 4.247,15 4.363,16 3.89,17 3.677,18 5.473,19 3.682,20 4.394,21 4.567,22 3.906,23 3.724,24 5.525,25 3.697,26 4.363,27 4.541,28 3.834,29 3.631,30 5.501,31 3.598,32 4.304,33 4.498,34 3.824,35 3.59,36 5.468,37 3.561,38 4.219,39 4.397,40 3.69,41 3.56,42 5.366,43 3.52,44 4.163,45 4.339,46 3.577,47 3.448,48 5.317,49 3.403,50 4.064,51 4.283,52 3.255,53 3.281,54 5.063,55 3.193,56 0.104,57 0.557,58 4.839,59 2.871,60 6.274,61 2.994,62 0.389,63 0.866,64 9.814,65 4.881,66 20.236,67 5.046,68 0.373,69 0.978,70 15.453,71 5.695,72 23.645,73 6.523,74 0.486,75 0.919,76 17.64,77 5.8,78 29.282,79 6.475,80 0.475,81 0.871,82 16.004,83 5.106,84 31.929,85 5.788,86 0.329,87 0.789,88 16.098,89 5.233,90 24.929,91 6.096,92 0.394,93 0.747,94 12.905,95 4.509,96 25.422,97 5.154,98 0.329,99 0.653,100 13.407,101 4.735,102 21.634,103 5.952,104 2,105 37,106 0.314,107 0.608,108 0.751,109 0.866,110 0.88,111 0.88,112 3.229,113 0.853,114 -4.41,115 -4.34,116 -4.09,118 45.9,125 1,138 8,140 5,141 1,143 1,146 1,167 5,170 2,171 3,173 3,175 3,178 5,182 2,184 1,186 4,188 3,192 6,195 2,196 1,197 3,203 1,204 8,211 2,214 1,215 4,220 2,223 3,227 1,228 2,231 1,233 4,235 2,239 1,240 1,243 1,245 2,247 1,252 2,260 4,264 792,265 16.654,266 16.654,267 16.654,268 16.654,269 16.654,270 14.375,271 23.74,272 10.022,273 17.147,274 13.382,275 13.382,276 13.382,277 13.382,278 13.382,279 10.035,280 41.241,281 4.81,282 14.275,283 3.448,284 1.798,285 0.993,286 0.345,287 0.27,288 0.27,289 3.931,290 1,293 1,294 1,295 514,296 2.345,299 50.026,300 208.727,303 93.044,307 1.604,308 19.973,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 52.333,320 231,321 4.489,322 3.486,323 6.684,324 4.082,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.105,331 2.95,332 5.722,333 3.674,334 2.745,335 3.699,336 0.532,337 8.052,338 2.558,339 3.853,340 2.861,341 5.6,342 3.427,343 2.472,344 3.406,345 0.4,346 7.374,347 2.358,348 3.617,349 2.56,350 5.298,351 3.204,352 2.297,353 2.943,354 0.4,355 6.745,356 2.047,357 3.313,358 2.184,359 4.848,360 2.881,361 1.958,362 2.582,364 5.525,365 1.785,366 3.049,367 2.005,368 4.613,369 2.619,370 1.673,371 2.253,373 4.637,374 1.562,375 2.862,376 1.81,377 3.64,378 2.395,379 1.418,380 2.018,382 3.05,383 1.382,384 2.658,385 1.48,386 3.572,387 2.139,388 1.192,389 1.732,391 2.656,392 1.119,393 2.5,394 1.272,395 3.477,396 2.096,397 1.126,398 1.5,400 2.512,401 1.075,402 2.236,403 1.114,404 3.417,405 2,406 1,407 1.218,409 2.136,410 1,411 1.788,412 1,413 3.247,414 1.555,415 0.659,416 0.721,417 1.779,418 0.584,419 1.522,420 0.775,421 2.946,422 1.141,423 0.274,424 0.329,425 0.651,426 0.212,427 1.292,428 0.153,429 2.788,430 0.94,435 0.888,436 -0.049,437 2.529,438 0.461,439 -0.425,440 -0.52,441 -1.082,442 -0.337,443 0.691,444 -0.469,445 2.189,446 0.225,447 -0.719,448 -0.953,449 -1.709,450 -0.661,451 11.481,452 0.478,453 0.465,454 0.019,455 36.75,456 1.531,457 20,458 0.833,459 16.75,460 0.698,461 14.714,462 0.613,463 24.519,464 0.663,465 24.226,466 1.009,467 7.411,468 0.309,469 4.382,470 0.183,471 0.062,473 0.305,478 0.91,479 1.282,480 0.554,481 0.922,482 0.836,483 0.783,484 0.994,485 1.015,486 0.718,487 0.895,488 0.867,489 0.89,490 0.95,491 1.229,492 0.94,493 1.037,494 0.969,495 1,496 1.056,497 1.091,498 1.119,499 1.062,500 1.062,501 1.031,502 0.978,503 0.925,504 0.891,505 0.785,506 0.955,507 0.811,508 1.025,509 1.088,510 1.196,511 1.018,512 1.137,513 0.95,514 0.913,515 1.06,516 1.051,517 1.121,518 1.021,519 1.151,520 0.796,521 0.967,522 0.931,523 0.997,524 0.881,525 1.066,526 4,527 0.057,528 2,529 1.313,530 1.178,531 0.417,532 0.353,533 0.205,534 0.156,535 0.104,536 6880,537 21041,538 2.187,539 35.1,541 8,542 2,543 1,544 2,549 1.668,550 2.118,551 3.25,552 0.337,558 65.157,559 1.761,560 3.411,561 4.216,562 4.865,563 4.939,564 4.939,565 2.657,566 4.054,567 4.56,568 3.422,569 944.556,570 7.863,571 11134.4,573 1,576 192.75,577 1.099,578 4.546,579 0.148,580 0.004,581 0.054,582 0.038,583 0.038,584 0.014,585 0.012,586 0.009,587 0.009,588 0.007,589 0.331,590 0.17,591 1,592 0.382,593 114.081,594 -0.117,595 -0.184,596 0.017,597 -0.067,598 -0.164,599 0.004,600 0.077,601 0.045,602 -0.022,603 -0.013,604 0.022,605 -0.074,606 -0.052,607 -0.184,608 -0.023,609 -0.117,610 -0.06,611 -0.088,612 0.01,613 -0.08,614 -0.061,615 -0.111,616 -0.018,617 -0.098,618 0.013,619 0.121,620 0.116,621 0.15,622 0.097,623 0.128,624 -0.095,625 -0.096,626 -0.092,627 -0.038,628 -0.081,629 0.015,630 0.059,631 -0.033,632 -0.131,633 -0.193,634 -0.051,635 -0.231,636 0.079,637 -0.031,638 0.001,639 -0.004,640 0.014,641 -0.015,642 1.324,643 2.159,644 0.875,645 18.5,646 1.022,647 1.12,648 3.18,649 10.111,650 0.719,651 3.332,652 3.638,653 3.912,654 4.19,655 4.382,656 4.394,657 4.489,658 4.615,659 4.615,660 4.663,661 5.912,662 0.702,663 340.79,664 3.332,665 4.86,666 5.707,667 6.578,668 7.44,669 8.317,670 9.185,671 10.064,672 10.936,673 11.817,674 10.8,682 2,684 2,690 9,691 2,695 7,697 18,709 2,714 2,715 1,716 37,718 18,719 2,720 27,722 40,723 17,724 16,725 5,726 7,728 4,729 5,730 1,740 16,741 1,757 1,760 13,761 6,762 2,763 7,764 1,769 4,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,824 1,827 24,833 1,834 2,835 2,849 1,850 5.4,855 2,858 11.333,859 6.626,860 5.25,861 2.023,863 3.378,864 1.461,865 1.027,866 4.212,867 10.709,868 3.611,869 4.212,870 4.769,871 5.326,872 5.844,873 5.945,874 6.255,875 6.683,876 6.978,877 7.294,878 1,879 35,880 8.783,881 3.722,882 7.72,883 16.584,884 13.331,885 2.22,886 53.278,890 129.482,891 115.236,892 69.593,893 39.149,894 22,897 115.236,898 190.631,899 69.593,901 6.65,902 75.81,903 45.342,904 86.57,905 27.769,906 94.169,907 39.149,908 129.482,909 184.828,910 22,911 39.149,913 129.482,914 22,917 53.618,918 97.639,919 72.72,921 129.482,922 91.592,923 154.384,926 129.482,927 30.378,928 84.857,929 36.022,930 94.719,931 129.482,932 91.592,933 154.384,935 0.575,936 0.335,937 0.188,938 0.101,939 19,940 7,941 0.1,942 4,943 1,944 1.095,945 3.74,946 197.462,947 0.095,948 21,949 104.039,954 15.205,955 6.649,956 3.314,958 91.592,959 16.648,960 8.662,964 4.357,966 36.022,967 375.459,968 36,980 37.804,981 41.432,983 0.338,984 0.655,985 0.809,986 0.934,987 0.948,988 0.948,989 4.824,990 1.192,991 5.666,992 3.05,993 4.317,994 4.898,995 1.805,996 6.447,997 4.186,998 6.016,999 1.126,1000 7.197,1001 2.656,1002 3.761,1003 4.559,1005 7.261,1006 3.498,1007 7.307,1008 1,1009 8.828,1010 2.512,1011 5.872,1012 7.064,1013 2.17,1014 10.382,1015 5.609,1016 8.635,1017 0.659,1018 10.521,1019 2.136,1020 6.176,1021 7.544,1023 12.079,1024 5.775,1025 9.995,1026 0.274,1027 12.257,1028 1.779,1029 7.709,1030 9.496,1031 2.746,1032 14.701,1033 7.309,1034 11.378,1036 14.022,1037 0.651,1038 8.429,1039 10.382,1041 16.779,1042 7.904,1043 12.779,1044 -0.425,1045 15.81,1047 9.718,1048 12.078,1049 3.372,1050 19.235,1051 9.175,1052 3.145,1053 -0.719,1054 17.616,1055 -1.082,1056 10.647,1057 13.189,1059 21.481,1060 9.995,1061 2.745,1062 10.781,1063 19.437,1064 -1.709,1065 11.833,1066 14.751,1067 4.015,1068 23.882,1069 11.145,1070 2.472,1071 8.052,1072 21.269,1073 4.173,1074 12.865,1075 15.99,1077 26.202,1078 12.081,1079 2.297,1080 7.374,1081 23.112,1082 3.699,1083 14.011,1084 17.481,1085 4.667,1086 28.586,1087 13.177,1088 1.958,1089 6.745,1090 24.963,1091 3.406,1092 15.094,1093 18.796,1095 30.937,1096 14.175,1097 1.673,1098 5.525,1099 26.821,1100 2.943,1101 16.227,1102 20.25,1103 5.323,1104 33.315,1105 15.248,1106 1.418,1107 4.637,1108 28.686,1109 2.582,1110 17.336,1111 21.609,1113 35.681,1114 16.278,1115 6397,1116 11353,1117 18.781,1118 26.597,1119 39.985,1120 41.124,1121 40.444,1122 40.034,1123 39.916,1124 53.145,1125 5.446,1126 111.796,1127 37.224,1128 5.345,1129 5.486,1130 6.486,1131 5.161,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 6.019,1138 1.481,1139 1.523,1140 1.498,1141 1.483,1142 1.478,1143 1.968,1144 0.202,1145 4.141,1146 1.379,1147 3.996,1148 4.024,1149 4.055,1150 3.881,1151 5.088,1152 3.893,1153 3.904,1154 3.93,1155 3.866,1156 3.821,1157 4.985,1158 3.82,1159 3.761,1160 3.805,1161 3.716,1162 3.608,1163 4.743,1164 3.63,1165 3.306,1166 3.326,1167 3.495,1168 3.051,1169 4.708,1170 3.082,1171 3.117,1172 3.194,1173 3.033,1174 2.912,1175 4.138,1176 2.931,1177 2.985,1178 3.061,1179 2.923,1180 2.805,1181 4.041,1182 2.813,1183 2.854,1184 2.925,1185 2.856,1186 2.735,1187 3.982,1188 2.715,1189 2.644,1190 2.711,1191 2.687,1192 2.495,1193 3.811,1194 2.49,1195 0.166,1196 0.129,1197 0.248,1198 0.151,1199 0.116,1200 4.489,1201 0.155,1202 3.486,1203 0.052,1204 6.684,1205 0.399,1206 4.082,1207 0.109,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.9,1214 1.867,1215 2.015,1216 2.035,1217 1.067,1218 2.023,1219 1.857,1220 1.84,1221 1.914,1222 1.954,1223 1.053,1224 1.954,1225 1.692,1226 1.648,1227 1.785,1228 1.842,1229 0.776,1230 1.833,1231 1.166,1232 1.133,1233 1.435,1234 1.521,1235 0.578,1236 1.486,1237 1.039,1238 0.97,1239 1.242,1240 1.296,1241 0.28,1242 1.287,1243 0.889,1244 0.821,1245 1.181,1246 1.159,1247 0.218,1248 1.159,1249 0.886,1250 0.813,1251 1.127,1252 1.062,1253 0.178,1254 1.107,1255 0.78,1256 0.782,1257 0.877,1258 0.951,1260 0.93,1261 4.007,1263 5.313,1264 2.398,1265 6.817,1266 4.595,1267 8.412,1268 6.605,1269 10.054,1272 6.27,1277 0.176,1278 6.317,1279 10.849,1289 25.977,1290 65.157,1291 126.22,1292 155.995,1293 179.995,1294 182.75,1295 182.75,1296 26.315,1297 7.331,1298 68.3,1299 68.3,1300 23,1301 12.354,1302 4.248,1303 3.322,1304 33.892,1305 85,1306 84,1307 0.193,1308 161.423,1309 273.55,1310 385.631,1311 15826,1312 2.7,1313 16.355,1314 0.681,1315 0.552,1316 16.855,1317 13.248,1318 11.793,1319 0.437,1320 0.284,1321 7.195,1322 11.002,1323 7.059,1324 5.834,1325 12.082,1326 7.675,1327 10.447,1328 0.282,1329 0.147,1330 10.818,1331 5.445,1332 8.88,1333 0.181,1334 0.076,1335 9.238,1336 3.742,1337 7.617,1338 0.117,1339 0.039,1340 7.892,1341 2.528,1342 6.073,1343 0.077,1344 0.021,1345 6.402,1346 1.658,1347 0.302,1348 77.428,1349 0.231,1350 23.446,1351 0.531,1352 128,1353 413.63,1354 158.93,1355 425.089,1356 580.75,1357 400,1358 150,1359 414.561,1360 177.835,1361 426.609,1362 627.5,1363 401,1364 5.81}
{0 CHEMBL403614,1 2.002,2 9.929,3 3.472,4 12.057,5 103.868,6 9.997,7 0.581,8 3.909,9 3.988,10 3.845,11 3.465,12 5.109,13 3.473,14 4.403,15 4.499,16 4.148,17 3.823,18 5.922,19 3.829,20 4.565,21 4.706,22 4.195,23 3.907,24 5.845,25 3.887,26 4.591,27 4.734,28 4.172,29 3.869,30 5.952,31 3.845,32 4.611,33 4.791,34 4.115,35 3.816,36 5.914,37 3.796,38 4.497,39 4.685,40 4.005,41 3.752,42 5.861,43 3.714,44 4.363,45 4.524,46 3.905,47 3.645,48 5.643,49 3.617,50 4.306,51 4.491,52 3.635,53 3.509,54 5.572,55 3.442,56 0.225,57 0.683,58 6.545,59 3.682,60 26.293,61 3.04,62 0.671,63 1.021,64 12.09,65 6.255,66 73.388,67 5.65,68 0.659,69 1.166,70 17.235,71 7.179,72 57.072,73 6.833,74 0.801,75 1.175,76 21.235,77 7.728,78 55.728,79 7.108,80 0.869,81 1.156,82 21.61,83 7.06,84 82.1,85 6.863,86 0.753,87 1.035,88 21.288,89 6.954,90 74.854,91 7.816,92 0.574,93 0.936,94 15.168,95 5.633,96 37.03,97 5.666,98 0.607,99 0.842,100 16.855,101 6.12,102 46.623,103 6.563,104 18,105 45,106 0.345,107 0.659,108 0.799,109 0.896,110 0.904,111 0.904,112 3.375,113 0.959,114 -2.83,115 -2.84,116 -2.75,118 40.5,125 1,138 7,140 6,141 1,143 1,146 1,158 1,159 1,160 1,167 4,170 3,171 3,172 2,173 5,175 2,178 3,182 4,184 1,186 5,188 2,190 1,192 8,195 4,196 2,197 5,198 1,201 2,203 1,204 10,208 1,211 2,213 1,214 5,215 4,217 2,218 2,220 1,223 2,227 1,228 2,231 1,233 4,235 2,239 1,240 3,243 3,244 1,245 3,246 1,247 1,249 1,252 1,260 2,264 1114,265 18.626,266 18.626,267 18.626,268 18.626,269 18.626,270 16.045,271 25.034,272 10.854,273 19.261,274 15.338,275 15.338,276 15.338,277 15.338,278 15.338,279 11.416,280 39.304,281 5.161,282 16.475,283 3.39,284 1.563,285 0.754,286 0.19,287 0.143,288 0.143,289 4.069,290 1,293 1,294 1,295 604,296 3.464,299 60.117,300 249.754,303 111.461,307 1.592,308 40.107,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 62.833,320 278,321 4.843,322 4.683,323 7.248,324 4.294,325 3.377,326 4.705,327 1.392,328 12.241,329 3.067,330 4.489,331 3.486,332 6.684,333 4.082,334 3.145,335 4.173,336 0.532,337 10.781,338 2.93,339 4.09,340 2.945,341 5.754,342 3.634,343 2.71,344 3.687,345 0.4,346 8.081,347 2.505,348 3.834,349 2.838,350 5.644,351 3.371,352 2.418,353 3.379,354 0.4,355 7.459,356 2.311,357 3.617,358 2.525,359 5.429,360 3.198,361 2.284,362 2.943,364 6.923,365 2.046,366 3.318,367 2.176,368 4.928,369 2.884,370 1.959,371 2.585,373 5.678,374 1.788,375 3.049,376 2.005,377 4.616,378 2.619,379 1.674,380 2.253,382 4.641,383 1.562,384 2.864,385 1.81,386 4.102,387 2.395,388 1.418,389 2.022,391 3.372,392 1.382,393 2.674,394 1.483,395 3.629,396 2.155,397 1.198,398 1.744,400 2.827,401 1.146,402 2.645,403 1.294,404 3.601,405 2.13,406 1.149,407 1.702,409 2.662,410 1.115,411 2.236,412 1.256,413 3.482,414 2.095,415 1.125,416 1.218,417 2.513,418 1.075,419 1.788,420 1.113,421 3.417,422 1.555,423 0.659,424 0.721,425 1.779,426 0.584,427 1.522,428 0.775,429 2.963,430 1.141,431 0.274,432 0.329,433 0.652,434 0.212,435 1.379,436 0.436,437 2.897,438 1.02,439 0.084,440 0.105,441 0.222,442 0.078,443 1,444 -0.044,445 2.659,446 0.473,447 -0.418,448 -0.515,449 -1.055,450 -0.334,451 13.381,452 0.478,453 0.843,454 0.03,455 42.25,456 1.509,457 23,458 0.821,459 19.25,460 0.688,461 19.337,462 0.691,463 29.819,464 0.71,465 32.038,466 1.144,467 8.261,468 0.295,469 5.154,470 0.184,471 0.133,472 0.062,473 0.299,478 0.788,479 1.315,480 0.672,481 1.114,482 0.811,483 0.779,484 0.819,485 0.987,486 0.805,487 0.925,488 0.531,489 0.861,490 1.029,491 1.248,492 0.943,493 1.02,494 1.02,495 0.999,496 1.018,497 1.143,498 1.185,499 1.158,500 0.955,501 1.114,502 1.124,503 1.014,504 0.91,505 0.849,506 1.244,507 0.908,508 0.795,509 0.859,510 0.934,511 0.766,512 0.746,513 0.853,514 0.882,515 1.119,516 0.972,517 1.072,518 0.742,519 1.096,520 0.828,521 1.008,522 1.022,523 1.067,524 0.895,525 1.168,526 6.5,527 0.232,528 3.333,529 2.25,530 1.667,531 0.882,532 0.538,533 0.38,534 0.242,535 0.204,536 9832,537 36729,538 2.085,539 33.3,541 7,542 2,543 1,544 4,549 1.711,550 1.942,551 3.281,552 1.804,554 1,558 84.078,559 2.002,560 3.829,561 4.639,562 5.202,563 5.249,564 5.249,565 2.591,566 3.896,567 4.786,568 3.511,569 1327.29,570 8.319,571 17678.7,573 1,575 1,576 226.477,577 1.572,578 4.728,579 0.21,580 0.009,581 0.074,582 0.051,583 0.04,584 0.023,585 0.015,586 0.012,587 0.01,588 0.01,589 0.452,590 0.17,591 0.88,592 0.744,593 140.212,594 -0.083,595 -0.135,596 0.107,597 -0.082,598 -0.241,599 0.05,600 0.147,601 0.092,602 -0.054,603 0.01,604 0.309,605 -0.029,606 -0.154,607 -0.213,608 -0.059,609 -0.087,610 -0.135,611 -0.085,612 -0.05,613 -0.1,614 -0.189,615 -0.187,616 -0.028,617 -0.204,618 -0.158,619 -0.017,620 0.009,621 0.046,622 -0.187,623 0.045,624 0.09,625 0.117,626 0.043,627 0.129,628 0.106,629 0.14,630 -0.035,631 -0.079,632 -0.091,633 -0.16,634 -0.042,635 -0.167,636 0.061,637 -0.041,638 -0.114,639 -0.112,640 0.009,641 -0.152,642 4.823,643 4.742,644 0.75,645 23.071,646 1.039,647 1.125,648 1.599,649 2.556,650 0.718,651 3.466,652 3.829,653 4.078,654 4.357,655 4.533,656 4.575,657 4.654,658 4.762,659 4.787,660 4.898,661 6.462,662 0.705,663 419.88,664 3.466,665 5.03,666 5.883,667 6.781,668 7.65,669 8.548,670 9.423,671 10.32,672 11.197,673 12.093,674 11.9,678 1,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 1,716 42,718 20,719 2,720 31,722 45,723 17,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 1,744 2,747 1,749 2,757 1,760 14,761 9,762 4,763 11,764 2,769 5,775 0.75,776 4,788 1,793 1,794 3,797 1,819 3,821 1,824 1,827 28,828 1,831 1,833 1,834 2,835 2,849 1,850 9.5,853 2,855 2,858 14.417,859 7.376,860 5.944,861 2.127,863 3.781,864 1.492,865 1.027,866 5.097,867 11.472,868 3.761,869 4.425,870 4.933,871 5.497,872 5.994,873 6.168,874 6.479,875 6.835,876 7.144,877 7.525,878 1,879 44,880 10.542,881 4.839,882 8.066,883 18.952,884 15.552,885 2.566,886 71.861,889 1,890 117.711,891 113.118,892 100.884,893 39.149,894 66.313,896 5.807,897 107.31,898 223.172,899 100.884,901 6.65,902 103.433,903 89.655,904 88.12,905 27.769,906 82.398,907 39.149,908 117.711,909 208.194,910 66.313,911 44.956,913 117.711,914 66.313,917 53.618,918 121.005,919 78.527,921 117.711,922 167.197,923 152.266,925 5.807,926 117.711,927 31.929,928 75.381,929 36.022,930 170.324,931 117.711,932 167.197,933 152.266,935 0.593,936 0.338,937 0.186,938 0.098,939 23,940 10,941 0.111,942 5,943 1,944 1.095,945 3.916,946 247.865,947 0.095,948 21,949 132.606,953 1,954 18.925,955 7.541,956 4.066,958 167.197,959 12.73,960 8.437,964 2.77,966 67.313,967 437.174,968 42,971 -3.906,973 23.484,980 43.636,981 47.269,983 0.371,984 0.71,985 0.86,986 0.965,987 0.974,988 0.974,989 5.014,990 1.418,991 5.911,992 4.641,993 4.511,994 5.112,995 1.805,996 6.772,997 4.366,998 6.267,999 1.198,1000 7.506,1001 3.372,1002 4.29,1003 5.198,1005 7.941,1006 4.022,1007 7.624,1008 1.149,1009 9.214,1010 2.827,1011 6.196,1012 7.436,1013 2.17,1014 10.987,1015 5.894,1016 9.023,1017 1.125,1018 10.991,1019 2.662,1020 6.781,1021 8.316,1023 12.97,1024 6.342,1025 10.456,1026 0.659,1027 12.814,1028 2.513,1029 8.212,1030 10.095,1031 2.746,1032 15.611,1033 7.735,1034 11.914,1035 0.274,1036 14.668,1037 1.779,1038 9.142,1039 11.32,1041 17.9,1042 8.536,1043 13.391,1044 0.084,1045 16.546,1046 0.652,1047 10.407,1048 12.936,1049 3.372,1050 20.427,1051 9.746,1052 3.377,1053 -0.418,1054 18.441,1055 0.222,1056 11.486,1057 14.318,1059 22.833,1060 10.708,1061 3.145,1062 12.241,1063 20.35,1064 -1.055,1065 12.696,1066 15.874,1067 4.015,1068 25.327,1069 11.847,1070 2.71,1071 10.781,1072 22.27,1073 4.705,1074 13.839,1075 17.332,1077 27.781,1078 12.883,1079 2.418,1080 8.081,1081 24.199,1082 4.173,1083 15.033,1084 18.867,1085 4.667,1086 30.267,1087 13.995,1088 2.284,1089 7.459,1090 26.135,1091 3.687,1092 16.205,1093 20.362,1095 32.741,1096 15.066,1097 1.959,1098 6.923,1099 28.078,1100 3.379,1101 17.398,1102 21.892,1103 5.323,1104 35.229,1105 16.17,1106 1.674,1107 5.678,1108 30.025,1109 2.943,1110 18.584,1111 23.407,1113 37.712,1114 17.257,1115 9334,1116 18210,1117 20.572,1118 30.159,1119 46.761,1120 49.022,1121 47.511,1122 47.044,1123 46.951,1124 63.129,1125 5.446,1126 139.665,1127 43.604,1128 5.701,1129 6.683,1130 6.928,1131 5.377,1132 5.377,1133 7.705,1134 2.783,1135 19.757,1136 5.067,1137 13.68,1138 1.508,1139 1.581,1140 1.533,1141 1.518,1142 1.515,1143 2.036,1144 0.176,1145 4.505,1146 1.407,1147 4.077,1148 4.072,1149 4.729,1150 4.055,1151 7.726,1152 3.975,1153 3.973,1154 3.979,1155 4.053,1156 3.869,1157 6.999,1158 3.877,1159 3.795,1160 3.831,1161 3.813,1162 3.629,1163 5.087,1164 3.645,1165 3.615,1166 3.611,1167 3.659,1168 3.527,1169 4.982,1170 3.454,1171 3.306,1172 3.326,1173 3.495,1174 3.051,1175 4.827,1176 3.082,1177 3.115,1178 3.193,1179 3.033,1180 2.906,1181 4.71,1182 2.927,1183 2.983,1184 3.059,1185 2.923,1186 2.803,1187 4.668,1188 2.811,1189 2.751,1190 2.831,1191 2.854,1192 2.603,1193 4.138,1194 2.591,1195 0.156,1196 0.151,1197 0.234,1198 0.139,1199 0.109,1200 4.843,1201 0.152,1202 4.683,1203 0.045,1204 7.248,1205 0.395,1206 4.294,1207 0.099,1208 3.377,1209 4.705,1210 1.392,1211 12.241,1212 3.067,1213 1.96,1214 1.964,1215 1.99,1216 2.056,1217 1.157,1218 2.073,1219 1.863,1220 1.847,1221 1.913,1222 1.975,1223 1.056,1224 1.969,1225 1.697,1226 1.655,1227 1.784,1228 1.852,1229 0.777,1230 1.842,1231 1.447,1232 1.475,1233 1.435,1234 1.633,1235 0.578,1236 1.676,1237 1.166,1238 1.133,1239 1.282,1240 1.521,1241 0.512,1242 1.486,1243 1.033,1244 0.964,1245 1.234,1246 1.295,1247 0.271,1248 1.284,1249 0.889,1250 0.813,1251 1.129,1252 1.158,1253 0.179,1254 1.158,1255 0.78,1256 0.782,1257 1.057,1258 0.982,1259 0.017,1260 1.018,1261 4.143,1263 5.493,1264 2.398,1265 7.031,1266 4.595,1267 8.656,1268 6.605,1269 10.328,1272 6.261,1275 5.251,1277 0.102,1278 5.934,1279 10.798,1289 29.615,1290 84.078,1291 160.826,1292 194.826,1293 218.477,1294 220.477,1295 220.477,1296 49.038,1297 7.691,1298 128.46,1299 136.84,1300 23,1301 12.621,1302 4.392,1303 3.585,1304 42.433,1305 112,1306 74,1307 0.188,1308 187.34,1309 320.64,1310 448.87,1311 25168,1312 2.4,1313 19.725,1314 0.704,1315 0.564,1316 20.475,1317 15.789,1318 13.415,1319 0.433,1320 0.32,1321 7.985,1322 11.738,1323 7.712,1324 6.357,1325 14.598,1326 9.911,1327 12.96,1328 0.288,1329 0.17,1330 14.7,1331 7.65,1332 10.146,1333 0.175,1334 0.088,1335 11.251,1336 5.121,1337 8.781,1338 0.114,1339 0.046,1340 9.753,1341 3.51,1342 6.855,1343 0.075,1344 0.024,1345 7.679,1346 2.224,1347 0.295,1348 97.353,1349 0.22,1350 26.574,1351 0.516,1352 152,1353 545.274,1354 221.471,1355 568.819,1356 759.38,1357 524,1358 179,1359 512.888,1360 252.894,1361 559.878,1362 818.12,1363 522,1364 4.45}
{0 CHEMBL403672,1 1.856,2 11.267,3 4.471,4 19.992,5 109.379,6 8.997,7 0.545,8 4.032,9 4.121,10 3.749,11 3.453,12 5.253,13 3.51,14 4.535,15 4.672,16 4.11,17 3.789,18 5.754,19 3.842,20 4.57,21 4.681,22 4.215,23 3.906,24 5.803,25 3.938,26 4.701,27 4.836,28 4.223,29 3.946,30 5.917,31 3.953,32 4.819,33 4.999,34 4.162,35 3.939,36 5.972,37 3.929,38 4.723,39 4.916,40 4.009,41 3.875,42 5.861,43 3.835,44 4.697,45 4.952,46 3.93,47 3.739,48 5.76,49 3.703,50 4.483,51 4.702,52 3.745,53 3.579,54 5.6,55 3.56,56 0.241,57 0.709,58 7.042,59 3.883,60 9.248,61 4.088,62 0.857,63 1.032,64 17.951,65 6.426,66 43.108,67 6.55,68 0.708,69 1.129,70 16.353,71 6.48,72 29.934,73 7.074,74 0.87,75 1.22,76 21.415,77 7.873,78 38.934,79 8.83,80 1.184,81 1.274,82 27.679,83 7.95,84 64.788,85 9.148,86 0.896,87 1.215,88 24.841,89 7.758,90 48.858,91 9.915,92 0.879,93 1.127,94 29.089,95 7.325,96 54.213,97 10.759,98 0.787,99 0.936,100 20.583,101 5.536,102 45.89,103 7.379,104 26,105 46,106 0.314,107 0.598,108 0.717,109 0.772,110 0.796,111 0.832,112 3.44,113 0.829,114 -3.11,115 -3.11,116 -2.99,118 39.6,123 3,125 1,138 4,140 8,144 1,146 2,167 1,170 4,171 3,173 4,175 2,178 2,181 2,182 4,184 1,186 2,188 1,191 1,192 8,195 5,196 1,197 1,203 2,204 5,206 1,214 6,215 4,220 2,227 3,228 2,231 1,233 2,239 3,240 1,243 3,245 1,251 1,252 2,255 1,260 4,264 1418,265 20.712,266 20.712,267 20.712,268 20.712,269 20.712,270 18.46,271 33.891,272 12.046,273 21.787,274 16.113,275 16.113,276 16.113,277 16.113,278 16.113,279 12.499,280 55.98,281 5.437,282 17.646,283 3.729,284 2.05,285 1.35,286 1.027,287 0.886,288 0.672,289 4.137,290 1,293 1,294 1,295 730,296 3.162,299 68.001,300 280.372,303 126.132,307 1.782,308 32.835,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 67.833,320 338,321 4.489,322 3.486,323 6.684,324 4.082,325 3.145,326 4.173,327 1.392,328 10.781,329 2.928,330 4.424,331 3.375,332 6.524,333 4.01,334 3.067,335 4.108,336 0.86,337 10.263,338 2.885,339 4.069,340 2.944,341 5.716,342 3.606,343 2.7,344 3.665,345 0.86,346 8.009,347 2.444,348 3.651,349 2.828,350 5.59,351 3.289,352 2.375,353 2.967,354 0.86,355 7.331,356 2.164,357 3.551,358 2.555,359 5.274,360 3.131,361 2.218,362 2.879,363 0.532,364 6.652,365 1.991,366 3.355,367 2.497,368 5.19,369 2.972,370 2.061,371 2.604,372 0.4,373 6.118,374 1.867,375 3.24,376 2.152,377 4.842,378 2.79,379 1.875,380 2.497,381 0.4,382 5.466,383 1.689,384 3.038,385 2.016,386 4.613,387 2.598,388 1.661,389 2.238,391 4.635,392 1.543,393 2.668,394 1.881,395 3.782,396 2.123,397 1.217,398 1.745,400 2.703,401 1.094,402 2.236,403 1.799,404 3.617,405 2.088,406 1.133,407 1.218,409 2.517,410 1.068,411 2.196,412 1.298,413 3.482,414 1.957,415 1.123,416 1.182,417 2.361,418 0.93,419 1.788,420 1.116,421 3.417,422 1.553,423 0.659,424 0.721,425 1.779,426 0.583,427 1.576,428 1.012,429 2.958,430 1.27,431 0.396,432 0.452,433 0.652,434 0.342,435 1.522,436 0.916,437 2.875,438 1.191,439 0.349,440 0.373,441 0.603,442 0.292,443 1.445,444 0.775,445 2.859,446 1.137,447 0.273,448 0.328,449 0.479,450 0.211,451 13.881,452 0.463,453 0.636,454 0.021,455 43.25,456 1.442,457 21.5,458 0.717,459 21.75,460 0.725,461 22.2,462 0.74,463 32.919,464 0.686,465 33.518,466 1.117,467 8.968,468 0.299,469 5.654,470 0.188,471 0.16,473 0.36,478 0.966,479 1.569,480 0.582,481 1.191,482 0.857,483 0.925,484 1.298,485 0.649,486 0.709,487 0.578,488 1.071,489 0.575,490 0.938,491 1.367,492 0.895,493 1.114,494 0.899,495 0.986,496 0.91,497 1.255,498 1.04,499 1.251,500 0.895,501 1.166,502 1.234,503 1.022,504 1.013,505 0.885,506 1.185,507 0.978,508 0.841,509 1.208,510 1.041,511 1.073,512 0.935,513 1.126,514 0.617,515 0.92,516 0.699,517 0.794,518 0.671,519 0.763,520 0.851,521 0.848,522 0.873,523 0.744,524 0.987,525 0.839,526 6,527 0.184,528 3.111,529 2.375,530 1.951,531 0.938,532 0.516,533 0.368,534 0.283,535 0.172,536 11954,537 40729,538 2.087,539 37.5,541 13,542 2,543 1,544 2,549 1.728,550 1.957,551 3.45,552 0.342,554 1,558 89.09,559 1.856,560 3.535,561 4.235,562 4.558,563 4.699,564 4.913,565 2.856,566 4.415,567 4.884,568 3.66,569 1592.05,570 8.514,571 22382.1,573 1,575 1,576 268.078,577 1.4,578 4.839,579 0.182,580 0.007,581 0.068,582 0.048,583 0.042,584 0.022,585 0.014,586 0.011,587 0.009,588 0.007,589 0.409,590 0.33,591 0.88,592 0.883,593 154.511,594 -0.14,595 -0.377,596 0.034,597 -0.216,598 -0.135,599 -0.062,600 -0.128,601 0.405,602 0.096,603 0.357,604 -0.046,605 0.299,606 -0.001,607 -0.233,608 -0.041,609 -0.136,610 -0.019,611 -0.109,612 0.059,613 -0.185,614 -0.103,615 -0.268,616 0.036,617 -0.253,618 -0.165,619 -0.025,620 -0.07,621 0.047,622 -0.141,623 -0.048,624 0.014,625 -0.185,626 -0.098,627 -0.123,628 -0.021,629 -0.155,630 0.157,631 0.035,632 0.289,633 0.134,634 0.242,635 0.285,636 0.044,637 0.176,638 0.027,639 0.15,640 -0.012,641 0.119,642 1.397,643 2.187,644 0.7,645 27.484,646 1.034,647 1.133,648 1.88,649 3.535,650 0.677,651 3.526,652 3.85,653 4.159,654 4.443,655 4.625,656 4.673,657 4.762,658 4.868,659 4.89,660 4.97,661 6.98,662 0.671,663 431.87,664 3.526,665 5.069,666 5.932,667 6.819,668 7.696,669 8.585,670 9.466,671 10.356,672 11.237,673 12.128,674 10.4,682 2,684 3,688 1,690 5,691 3,695 10,697 18,709 2,714 5,715 1,716 48,718 18,719 2,720 33,722 51,723 19,724 15,725 8,726 4,728 4,729 5,730 1,740 15,741 4,757 1,760 18,761 10,762 2,763 11,764 1,769 5,775 0.75,776 5,793 1,794 3,797 1,819 3,823 3,824 1,827 30,833 1,834 2,835 5,849 1,850 10.4,855 5,858 15.333,859 9.743,860 6.806,861 2.418,863 3.512,864 1.448,865 0.969,866 6.287,867 11.351,868 3.761,869 4.376,870 4.965,871 5.53,872 6.038,873 6.228,874 6.511,875 6.893,876 7.209,877 7.565,878 1,879 49,880 10.966,881 4.554,882 7.826,883 20.382,884 15.81,885 2.326,886 69.778,889 1,890 188.338,891 124.852,892 86.378,893 39.149,894 54.999,897 124.852,898 282.486,899 86.378,900 32.649,901 6.65,902 37.905,903 62.128,904 134.871,905 27.34,906 153.024,907 39.149,908 188.338,909 211.231,910 54.999,911 39.149,913 188.338,914 54.999,917 55.089,918 105.785,919 89.505,921 188.338,922 141.378,923 164.001,926 188.338,927 45.68,928 79.173,929 36.022,930 144.505,931 188.338,932 141.378,933 164.001,935 0.573,936 0.357,937 0.205,938 0.107,939 22,940 10,941 0.137,942 7,943 1,944 1.095,945 4.093,946 269.419,947 0.095,948 21,949 139.207,954 20.741,955 9.094,956 4.345,958 141.378,959 8.285,960 12.661,964 4.721,966 36.022,967 493.716,968 42,980 49.654,981 54.389,983 0.332,984 0.633,985 0.758,986 0.816,987 0.841,988 0.88,989 5.001,990 1.661,991 5.916,992 5.466,993 4.533,994 5.063,995 2.353,996 6.744,997 4.36,998 6.208,999 1.217,1000 7.484,1001 4.635,1002 4.111,1003 4.913,1005 7.67,1006 3.849,1007 7.525,1008 1.133,1009 9.149,1010 2.703,1011 6.142,1012 7.276,1013 2.488,1014 10.774,1015 5.829,1016 8.878,1017 1.123,1018 10.872,1019 2.517,1020 6.553,1021 7.919,1023 12.521,1024 6.145,1025 10.262,1026 0.659,1027 12.633,1028 2.361,1029 8.029,1030 9.765,1031 2.891,1032 15.14,1033 7.583,1034 11.667,1035 0.396,1036 14.419,1037 1.779,1038 8.823,1039 10.778,1041 17.235,1042 8.289,1043 13.088,1044 0.349,1045 16.224,1046 0.652,1047 10.083,1048 12.405,1049 3.432,1050 19.689,1051 9.507,1052 3.145,1053 0.273,1054 18.044,1055 0.603,1056 11.058,1057 13.607,1059 21.933,1060 10.401,1061 3.067,1062 10.781,1063 19.876,1064 0.479,1065 12.232,1066 15.13,1067 4.039,1068 24.328,1069 11.527,1070 2.7,1071 10.263,1072 21.717,1073 4.173,1074 13.291,1075 16.432,1077 26.637,1078 12.51,1079 2.375,1080 8.009,1081 23.566,1082 4.108,1083 14.433,1084 17.902,1085 4.676,1086 29.01,1087 13.598,1088 2.218,1089 7.331,1090 25.422,1091 3.665,1092 15.53,1093 19.257,1095 31.348,1096 14.624,1097 2.061,1098 6.652,1099 27.283,1100 2.967,1101 16.662,1102 20.701,1103 5.327,1104 33.714,1105 15.697,1106 1.875,1107 6.118,1108 29.149,1109 2.879,1110 17.777,1111 22.084,1113 36.065,1114 16.743,1115 11419,1116 21267,1117 22.076,1118 32.489,1119 48.314,1120 50.61,1121 51.208,1122 48.506,1123 48.507,1124 62.303,1125 10.606,1126 140.695,1127 44.065,1128 5.346,1129 5.486,1130 6.235,1131 5.182,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.928,1137 14.671,1138 1.464,1139 1.534,1140 1.552,1141 1.47,1142 1.47,1143 1.888,1144 0.321,1145 4.263,1146 1.335,1147 3.998,1148 4.023,1149 4.055,1150 3.875,1151 5.139,1152 3.89,1153 3.929,1154 3.937,1155 3.916,1156 3.823,1157 5.022,1158 3.837,1159 3.744,1160 3.796,1161 3.728,1162 3.496,1163 4.96,1164 3.549,1165 3.311,1166 3.355,1167 3.495,1168 3.051,1169 4.709,1170 3.083,1171 3.303,1172 3.348,1173 3.158,1174 3.009,1175 4.58,1176 3.032,1177 3.272,1178 3.318,1179 3.144,1180 3.006,1181 4.468,1182 3.026,1183 3.199,1184 3.279,1185 2.981,1186 2.895,1187 4.306,1188 2.895,1189 3.042,1190 3.123,1191 2.933,1192 2.832,1193 4.113,1194 2.846,1195 0.136,1196 0.106,1197 0.203,1198 0.124,1199 0.095,1200 4.489,1201 0.126,1202 3.486,1203 0.042,1204 6.684,1205 0.327,1206 4.082,1207 0.089,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.928,1213 1.88,1214 1.864,1215 1.949,1216 2.036,1217 1.067,1218 2.006,1219 1.849,1220 1.837,1221 1.898,1222 1.962,1223 1.05,1224 1.946,1225 1.606,1226 1.545,1227 1.674,1228 1.839,1229 0.588,1230 1.804,1231 1.227,1232 1.163,1233 1.59,1234 1.558,1235 0.584,1236 1.565,1237 1.208,1238 1.147,1239 1.571,1240 1.528,1241 0.578,1242 1.535,1243 1.166,1244 1.122,1245 1.535,1246 1.516,1247 0.567,1248 1.5,1249 1.152,1250 1.068,1251 1.434,1252 1.472,1253 0.513,1254 1.48,1255 0.926,1256 0.846,1257 1.144,1258 1.218,1259 0.194,1260 1.206,1261 4.205,1263 5.525,1264 2.398,1265 7.05,1266 4.595,1267 8.672,1268 6.605,1269 10.343,1271 4.622,1272 6.298,1277 0.121,1278 6.145,1279 26.925,1289 32.196,1290 89.09,1291 169.686,1292 203.284,1293 218.794,1294 225.549,1295 235.814,1296 41.799,1297 7.839,1298 108.88,1299 108.88,1300 23,1301 12.658,1302 4.248,1303 3.322,1304 47.098,1305 128,1306 108,1307 0.18,1308 199.39,1309 345.52,1310 478.272,1311 29728,1312 2.1,1313 21.087,1314 0.703,1315 0.57,1316 21.587,1317 17.111,1318 14.622,1319 0.443,1320 0.276,1321 8.495,1322 13.314,1323 8.238,1324 6.866,1325 14.911,1326 9.116,1327 12.69,1328 0.276,1329 0.138,1330 13.06,1331 6.36,1332 11.158,1333 0.177,1334 0.072,1335 11.517,1336 4.533,1337 9.679,1338 0.115,1339 0.037,1340 9.954,1341 3.072,1342 7.621,1343 0.075,1344 0.02,1345 7.951,1346 1.997,1347 0.284,1348 98.203,1349 0.213,1350 28.29,1351 0.487,1352 158,1353 600.482,1354 199.453,1355 581.458,1356 785.62,1357 548,1358 188,1359 554.662,1360 227.024,1361 566.59,1362 832.2,1363 525,1364 5.529}
{0 CHEMBL403673,1 1.803,2 12.379,3 4.687,4 21.965,5 110.076,6 8.528,7 0.581,8 4.019,9 4.12,10 3.688,11 3.448,12 5.236,13 3.482,14 4.502,15 4.662,16 4.017,17 3.76,18 5.686,19 3.787,20 4.561,21 4.684,22 4.163,23 3.895,24 5.789,25 3.911,26 4.695,27 4.854,28 4.135,29 3.948,30 5.874,31 3.921,32 4.825,33 5.024,34 3.947,35 3.947,36 5.897,37 3.894,38 4.708,39 4.917,40 3.92,41 3.84,42 5.812,43 3.783,44 4.673,45 4.943,46 3.83,47 3.722,48 5.684,49 3.658,50 4.483,51 4.718,52 3.786,53 3.573,54 5.606,55 3.55,56 0.166,57 0.71,58 8.262,59 3.959,60 8.481,61 4.644,62 0.661,63 1.01,64 18.982,65 6.419,66 38.635,67 7.308,68 0.638,69 1.128,70 18.739,71 6.556,72 31.11,73 7.725,74 0.672,75 1.223,76 22.453,77 8.1,78 34.616,79 10.147,80 0.967,81 1.274,82 32.895,83 8.645,84 59.808,85 10.847,86 0.764,87 1.201,88 24.521,89 7.437,90 47.468,91 10.284,92 0.692,93 1.102,94 27.264,95 7.27,96 46.006,97 11.036,98 0.69,99 0.913,100 22.893,101 5.462,102 45.29,103 7.929,104 42,105 42,106 0.305,107 0.581,108 0.658,109 0.719,110 0.747,111 0.823,112 3.408,113 0.854,114 -3.44,115 -3.41,116 -3.26,118 38.8,123 4,138 5,140 7,144 1,146 2,167 1,170 3,171 3,173 4,175 4,178 3,181 2,182 5,186 1,188 2,191 1,192 10,195 4,196 1,197 1,199 1,204 2,206 2,214 4,215 6,220 4,227 4,228 1,233 1,239 2,240 1,243 2,245 1,247 4,251 2,255 2,260 2,264 1378,265 19.875,266 19.875,267 19.875,268 19.875,269 19.875,270 17.651,271 33.804,272 11.6,273 20.994,274 15.052,275 15.052,276 15.052,277 15.052,278 15.052,279 11.497,280 57.731,281 5.153,282 16.55,283 3.811,284 2.182,285 1.727,286 1.368,287 1.204,288 0.756,289 4.09,290 1,293 1,294 1,295 749,296 3.24,300 308.046,307 1.952,308 28.053,311 1,312 0.83,313 1,314 0.8,316 1,317 1,318 0.8,319 64.833,320 359,321 4.425,322 3.375,323 6.524,324 4.01,325 3.067,326 4.109,327 0.86,328 10.263,329 2.886,330 4.255,331 3.265,332 6.067,333 3.811,334 2.886,335 3.903,336 0.86,337 8.76,338 2.653,339 4.073,340 2.894,341 5.704,342 3.607,343 2.705,344 3.667,345 0.86,346 8.036,347 2.434,348 3.648,349 2.63,350 5.422,351 3.293,352 2.369,353 2.962,354 0.86,355 7.17,356 2.176,357 3.469,358 2.555,359 5.19,360 3.046,361 2.103,362 2.798,363 0.4,364 6.245,365 1.968,366 3.355,367 2.277,368 5.113,369 2.972,370 2.061,371 2.604,372 0.4,373 6.118,374 1.867,375 3.161,376 2.151,377 4.75,378 2.696,379 1.773,380 2.406,382 5.221,383 1.631,384 2.847,385 1.987,386 4.162,387 2.358,388 1.475,389 1.978,391 3.707,392 1.236,393 2.665,394 1.829,395 3.778,396 2.1,397 1.205,398 1.742,400 2.651,401 1.079,402 2.196,403 1.228,404 3.494,405 1.957,406 1.129,407 1.182,409 2.36,410 0.93,411 1.858,412 1.078,413 3.08,414 1.545,415 0.676,416 0.774,417 1.238,418 0.574,419 1.576,420 1.012,421 2.894,422 1.27,423 0.396,424 0.452,425 0.603,426 0.342,427 1.445,428 0.916,429 2.859,430 1.191,431 0.349,432 0.373,433 0.48,434 0.292,435 1.26,436 0.393,437 2.742,438 0.908,443 1.214,444 0.305,445 2.488,446 0.906,451 13.548,452 0.467,453 0.601,454 0.021,455 41.25,456 1.422,457 21,458 0.724,459 20.25,460 0.698,461 21.241,462 0.732,463 32.052,464 0.654,465 32.072,466 1.106,467 8.673,468 0.299,469 5.398,470 0.186,471 0.2,473 0.332,478 0.948,479 1.588,480 0.619,481 1.2,482 0.843,483 0.969,484 1.332,485 0.665,486 0.711,487 0.591,488 1.051,489 0.599,490 1.001,491 1.359,492 0.927,493 1.112,494 0.938,495 0.994,496 0.835,497 1.265,498 0.939,499 1.226,500 0.787,501 1.168,502 1.4,503 1.013,504 1.365,505 0.991,506 1.481,507 1.062,508 0.832,509 1.229,510 0.86,511 1.076,512 0.838,513 1.129,514 0.603,515 0.928,516 0.61,517 0.712,518 0.605,519 0.723,520 0.822,521 0.829,522 0.819,523 0.74,524 0.903,525 0.736,526 6.5,527 0.173,528 2.667,529 2.438,530 1.64,531 0.944,532 0.524,533 0.415,534 0.275,535 0.234,536 10657,537 36130,538 2.013,539 40.8,541 17,543 1,544 2,549 1.718,550 1.871,551 3.576,552 0.33,558 88.362,559 1.803,560 3.433,561 3.888,562 4.247,563 4.41,564 4.859,565 3.052,566 4.349,567 4.831,568 3.749,569 1521.92,570 8.403,571 21140.9,573 1,576 275.121,577 1.453,578 4.78,579 0.21,580 0.008,581 0.063,582 0.053,583 0.038,584 0.026,585 0.015,586 0.013,587 0.009,588 0.009,589 0.445,590 0.33,591 1,592 0.999,593 148.986,594 -0.112,595 -0.371,596 0.033,597 -0.204,598 -0.112,599 -0.066,600 -0.141,601 0.398,602 0.12,603 0.349,604 -0.017,605 0.298,606 0.021,607 -0.211,608 -0.038,609 -0.124,610 -0.008,611 -0.099,612 0.095,613 -0.188,614 -0.049,615 -0.238,616 0.104,617 -0.224,618 -0.299,619 -0.034,620 -0.308,621 -0.027,622 -0.381,623 -0.116,624 0.042,625 -0.199,626 -0.042,627 -0.151,628 0.039,629 -0.176,630 0.152,631 0.028,632 0.292,633 0.196,634 0.257,635 0.287,636 0.109,637 0.181,638 0.164,639 0.163,640 0.139,641 0.214,642 1.337,643 2.041,644 0.621,645 28.916,646 1.025,647 1.135,648 2.205,649 4.862,650 0.669,651 3.466,652 3.761,653 4.025,654 4.263,655 4.431,656 4.454,657 4.511,658 4.615,659 4.644,660 4.745,661 7.208,662 0.653,663 417.89,664 3.466,665 4.99,666 5.832,667 6.701,668 7.554,669 8.427,670 9.283,671 10.157,672 11.015,673 11.888,674 10.2,682 2,684 3,688 1,690 6,691 3,695 9,697 18,709 2,714 4,715 1,716 49,718 18,719 2,720 31,722 51,723 19,724 15,725 7,726 5,728 3,729 3,730 1,740 15,741 4,757 1,760 20,761 9,762 2,763 10,764 1,769 5,775 1,776 4,794 3,819 3,823 4,824 1,827 29,834 2,835 4,849 1,850 8.2,855 4,858 15.5,859 10.16,860 6.75,861 2.418,863 3.336,864 1.451,865 0.945,866 7.193,867 10.724,868 3.714,869 4.311,870 4.873,871 5.419,872 5.923,873 6.076,874 6.338,875 6.738,876 7.074,877 7.459,878 1,879 46,880 10.571,881 4.247,882 7.814,883 19.671,884 14.797,885 2.314,886 67.111,888 1,889 1,890 211.88,891 133.318,892 86.378,893 39.149,894 44,897 133.318,898 295.028,899 86.378,900 43.532,902 47.381,903 62.128,904 118.627,905 3.798,906 200.109,907 39.149,908 211.88,909 219.696,910 44,911 39.149,913 211.88,914 44,917 48.438,918 120.901,919 89.505,921 211.88,922 130.378,923 172.467,926 211.88,927 33.786,928 99.532,929 36.022,930 133.505,931 211.88,932 130.378,933 172.467,935 0.566,936 0.35,937 0.195,938 0.099,939 18,940 9,941 0.157,942 8,944 1,945 3.998,946 243.819,948 18,949 130.127,954 21.234,955 9.824,956 5.118,958 130.378,959 10.169,960 12.626,964 4.608,966 36.022,967 514.724,968 40,980 50.211,981 55.595,983 0.321,984 0.611,985 0.692,986 0.756,987 0.785,988 0.865,989 4.931,990 1.475,991 5.808,992 5.221,993 4.443,994 4.997,995 2.022,996 6.6,997 4.265,998 6.135,999 1.205,1000 7.357,1001 3.707,1002 4.007,1003 4.808,1005 7.455,1006 3.741,1007 7.441,1008 1.129,1009 8.999,1010 2.651,1011 6.023,1012 7.193,1013 1.701,1014 10.512,1015 5.704,1016 8.783,1017 0.676,1018 10.695,1019 2.36,1020 6.382,1021 7.766,1023 12.147,1024 5.96,1025 10.151,1026 0.396,1027 12.424,1028 1.238,1029 7.856,1030 9.64,1031 1.448,1032 14.72,1033 7.399,1034 11.538,1035 0.349,1036 14.176,1037 0.603,1038 8.59,1039 10.579,1041 16.707,1042 8.03,1043 12.939,1045 15.945,1046 0.48,1047 9.839,1048 12.225,1049 1.223,1050 19.107,1051 9.244,1052 3.067,1054 17.728,1056 10.758,1057 13.361,1059 21.262,1060 10.069,1061 2.886,1062 10.263,1063 19.521,1065 11.912,1066 14.89,1067 1.019,1068 23.6,1069 11.182,1070 2.705,1071 8.76,1072 21.323,1073 4.109,1074 12.92,1075 16.136,1077 25.836,1078 12.107,1079 2.369,1080 8.036,1081 23.133,1082 3.903,1083 14.036,1084 17.601,1085 0.837,1086 28.154,1087 13.175,1088 2.103,1089 7.17,1090 24.95,1091 3.667,1092 15.088,1093 18.909,1095 30.431,1096 14.154,1097 2.061,1098 6.245,1099 26.774,1100 2.962,1101 16.19,1102 20.341,1103 0.677,1104 32.745,1105 15.204,1106 1.773,1107 6.118,1108 28.602,1109 2.798,1110 17.265,1111 21.685,1113 35.042,1114 16.212,1115 10543,1116 19573,1117 20.285,1118 32.796,1119 44.398,1120 46.115,1121 47.685,1122 44.438,1123 44.391,1124 57.9,1125 8.48,1126 125.704,1127 40.137,1128 5.224,1129 5.375,1130 6.076,1131 5.11,1132 5.067,1133 7.109,1134 1.72,1135 17.184,1136 4.886,1137 16.306,1138 1.432,1139 1.488,1140 1.538,1141 1.433,1142 1.432,1143 1.868,1144 0.274,1145 4.055,1146 1.295,1147 3.98,1148 4.014,1149 4.026,1150 3.864,1151 5.127,1152 3.875,1153 3.907,1154 3.922,1155 3.916,1156 3.819,1157 4.978,1158 3.827,1159 3.737,1160 3.788,1161 3.738,1162 3.496,1163 4.96,1164 3.548,1165 3.303,1166 3.355,1167 3.334,1168 3.021,1169 4.58,1170 3.048,1171 3.293,1172 3.354,1173 3.157,1174 3.006,1175 4.495,1176 3.026,1177 3.252,1178 3.318,1179 3.144,1180 2.978,1181 4.469,1182 2.994,1183 3.197,1184 3.278,1185 3.09,1186 2.894,1187 4.37,1188 2.892,1189 2.975,1190 3.067,1191 2.971,1192 2.803,1193 4.275,1194 2.777,1195 0.143,1196 0.109,1197 0.21,1198 0.129,1199 0.099,1200 4.425,1201 0.133,1202 3.375,1203 0.028,1204 6.524,1205 0.331,1206 4.01,1207 0.093,1208 3.067,1209 4.109,1210 0.86,1211 10.263,1212 2.886,1213 1.888,1214 1.868,1215 1.959,1216 2.041,1217 1.068,1218 2.013,1219 1.867,1220 1.853,1221 1.941,1222 1.982,1223 1.06,1224 1.972,1225 1.609,1226 1.548,1227 1.676,1228 1.854,1229 0.589,1230 1.813,1231 1.227,1232 1.163,1233 1.59,1234 1.558,1235 0.584,1236 1.565,1237 1.216,1238 1.15,1239 1.573,1240 1.533,1241 0.576,1242 1.542,1243 1.192,1244 1.119,1245 1.565,1246 1.511,1247 0.566,1248 1.528,1249 1.156,1250 1.068,1251 1.532,1252 1.469,1253 0.508,1254 1.491,1255 0.912,1256 0.83,1257 1.143,1258 1.192,1259 0.191,1260 1.183,1261 4.143,1263 5.442,1265 6.948,1267 8.547,1269 10.191,1271 6.197,1272 6.152,1278 6.171,1279 21.189,1289 32.008,1290 88.362,1291 168.227,1292 190.492,1293 208.101,1294 216.101,1295 238.101,1296 43.725,1297 7.388,1298 99.65,1299 99.65,1300 18,1301 12.432,1302 4.248,1303 3.322,1304 52.614,1305 126,1306 131,1307 0.203,1308 202.787,1309 349.09,1310 486.561,1311 16411,1312 2,1313 20.803,1314 0.717,1315 0.589,1316 21.303,1317 17.073,1318 14.071,1319 0.454,1320 0.285,1321 8.224,1322 12.854,1323 7.902,1324 6.66,1325 14.359,1326 8.82,1327 11.941,1328 0.284,1329 0.144,1330 12.312,1331 6.053,1332 10.208,1333 0.186,1334 0.076,1335 10.562,1336 4.196,1337 8.649,1338 0.124,1339 0.04,1340 9.017,1341 2.83,1342 6.541,1343 0.079,1344 0.021,1345 6.696,1346 1.713,1347 0.324,1348 94.194,1349 0.222,1350 27.75,1351 0.543,1352 146,1353 542.747,1354 183.025,1355 533.979,1356 716.31,1357 502,1358 170,1359 498.298,1360 204.197,1361 514.591,1362 745.11,1363 475,1364 4.796}
{0 CHEMBL404178,1 1.946,2 9.929,3 4.17,4 17.39,5 104.281,6 9.742,7 0.581,8 3.918,9 3.993,10 3.836,11 3.505,12 5.085,13 3.494,14 4.43,15 4.532,16 4.142,17 3.858,18 5.843,19 3.852,20 4.597,21 4.738,22 4.195,23 3.936,24 5.868,25 3.91,26 4.603,27 4.744,28 4.167,29 3.907,30 5.922,31 3.872,32 4.641,33 4.823,34 4.113,35 3.865,36 5.898,37 3.829,38 4.541,39 4.736,40 4.001,41 3.793,42 5.84,43 3.742,44 4.397,45 4.566,46 3.903,47 3.681,48 5.641,49 3.642,50 4.325,51 4.507,52 3.63,53 3.554,54 5.544,55 3.474,56 0.186,57 0.664,58 6.776,59 4.073,60 18.284,61 3.586,62 0.606,63 1.035,64 15.082,65 6.944,66 54.317,67 6.428,68 0.654,69 1.184,70 18.93,71 7.559,72 60.909,73 7.233,74 0.739,75 1.186,76 22.07,77 8.107,78 49.591,79 7.738,80 0.811,81 1.198,82 22.945,83 7.703,84 71.594,85 7.899,86 0.711,87 1.074,88 23.242,89 7.591,90 69.125,91 8.831,92 0.565,93 0.972,94 16.826,95 5.919,96 36.667,97 6.138,98 0.554,99 0.861,100 17.295,101 6.449,102 41.111,103 7.064,104 18,105 45,106 0.334,107 0.654,108 0.793,109 0.887,110 0.895,111 0.895,112 3.375,113 1.009,114 -3.8,115 -3.76,116 -3.57,118 41.9,123 1,125 1,138 7,140 6,141 1,143 1,146 1,167 4,170 3,171 3,173 3,175 2,178 3,182 4,184 1,186 4,188 2,192 8,195 4,196 1,197 3,203 1,204 10,211 2,214 5,215 4,220 1,223 2,227 1,228 2,231 1,233 4,235 2,239 1,240 3,243 3,245 2,247 1,252 1,260 2,264 1114,265 18.626,266 18.626,267 18.626,268 18.626,269 18.626,270 16.045,271 25.275,272 10.854,273 19.349,274 15.338,275 15.338,276 15.338,277 15.338,278 15.338,279 11.416,280 40.412,281 5.161,282 16.642,283 3.481,284 1.611,285 0.8,286 0.25,287 0.204,288 0.204,289 4.069,290 1,293 1,294 1,295 604,296 3.464,299 60.117,300 249.754,303 111.461,307 1.592,308 38.946,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 62.333,320 278,321 4.843,322 5.19,323 7.248,324 4.253,325 3.377,326 4.705,327 2.95,328 12.241,329 2.943,330 4.489,331 3.486,332 6.684,333 4.082,334 3.145,335 4.173,336 1.392,337 10.781,338 2.928,339 4.09,340 2.985,341 5.754,342 3.629,343 2.71,344 3.687,345 0.532,346 8.081,347 2.482,348 3.834,349 2.92,350 5.644,351 3.356,352 2.418,353 3.379,354 0.4,355 7.459,356 2.252,357 3.617,358 2.701,359 5.429,360 3.195,361 2.284,362 2.943,363 0.4,364 6.923,365 2.041,366 3.318,367 2.322,368 4.928,369 2.882,370 1.959,371 2.585,373 5.678,374 1.785,375 3.049,376 2.062,377 4.616,378 2.619,379 1.674,380 2.253,382 4.641,383 1.562,384 2.864,385 1.863,386 4.102,387 2.395,388 1.418,389 2.022,391 3.372,392 1.382,393 2.674,394 1.796,395 3.629,396 2.149,397 1.198,398 1.744,400 2.827,401 1.134,402 2.645,403 1.475,404 3.601,405 2.127,406 1.149,407 1.702,409 2.662,410 1.113,411 2.236,412 1.27,413 3.482,414 2.095,415 1.125,416 1.218,417 2.513,418 1.075,419 1.788,420 1.113,421 3.417,422 1.555,423 0.659,424 0.721,425 1.779,426 0.584,427 1.522,428 0.775,429 2.963,430 1.141,431 0.274,432 0.329,433 0.652,434 0.212,435 1.379,436 0.741,437 2.897,438 1.018,439 0.084,440 0.105,441 0.222,442 0.078,443 1,444 0.183,445 2.659,446 0.472,447 -0.418,448 -0.515,449 -1.055,450 -0.334,451 13.481,452 0.481,453 0.843,454 0.03,455 42.25,456 1.509,457 23,458 0.821,459 19.25,460 0.688,461 19.595,462 0.7,463 29.719,464 0.691,465 31.78,466 1.135,467 8.22,468 0.294,469 5.195,470 0.186,471 0.14,472 0.062,473 0.297,478 0.732,479 1.319,480 0.674,481 1.111,482 0.708,483 0.828,484 0.881,485 1.017,486 0.876,487 0.994,488 0.635,489 0.853,490 1.122,491 1.198,492 0.96,493 0.975,494 1.234,495 0.972,496 1.005,497 1.172,498 1.175,499 1.162,500 0.944,501 1.115,502 1.067,503 1.018,504 0.892,505 0.872,506 1.186,507 0.935,508 0.78,509 0.962,510 0.898,511 0.782,512 0.728,513 0.851,514 0.895,515 1.034,516 0.967,517 1.002,518 0.752,519 1.038,520 0.813,521 1.078,522 1.014,523 1.09,524 0.877,525 1.18,526 6.5,527 0.232,528 3.333,529 2.25,530 1.667,531 0.882,532 0.538,533 0.38,534 0.242,535 0.204,536 9832,537 35195,538 2.085,539 34.9,541 10,542 2,543 1,544 2,549 1.711,550 1.942,551 3.281,552 0.353,554 1,558 83.667,559 1.946,560 3.816,561 4.626,562 5.176,563 5.223,564 5.223,565 2.591,566 3.896,567 4.786,568 3.511,569 1327.29,570 8.319,571 17678.7,573 1,575 1,576 233.329,577 1.572,578 4.728,579 0.21,580 0.009,581 0.074,582 0.051,583 0.04,584 0.023,585 0.015,586 0.012,587 0.01,588 0.01,589 0.452,590 0.33,591 1,592 0.744,593 140.212,594 -0.04,595 -0.168,596 0.112,597 -0.081,598 -0.178,599 0.016,600 0.087,601 0.059,602 -0.056,603 -0.014,604 0.204,605 0.009,606 -0.182,607 -0.155,608 -0.077,609 -0.053,610 -0.189,611 -0.076,612 -0.032,613 -0.12,614 -0.185,615 -0.195,616 -0.016,617 -0.211,618 -0.11,619 -0.009,620 0.015,621 0.023,622 -0.145,623 0.016,624 0.089,625 0.017,626 0.073,627 0.115,628 0.112,629 0.15,630 -0.038,631 0.033,632 -0.087,633 -0.103,634 -0.047,635 -0.119,636 0.061,637 -0.101,638 -0.124,639 -0.139,640 0.013,641 -0.18,642 4.323,643 4.964,644 0.75,645 23.071,646 1.033,647 1.121,648 2.57,649 6.606,650 0.719,651 3.466,652 3.829,653 4.078,654 4.357,655 4.533,656 4.575,657 4.654,658 4.762,659 4.787,660 4.898,661 6.462,662 0.7,663 418.89,664 3.466,665 5.03,666 5.883,667 6.781,668 7.65,669 8.548,670 9.423,671 10.32,672 11.197,673 12.093,674 9.3,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 1,716 43,718 20,719 2,720 31,722 46,723 18,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 2,744 2,747 1,749 2,757 1,760 15,761 8,762 2,763 10,764 2,769 4,775 0.75,776 4,788 1,793 1,794 3,797 1,819 3,821 1,823 1,824 1,827 28,830 1,833 1,834 2,835 2,849 1,850 9.3,853 2,855 2,858 14.417,859 8.043,860 5.944,861 2.238,863 3.781,864 1.492,865 1.016,866 5.122,867 11.472,868 3.761,869 4.425,870 4.933,871 5.497,872 5.994,873 6.168,874 6.479,875 6.835,876 7.144,877 7.525,878 1,879 44,880 10.487,881 4.736,882 7.995,883 19.159,884 15.768,885 2.495,886 69.861,889 1,890 153.024,891 120.546,892 69.593,893 39.149,894 66.313,896 6.046,897 114.5,898 258.486,899 69.593,900 7.19,901 6.65,902 72.38,903 89.655,904 88.12,905 27.769,906 117.711,907 39.149,908 153.024,909 184.093,910 66.313,911 45.195,913 153.024,914 66.313,917 53.618,918 96.904,919 78.766,921 153.024,922 135.905,923 159.695,925 6.046,926 153.024,927 31.929,928 82.572,929 36.022,930 139.032,931 153.024,932 135.905,933 159.695,935 0.593,936 0.338,937 0.186,938 0.098,939 23,940 10,941 0.109,942 5,943 1,944 1.095,945 3.916,946 247.865,947 0.095,948 21,949 132.606,953 1,954 18.962,955 7.564,956 4.081,958 135.905,959 13.152,960 8.518,964 3.271,966 36.022,967 448.625,968 42,971 -3.406,973 23.929,980 44.418,981 48.186,983 0.359,984 0.703,985 0.853,986 0.954,987 0.962,988 0.962,989 5.014,990 1.418,991 5.911,992 4.641,993 4.511,994 5.112,995 3.156,996 6.772,997 4.346,998 6.267,999 1.198,1000 7.506,1001 3.372,1002 4.29,1003 5.198,1005 7.941,1006 3.942,1007 7.624,1008 1.149,1009 9.214,1010 2.827,1011 6.196,1012 7.436,1013 5.077,1014 10.987,1015 5.84,1016 9.023,1017 1.125,1018 10.991,1019 2.662,1020 6.781,1021 8.316,1023 12.97,1024 6.223,1025 10.456,1026 0.659,1027 12.814,1028 2.513,1029 8.212,1030 10.095,1031 7.196,1032 15.611,1033 7.633,1034 11.914,1035 0.274,1036 14.668,1037 1.779,1038 9.142,1039 11.32,1041 17.9,1042 8.377,1043 13.391,1044 0.084,1045 16.546,1046 0.652,1047 10.407,1048 12.936,1049 9.35,1050 20.427,1051 9.589,1052 3.377,1053 -0.418,1054 18.441,1055 0.222,1056 11.486,1057 14.318,1059 22.833,1060 10.505,1061 3.145,1062 12.241,1063 20.35,1064 -1.055,1065 12.696,1066 15.874,1067 11.512,1068 25.327,1069 11.632,1070 2.71,1071 10.781,1072 22.27,1073 4.705,1074 13.839,1075 17.332,1077 27.781,1078 12.63,1079 2.418,1080 8.081,1081 24.199,1082 4.173,1083 15.033,1084 18.867,1085 13.675,1086 30.267,1087 13.723,1088 2.284,1089 7.459,1090 26.135,1091 3.687,1092 16.205,1093 20.362,1095 32.741,1096 14.76,1097 1.959,1098 6.923,1099 28.078,1100 3.379,1101 17.398,1102 21.892,1103 15.838,1104 35.229,1105 15.84,1106 1.674,1107 5.678,1108 30.025,1109 2.943,1110 18.584,1111 23.407,1113 37.712,1114 16.896,1115 9334,1116 17826,1117 20.572,1118 30.915,1119 46.761,1120 50.111,1121 47.511,1122 47.156,1123 46.951,1124 63.129,1125 11.346,1126 139.665,1127 43.143,1128 5.701,1129 7.19,1130 6.928,1131 5.336,1132 5.377,1133 7.705,1134 5.9,1135 19.757,1136 4.943,1137 13.68,1138 1.508,1139 1.616,1140 1.533,1141 1.521,1142 1.515,1143 2.036,1144 0.366,1145 4.505,1146 1.392,1147 4.09,1148 4.078,1149 4.736,1150 4.094,1151 7.716,1152 3.997,1153 3.974,1154 3.981,1155 4.053,1156 3.87,1157 6.999,1158 3.878,1159 3.798,1160 3.834,1161 3.813,1162 3.641,1163 5.086,1164 3.649,1165 3.637,1166 3.636,1167 3.66,1168 3.563,1169 4.982,1170 3.507,1171 3.306,1172 3.326,1173 3.495,1174 3.051,1175 4.712,1176 3.082,1177 3.115,1178 3.193,1179 3.033,1180 2.907,1181 4.687,1182 2.927,1183 2.983,1184 3.059,1185 2.923,1186 2.803,1187 4.138,1188 2.811,1189 2.789,1190 2.875,1191 2.854,1192 2.64,1193 4.041,1194 2.62,1195 0.156,1196 0.167,1197 0.234,1198 0.137,1199 0.109,1200 4.843,1201 0.152,1202 5.19,1203 0.095,1204 7.248,1205 0.395,1206 4.253,1207 0.095,1208 3.377,1209 4.705,1210 2.95,1211 12.241,1212 2.943,1213 1.978,1214 1.989,1215 1.995,1216 2.059,1217 1.221,1218 2.085,1219 1.864,1220 1.848,1221 1.913,1222 1.977,1223 1.057,1224 1.972,1225 1.7,1226 1.66,1227 1.784,1228 1.853,1229 0.827,1230 1.846,1231 1.543,1232 1.55,1233 1.587,1234 1.673,1235 0.772,1236 1.732,1237 1.166,1238 1.133,1239 1.435,1240 1.521,1241 0.578,1242 1.486,1243 1.035,1244 0.965,1245 1.238,1246 1.295,1247 0.277,1248 1.285,1249 0.889,1250 0.813,1251 1.129,1252 1.158,1253 0.205,1254 1.158,1255 0.816,1256 0.782,1257 1.094,1258 1.034,1259 0.178,1260 1.083,1261 4.143,1263 5.493,1264 2.398,1265 7.031,1266 4.595,1267 8.656,1268 6.605,1269 10.328,1271 1.145,1272 6.275,1277 0.114,1278 6.039,1279 10.824,1289 30.12,1290 83.667,1291 164.068,1292 198.923,1293 222.574,1294 224.574,1295 224.574,1296 50.081,1297 7.691,1298 102.44,1299 110.82,1300 23,1301 12.621,1302 4.392,1303 3.585,1304 42.433,1305 112,1306 74,1307 0.188,1308 190.138,1309 326.94,1310 455.698,1311 25168,1312 2.3,1313 19.725,1314 0.704,1315 0.579,1316 20.475,1317 16.212,1318 13.415,1319 0.433,1320 0.336,1321 8.197,1322 11.756,1323 7.821,1324 6.46,1325 14.598,1326 10.429,1327 12.96,1328 0.288,1329 0.185,1330 14.7,1331 8.331,1332 10.146,1333 0.175,1334 0.093,1335 11.251,1336 5.4,1337 8.781,1338 0.114,1339 0.049,1340 9.753,1341 3.736,1342 6.855,1343 0.075,1344 0.026,1345 7.679,1346 2.35,1347 0.295,1348 97.103,1349 0.22,1350 26.574,1351 0.516,1352 152,1353 535.962,1354 219.89,1355 558.072,1356 745.86,1357 516,1358 179,1359 503.285,1360 250.782,1361 547.248,1362 798.3,1363 510,1364 4.387}
{0 CHEMBL404444,1 1.73,2 9.72,3 5.13,4 26.32,5 95.567,6 8.87,7 0.643,8 3.835,9 3.934,10 3.553,11 3.384,12 5.002,13 3.396,14 4.324,15 4.456,16 3.933,17 3.745,18 5.515,19 3.742,20 4.464,21 4.63,22 3.955,23 3.816,24 5.586,25 3.779,26 4.496,27 4.692,28 3.889,29 3.741,30 5.584,31 3.689,32 4.418,33 4.623,34 3.86,35 3.679,36 5.542,37 3.635,38 4.334,39 4.533,40 3.749,41 3.636,42 5.437,43 3.587,44 4.262,45 4.449,46 3.643,47 3.53,48 5.41,49 3.488,50 4.159,51 4.369,52 3.35,53 3.405,54 5.155,55 3.312,56 0.088,57 0.596,58 5.903,59 3.214,60 6.225,61 3.583,62 0.386,63 0.93,64 12.392,65 5.542,66 21.78,67 6.221,68 0.337,69 1.054,70 16.621,71 6.214,72 22.938,73 7.413,74 0.486,75 1.037,76 21.411,77 6.966,78 31.644,79 8.472,80 0.493,81 0.976,82 18.697,83 5.716,84 34.216,85 6.893,86 0.321,87 0.876,88 19.271,89 6.149,90 26.396,91 7.729,92 0.439,93 0.841,94 15.085,95 4.641,96 30.904,97 5.481,98 0.3,99 0.726,100 14.137,101 5.237,102 20.54,103 6.728,104 5,105 39,106 0.304,107 0.639,108 0.8,109 0.904,110 0.904,111 0.904,112 3.267,113 0.866,114 -4.64,115 -4.56,116 -4.29,118 45,119 1,125 1,138 7,139 1,140 5,141 1,143 1,146 1,167 6,170 2,171 3,173 3,175 3,178 7,182 2,184 1,186 4,188 4,192 6,195 2,196 1,197 4,199 1,203 1,204 8,211 2,214 1,215 6,220 2,223 3,227 1,228 2,231 1,233 4,235 2,239 1,240 1,243 1,245 3,247 2,252 2,260 4,264 882,265 17.102,266 17.102,267 17.102,268 17.102,269 17.102,270 14.797,271 26.165,272 10.141,273 17.595,274 13.865,275 13.865,276 13.865,277 13.865,278 13.865,279 10.445,280 44.629,281 4.86,282 14.756,283 3.592,284 1.682,285 0.76,286 0.169,287 0.169,288 0.169,289 3.967,290 1,293 1,294 1,295 537,296 2.449,299 52.834,300 219.818,303 98.203,307 1.616,308 20.453,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 54.333,320 243,321 4.489,322 3.486,323 6.684,324 4.082,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.135,331 2.957,332 5.735,333 3.718,334 2.772,335 3.737,336 0.532,337 8.116,338 2.644,339 3.968,340 2.891,341 5.624,342 3.522,343 2.564,344 3.572,345 0.4,346 7.489,347 2.434,348 3.625,349 2.664,350 5.398,351 3.234,352 2.327,353 2.947,354 0.4,355 6.975,356 2.095,357 3.403,358 2.356,359 4.979,360 3.023,361 2.083,362 2.678,364 5.895,365 1.936,366 3.168,367 2.09,368 4.649,369 2.743,370 1.796,371 2.407,373 4.961,374 1.676,375 3.033,376 1.914,377 4.593,378 2.6,379 1.653,380 2.233,382 4.621,383 1.55,384 2.685,385 1.8,386 3.622,387 2.195,388 1.224,389 1.769,391 2.697,392 1.189,393 2.64,394 1.311,395 3.491,396 2.132,397 1.164,398 1.706,400 2.576,401 1.115,402 2.236,403 1.203,404 3.473,405 2.095,406 1.125,407 1.218,409 2.511,410 1.075,411 1.788,412 1.113,413 3.417,414 1.555,415 0.659,416 0.721,417 1.779,418 0.584,419 1.522,420 0.775,421 2.956,422 1.141,423 0.274,424 0.329,425 0.651,426 0.212,427 1.294,428 0.154,429 2.864,430 0.94,435 0.928,436 -0.049,437 2.53,438 0.584,439 -0.406,440 -0.509,441 -0.921,442 -0.337,443 0.866,444 -0.133,445 2.189,446 0.457,447 -0.434,448 -0.53,449 -1.117,450 -0.414,451 11.981,452 0.479,453 0.571,454 0.023,455 37.25,456 1.49,457 20,458 0.8,459 17.25,460 0.69,461 16.719,462 0.669,463 25.819,464 0.645,465 25.099,466 1.004,467 7.451,468 0.298,469 4.735,470 0.189,471 0.101,473 0.334,478 0.897,479 1.294,480 0.574,481 0.947,482 0.845,483 0.816,484 0.958,485 0.97,486 0.679,487 0.841,488 0.798,489 0.825,490 0.938,491 1.283,492 0.965,493 1.106,494 0.99,495 1.07,496 0.953,497 1.107,498 1.034,499 1.057,500 0.951,501 1.015,502 1.002,503 0.93,504 0.918,505 0.808,506 1.001,507 0.856,508 0.924,509 1.122,510 1.063,511 0.983,512 0.979,513 0.884,514 1.066,515 0.957,516 1.077,517 0.976,518 1.225,519 1.045,520 0.755,521 1.099,522 0.936,523 1.102,524 0.835,525 1.147,526 5,527 0.106,528 2.222,529 1.625,530 1.289,531 0.528,532 0.394,533 0.259,534 0.176,535 0.104,536 7615,537 22382,538 2.154,539 37.5,540 3,541 7,542 2,543 1,544 2,549 1.679,550 2.055,551 3.274,552 0.312,558 69.215,559 1.73,560 3.64,561 4.562,562 5.153,563 5.153,564 5.153,565 2.649,566 4.404,567 4.62,568 3.465,569 1039.53,570 7.981,571 12698,576 212.877,577 1.26,578 4.592,579 0.179,580 0.006,581 0.057,582 0.044,583 0.039,584 0.017,585 0.013,586 0.01,587 0.009,588 0.006,589 0.379,590 0.17,591 1,592 0.477,593 120.74,594 -0.099,595 -0.178,596 0.022,597 -0.066,598 -0.16,599 0.004,600 0.112,601 0.092,602 0.049,603 0.064,604 0.104,605 0.029,606 -0.049,607 -0.22,608 -0.075,609 -0.187,610 -0.1,611 -0.173,612 0.066,613 -0.114,614 0.007,615 -0.094,616 0.062,617 -0.054,618 -0.007,619 0.131,620 0.07,621 0.115,622 0.035,623 0.072,624 -0.014,625 -0.147,626 0.037,627 0.01,628 0.066,629 0.11,630 -0.033,631 0.134,632 -0.166,633 -0.082,634 -0.172,635 -0.163,636 0.084,637 -0.146,638 -0.057,639 -0.128,640 0.012,641 -0.139,642 1.325,643 2.177,644 0.84,645 20.029,646 1.017,647 1.121,648 3.412,649 11.642,650 0.709,651 3.367,652 3.689,653 3.951,654 4.234,655 4.419,656 4.454,657 4.522,658 4.663,659 4.663,660 4.736,661 6.117,662 0.688,663 354.82,664 3.367,665 4.905,666 5.753,667 6.629,668 7.491,669 8.371,670 9.238,671 10.12,672 10.99,673 11.874,674 10,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 1,716 40,718 18,719 2,720 28,722 43,723 18,724 16,725 6,726 6,728 4,729 5,730 1,732 1,740 16,741 2,760 15,761 6,762 2,763 7,764 1,769 4,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,823 1,824 1,827 25,833 1,834 2,835 2,849 1,850 5,855 2,858 12.167,859 7.543,860 5.417,861 2.218,863 3.419,864 1.46,865 1.019,866 4.444,867 10.852,868 3.638,869 4.256,870 4.806,871 5.369,872 5.879,873 6.014,874 6.284,875 6.726,876 7.024,877 7.363,878 1,879 37,880 9.16,881 3.871,882 7.698,883 17.359,884 13.974,885 2.198,886 54.944,889 1,890 153.024,891 117.77,892 69.593,893 39.149,894 22,897 117.77,898 214.173,899 69.593,900 8.825,901 6.65,902 66.334,903 45.342,904 89.755,905 27.769,906 117.711,907 39.149,908 153.024,909 187.363,910 22,911 39.149,913 153.024,914 22,917 62.443,918 91.348,919 72.72,921 153.024,922 91.592,923 156.919,926 153.024,927 33.564,928 84.206,929 36.022,930 94.719,931 153.024,932 91.592,933 156.919,935 0.581,936 0.335,937 0.187,938 0.099,939 20,940 8,941 0.093,942 4,943 1,944 1.095,945 3.791,946 209.112,947 0.095,948 21,949 114.096,954 16.148,955 6.881,956 3.537,958 91.592,959 14.951,960 8.721,964 5.536,966 36.022,967 401.535,968 37,980 40.687,981 44.847,983 0.325,984 0.684,985 0.857,986 0.968,987 0.968,988 0.968,989 4.864,990 1.224,991 5.727,992 4.621,993 4.369,994 4.942,995 1.805,996 6.515,997 4.245,998 6.068,999 1.164,1000 7.265,1001 2.697,1002 3.892,1003 4.691,1005 7.334,1006 3.664,1007 7.369,1008 1.125,1009 8.899,1010 2.576,1011 5.938,1012 7.123,1013 2.17,1014 10.442,1015 5.693,1016 8.704,1017 0.659,1018 10.592,1019 2.511,1020 6.275,1021 7.654,1023 12.12,1024 5.919,1025 10.068,1026 0.274,1027 12.324,1028 1.779,1029 7.776,1030 9.564,1031 2.746,1032 14.739,1033 7.407,1034 11.453,1036 14.084,1037 0.651,1038 8.509,1039 10.48,1041 16.803,1042 8.034,1043 12.855,1044 -0.406,1045 15.866,1047 9.781,1048 12.15,1049 3.372,1050 19.258,1051 9.28,1052 3.145,1053 -0.434,1054 17.666,1055 -0.921,1056 10.712,1057 13.277,1059 21.496,1060 10.114,1061 2.772,1062 10.781,1063 19.48,1064 -1.117,1065 11.889,1066 14.824,1067 4.015,1068 23.895,1069 11.25,1070 2.564,1071 8.116,1072 21.307,1073 4.173,1074 12.919,1075 16.071,1077 26.211,1078 12.192,1079 2.327,1080 7.489,1081 23.145,1082 3.737,1083 14.059,1084 17.551,1085 4.667,1086 28.593,1087 13.278,1088 2.083,1089 6.975,1090 24.991,1091 3.572,1092 15.139,1093 18.868,1095 30.942,1096 14.276,1097 1.796,1098 5.895,1099 26.846,1100 2.947,1101 16.268,1102 20.314,1103 5.323,1104 33.319,1105 15.343,1106 1.653,1107 4.961,1108 28.707,1109 2.678,1110 17.374,1111 21.672,1113 35.684,1114 16.369,1115 7125,1116 12407,1117 19.186,1118 28.358,1119 41.669,1120 42.88,1121 42.537,1122 41.63,1123 41.572,1124 54.978,1125 5.446,1126 118.104,1127 38.88,1128 5.346,1129 5.486,1130 6.243,1131 5.161,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 9.06,1138 1.488,1139 1.531,1140 1.519,1141 1.487,1142 1.485,1143 1.963,1144 0.195,1145 4.218,1146 1.389,1147 4,1148 4.03,1149 4.056,1150 3.89,1151 5.088,1152 3.899,1153 3.921,1154 3.944,1155 3.885,1156 3.843,1157 4.984,1158 3.844,1159 3.771,1160 3.815,1161 3.731,1162 3.612,1163 4.733,1164 3.636,1165 3.307,1166 3.331,1167 3.495,1168 3.056,1169 4.707,1170 3.083,1171 3.214,1172 3.293,1173 3.083,1174 3.046,1175 4.141,1176 3.04,1177 3.067,1178 3.148,1179 2.937,1180 2.875,1181 4.041,1182 2.884,1183 2.973,1184 3.05,1185 2.913,1186 2.8,1187 4.007,1188 2.804,1189 2.665,1190 2.741,1191 2.83,1192 2.508,1193 3.855,1194 2.509,1195 0.16,1196 0.124,1197 0.239,1198 0.146,1199 0.112,1200 4.489,1201 0.149,1202 3.486,1203 0.05,1204 6.684,1205 0.385,1206 4.082,1207 0.105,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.921,1214 1.89,1215 2.039,1216 2.043,1217 1.133,1218 2.036,1219 1.861,1220 1.845,1221 1.915,1222 1.966,1223 1.056,1224 1.962,1225 1.696,1226 1.651,1227 1.788,1228 1.849,1229 0.781,1230 1.838,1231 1.224,1232 1.15,1233 1.546,1234 1.522,1235 0.608,1236 1.49,1237 1.164,1238 1.128,1239 1.435,1240 1.44,1241 0.578,1242 1.475,1243 1.009,1244 0.939,1245 1.232,1246 1.26,1247 0.267,1248 1.26,1249 0.889,1250 0.813,1251 1.128,1252 1.154,1253 0.178,1254 1.157,1255 0.78,1256 0.782,1257 0.964,1258 0.951,1259 0.022,1260 0.93,1261 4.043,1263 5.361,1264 2.398,1265 6.87,1266 4.595,1267 8.469,1268 6.605,1269 10.114,1271 2.032,1272 6.288,1277 0.175,1278 6.369,1279 10.873,1289 27.504,1290 69.215,1291 145.616,1292 182.471,1293 206.122,1294 206.122,1295 206.122,1296 28.787,1297 7.433,1298 68.3,1299 68.3,1300 23,1301 12.41,1302 4.248,1303 3.322,1304 35.968,1305 92,1306 83,1307 0.19,1308 171.015,1309 290.85,1310 409.037,1311 18037,1312 2.5,1313 17.225,1314 0.689,1315 0.567,1316 17.725,1317 14.171,1318 12.187,1319 0.435,1320 0.289,1321 7.606,1322 11.396,1323 7.395,1324 6.142,1325 12.475,1326 8.086,1327 11.081,1328 0.284,1329 0.153,1330 11.452,1331 5.948,1332 9.2,1333 0.18,1334 0.078,1335 9.559,1336 3.986,1337 7.968,1338 0.117,1339 0.04,1340 8.243,1341 2.729,1342 6.209,1343 0.076,1344 0.021,1345 6.539,1346 1.749,1347 0.298,1348 79.791,1349 0.228,1350 24.278,1351 0.519,1352 134,1353 421.63,1354 164.93,1355 434.01,1356 593.32,1357 408,1358 157,1359 424.561,1360 184.835,1361 438.463,1362 643.91,1363 411,1364 6.337}
{0 CHEMBL404445,1 1.73,2 10.36,3 5.13,4 26.32,5 95.567,6 8.87,7 0.643,8 3.835,9 3.934,10 3.553,11 3.384,12 5.002,13 3.396,14 4.324,15 4.456,16 3.933,17 3.745,18 5.514,19 3.742,20 4.464,21 4.63,22 3.955,23 3.816,24 5.59,25 3.779,26 4.496,27 4.692,28 3.869,29 3.738,30 5.582,31 3.68,32 4.409,33 4.625,34 3.854,35 3.654,36 5.52,37 3.61,38 4.268,39 4.448,40 3.721,41 3.604,42 5.403,43 3.565,44 4.247,45 4.432,46 3.642,47 3.52,48 5.378,49 3.471,50 4.172,51 4.399,52 3.344,53 3.376,54 5.181,55 3.297,56 0.088,57 0.596,58 5.903,59 3.214,60 6.225,61 3.583,62 0.386,63 0.93,64 12.392,65 5.542,66 21.751,67 6.221,68 0.337,69 1.054,70 16.621,71 6.214,72 22.883,73 7.413,74 0.49,75 1.034,76 21.322,77 6.957,78 32.251,79 8.433,80 0.48,81 0.95,82 19.591,83 5.989,84 34.525,85 7.465,86 0.326,87 0.839,88 17.004,89 5.282,90 25.001,91 6.274,92 0.38,93 0.81,94 15.072,95 5.101,96 26.31,97 6.294,98 0.368,99 0.747,100 15.113,101 4.834,102 26.089,103 6.132,104 5,105 39,106 0.304,107 0.639,108 0.783,109 0.869,110 0.869,111 0.869,112 3.267,113 0.866,114 -4.64,115 -4.56,116 -4.29,118 45,119 1,125 1,138 7,139 1,140 5,141 1,143 1,146 1,167 6,170 2,171 3,173 3,175 3,178 7,182 2,184 1,186 4,188 5,192 6,195 2,196 1,197 3,203 1,204 8,208 1,211 2,214 1,215 4,220 2,223 3,227 1,228 4,231 1,233 4,235 2,239 1,240 1,243 1,245 2,247 1,252 2,257 1,260 5,264 893,265 17.102,266 17.102,267 17.102,268 17.102,269 17.102,270 14.797,271 26.165,272 10.108,273 17.595,274 13.848,275 13.848,276 13.848,277 13.848,278 13.848,279 10.439,280 42.712,281 4.845,282 14.741,283 3.592,284 1.682,285 0.86,286 0.369,287 0.369,288 0.369,289 3.967,290 1,293 1,294 1,295 573,296 2.449,299 53.247,300 221.459,303 99.003,307 1.706,308 20.377,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 54.333,320 259,321 4.489,322 3.486,323 6.684,324 4.082,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.122,331 2.952,332 5.725,333 3.699,334 2.759,335 3.723,336 0.532,337 8.064,338 2.616,339 3.953,340 2.877,341 5.607,342 3.51,343 2.546,344 3.555,345 0.4,346 7.405,347 2.433,348 3.628,349 2.648,350 5.346,351 3.243,352 2.331,353 2.949,354 0.4,355 6.86,356 2.127,357 3.46,358 2.399,359 4.997,360 3.081,361 2.133,362 2.758,364 5.96,365 1.983,366 3.217,367 2.115,368 4.745,369 2.783,370 1.848,371 2.471,373 5.244,374 1.703,375 3.036,376 1.948,377 4.61,378 2.604,379 1.658,380 2.237,382 4.631,383 1.552,384 2.667,385 1.804,386 3.622,387 2.148,388 1.206,389 1.744,391 2.682,392 1.127,393 2.5,394 1.299,395 3.485,396 2.097,397 1.126,398 1.5,400 2.514,401 1.075,402 2.236,403 1.115,404 3.417,405 2,406 1,407 1.218,409 2.275,410 1,411 1.788,412 1,413 3.414,414 1.555,415 0.659,416 0.721,417 1.78,418 0.584,419 1.522,420 0.775,421 2.964,422 1.152,423 0.275,424 0.329,425 0.655,426 0.214,427 1.46,428 0.427,429 2.881,430 1.137,431 0.194,432 0.236,433 0.469,434 0.183,435 0.956,436 -0.048,437 2.53,438 0.563,439 -0.379,440 -0.478,441 -0.898,442 -0.324,443 0.82,444 -0.19,445 2.189,446 0.426,447 -0.472,448 -0.569,449 -1.253,450 -0.416,451 11.981,452 0.479,453 0.571,454 0.023,455 37.25,456 1.49,457 20,458 0.8,459 17.25,460 0.69,461 16.616,462 0.665,463 25.819,464 0.645,465 25.059,466 1.002,467 7.451,468 0.298,469 4.735,470 0.189,471 0.101,473 0.334,478 0.897,479 1.294,480 0.574,481 0.947,482 0.845,483 0.816,484 0.958,485 0.97,486 0.679,487 0.841,488 0.801,489 0.825,490 0.938,491 1.283,492 0.965,493 1.106,494 0.972,495 1.07,496 0.967,497 1.092,498 1.066,499 1.076,500 1.015,501 1.051,502 0.903,503 0.937,504 0.82,505 0.775,506 0.858,507 0.777,508 1.128,509 1.072,510 1.226,511 0.979,512 1.225,513 0.93,514 0.85,515 1.148,516 0.969,517 1.118,518 0.902,519 1.1,520 0.962,521 0.863,522 0.969,523 0.856,524 1.105,525 0.965,526 5,527 0.073,528 2.444,529 1.375,530 1.369,531 0.472,532 0.434,533 0.26,534 0.217,535 0.131,536 7699,537 22534,538 2.154,539 37.5,540 3,541 7,542 2,543 1,544 2,549 1.678,550 2.055,551 3.333,552 0.312,558 69.215,559 1.73,560 3.64,561 4.462,562 4.953,563 4.953,564 4.953,565 2.759,566 4.244,567 4.618,568 3.513,569 1053.75,570 7.975,571 12832.6,576 212.877,577 1.26,578 4.592,579 0.179,580 0.004,581 0.063,582 0.037,583 0.043,584 0.015,585 0.014,586 0.01,587 0.011,588 0.007,589 0.383,590 0.17,591 1,592 0.477,593 120.995,594 -0.099,595 -0.178,596 0.022,597 -0.066,598 -0.16,599 0.004,600 0.112,601 0.092,602 0.049,603 0.064,604 0.102,605 0.029,606 -0.049,607 -0.22,608 -0.075,609 -0.187,610 -0.081,611 -0.173,612 0.052,613 -0.098,614 -0.026,615 -0.114,616 -0.001,617 -0.091,618 0.074,619 0.084,620 0.197,621 0.174,622 0.189,623 0.191,624 -0.145,625 -0.033,626 -0.132,627 -0.022,628 -0.15,629 -0.003,630 0.116,631 -0.126,632 -0.047,633 -0.183,634 0.066,635 -0.168,636 -0.033,637 0.145,638 -0.066,639 0.084,640 -0.141,641 0.015,642 1.325,643 2.174,644 0.84,645 20.451,646 1.017,647 1.121,648 3.412,649 11.642,650 0.709,651 3.367,652 3.689,653 3.951,654 4.22,655 4.431,656 4.443,657 4.533,658 4.654,659 4.673,660 4.718,661 6.208,662 0.688,663 354.82,664 3.367,665 4.905,666 5.753,667 6.627,668 7.489,669 8.367,670 9.236,671 10.114,672 10.987,673 11.867,674 10,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 1,716 40,718 18,719 2,720 28,722 43,723 18,724 16,725 6,726 6,728 4,729 5,730 1,732 1,740 16,741 2,760 15,761 6,762 2,763 7,764 1,769 4,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,823 1,824 1,827 25,833 1,834 2,835 2,849 1,850 5,855 2,858 12.167,859 7.543,860 5.417,861 2.218,863 3.408,864 1.459,865 1.019,866 4.444,867 10.842,868 3.638,869 4.256,870 4.806,871 5.358,872 5.891,873 6.001,874 6.294,875 6.72,876 7.033,877 7.349,878 0.857,879 37,880 9.159,881 3.871,882 7.698,883 17.359,884 13.974,885 2.198,886 54.944,889 1,890 153.024,891 117.77,892 69.593,893 39.149,894 22,897 117.77,898 214.173,899 69.593,900 8.825,901 6.65,902 66.334,903 45.342,904 89.755,905 27.769,906 117.711,907 39.149,908 153.024,909 187.363,910 22,911 39.149,913 153.024,914 22,917 62.443,918 91.348,919 72.72,921 153.024,922 91.592,923 156.919,926 153.024,927 33.564,928 84.206,929 36.022,930 94.719,931 153.024,932 91.592,933 156.919,935 0.582,936 0.336,937 0.183,938 0.101,939 20,940 8,941 0.093,942 4,943 1,944 1.095,945 3.804,946 208.452,947 0.095,948 21,949 112.096,954 16.148,955 6.881,956 3.537,958 91.592,959 14.954,960 8.706,964 5.561,966 36.022,967 401.535,968 37,980 40.687,981 44.847,983 0.325,984 0.684,985 0.838,986 0.931,987 0.931,988 0.931,989 4.864,990 1.206,991 5.727,992 4.631,993 4.369,994 4.942,995 1.805,996 6.512,997 4.245,998 6.068,999 1.126,1000 7.265,1001 2.682,1002 3.892,1003 4.691,1005 7.334,1006 3.664,1007 7.369,1008 1,1009 8.899,1010 2.514,1011 5.938,1012 7.123,1013 2.17,1014 10.431,1015 5.693,1016 8.704,1017 0.659,1018 10.591,1019 2.275,1020 6.275,1021 7.654,1023 12.113,1024 5.919,1025 10.068,1026 0.275,1027 12.321,1028 1.78,1029 7.774,1030 9.562,1031 2.746,1032 14.727,1033 7.403,1034 11.452,1035 0.194,1036 14.08,1037 0.655,1038 8.503,1039 10.474,1041 16.794,1042 8.026,1043 12.853,1044 -0.379,1045 15.861,1046 0.469,1047 9.774,1048 12.144,1049 3.372,1050 19.247,1051 9.27,1052 3.145,1053 -0.472,1054 17.66,1055 -0.898,1056 10.703,1057 13.267,1059 21.488,1060 10.099,1061 2.759,1062 10.781,1063 19.473,1064 -1.253,1065 11.879,1066 14.814,1067 4.015,1068 23.888,1069 11.234,1070 2.546,1071 8.064,1072 21.3,1073 4.173,1074 12.908,1075 16.058,1077 26.205,1078 12.172,1079 2.331,1080 7.405,1081 23.137,1082 3.723,1083 14.048,1084 17.539,1085 4.667,1086 28.588,1087 13.258,1088 2.133,1089 6.86,1090 24.984,1091 3.555,1092 15.127,1093 18.854,1095 30.938,1096 14.253,1097 1.848,1098 5.96,1099 26.838,1100 2.949,1101 16.257,1102 20.301,1103 5.323,1104 33.317,1105 15.32,1106 1.658,1107 5.244,1108 28.7,1109 2.758,1110 17.362,1111 21.658,1113 35.682,1114 16.346,1115 7203,1116 12519,1117 19.186,1118 28.358,1119 41.801,1120 42.928,1121 42.562,1122 41.854,1123 41.76,1124 55.225,1125 5.446,1126 118.638,1127 39.057,1128 5.345,1129 5.486,1130 6.235,1131 5.161,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 9.18,1138 1.493,1139 1.533,1140 1.52,1141 1.495,1142 1.491,1143 1.972,1144 0.195,1145 4.237,1146 1.395,1147 4,1148 4.03,1149 4.056,1150 3.89,1151 5.088,1152 3.899,1153 3.921,1154 3.943,1155 3.884,1156 3.843,1157 4.984,1158 3.844,1159 3.772,1160 3.816,1161 3.732,1162 3.613,1163 4.733,1164 3.637,1165 3.308,1166 3.339,1167 3.495,1168 3.077,1169 4.707,1170 3.087,1171 3.238,1172 3.306,1173 3.114,1174 3.048,1175 4.143,1176 3.065,1177 3.032,1178 3.112,1179 2.932,1180 2.83,1181 4.042,1182 2.845,1183 2.859,1184 2.953,1185 2.901,1186 2.735,1187 4.024,1188 2.715,1189 2.854,1190 2.925,1191 2.687,1192 2.647,1193 3.821,1194 2.652,1195 0.16,1196 0.124,1197 0.239,1198 0.146,1199 0.112,1200 4.489,1201 0.149,1202 3.486,1203 0.05,1204 6.684,1205 0.385,1206 4.082,1207 0.105,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.921,1214 1.89,1215 2.04,1216 2.043,1217 1.132,1218 2.036,1219 1.861,1220 1.845,1221 1.915,1222 1.966,1223 1.056,1224 1.962,1225 1.697,1226 1.652,1227 1.789,1228 1.85,1229 0.782,1230 1.839,1231 1.238,1232 1.165,1233 1.54,1234 1.523,1235 0.611,1236 1.495,1237 1.162,1238 1.127,1239 1.435,1240 1.452,1241 0.578,1242 1.476,1243 0.917,1244 0.837,1245 1.181,1246 1.209,1247 0.218,1248 1.202,1249 0.886,1250 0.821,1251 1.146,1252 1.097,1253 0.187,1254 1.11,1255 0.823,1256 0.782,1257 1.093,1258 1.062,1259 0.12,1260 1.107,1261 4.043,1263 5.361,1264 2.398,1265 6.87,1266 4.595,1267 8.467,1268 6.605,1269 10.111,1271 2.04,1272 6.285,1277 0.175,1278 6.353,1279 10.87,1289 27.504,1290 69.215,1291 145.616,1292 178.471,1293 198.122,1294 198.122,1295 198.122,1296 28.768,1297 7.433,1298 68.3,1299 68.3,1300 23,1301 12.404,1302 4.248,1303 3.322,1304 36.002,1305 93,1306 100,1307 0.187,1308 171.015,1309 290.85,1310 409.037,1311 18037,1312 2.5,1313 17.225,1314 0.689,1315 0.567,1316 17.725,1317 14.171,1318 12.187,1319 0.435,1320 0.289,1321 7.606,1322 11.396,1323 7.396,1324 6.141,1325 12.475,1326 8.086,1327 11.069,1328 0.284,1329 0.152,1330 11.44,1331 5.945,1332 9.291,1333 0.182,1334 0.079,1335 9.649,1336 4.02,1337 7.759,1338 0.116,1339 0.039,1340 8.034,1341 2.643,1342 6.364,1343 0.077,1344 0.022,1345 6.693,1346 1.798,1347 0.295,1348 79.791,1349 0.228,1350 24.344,1351 0.51,1352 134,1353 421.63,1354 164.93,1355 433.945,1356 593.3,1357 408,1358 157,1359 424.561,1360 184.835,1361 438.329,1362 643.68,1363 411,1364 5.796}
{0 CHEMBL407817,1 1.712,2 9.5,3 2.064,4 4.261,5 93.091,6 8.034,7 0.423,8 3.866,9 3.979,10 3.531,11 3.431,12 5.011,13 3.394,14 4.389,15 4.537,16 3.973,17 3.835,18 5.587,19 3.776,20 4.639,21 4.792,22 3.979,23 3.969,24 5.74,25 3.879,26 4.738,27 4.965,28 4.031,29 3.939,30 5.811,31 3.828,32 4.633,33 4.85,34 3.867,35 3.792,36 5.808,37 3.71,38 4.545,39 4.727,40 3.808,41 3.697,42 5.996,43 3.608,44 4.453,45 4.655,46 3.497,47 3.542,48 5.744,49 3.461,50 4.27,51 4.52,52 3.387,53 3.492,54 5.29,55 3.372,56 0.074,57 0.64,58 8.739,59 4.059,60 11.554,61 4.832,62 0.306,63 1.008,64 17.555,65 7.246,66 37.377,67 8.814,68 0.414,69 1.234,70 26.118,71 9.345,72 44.041,73 10.419,74 0.36,75 1.341,76 31.573,77 10.324,78 39.073,79 13.353,80 0.449,81 1.185,82 27.69,83 8.418,84 61.217,85 10.158,86 0.657,87 1.069,88 27.365,89 8.375,90 100.413,91 9.528,92 0.757,93 0.934,94 23.225,95 5.933,96 100.83,97 6.558,98 0.186,99 0.788,100 19.274,101 6.935,102 26.027,103 9.036,104 27,105 38,106 0.3,107 0.663,108 0.771,109 0.81,110 0.821,111 0.821,112 3.229,113 0.968,114 -2.84,115 -2.85,116 -2.76,118 39.5,119 2,120 1,124 1,128 1,138 5,139 2,140 1,148 1,149 1,153 1,154 1,158 1,159 1,160 1,167 6,171 4,172 1,173 3,174 1,175 5,178 10,180 1,182 3,186 4,188 5,190 1,192 7,195 1,196 1,197 8,198 1,199 2,201 2,204 3,206 1,208 3,211 2,214 2,215 4,217 2,218 3,219 1,220 6,222 1,223 4,225 2,227 1,231 1,235 6,240 4,245 4,247 6,249 2,252 4,257 2,260 3,262 2,264 820,265 15.585,266 15.585,267 15.585,268 15.585,269 15.585,270 13.913,271 23.755,272 9.076,273 15.956,274 12.861,275 12.861,276 12.861,277 12.861,278 12.861,279 10.269,280 38.331,281 4.349,282 13.498,283 3.714,284 1.638,285 1.02,286 0.797,287 0.733,288 0.733,289 3.903,292 1,293 1,294 1,295 484,296 3.674,299 51.846,300 146.335,303 99.343,307 1.375,308 28.818,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 52.5,320 228,321 4.634,322 3.707,323 6.976,324 4.316,325 3.362,326 4.324,327 1.656,328 11.853,329 3.21,330 4.152,331 3.553,332 6.643,333 4,334 3.053,335 3.476,336 1.151,337 10.665,338 2.889,339 3.959,340 3.47,341 5.666,342 3.589,343 2.62,344 3.207,345 0.98,346 7.543,347 2.532,348 3.582,349 2.95,350 5.491,351 3.219,352 2.256,353 2.827,354 0.247,355 7.154,356 2.157,357 3.554,358 2.539,359 5.141,360 3.155,361 2.177,362 2.786,364 6.123,365 2.11,366 3.091,367 2.257,368 4.64,369 2.637,370 1.7,371 2.248,373 4.785,374 1.565,375 2.839,376 2.02,377 4.357,378 2.379,379 1.427,380 1.962,382 3.778,383 1.355,384 2.725,385 1.519,386 3.593,387 2.362,388 1.372,389 1.731,391 2.983,392 1.323,393 2.5,394 1.097,395 3.566,396 2,397 1,398 1.5,400 2.136,401 1,402 1.804,403 1,404 3.247,405 1.451,406 0.592,407 0.692,409 1.521,410 0.495,411 1.235,412 0.72,413 2.989,414 1.009,415 0.068,416 0.076,417 0.194,418 0.064,419 1.164,420 0.438,421 2.842,422 0.788,423 -0.188,424 -0.222,425 -0.49,426 -0.18,427 0.819,428 0.114,429 2.642,430 0.489,431 -0.467,432 -0.59,433 -1.255,434 -0.435,435 0.5,436 -0.056,437 2.361,438 0.086,439 -0.871,440 -0.946,441 -2,442 -0.814,443 0.478,444 -0.405,445 2.107,446 0.037,447 -1,448 -1,449 -2.258,450 -0.994,451 11.533,452 0.481,453 0.817,454 0.034,455 29.25,456 1.219,457 14,458 0.583,459 15.25,460 0.635,461 21.707,462 0.904,463 26.267,464 0.611,465 20.793,466 0.866,467 5.627,468 0.234,469 5.728,470 0.239,471 0.179,472 0.043,473 0.303,478 0.814,479 1.108,480 0.758,481 0.897,482 0.678,483 0.871,484 0.669,485 0.978,486 0.718,487 0.912,488 0.447,489 0.858,490 1.389,491 1.204,492 1.294,493 1.204,494 1.04,495 1.158,496 0.567,497 1.237,498 0.853,499 1.21,500 0.665,501 1.027,502 1.245,503 1.043,504 1.089,505 0.98,506 1.406,507 0.896,508 1.062,509 1.212,510 1.408,511 1.339,512 1.21,513 1.131,514 2.156,515 0.567,516 1.465,517 0.665,518 2.494,519 0.884,520 0.568,521 0.904,522 0.745,523 0.907,524 0.503,525 0.806,526 6.5,527 0.106,528 2.444,529 2.479,530 1.686,531 1.247,532 0.399,533 0.417,534 0.198,535 0.147,536 5969,537 17188,538 2.005,539 44.2,541 7,544 4,546 8,549 1.671,550 1.834,551 3.204,552 1.819,553 1,554 1,556 1,558 73.622,559 1.712,560 3.788,561 4.406,562 4.629,563 4.693,564 4.693,565 2.657,566 3.97,567 4.556,568 3.368,569 929.434,570 7.875,571 10788.2,573 1,575 1,576 233.329,577 1.697,578 4.483,579 0.25,580 0.009,581 0.064,582 0.069,583 0.048,584 0.039,585 0.014,586 0.02,587 0.009,588 0.009,589 0.53,590 0.33,591 1,592 0.854,593 113.221,594 -0.105,595 0.068,596 0.04,597 0.093,598 -0.11,599 0.075,600 0.206,601 0.093,602 0.2,603 0.115,604 0.187,605 0.118,606 -0.263,607 -0.152,608 -0.232,609 -0.126,610 -0.176,611 -0.201,612 0.189,613 -0.255,614 0.209,615 -0.166,616 0.118,617 -0.009,618 -0.122,619 -0.014,620 -0.008,621 0.011,622 -0.131,623 0.045,624 0.255,625 -0.173,626 -0.166,627 -0.227,628 0.3,629 -0.184,630 -0.457,631 0.481,632 -0.403,633 0.235,634 -0.517,635 -0.045,636 0.102,637 -0.007,638 0.219,639 0.095,640 0.172,641 0.249,642 2.208,643 5.198,644 0.625,645 19.431,646 1.01,647 1.125,648 1.609,649 2.59,650 0.677,651 3.296,652 3.664,653 3.871,654 4.19,655 4.407,656 4.477,657 4.489,658 4.615,659 4.533,660 4.382,661 5.689,662 0.642,663 345.46,664 3.296,665 4.86,666 5.7,667 6.608,668 7.476,669 8.389,670 9.27,671 10.187,672 11.076,673 11.995,674 7,681 3,690 5,694 1,695 5,697 11,703 1,716 43,718 13,719 1,720 26,722 45,723 17,724 10,725 1,726 5,727 1,728 3,729 4,731 1,732 2,735 1,736 1,738 1,740 12,741 5,742 1,744 2,749 2,753 2,756 1,757 1,760 19,761 6,762 4,763 7,764 1,769 3,775 0.667,776 3,793 1,794 2,797 1,818 1,819 2,821 1,823 2,827 24,828 1,833 2,834 2,835 1,839 1,845 1,850 7,853 2,854 1,858 13.083,859 8.167,860 5.111,861 2.361,863 1.976,864 1.283,865 0.971,866 4.718,867 8.966,868 3.541,869 4.123,870 4.596,871 5.186,872 5.569,873 5.729,874 5.888,875 6.104,876 6.205,877 6.233,878 1,879 36,880 8.901,881 3.844,882 7.927,883 16.693,884 13.747,885 2.427,886 58.25,890 176.567,891 123.833,892 68.919,894 61.29,896 31.278,897 92.555,898 237.856,899 68.919,900 17.65,901 76.046,902 47.381,903 65.994,904 10.057,905 5.634,906 207.844,908 176.567,909 161.474,910 61.29,911 31.278,913 82.398,914 144.459,915 11,917 94.626,918 66.848,920 31.278,921 176.567,922 130.208,923 123.833,926 176.567,927 58.801,928 65.032,929 36.022,930 94.187,931 176.567,932 130.208,933 123.833,935 0.594,936 0.324,937 0.181,938 0.106,939 19,940 9,941 0.067,942 3,943 1,944 1.133,945 3.513,946 195.681,947 0.133,948 15,949 104.039,950 1,954 17.082,955 6.629,956 3.854,958 130.208,959 9.083,963 1.332,964 3.315,966 68.919,967 430.608,968 33.5,973 24.12,977 -0.956,980 43.433,981 48.365,983 0.316,984 0.698,985 0.812,986 0.853,987 0.865,988 0.865,989 4.81,990 1.372,991 5.746,992 3.778,993 4.344,994 4.808,995 2.339,996 6.613,997 4.249,998 6.043,999 1,1000 7.344,1001 2.983,1002 4.205,1003 4.758,1004 1.195,1005 7.816,1006 4.079,1007 7.376,1008 0.592,1009 9.049,1010 2.136,1011 6.043,1012 6.959,1013 2.806,1014 10.83,1015 5.854,1016 8.738,1017 0.068,1018 10.818,1019 1.521,1020 6.661,1021 7.666,1022 2.324,1023 12.812,1024 6.431,1025 10.13,1026 -0.188,1027 12.626,1028 0.194,1029 8.064,1030 9.424,1031 3.467,1032 15.429,1033 7.783,1034 11.543,1035 -0.467,1036 14.461,1037 -0.49,1038 9.006,1039 10.5,1040 3.407,1041 17.702,1042 8.675,1043 12.974,1044 -0.871,1045 16.317,1046 -1.255,1047 10.259,1048 12.082,1049 4.272,1050 20.202,1051 9.881,1052 3.362,1053 -1,1054 18.188,1055 -2,1056 11.341,1057 13.348,1058 4.464,1059 22.585,1060 10.912,1061 3.053,1062 11.853,1063 20.07,1064 -2.258,1065 12.544,1066 14.855,1067 5.169,1068 25.048,1069 12.069,1070 2.62,1071 10.665,1072 21.961,1073 4.324,1074 13.687,1075 16.218,1076 5.504,1077 27.474,1078 13.161,1079 2.256,1080 7.543,1081 23.859,1082 3.476,1083 14.877,1084 17.695,1085 6.118,1086 29.928,1087 14.305,1088 2.177,1089 7.154,1090 25.763,1091 3.207,1092 16.047,1093 19.107,1094 6.531,1095 32.371,1096 15.427,1097 1.7,1098 6.123,1099 27.672,1100 2.827,1101 17.236,1102 20.573,1103 7.096,1104 34.825,1105 16.569,1106 1.427,1107 4.785,1108 29.585,1109 2.786,1110 18.42,1111 22.01,1112 7.551,1113 37.276,1114 17.705,1115 5878,1116 10111,1117 16.701,1118 29.12,1119 39.91,1120 41.418,1121 40.309,1122 39.166,1123 39.254,1124 49.658,1125 8.068,1126 117.47,1127 37.401,1128 5.58,1129 5.707,1130 6.778,1131 5.463,1132 5.362,1133 7.324,1134 2.912,1135 18.965,1136 5.21,1137 13.435,1138 1.535,1139 1.593,1140 1.55,1141 1.506,1142 1.51,1143 1.91,1144 0.31,1145 4.518,1146 1.438,1147 4.026,1148 4.037,1149 4.284,1150 4.013,1151 7.438,1152 3.964,1153 3.893,1154 3.926,1155 3.832,1156 3.821,1157 7.43,1158 3.816,1159 3.627,1160 3.668,1161 3.574,1162 3.487,1163 4.901,1164 3.473,1165 3.405,1166 3.451,1167 3.351,1168 3.112,1169 4.775,1170 3.163,1171 3.283,1172 3.338,1173 3.347,1174 3.062,1175 4.723,1176 3.073,1177 2.971,1178 3.047,1179 2.835,1180 2.743,1181 4.362,1182 2.737,1183 2.874,1184 3.009,1185 2.72,1186 2.735,1187 3.958,1188 2.715,1189 2.867,1190 2.954,1191 2.687,1192 2.67,1193 3.842,1194 2.662,1195 0.178,1196 0.143,1197 0.268,1198 0.166,1199 0.129,1200 4.634,1201 0.166,1202 3.707,1203 0.064,1204 6.976,1205 0.456,1206 4.316,1207 0.123,1208 3.362,1209 4.324,1210 1.656,1211 11.853,1212 3.21,1213 1.887,1214 1.856,1215 2.011,1216 1.996,1217 1.276,1218 2,1219 1.828,1220 1.803,1221 1.989,1222 1.972,1223 1.061,1224 1.978,1225 1.553,1226 1.539,1227 1.655,1228 1.752,1229 0.84,1230 1.727,1231 1.386,1232 1.348,1233 1.513,1234 1.594,1235 0.755,1236 1.579,1237 1.205,1238 1.161,1239 1.417,1240 1.469,1241 0.469,1242 1.481,1243 0.939,1244 0.864,1245 1.373,1246 1.239,1247 0.445,1248 1.308,1249 0.934,1250 0.821,1251 1.277,1252 1.235,1253 0.276,1254 1.255,1255 0.886,1256 0.804,1257 1.181,1258 1.104,1259 0.218,1260 1.13,1261 3.97,1263 5.323,1264 2.398,1265 6.853,1266 4.844,1267 8.469,1268 7.05,1269 10.134,1271 3.932,1275 5.555,1277 0.994,1278 5.463,1279 5.77,1283 -0.359,1289 27.61,1290 73.622,1291 162.891,1292 189.455,1293 199.065,1294 201.82,1295 201.82,1296 49.179,1297 6.99,1298 93.45,1299 121.69,1300 17,1301 12.51,1302 3.807,1303 3.087,1304 39.201,1305 80,1306 86,1307 0.24,1308 174.671,1309 303.18,1310 417.957,1311 9186,1313 17.32,1314 0.722,1315 0.597,1316 17.673,1317 14.328,1318 11.355,1319 0.437,1320 0.323,1321 7.536,1322 10.479,1323 7.2,1324 5.986,1325 11.763,1326 8.386,1327 11.229,1328 0.295,1329 0.193,1330 11.871,1331 7.348,1332 8.165,1333 0.174,1334 0.105,1335 8.941,1336 4.913,1337 7.233,1338 0.111,1339 0.059,1340 8.237,1341 3.82,1342 5.8,1343 0.072,1344 0.036,1345 6.813,1346 2.893,1347 0.369,1348 75.326,1349 0.245,1350 23.24,1351 0.676,1352 128,1353 392.045,1354 168.116,1355 396.313,1356 531.87,1357 368,1358 149,1359 368.822,1360 184.578,1361 389.229,1362 567.94,1363 364,1364 4.119}
{0 CHEMBL428067,1 1.782,2 9.769,3 4.523,4 20.458,5 96.264,6 9.626,7 0.621,8 3.798,9 3.888,10 3.578,11 3.366,12 5.067,13 3.395,14 4.265,15 4.374,16 3.95,17 3.723,18 5.526,19 3.736,20 4.425,21 4.584,22 4.007,23 3.796,24 5.642,25 3.786,26 4.426,27 4.59,28 3.953,29 3.728,30 5.696,31 3.71,32 4.379,33 4.568,34 3.925,35 3.669,36 5.657,37 3.654,38 4.275,39 4.451,40 3.8,41 3.622,42 5.559,43 3.6,44 4.202,45 4.363,46 3.693,47 3.525,48 5.451,49 3.498,50 4.126,51 4.334,52 3.388,53 3.365,54 5.275,55 3.297,56 0.127,57 0.579,58 4.039,59 2.781,60 9.518,61 2.655,62 0.414,63 0.893,64 8.501,65 4.764,66 20.783,67 4.569,68 0.402,69 1.035,70 13.79,71 5.675,72 27.061,73 6.007,74 0.538,75 1.022,76 16.004,77 5.808,78 37.39,79 5.899,80 0.524,81 0.973,82 15.381,83 5.298,84 45.136,85 5.496,86 0.408,87 0.871,88 15.92,89 5.263,90 40.433,91 5.796,92 0.408,93 0.8,94 11.511,95 4.519,96 25.345,97 4.74,98 0.377,99 0.729,100 12.745,101 4.793,102 29.51,103 5.68,104 6,105 40,106 0.313,107 0.654,108 0.793,109 0.902,110 0.911,111 0.911,112 3.304,113 0.834,114 -3.81,115 -3.77,116 -3.58,118 47.4,125 1,138 7,139 1,140 5,141 1,143 1,146 1,153 1,167 5,170 2,171 4,173 3,175 3,178 5,182 3,184 1,186 4,188 3,192 8,195 3,196 1,197 3,203 1,204 9,211 2,214 3,215 4,220 2,223 3,227 1,228 2,231 1,233 4,235 2,239 1,240 2,243 2,245 2,247 1,252 2,260 4,264 962,265 18.024,266 18.024,267 18.024,268 18.024,269 18.024,270 15.653,271 25.354,272 10.684,273 18.524,274 14.281,275 14.281,276 14.281,277 14.281,278 14.281,279 10.667,280 40.937,281 4.988,282 15.189,283 3.465,284 1.517,285 0.728,286 0.105,287 0.053,288 0.053,289 4.005,290 1,293 1,294 1,295 558,296 2.646,299 55.013,300 228.879,303 102.144,307 1.592,308 25.908,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 56.833,320 254,321 4.489,322 4.07,323 6.684,324 4.083,325 3.145,326 4.173,327 2.035,328 10.781,329 2.93,330 4.284,331 3.486,332 6.162,333 3.856,334 2.889,335 3.894,336 1.392,337 9.138,338 2.804,339 4.029,340 2.978,341 5.687,342 3.556,343 2.62,344 3.628,345 0.532,346 7.791,347 2.442,348 3.626,349 2.914,350 5.509,351 3.227,352 2.326,353 2.945,354 0.4,355 7.125,356 2.068,357 3.42,358 2.669,359 4.979,360 2.933,361 2.015,362 2.606,363 0.4,364 5.857,365 1.827,366 3.28,367 2.266,368 4.619,369 2.626,370 1.682,371 2.266,373 4.65,374 1.567,375 3.049,376 2.035,377 4.298,378 2.511,379 1.528,380 2.235,382 3.977,383 1.502,384 2.863,385 1.814,386 3.635,387 2.394,388 1.418,389 2.007,391 3.026,392 1.379,393 2.67,394 1.579,395 3.606,396 2.138,397 1.19,398 1.73,400 2.662,401 1.118,402 2.643,403 1.462,404 3.482,405 2.095,406 1.125,407 1.218,409 2.513,410 1.075,411 2.236,412 1.269,413 3.417,414 1.555,415 0.659,416 0.976,417 1.779,418 0.584,419 1.788,420 1.113,421 2.963,422 1.489,423 0.534,424 0.721,425 0.918,426 0.508,427 1.522,428 0.775,429 2.895,430 1.14,431 0.274,432 0.329,433 0.65,434 0.212,435 1.406,436 0.406,437 2.62,438 0.933,443 0.922,444 -0.048,445 2.528,446 0.468,447 -0.421,448 -0.519,449 -1.042,450 -0.336,451 12.381,452 0.476,453 0.516,454 0.02,455 41,456 1.577,457 23,458 0.885,459 18,460 0.692,461 16.053,462 0.617,463 26.019,464 0.685,465 28.326,466 1.089,467 8.141,468 0.313,469 4.6,470 0.177,471 0.09,473 0.323,478 0.909,479 1.232,480 0.54,481 0.9,482 0.625,483 0.754,484 0.989,485 0.954,486 0.707,487 0.86,488 0.644,489 0.854,490 0.939,491 1.239,492 0.928,493 1.048,494 0.754,495 0.995,496 1.058,497 1.091,498 1.155,499 1.099,500 1.059,501 1.087,502 1.001,503 1.014,504 0.915,505 0.838,506 1.179,507 0.863,508 1.004,509 0.951,510 1.191,511 0.95,512 0.944,513 0.902,514 0.903,515 1.124,516 1.044,517 1.16,518 0.837,519 1.173,520 0.811,521 0.96,522 0.98,523 1.039,524 0.95,525 1.136,526 4.5,527 0.116,528 2.667,529 1.5,530 1.489,531 0.535,532 0.416,533 0.248,534 0.176,535 0.164,536 8294,537 27861,538 2.148,539 31.6,541 7,542 2,543 1,544 2,549 1.691,550 2.053,551 3.281,552 0.327,558 67.733,559 1.782,560 3.731,561 4.52,562 5.143,563 5.195,564 5.195,565 2.623,566 4.316,567 4.678,568 3.474,569 1129.05,570 8.101,571 14217.2,573 1,576 199.421,577 1.239,578 4.65,579 0.155,580 0.005,581 0.067,582 0.038,583 0.041,584 0.016,585 0.013,586 0.009,587 0.008,588 0.009,589 0.36,590 0.33,591 1,592 0.646,593 127.119,594 -0.13,595 -0.169,596 0.01,597 -0.061,598 -0.058,599 0.006,600 0.054,601 0.072,602 -0.022,603 0.024,604 -0.022,605 -0.046,606 -0.061,607 -0.215,608 -0.021,609 -0.124,610 -0.027,611 -0.082,612 -0.018,613 -0.073,614 -0.125,615 -0.156,616 -0.073,617 -0.169,618 -0.028,619 0.025,620 0.089,621 0.105,622 -0.069,623 0.093,624 -0.062,625 0.049,626 -0.08,627 0.028,628 0.025,629 0.07,630 0.046,631 -0.114,632 -0.134,633 -0.227,634 -0.035,635 -0.25,636 0.074,637 -0.011,638 -0.038,639 -0.039,640 -0.013,641 -0.068,642 1.355,643 3.182,644 0.808,645 20.923,646 1.027,647 1.119,648 2.579,649 6.651,650 0.733,651 3.401,652 3.714,653 4.007,654 4.277,655 4.466,656 4.489,657 4.575,658 4.691,659 4.718,660 4.787,661 6.211,662 0.723,663 365.8,664 3.401,665 4.934,666 5.79,667 6.666,668 7.535,669 8.415,670 9.289,671 10.17,672 11.047,673 11.929,674 13.2,682 2,683 1,684 2,690 8,691 2,695 8,697 18,699 1,709 2,714 2,715 1,716 38,718 19,719 2,720 29,722 41,723 18,724 16,725 6,726 6,728 4,729 5,730 1,739 1,740 16,741 1,757 1,760 12,761 7,762 2,763 8,764 1,769 5,775 0.75,776 2,788 1,793 1,794 3,797 1,819 3,824 1,827 26,833 1,834 2,835 2,842 1,846 1,848 1,849 1,850 5.3,855 2,858 12.667,859 6.993,860 5.778,861 2.087,863 3.75,864 1.498,865 1.015,866 4.59,867 11.276,868 3.714,869 4.297,870 4.888,871 5.446,872 5.952,873 6.104,874 6.41,875 6.789,876 7.102,877 7.455,878 1,879 40,880 9.495,881 4.038,882 7.863,883 17.693,884 14.179,885 2.363,886 61.444,890 117.711,891 125.547,892 100.652,893 39.149,894 22,897 125.547,898 178.859,899 100.652,901 6.65,902 66.334,903 61.944,904 120.815,905 27.769,906 82.398,907 39.149,908 117.711,909 226.199,910 22,911 39.149,913 117.711,914 22,917 84.678,918 107.95,919 72.72,921 117.711,922 122.652,923 164.695,926 117.711,927 33.564,928 75.381,929 52.623,930 125.779,931 117.711,932 122.652,933 164.695,935 0.574,936 0.347,937 0.194,938 0.102,939 20,940 8,941 0.098,942 4,943 1,944 1.095,945 3.848,946 221.253,947 0.095,948 21,949 122.211,954 16.615,955 7.183,956 3.447,958 122.652,959 13.901,960 8.594,964 4.21,966 36.022,967 405.058,968 40,980 39.022,981 42.515,983 0.34,984 0.711,985 0.861,986 0.98,987 0.99,988 0.99,989 4.945,990 1.418,991 5.759,992 3.977,993 4.394,994 4.984,995 2.664,996 6.561,997 4.271,998 6.154,999 1.19,1000 7.307,1001 3.026,1002 3.892,1003 4.691,1005 7.434,1006 3.664,1007 7.458,1008 1.125,1009 8.956,1010 2.662,1011 5.974,1012 7.173,1013 3.762,1014 10.543,1015 5.734,1016 8.796,1017 0.659,1018 10.667,1019 2.513,1020 6.33,1021 7.716,1023 12.269,1024 5.989,1025 10.166,1026 0.534,1027 12.417,1028 1.779,1029 7.838,1030 9.634,1031 5.059,1032 14.878,1033 7.484,1034 11.557,1035 0.274,1036 14.195,1037 0.918,1038 8.595,1039 10.577,1041 16.957,1042 8.152,1043 12.966,1045 15.992,1046 0.65,1047 9.869,1048 12.243,1049 6.424,1050 19.4,1051 9.4,1052 3.145,1053 -0.421,1054 17.806,1056 10.817,1057 13.396,1059 21.635,1060 10.269,1061 2.889,1062 10.781,1063 19.63,1064 -1.042,1065 11.994,1066 14.936,1067 7.819,1068 24.021,1069 11.407,1070 2.62,1071 9.138,1072 21.465,1073 4.173,1074 13.033,1075 16.201,1077 26.326,1078 12.373,1079 2.326,1080 7.791,1081 23.307,1082 3.894,1083 14.173,1084 17.676,1085 9.228,1086 28.695,1087 13.463,1088 2.015,1089 7.125,1090 25.157,1091 3.628,1092 15.256,1093 19.004,1095 31.033,1096 14.476,1097 1.682,1098 5.857,1099 27.012,1100 2.945,1101 16.383,1102 20.446,1103 10.643,1104 33.399,1105 15.547,1106 1.528,1107 4.65,1108 28.871,1109 2.606,1110 17.488,1111 21.809,1113 35.753,1114 16.582,1115 7802,1116 14450,1117 19.879,1118 27.841,1119 43.99,1120 46.716,1121 44.145,1122 42.909,1123 42.809,1124 57.454,1125 9.515,1126 121.734,1127 40.034,1128 5.346,1129 6.07,1130 6.378,1131 5.162,1132 5.145,1133 7.173,1134 4.069,1135 17.937,1136 4.93,1137 9.31,1138 1.517,1139 1.611,1140 1.522,1141 1.48,1142 1.476,1143 1.981,1144 0.328,1145 4.198,1146 1.38,1147 4,1148 4.03,1149 4.056,1150 3.89,1151 6.82,1152 3.901,1153 3.922,1154 3.942,1155 3.899,1156 3.843,1157 5.086,1158 3.847,1159 3.768,1160 3.811,1161 3.734,1162 3.61,1163 4.982,1164 3.634,1165 3.306,1166 3.326,1167 3.495,1168 3.051,1169 4.712,1170 3.082,1171 3.184,1172 3.239,1173 3.143,1174 3.034,1175 4.688,1176 3.053,1177 3.11,1178 3.188,1179 3.031,1180 2.899,1181 4.138,1182 2.921,1183 2.982,1184 3.058,1185 2.923,1186 2.802,1187 4.041,1188 2.81,1189 2.711,1190 2.787,1191 2.853,1192 2.551,1193 3.981,1194 2.552,1195 0.155,1196 0.14,1197 0.23,1198 0.141,1199 0.108,1200 4.489,1201 0.144,1202 4.07,1203 0.07,1204 6.684,1205 0.372,1206 4.083,1207 0.101,1208 3.145,1209 4.173,1210 2.035,1211 10.781,1212 2.93,1213 1.915,1214 1.886,1215 2.007,1216 2.039,1217 1.075,1218 2.024,1219 1.86,1220 1.844,1221 1.913,1222 1.959,1223 1.055,1224 1.956,1225 1.693,1226 1.649,1227 1.784,1228 1.844,1229 0.776,1230 1.834,1231 1.166,1232 1.133,1233 1.435,1234 1.521,1235 0.578,1236 1.486,1237 1.125,1238 1.079,1239 1.253,1240 1.31,1241 0.277,1242 1.3,1243 1.024,1244 0.956,1245 1.218,1246 1.277,1247 0.189,1248 1.255,1249 0.889,1250 0.813,1251 1.128,1252 1.157,1253 0.176,1254 1.158,1255 0.78,1256 0.782,1257 0.933,1258 0.951,1260 0.942,1261 4.078,1263 5.389,1264 2.398,1265 6.903,1266 4.595,1267 8.51,1268 6.605,1269 10.164,1272 6.274,1277 0.145,1278 6.177,1279 10.838,1287 9.182,1288 2.124,1289 27.471,1290 67.733,1291 141.77,1292 171.77,1293 195.421,1294 197.421,1295 197.421,1296 34.054,1297 7.526,1298 92.09,1299 92.09,1300 23,1301 12.464,1302 4.322,1303 3.585,1304 38.048,1305 98,1306 84,1307 0.189,1308 171.954,1309 296.57,1310 411.329,1311 20412,1312 2.6,1313 17.933,1314 0.69,1315 0.543,1316 18.433,1317 14.118,1318 12.742,1319 0.439,1320 0.278,1321 7.578,1322 11.909,1323 7.433,1324 6.14,1325 13.03,1326 8.065,1327 11.156,1328 0.279,1329 0.143,1330 11.527,1331 5.736,1332 9.715,1333 0.18,1334 0.074,1335 10.074,1336 4.006,1337 8.283,1338 0.117,1339 0.038,1340 8.558,1341 2.688,1342 6.548,1343 0.076,1344 0.02,1345 6.878,1346 1.75,1347 0.297,1348 83.473,1349 0.224,1350 25.039,1351 0.52,1352 138,1353 465.276,1354 169.624,1355 478.824,1356 647.98,1357 448,1358 163,1359 458.969,1360 191.668,1361 473.254,1362 693.22,1363 444,1364 4.688}
{0 CHEMBL428690,1 1.621,2 9.179,3 3.058,4 9.351,5 107.239,6 8.372,7 0.387,8 3.998,9 4.081,10 3.643,11 3.551,12 5.185,13 3.547,14 4.526,15 4.657,16 4.068,17 3.981,18 5.672,19 3.964,20 4.86,21 5.01,22 4.257,23 4.182,24 6.024,25 4.146,26 4.993,27 5.169,28 4.32,29 4.174,30 6.329,31 4.136,32 4.957,33 5.122,34 4.179,35 4.12,36 6.224,37 4.086,38 4.873,39 5.039,40 4.168,41 4.068,42 6.187,43 4.031,44 4.776,45 4.936,46 4.086,47 3.998,48 6.148,49 3.954,50 4.756,51 4.918,52 3.985,53 3.903,54 6.093,55 3.826,56 0.15,57 0.625,58 8.515,59 4.62,60 23.107,61 5.139,62 0.27,63 1.055,64 16.568,65 7.705,66 29.558,67 9.058,68 0.531,69 1.357,70 27.094,71 11.206,72 68.163,73 13.079,74 1.093,75 1.46,76 36.08,77 12.755,78 133.607,79 15.517,80 1.022,81 1.382,82 34.357,83 11.916,84 133.424,85 13.411,86 0.905,87 1.309,88 30.036,89 10.934,90 121.366,91 12.641,92 0.696,93 1.213,94 25.512,95 9.96,96 115.959,97 11.638,98 0.931,99 1.116,100 29.706,101 9.737,102 118.433,103 10.744,104 37,105 46,106 0.275,107 0.664,108 0.835,109 0.897,110 0.911,111 0.911,112 3.376,113 0.908,114 -3.46,115 -3.44,116 -3.29,118 43.8,120 1,121 1,123 1,124 2,126 1,132 1,135 1,138 5,139 3,140 4,152 1,167 6,171 7,175 5,178 12,182 3,184 1,186 3,188 7,191 1,192 9,195 3,196 1,197 4,199 10,204 3,206 1,207 1,208 3,211 5,214 1,215 6,218 2,220 4,223 10,228 1,231 1,232 1,233 4,235 7,239 1,240 2,243 1,245 7,247 7,252 1,257 5,260 2,264 1194,265 18.499,266 18.499,267 18.499,268 18.499,269 18.499,270 16.626,271 20.975,272 10.547,273 18.887,274 15.261,275 15.261,276 15.261,277 15.261,278 15.261,279 12.373,280 26.694,281 4.972,282 15.985,283 3.964,284 1.681,285 0.674,286 0.307,287 0.224,288 0.224,289 4.066,290 1,293 1,294 1,295 553,296 2.449,300 286.945,304 111.001,307 1.217,308 47.636,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 61.833,320 257,321 4.68,322 3.71,323 7.072,324 4.331,325 3.355,326 4.38,327 0.86,328 12.191,329 3.274,330 4.328,331 3.357,332 6.511,333 3.955,334 2.991,335 3.939,336 0.8,337 10.125,338 2.89,339 4.047,340 3.221,341 6.393,342 3.805,343 2.836,344 3.385,346 9.659,347 2.725,348 3.67,349 2.916,350 5.686,351 3.402,352 2.441,353 2.942,355 7.384,356 2.336,357 3.508,358 2.645,359 5.27,360 3.116,361 2.189,362 2.654,364 6.377,365 2.02,366 3.267,367 2.55,368 5.016,369 2.903,370 1.979,371 2.499,373 5.617,374 1.812,375 3.087,376 2.273,377 4.948,378 2.779,379 1.829,380 2.17,382 5.502,383 1.726,384 2.963,385 2.142,386 4.719,387 2.65,388 1.673,389 2.017,391 4.653,392 1.609,393 2.86,394 1.68,395 4.184,396 2.352,397 1.414,398 1.986,400 3.565,401 1.307,402 2.572,403 1.589,404 3.922,405 2.324,406 1.365,407 1.548,409 3.106,410 1.249,411 2.384,412 1.186,413 3.589,414 2.046,415 1.071,416 1.376,417 2.745,418 1.037,419 1.581,420 0.818,421 3.418,422 1.382,423 0.444,424 0.481,425 1.154,426 0.412,427 1.393,428 0.768,429 3.084,430 0.931,431 -0.013,432 -0.016,433 -0.035,434 -0.011,435 1.159,436 0.364,437 2.696,438 0.696,439 -0.252,440 -0.275,441 -0.615,442 -0.204,443 0.876,444 0.093,445 2.523,446 0.636,447 -0.275,448 -0.387,449 -0.689,450 -0.244,451 13.281,452 0.474,453 0.895,454 0.032,455 34.5,456 1.232,457 16.5,458 0.589,459 18,460 0.643,461 25.875,462 0.924,463 30.519,464 0.636,465 28.891,466 1.032,467 6.776,468 0.242,469 6.587,470 0.235,471 0.192,473 0.444,478 0.873,479 1.115,480 0.646,481 0.899,482 0.849,483 0.837,484 0.804,485 1.014,486 0.673,487 0.896,488 0.616,489 0.841,490 0.989,491 1.074,492 0.86,493 1.032,494 0.93,495 0.985,496 0.789,497 0.975,498 0.808,499 0.994,500 0.718,501 0.917,502 1.364,503 0.904,504 0.988,505 0.883,506 1.281,507 0.91,508 1.137,509 0.949,510 0.828,511 0.899,512 1.198,513 0.92,514 1.051,515 1.153,516 0.869,517 1.036,518 1.263,519 1.043,520 1.388,521 1.055,522 1.27,523 1.081,524 1.588,525 1.181,526 6,527 0.091,528 3.778,529 3.125,530 2.316,531 1.465,532 1.157,533 0.639,534 0.39,535 0.138,536 8277,537 25573,538 2.051,539 41.7,541 14,544 3,546 3,549 1.72,550 1.867,551 3.146,552 0.917,553 1,554 1,558 77.791,559 1.621,560 3.904,561 4.911,562 5.278,563 5.361,564 5.361,565 2.594,566 4.45,567 4.78,568 3.27,569 1236.14,570 8.363,571 15412.4,573 1,575 1,576 268.078,577 1.531,578 4.711,579 0.194,580 0.011,581 0.082,582 0.06,583 0.045,584 0.031,585 0.026,586 0.016,587 0.013,588 0.007,589 0.484,590 0.5,591 1,592 0.648,593 136.101,594 -0.119,595 0.009,596 -0.008,597 0.08,598 -0.13,599 0.069,600 -0.078,601 0.11,602 0.044,603 0.064,604 0.01,605 0.087,606 -0.076,607 -0.052,608 -0.007,609 -0.055,610 -0.074,611 -0.032,612 0.259,613 -0.015,614 0.142,615 -0.019,616 0.234,617 0.058,618 -0.134,619 0.049,620 -0.067,621 0.076,622 -0.115,623 0.031,624 -0.013,625 0.031,626 0.037,627 0.055,628 -0.015,629 0.024,630 -0.01,631 -0.153,632 -0.013,633 -0.08,634 0.021,635 -0.1,636 -0.137,637 -0.097,638 -0.182,639 -0.104,640 -0.207,641 -0.244,642 2.114,643 5.769,644 0.786,645 21.786,646 1.019,647 1.118,648 2.232,649 4.982,650 0.682,651 3.466,652 3.85,653 4.174,654 4.511,655 4.779,656 4.942,657 5.094,658 5.247,659 5.342,660 5.357,661 5.48,662 0.66,663 401.87,664 3.466,665 5.043,666 5.927,667 6.845,668 7.747,669 8.672,670 9.583,671 10.511,672 11.427,673 12.357,674 2.1,677 1,690 5,695 7,697 12,702 1,713 2,714 1,715 1,716 48,718 14,719 2,720 31,722 51,723 21,724 12,725 7,726 5,727 3,728 4,729 5,730 1,735 2,736 1,738 2,740 15,741 6,742 1,744 2,749 1,751 1,753 2,757 1,760 20,761 6,762 3,763 7,764 1,769 1,775 0.75,776 5,778 1,794 4,798 1,811 2,816 1,817 1,819 3,823 1,824 1,827 28,832 3,833 3,835 1,837 2,838 1,849 1,850 10.4,851 1,852 2,853 1,855 1,858 15,859 8.693,860 6,861 2.776,863 2.696,864 1.347,865 0.919,866 5.099,867 10.458,868 3.689,869 4.304,870 4.894,871 5.485,872 6.015,873 6.353,874 6.695,875 7.089,876 7.422,877 7.706,878 1,879 52,880 10.505,881 4.798,882 8.028,883 19.44,884 16.632,885 2.528,886 70.778,889 1,890 200.109,891 100.677,892 3.124,893 39.149,894 164.195,897 100.677,898 403.452,899 3.124,900 8.396,901 6.746,902 99.541,903 120.889,904 32.425,906 200.109,907 39.149,908 200.109,909 103.802,910 164.195,911 39.149,913 164.795,914 156.825,915 42.683,917 9.87,918 79.212,919 53.868,921 200.109,922 167.319,923 139.826,926 200.109,927 35.424,928 68.378,930 203.343,931 200.109,932 167.319,933 139.826,935 0.598,936 0.361,937 0.206,938 0.113,939 24,940 12,941 0.039,942 2,943 1,944 1.091,945 3.692,946 264.84,947 0.091,948 22,949 134.606,954 19.273,955 7.408,956 3.43,958 167.319,959 8.076,964 0.759,966 128.05,967 507.254,968 39,973 12.769,975 1.273,977 -0.214,980 48.898,981 53.641,983 0.29,984 0.699,985 0.879,986 0.945,987 0.96,988 0.96,989 4.977,990 1.673,991 5.953,992 5.502,993 4.533,994 4.99,995 1.235,996 6.843,997 4.444,998 6.204,999 1.414,1000 7.565,1001 4.653,1002 4.29,1003 4.924,1004 0.325,1005 7.892,1006 4.143,1007 7.535,1008 1.365,1009 9.276,1010 3.565,1011 6.201,1012 7.18,1013 0.938,1014 11.052,1015 6.053,1016 8.899,1017 1.071,1018 11.045,1019 3.106,1020 6.735,1021 7.9,1022 0.268,1023 12.926,1024 6.541,1025 10.295,1026 0.444,1027 12.851,1028 2.745,1029 8.171,1030 9.69,1031 0.732,1032 15.627,1033 7.973,1034 11.714,1035 -0.013,1036 14.684,1037 1.154,1038 9.061,1039 10.784,1040 0.188,1041 17.847,1042 8.828,1043 13.153,1044 -0.252,1045 16.536,1046 -0.035,1047 10.323,1048 12.385,1049 0.57,1050 20.393,1051 10.077,1052 3.355,1053 -0.275,1054 18.403,1055 -0.615,1056 11.373,1057 13.663,1058 0.125,1059 22.761,1060 11.099,1061 2.991,1062 12.191,1063 20.282,1064 -0.689,1065 12.574,1066 15.182,1067 0.438,1068 25.257,1069 12.283,1070 2.836,1071 10.125,1072 22.171,1073 4.38,1074 13.697,1075 16.55,1076 0.082,1077 27.69,1078 13.381,1079 2.441,1080 9.659,1081 24.069,1082 3.939,1083 14.881,1084 18.034,1085 0.334,1086 30.173,1087 14.544,1088 2.189,1089 7.384,1090 25.972,1091 3.385,1092 16.037,1093 19.447,1094 0.054,1095 32.636,1096 15.677,1097 1.979,1098 6.377,1099 27.882,1100 2.942,1101 17.219,1102 20.917,1103 0.252,1104 35.12,1105 16.838,1106 1.829,1107 5.617,1108 29.796,1109 2.654,1110 18.393,1111 22.355,1112 0.035,1113 37.597,1114 17.99,1115 8013,1116 14218,1117 20.115,1118 32.75,1119 47.97,1120 49.277,1121 50.464,1122 47.407,1123 47.178,1124 58.757,1125 3.32,1126 144.157,1127 44.794,1128 5.68,1129 5.71,1130 6.757,1131 5.432,1132 5.355,1133 7.38,1134 1.72,1135 19.814,1136 5.274,1137 16.158,1138 1.547,1139 1.59,1140 1.628,1141 1.529,1142 1.522,1143 1.895,1144 0.107,1145 4.65,1146 1.445,1147 4.063,1148 4.072,1149 4.071,1150 3.98,1151 7.428,1152 3.989,1153 3.892,1154 3.92,1155 3.94,1156 3.837,1157 6.492,1158 3.831,1159 3.777,1160 3.816,1161 3.692,1162 3.627,1163 6.449,1164 3.633,1165 3.456,1166 3.474,1167 3.42,1168 3.323,1169 6.444,1170 3.335,1171 3.254,1172 3.324,1173 3.285,1174 3.042,1175 4.967,1176 3.046,1177 3.148,1178 3.222,1179 3.115,1180 2.945,1181 4.699,1182 2.931,1183 2.997,1184 3.011,1185 2.961,1186 2.824,1187 4.34,1188 2.828,1189 2.88,1190 2.922,1191 2.886,1192 2.784,1193 4.3,1194 2.765,1195 0.151,1196 0.12,1197 0.228,1198 0.14,1199 0.108,1200 4.68,1201 0.141,1202 3.71,1203 0.028,1204 7.072,1205 0.393,1206 4.331,1207 0.106,1208 3.355,1209 4.38,1210 0.86,1211 12.191,1212 3.274,1213 1.991,1214 1.984,1215 2.077,1216 2.1,1217 1.426,1218 2.092,1219 1.885,1220 1.863,1221 1.993,1222 1.985,1223 1.128,1224 1.992,1225 1.734,1226 1.693,1227 1.869,1228 1.891,1229 1.029,1230 1.89,1231 1.403,1232 1.383,1233 1.587,1234 1.574,1235 0.781,1236 1.569,1237 1.226,1238 1.147,1239 1.501,1240 1.477,1241 0.712,1242 1.488,1243 1.145,1244 1.071,1245 1.472,1246 1.398,1247 0.562,1248 1.427,1249 0.911,1250 0.888,1251 1.176,1252 1.173,1253 0.38,1254 1.15,1255 0.868,1256 0.824,1257 1.124,1258 1.037,1259 0.18,1260 1.072,1261 4.143,1263 5.509,1265 7.083,1267 8.758,1269 10.486,1271 1.907,1272 6.246,1276 31.412,1277 1.726,1279 6.002,1281 -1.171,1282 1.992,1289 31.691,1290 77.791,1291 187.395,1292 235.714,1293 253.323,1294 257.323,1295 257.323,1296 75.75,1297 7.763,1298 94.14,1299 94.14,1300 24,1301 12.861,1302 3.907,1303 3.17,1304 41.985,1305 89,1306 100,1307 0.23,1308 194.325,1309 349.66,1310 465.914,1311 23209,1312 2.1,1313 19.999,1314 0.714,1315 0.571,1316 20.499,1317 15.979,1318 13.363,1319 0.431,1320 0.303,1321 8.911,1322 12.577,1323 8.688,1324 7.114,1325 13.652,1326 9.385,1327 12.703,1328 0.276,1329 0.166,1330 13.073,1331 7.619,1332 10.729,1333 0.168,1334 0.088,1335 11.087,1336 5.623,1337 9.774,1338 0.109,1339 0.046,1340 10.095,1341 4.129,1342 7.63,1343 0.065,1344 0.024,1345 7.839,1346 2.889,1347 0.344,1348 87.177,1349 0.223,1350 25.805,1351 0.687,1352 154,1353 479.769,1354 183.89,1355 486.378,1356 643.28,1357 450,1358 187,1359 441.866,1360 214.054,1361 455.072,1362 675.25,1363 428,1364 5}
{0 CHEMBL436137,1 1.41,2 15.529,3 6.981,4 48.73,5 139.006,6 6.979,7 0.605,8 4.26,9 4.388,10 3.787,11 3.82,12 5.284,13 3.783,14 4.808,15 4.999,16 4.137,17 4.212,18 5.76,19 4.154,20 5.036,21 5.249,22 4.176,23 4.349,24 5.96,25 4.258,26 5.092,27 5.335,28 4.107,29 4.343,30 5.957,31 4.228,32 5.087,33 5.327,34 4.058,35 4.3,36 5.988,37 4.179,38 5.06,39 5.34,40 3.993,41 4.204,42 5.903,43 4.094,44 4.842,45 5.059,46 3.929,47 4.141,48 5.813,49 4.035,50 4.905,51 5.184,52 3.709,53 4.052,54 5.744,55 3.902,56 0.078,57 0.963,58 14.278,59 6.019,60 11.092,61 8.289,62 0.259,63 1.567,64 26.553,65 10.074,66 24.413,67 14.164,68 0.38,69 1.887,70 34.18,71 12.526,72 36.037,73 17.848,74 0.261,75 1.927,76 36.646,77 13.637,78 34.762,79 19.769,80 0.333,81 1.906,82 36.678,83 13.21,84 43.851,85 19.18,86 0.39,87 1.82,88 37.091,89 12.005,90 42.588,91 17.979,92 0.31,93 1.585,94 27.944,95 9.858,96 36.561,97 14.557,98 0.362,99 1.562,100 31.389,101 10.68,102 39.757,103 16.003,104 10,105 53,106 0.223,107 0.534,108 0.71,109 0.785,110 0.805,111 0.805,112 3.56,113 0.948,114 -5.73,115 -5.59,116 -5.21,118 43.1,119 3,120 2,124 4,138 9,139 5,140 2,142 2,146 1,161 1,167 16,170 1,171 6,173 2,175 2,178 19,181 2,182 8,184 1,186 2,188 20,192 10,197 1,199 16,204 16,206 1,208 3,211 8,215 12,220 1,223 7,227 2,228 9,233 1,235 13,239 1,240 2,243 1,245 2,247 12,252 1,257 4,260 4,264 2202,265 23.239,266 23.239,267 23.239,268 23.239,269 23.239,270 20.438,271 28.483,272 13.736,273 23.686,274 18.782,275 18.782,276 18.782,277 18.782,278 18.782,279 14.613,280 37.276,281 6.563,282 19.514,283 4.612,284 2.639,285 1.528,286 1.054,287 0.927,288 0.927,289 4.269,294 1,295 1167,296 3.082,299 112.717,300 424.343,304 161.851,307 2.678,308 18.328,311 0.75,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.84,319 71.5,320 528,321 4.605,322 3.256,323 6.749,324 4.181,325 3.19,326 4.526,327 0.86,328 10.965,329 3.165,330 4.365,331 3.05,332 6.459,333 3.932,334 2.957,335 4.074,336 0.8,337 9.979,338 2.884,339 4.059,340 2.946,341 5.6,342 3.647,343 2.689,344 3.652,345 0.4,346 7.728,347 2.576,348 3.735,349 2.828,350 5.364,351 3.47,352 2.543,353 3.175,355 7.03,356 2.355,357 3.544,358 2.667,359 5.309,360 3.313,361 2.382,362 2.812,364 6.877,365 2.215,366 3.45,367 2.224,368 5.127,369 3.043,370 2.078,371 2.779,373 6.066,374 2.002,375 3.411,376 2.147,377 5.067,378 2.972,379 1.986,380 2.577,382 5.801,383 1.955,384 3.267,385 2.093,386 4.9,387 2.879,388 1.879,389 2.524,391 5.562,392 1.879,393 3.232,394 1.947,395 4.841,396 2.814,397 1.861,398 2.481,400 5.104,401 1.763,402 2.722,403 1.612,404 3.93,405 2.381,406 1.414,407 1.828,409 3.038,410 1.361,411 2.5,412 1.267,413 3.648,414 2.234,415 1.24,416 1.5,417 3.008,418 1.232,419 2.451,420 1.207,421 3.609,422 2,423 1,424 1.449,425 2.446,426 1,427 2.426,428 1.067,429 3.414,430 1.944,431 0.982,432 1.395,433 2.275,434 0.942,435 1.995,436 1,437 3.226,438 1.864,439 0.94,440 0.977,441 2.074,442 0.86,443 1.618,444 0.744,445 3.035,446 1.591,447 0.618,448 0.618,449 1.372,450 0.6,451 16.333,452 0.48,453 0.78,454 0.023,455 44.75,456 1.316,457 23,458 0.676,459 21.75,460 0.64,461 30.324,462 0.892,463 35.867,464 0.552,465 33.131,466 0.974,467 8.617,468 0.253,469 7.947,470 0.234,471 0.092,473 0.331,478 0.827,479 1.256,480 0.837,481 1.092,482 0.832,483 0.987,484 1.063,485 1.014,486 0.864,487 0.931,488 0.708,489 0.889,490 1.185,491 1.051,492 1.046,493 1.024,494 0.985,495 1.025,496 0.971,497 1.095,498 0.955,499 1.034,500 0.95,501 1,502 1.126,503 1.203,504 1.059,505 1.125,506 1.219,507 1.096,508 1.338,509 0.854,510 0.872,511 0.709,512 1.169,513 0.735,514 0.962,515 1.228,516 1.163,517 1.164,518 1.145,519 1.171,520 0.963,521 0.875,522 1.054,523 0.927,524 1.296,525 0.977,526 6.5,527 0.177,528 3.333,529 2.347,530 1.778,531 1.108,532 0.876,533 0.375,534 0.312,535 0.2,536 20389,537 41576,538 2.145,539 47.7,540 9,541 17,544 1,546 4,549 1.752,550 2.04,551 3.841,552 -0.421,558 91.658,559 1.41,560 3.383,561 4.494,562 4.968,563 5.095,564 5.095,565 3.329,566 4.337,567 5.052,568 4.093,569 2295.9,570 8.821,571 37302.6,576 391.454,577 1.286,578 5.033,579 0.171,580 0.007,581 0.063,582 0.044,583 0.036,584 0.025,585 0.02,586 0.009,587 0.01,588 0.008,589 0.394,590 0.17,591 0.75,592 0.459,593 186.743,594 0.09,595 -0.086,596 0.076,597 -0.04,598 0.044,599 0.007,600 0.084,601 0.079,602 0.102,603 0.071,604 0.231,605 0.083,606 0.009,607 0.002,608 -0.065,609 -0.037,610 0.068,611 -0.057,612 -0.024,613 -0.102,614 0.02,615 -0.039,616 0.061,617 -0.01,618 -0.002,619 -0.207,620 -0.07,621 -0.143,622 -0.062,623 -0.121,624 -0.112,625 0.127,626 0.153,627 0.23,628 0.018,629 0.221,630 0.034,631 -0.14,632 -0.195,633 -0.194,634 -0.003,635 -0.212,637 0.118,638 -0.055,639 0.022,640 -0.148,641 -0.011,642 1.182,643 2.398,644 0.794,645 48.664,646 0.99,647 1.125,648 4.498,649 20.235,650 0.667,651 3.664,652 3.989,653 4.263,654 4.533,655 4.727,656 4.82,657 4.977,658 5.136,659 5.273,660 5.361,661 9.001,662 0.626,663 453.64,664 3.664,665 5.209,666 6.061,667 6.938,668 7.803,669 8.685,670 9.556,671 10.441,672 11.317,673 12.206,674 7.7,677 1,682 1,684 3,687 1,689 2,690 9,691 3,695 8,697 23,709 1,714 1,716 65,718 23,719 3,720 38,722 69,723 28,724 19,725 9,726 9,728 5,729 6,732 3,735 2,738 2,740 19,741 9,760 31,761 6,762 1,763 6,769 5,775 0.8,776 1,790 1,793 1,794 4,798 1,816 1,819 4,823 3,827 34,833 6,834 1,835 1,838 1,850 1.5,855 1,858 16.667,859 12.717,860 7.389,861 4.13,863 4.389,864 1.522,865 1.007,866 6.642,867 12.801,868 3.922,869 4.549,870 5.15,871 5.764,872 6.36,873 6.694,874 7.178,875 7.68,876 8.147,877 8.487,878 1,879 53,880 12.558,881 5.263,882 7.461,883 24.736,884 20.472,885 1.961,886 66.667,890 353.133,891 157.856,892 71.247,894 11,897 157.856,898 364.133,899 71.247,900 26.476,901 15.979,902 85.286,903 50.112,904 60.351,905 1.899,906 353.133,908 353.133,909 229.102,910 11,913 306.049,914 58.084,917 69.777,918 109.214,919 50.112,921 353.133,922 82.246,923 157.856,926 353.133,927 46.094,928 114.886,929 18.011,930 61.111,931 353.133,932 82.246,933 157.856,935 0.582,936 0.34,937 0.186,938 0.094,939 26,940 11,941 0.101,942 7,943 1,944 1.074,945 4.68,946 313.918,947 0.074,948 27,949 154.974,954 22.615,955 9.986,956 5.18,957 1.652,958 82.246,959 18.553,960 13.549,964 8.239,966 18.011,967 593.235,968 49.5,980 64.323,981 73.099,983 0.234,984 0.562,985 0.746,986 0.825,987 0.846,988 0.846,989 5.158,990 1.879,991 6.038,992 5.801,993 4.673,994 5.236,995 1.324,996 6.834,997 4.604,998 6.362,999 1.861,1000 7.584,1001 5.562,1002 4.205,1003 5.047,1004 0.325,1005 7.689,1006 4.107,1007 7.669,1008 1.414,1009 9.229,1010 5.104,1011 6.252,1012 7.468,1013 0.958,1014 10.797,1015 6.123,1016 9.012,1017 1.24,1018 10.933,1019 3.038,1020 6.608,1021 8.11,1022 0.268,1023 12.51,1024 6.463,1025 10.386,1026 1,1027 12.677,1028 3.008,1029 8.101,1030 10.006,1031 0.736,1032 15.134,1033 7.932,1034 11.784,1035 0.982,1036 14.449,1037 2.446,1038 8.852,1039 11.059,1040 0.188,1041 17.223,1042 8.677,1043 13.201,1044 0.94,1045 16.243,1046 2.275,1047 10.12,1048 12.73,1049 0.57,1050 19.682,1051 9.929,1052 3.19,1053 0.618,1054 18.055,1055 2.074,1056 11.066,1057 13.997,1058 0.125,1059 21.936,1060 10.874,1061 2.957,1062 10.965,1063 19.882,1064 1.372,1065 12.244,1066 15.565,1067 0.439,1068 24.337,1069 12.041,1070 2.689,1071 9.979,1072 21.721,1073 4.526,1074 13.286,1075 16.943,1076 0.082,1077 26.661,1078 13.083,1079 2.543,1080 7.728,1081 23.569,1082 4.074,1083 14.43,1084 18.465,1085 0.334,1086 29.043,1087 14.22,1088 2.382,1089 7.03,1090 25.427,1091 3.652,1092 15.519,1093 19.9,1094 0.054,1095 31.397,1096 15.308,1097 2.078,1098 6.877,1099 27.291,1100 3.175,1101 16.653,1102 21.403,1103 0.252,1104 33.775,1105 16.438,1106 1.986,1107 6.066,1108 29.161,1109 2.812,1110 17.766,1111 22.867,1112 0.035,1113 36.143,1114 17.55,1115 18794,1116 27089,1117 25.948,1118 43.381,1119 56.318,1120 56.652,1121 57.368,1122 56.334,1123 56.325,1124 73.711,1125 4.12,1126 160.697,1127 54.344,1128 5.564,1129 5.256,1130 6.407,1131 5.267,1132 5.19,1133 7.526,1134 1.72,1135 17.862,1136 5.165,1137 13.666,1138 1.482,1139 1.491,1140 1.51,1141 1.482,1142 1.482,1143 1.94,1144 0.108,1145 4.229,1146 1.43,1147 4.105,1148 4.137,1149 4.074,1150 4.034,1151 5.167,1152 4.037,1153 3.923,1154 3.958,1155 3.864,1156 3.833,1157 4.848,1158 3.837,1159 3.876,1160 3.925,1161 3.815,1162 3.787,1163 4.747,1164 3.789,1165 3.83,1166 3.878,1167 3.71,1168 3.677,1169 4.453,1170 3.675,1171 3.447,1172 3.508,1173 3.372,1174 3.234,1175 4.38,1176 3.259,1177 3.363,1178 3.434,1179 3.216,1180 3.172,1181 4.263,1182 3.176,1183 3.266,1184 3.35,1185 3.067,1186 3.125,1187 4.122,1188 3.101,1189 3.19,1190 3.262,1191 3.047,1192 3.061,1193 3.966,1194 3.046,1195 0.121,1196 0.086,1197 0.178,1198 0.11,1199 0.084,1200 4.605,1201 0.119,1202 3.256,1203 0.023,1204 6.749,1205 0.289,1206 4.181,1207 0.083,1208 3.19,1209 4.526,1210 0.86,1211 10.965,1212 3.165,1213 2.053,1214 2.031,1215 2.127,1216 2.144,1217 1.291,1218 2.135,1219 1.893,1220 1.866,1221 1.998,1222 2.007,1223 1.211,1224 2.007,1225 1.846,1226 1.819,1227 1.959,1228 1.95,1229 1.152,1230 1.955,1231 1.591,1232 1.517,1233 1.86,1234 1.828,1235 1.09,1236 1.834,1237 1.577,1238 1.507,1239 1.826,1240 1.751,1241 1.05,1242 1.793,1243 1.332,1244 1.266,1245 1.639,1246 1.579,1247 0.787,1248 1.569,1249 1.303,1250 1.226,1251 1.556,1252 1.507,1253 0.719,1254 1.557,1255 1.21,1256 1.144,1257 1.509,1258 1.446,1259 0.609,1260 1.468,1261 4.344,1263 5.666,1264 2.398,1265 7.18,1266 4.443,1267 8.786,1268 6.26,1269 10.443,1271 6.359,1277 6.698,1278 3.267,1279 5.898,1282 2.451,1289 40.67,1290 91.658,1291 219.892,1292 292.131,1293 322.925,1294 331.189,1295 331.189,1296 45.082,1297 8.412,1298 63.17,1299 63.17,1300 29,1301 12.738,1302 4.585,1303 3.644,1304 50.511,1305 184,1306 188,1307 0.132,1308 248.155,1309 422.31,1310 597.259,1311 63294,1313 23.493,1314 0.691,1315 0.592,1316 23.493,1317 20.136,1318 16.564,1319 0.436,1320 0.316,1321 11.881,1322 16.07,1323 11.481,1324 9.572,1325 16.564,1326 12.006,1327 14.978,1328 0.283,1329 0.172,1330 14.978,1331 9.11,1332 12.678,1333 0.181,1334 0.093,1335 12.678,1336 6.506,1337 10.873,1338 0.118,1339 0.052,1340 10.873,1341 4.742,1342 8.262,1343 0.074,1344 0.024,1345 8.262,1346 2.737,1347 0.216,1348 102.627,1349 0.196,1350 32.355,1351 0.338,1352 182,1353 448.649,1354 195.34,1355 443.669,1356 629.8,1357 420,1358 214,1359 486.1,1360 228.202,1361 495.874,1362 723.87,1363 467,1364 7.194}
{0 CHEMBL440084,1 1.606,2 10.207,3 3.447,4 11.883,5 105.223,6 8.543,7 0.697,8 3.957,9 4.051,10 3.643,11 3.535,12 5.176,13 3.553,14 4.434,15 4.545,16 4.02,17 3.915,18 5.695,19 3.921,20 4.594,21 4.749,22 4.013,23 3.993,24 5.775,25 3.97,26 4.636,27 4.811,28 3.971,29 3.955,30 5.818,31 3.931,32 4.634,33 4.841,34 3.904,35 3.946,36 5.704,37 3.9,38 4.537,39 4.718,40 3.938,41 3.936,42 5.626,43 3.901,44 4.564,45 4.719,46 3.968,47 3.968,48 5.784,49 3.929,50 4.65,51 4.842,52 3.824,53 3.933,54 5.743,55 3.866,56 0.091,57 0.655,58 6.777,59 3.634,60 10.769,61 3.86,62 0.358,63 1.025,64 12.66,65 6.118,66 30.868,67 6.582,68 0.281,69 1.217,70 16.452,71 7.467,72 30.44,73 8.617,74 0.381,75 1.307,76 18.12,77 7.115,78 39.711,79 8.049,80 0.402,81 1.283,82 20.227,83 7.627,84 41.858,85 9.495,86 0.301,87 1.153,88 16.713,89 7.191,90 25.33,91 9.034,92 0.409,93 1.179,94 15.762,95 7.249,96 34.503,97 8.666,98 0.37,99 1.215,100 20.011,101 8.451,102 36.154,103 10.198,104 6,105 47,106 0.27,107 0.585,108 0.727,109 0.843,110 0.879,111 0.879,112 3.409,113 0.819,114 -3.52,115 -3.5,116 -3.34,118 48.9,125 1,138 10,139 3,140 2,141 1,142 2,148 1,153 1,156 1,158 1,159 1,160 1,167 11,170 1,171 7,172 1,173 2,175 2,178 9,180 1,182 11,184 1,186 6,188 4,190 2,191 1,192 9,197 7,199 2,201 2,203 1,204 6,208 4,211 8,213 1,214 1,215 4,218 1,223 14,227 2,228 4,230 1,231 3,232 1,234 1,235 15,239 1,240 6,247 10,252 7,257 1,260 4,262 1,264 1410,265 20.016,266 20.016,267 20.016,268 20.016,269 20.016,270 17.268,271 9.425,272 11.747,273 20.301,274 16.319,275 16.319,276 16.319,277 16.319,278 16.319,279 12.105,280 10.192,281 5.588,282 16.805,283 3.886,284 2.017,285 1.174,286 0.48,287 0.267,288 0.267,289 4.121,292 1,293 1,294 1,295 661,296 2.739,299 145.328,300 257.096,303 117.324,307 1.539,308 27.491,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 63,320 296,321 4.579,322 3.5,323 6.753,324 4.181,325 3.216,326 4.316,327 1.392,328 11.107,329 3.103,330 4.266,331 3.33,332 6.197,333 3.871,334 2.912,335 3.898,336 0.98,337 9.258,338 2.832,339 4.169,340 3.163,341 6.09,342 3.79,343 2.799,344 3.757,345 0.532,346 8.836,347 2.726,348 3.913,349 2.699,350 5.879,351 3.55,352 2.562,353 3.388,355 8.04,356 2.525,357 3.745,358 2.459,359 5.714,360 3.362,361 2.392,362 3.149,364 7.621,365 2.31,366 3.296,367 2.074,368 4.752,369 2.814,370 1.84,371 2.62,373 5.082,374 1.787,375 2.998,376 1.991,377 4.378,378 2.514,379 1.534,380 2.177,382 4.219,383 1.501,384 2.886,385 1.854,386 4.271,387 2.478,388 1.527,389 2.025,391 3.759,392 1.439,393 2.736,394 1.658,395 3.937,396 2.267,397 1.277,398 1.787,400 3.112,401 1.258,402 2.5,403 1.385,404 3.713,405 2.092,406 1.096,407 1.5,409 2.65,410 1.088,411 2.5,412 1.04,413 3.458,414 2,415 1,416 1.5,417 2.327,418 1,419 2.462,420 1,421 3.428,422 1.959,423 1,424 1.415,425 2.275,426 0.956,427 2.293,428 1,429 3.414,430 1.894,431 0.912,432 1.208,433 2.157,434 0.892,435 2.156,436 0.823,437 3.247,438 1.718,439 0.787,440 1.097,441 2.136,442 0.731,443 1.628,444 0.688,445 3.034,446 1.319,447 0.39,448 0.468,449 0.975,450 0.359,451 13.6,452 0.469,453 0.657,454 0.023,455 44,456 1.517,457 24.5,458 0.845,459 19.5,460 0.672,461 18.84,462 0.65,463 29,464 0.644,465 33.225,466 1.146,467 8.944,468 0.308,469 5.242,470 0.181,471 0.054,473 0.368,478 0.866,479 1.081,480 0.673,481 0.9,482 0.77,483 0.766,484 0.921,485 1.038,486 0.805,487 0.92,488 0.613,489 0.862,490 0.909,491 1.175,492 0.938,493 1.071,494 0.884,495 1.025,496 1.106,497 1.176,498 1.114,499 1.021,500 1.057,501 1.043,502 0.834,503 0.945,504 0.952,505 0.835,506 0.844,507 0.882,508 0.583,509 0.99,510 0.788,511 0.921,512 0.441,513 0.894,514 0.617,515 0.918,516 0.972,517 1.055,518 0.543,519 1.084,520 0.926,521 0.974,522 1.116,523 1.133,524 0.861,525 1.156,526 5,527 0.123,528 3.556,529 1.542,530 1.532,531 1.153,532 0.513,533 0.323,534 0.36,535 0.249,536 10909,537 32410,538 2.193,539 35.6,541 10,542 2,543 1,544 3,549 1.725,550 2.096,551 3.32,552 0.891,554 1,558 72.271,559 1.606,560 3.474,561 4.318,562 5.012,563 5.225,564 5.225,565 2.767,566 4.306,567 4.825,568 3.507,569 1423.8,570 8.438,571 18918.4,573 1,575 1,576 247.133,577 1.247,578 4.809,579 0.152,580 0.006,581 0.076,582 0.034,583 0.036,584 0.028,585 0.012,586 0.008,587 0.01,588 0.009,589 0.369,590 0.33,591 0.88,592 0.601,593 145.519,594 -0.102,595 -0.021,596 0.032,597 0.016,598 -0.152,599 0.053,600 0.074,601 -0.02,602 -0.005,603 0.016,604 0.084,605 -0.011,606 -0.082,607 -0.168,608 -0.066,609 -0.117,610 -0.032,611 -0.099,612 -0.194,613 -0.105,614 -0.198,615 -0.104,616 -0.147,617 -0.139,618 -0.07,619 0.09,620 0.024,621 0.124,622 -0.082,623 0.108,624 0.095,625 0.02,626 0.118,627 0.049,628 0.066,629 0.082,630 0.187,631 0.101,632 -0.107,633 -0.103,634 0.105,635 -0.159,636 -0.05,637 -0.03,638 -0.133,639 -0.133,640 -0.085,641 -0.141,642 2.133,643 4.338,644 0.897,645 27.581,646 1.015,647 1.114,648 2.293,649 5.256,650 0.71,651 3.526,652 3.871,653 4.19,654 4.477,655 4.718,656 4.898,657 5.1,658 5.263,659 5.434,660 5.572,661 6.293,662 0.698,663 384.42,664 3.526,665 5.081,666 5.953,667 6.843,668 7.732,669 8.63,670 9.527,671 10.43,672 11.332,673 12.238,674 8.9,681 1,682 1,684 2,690 11,691 2,692 1,695 9,697 23,703 1,714 2,716 45,718 24,719 2,720 33,722 49,723 22,724 20,725 5,726 7,727 1,728 5,729 6,740 21,741 1,744 1,749 1,753 1,756 1,757 1,760 16,761 6,762 3,763 7,766 1,769 4,775 0.8,776 3,787 1,793 2,794 3,797 1,819 4,827 29,828 1,833 1,835 2,850 6.7,853 1,855 2,858 13.833,859 8.15,860 6.25,861 2.508,863 3.474,864 1.439,865 1.054,866 4.355,867 11.38,868 3.839,869 4.474,870 5.113,871 5.728,872 6.292,873 6.697,874 7.21,875 7.665,876 8.151,877 8.584,878 0.857,879 46,880 10.65,881 4.635,882 7.799,883 20.075,884 16.64,885 2.299,886 66.667,889 1,890 153.024,891 145.807,892 83.254,894 47.145,897 145.807,898 200.169,899 83.254,901 39.547,902 94.762,903 77.52,904 73.39,905 26.299,906 117.711,908 153.024,909 229.06,910 47.145,913 153.024,914 47.145,917 73.222,918 122.267,919 33.571,921 153.024,922 130.398,923 145.807,926 153.024,927 41.997,928 103.81,929 16.786,930 113.613,931 153.024,932 130.398,933 145.807,935 0.586,936 0.346,937 0.186,938 0.099,939 25,940 10,941 0.082,942 4,943 1,944 1.077,945 4.089,946 271.172,947 0.077,948 26,949 136.881,954 17.619,955 7.169,956 3.29,958 113.613,959 20.149,960 9.283,961 3.367,964 6.527,966 49.683,967 429.229,968 45.5,973 11.338,977 -0.466,980 45.691,981 50.113,983 0.292,984 0.633,985 0.786,986 0.913,987 0.951,988 0.951,989 5.074,990 1.527,991 5.938,992 4.219,993 4.554,994 5.162,995 1.996,996 6.767,997 4.496,998 6.291,999 1.277,1000 7.505,1001 3.759,1002 4.111,1003 4.902,1005 7.689,1006 4.028,1007 7.603,1008 1.096,1009 9.173,1010 3.112,1011 6.163,1012 7.376,1013 2.352,1014 10.803,1015 6.047,1016 8.953,1017 1,1018 10.901,1019 2.65,1020 6.581,1021 7.965,1023 12.567,1024 6.43,1025 10.336,1026 1,1027 12.668,1028 2.327,1029 8.07,1030 9.87,1031 2.853,1032 15.179,1033 7.894,1034 11.742,1035 0.912,1036 14.46,1037 2.275,1038 8.868,1039 10.856,1041 17.28,1042 8.652,1043 13.165,1044 0.787,1045 16.27,1046 2.157,1047 10.135,1048 12.511,1049 3.428,1050 19.729,1051 9.893,1052 3.216,1053 0.39,1054 18.093,1055 2.136,1056 11.109,1057 13.703,1059 21.981,1060 10.827,1061 2.912,1062 11.107,1063 19.925,1064 0.975,1065 12.288,1066 15.24,1067 4.044,1068 24.378,1069 11.977,1070 2.799,1071 9.258,1072 21.766,1073 4.316,1074 13.346,1075 16.543,1077 26.702,1078 12.995,1079 2.562,1080 8.836,1081 23.612,1082 3.898,1083 14.493,1084 18.024,1085 4.682,1086 29.089,1087 14.11,1088 2.392,1089 8.04,1090 25.464,1091 3.757,1092 15.592,1093 19.388,1095 31.449,1096 15.171,1097 1.84,1098 7.621,1099 27.321,1100 3.388,1101 16.73,1102 20.845,1103 5.331,1104 33.836,1105 16.275,1106 1.534,1107 5.082,1108 29.183,1109 3.149,1110 17.851,1111 22.244,1113 36.216,1114 17.358,1115 10098,1116 17533,1117 22.77,1118 31.955,1119 50.891,1120 51.657,1121 51.076,1122 50.439,1123 50.49,1124 68.61,1125 5.806,1126 147.111,1127 49.016,1128 5.403,1129 5.5,1130 6.555,1131 5.235,1132 5.216,1133 7.316,1134 2.783,1135 18.299,1136 5.103,1137 10.353,1138 1.542,1139 1.565,1140 1.548,1141 1.528,1142 1.53,1143 2.079,1144 0.176,1145 4.458,1146 1.485,1147 4.096,1148 4.13,1149 4.066,1150 3.989,1151 7.437,1152 4.003,1153 3.913,1154 3.927,1155 3.867,1156 3.838,1157 5.077,1158 3.84,1159 3.851,1160 3.881,1161 3.8,1162 3.746,1163 4.958,1164 3.754,1165 3.654,1166 3.699,1167 3.602,1168 3.48,1169 4.896,1170 3.506,1171 3.323,1172 3.366,1173 3.253,1174 3.085,1175 4.793,1176 3.121,1177 3.229,1178 3.273,1179 3.12,1180 2.967,1181 4.566,1182 2.999,1183 2.854,1184 2.925,1185 2.737,1186 2.735,1187 4.262,1188 2.716,1189 2.853,1190 2.906,1191 2.705,1192 2.723,1193 3.969,1194 2.715,1195 0.139,1196 0.106,1197 0.205,1198 0.127,1199 0.097,1200 4.579,1201 0.131,1202 3.5,1203 0.042,1204 6.753,1205 0.337,1206 4.181,1207 0.094,1208 3.216,1209 4.316,1210 1.392,1211 11.107,1212 3.103,1213 1.925,1214 1.902,1215 2.017,1216 2.022,1217 1.115,1218 2.02,1219 1.908,1220 1.888,1221 1.986,1222 1.998,1223 1.109,1224 1.996,1225 1.805,1226 1.774,1227 1.913,1228 1.912,1229 0.957,1230 1.914,1231 1.377,1232 1.329,1233 1.492,1234 1.636,1235 0.581,1236 1.597,1237 1.276,1238 1.25,1239 1.441,1240 1.522,1241 0.557,1242 1.489,1243 1.154,1244 1.12,1245 1.373,1246 1.469,1247 0.394,1248 1.445,1249 1.033,1250 0.969,1251 1.212,1252 1.33,1253 0.218,1254 1.299,1255 0.886,1256 0.821,1257 1.181,1258 1.062,1259 0.166,1260 1.107,1261 4.205,1263 5.541,1264 3.045,1265 7.071,1266 5.352,1267 8.683,1268 7.424,1269 10.34,1275 5.335,1277 0.212,1279 10.922,1289 31.391,1290 72.271,1291 156.351,1292 194.304,1293 225.524,1294 235.133,1295 235.133,1296 38.504,1297 7.905,1298 103.12,1299 103.12,1300 28,1301 12.757,1302 4.644,1303 3.755,1304 39.355,1305 106,1306 118,1307 0.178,1308 188.872,1309 322.45,1310 452.608,1311 27488,1313 19.794,1314 0.683,1315 0.526,1316 19.794,1317 15.254,1318 14.187,1319 0.43,1320 0.273,1321 8.867,1322 13.641,1323 8.719,1324 7.194,1325 14.187,1326 9.005,1327 12.9,1328 0.274,1329 0.139,1330 12.9,1331 6.534,1332 11.317,1333 0.174,1334 0.073,1335 11.317,1336 4.714,1337 9.587,1338 0.11,1339 0.037,1340 9.587,1341 3.251,1342 7.632,1343 0.069,1344 0.02,1345 7.632,1346 2.173,1347 0.273,1348 89.073,1349 0.21,1350 27.219,1351 0.506,1352 160,1353 492.142,1354 176.432,1355 474.217,1356 659.21,1357 446,1358 192,1359 495.926,1360 208.796,1361 502.129,1362 741.03,1363 473,1364 5}
{0 CHEMBL443906,1 1.599,2 9.64,3 3.724,4 13.87,5 98.139,6 9.309,7 0.897,8 3.777,9 3.882,10 3.594,11 3.437,12 4.968,13 3.418,14 4.232,15 4.359,16 3.998,17 3.828,18 5.414,19 3.788,20 4.382,21 4.558,22 3.954,23 3.857,24 5.487,25 3.781,26 4.343,27 4.533,28 3.818,29 3.776,30 5.407,31 3.681,32 4.224,33 4.416,34 3.65,35 3.667,36 5.268,37 3.586,38 4.168,39 4.338,40 3.62,41 3.662,42 5.245,43 3.59,44 4.224,45 4.425,46 3.576,47 3.612,48 5.256,49 3.519,50 4.1,51 4.328,52 3.491,53 3.426,54 5.109,55 3.322,56 0.045,57 0.614,58 4.763,59 2.727,60 5.364,61 2.766,62 0.173,63 1.006,64 8.904,65 4.53,66 12.569,67 4.718,68 0.2,69 1.13,70 14.095,71 6.238,72 18.525,73 6.772,74 0.241,75 1.097,76 17.794,77 6.698,78 18.933,79 6.811,80 0.209,81 0.946,82 13.948,83 5.318,84 17.243,85 5.569,86 0.109,87 0.862,88 11.605,89 5.135,90 12.676,91 5.704,92 0.153,93 0.911,94 11.816,95 5.269,96 16.279,97 6.308,98 0.162,99 0.82,100 12.901,101 5.083,102 16.413,103 6.042,105 41,106 0.278,107 0.58,108 0.77,109 0.883,110 0.905,111 0.905,112 3.267,113 0.885,114 -4.81,115 -4.72,116 -4.43,118 48.6,138 8,139 1,140 1,142 2,143 1,144 1,148 1,155 1,156 2,167 7,170 1,171 3,173 3,175 2,178 8,181 2,182 4,184 1,186 2,188 7,192 4,195 2,196 1,197 1,199 4,204 5,206 1,208 1,211 7,215 5,220 2,223 6,227 1,228 4,233 4,235 4,239 1,240 2,245 3,247 2,251 1,252 3,255 1,257 1,264 832,265 17.602,266 17.602,267 17.602,268 17.602,269 17.602,270 14.647,271 9.487,272 10.444,273 18.137,274 14.391,275 14.391,276 14.391,277 14.391,278 14.391,279 9.997,280 17.5,281 4.994,282 15.314,283 3.61,284 1.871,285 0.777,286 0.129,289 3.988,292 1,293 1,294 1,295 554,296 2.236,299 96.437,300 195.9,303 185.769,307 1.603,308 14.105,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 53,320 241,321 4.525,322 3.13,323 6.522,324 4.019,325 3.082,326 4.461,327 0.4,328 10.264,329 2.897,330 4.503,331 3.054,332 6.378,333 3.972,334 3.042,335 4.438,337 9.91,338 2.822,339 4.095,340 2.713,341 5.936,342 3.646,343 2.672,344 3.736,346 8.405,347 2.592,348 3.648,349 2.386,350 5.422,351 3.244,352 2.3,353 3.033,355 7.054,356 2.166,357 3.379,358 1.982,359 5.025,360 2.869,361 1.936,362 2.759,364 5.766,365 1.798,366 3.048,367 1.548,368 4.414,369 2.492,370 1.548,371 2.321,373 4.312,374 1.477,375 3.032,376 1.532,377 4.253,378 2.452,379 1.532,380 2.298,382 3.827,383 1.398,384 2.993,385 1.526,386 4.089,387 2.451,388 1.512,389 2.226,391 3.628,392 1.393,393 2.749,394 1.295,395 3.594,396 2.257,397 1.278,398 1.863,400 2.872,401 1.246,402 2.5,403 1,404 3.481,405 1.95,406 1,407 1.5,409 2.464,410 0.937,411 2.5,412 1,413 3.412,414 1.917,415 1,416 1.5,417 2.234,418 0.915,419 2.09,420 0.72,421 3.249,422 1.565,423 0.656,424 0.92,425 1.675,426 0.595,427 1.847,428 0.347,429 3,430 1.239,431 0.347,432 0.521,433 0.86,434 0.304,435 1.297,436 0.064,437 2.769,438 0.883,439 -0.044,440 -0.057,441 -0.113,442 -0.04,443 0.866,444 -0.513,445 2.522,446 0.403,447 -0.558,448 -0.764,449 -1.381,450 -0.533,451 12.233,452 0.489,453 0.479,454 0.019,455 40,456 1.6,457 22.5,458 0.9,459 17.5,460 0.7,461 15.278,462 0.611,463 23.767,464 0.642,465 25.199,466 1.008,467 7.717,468 0.309,469 4.648,470 0.186,473 0.327,478 0.998,479 1.146,480 0.655,481 0.777,482 0.873,483 0.71,484 0.793,485 0.97,486 0.805,487 0.89,488 0.867,489 0.854,490 0.918,491 1.017,492 0.987,493 0.995,494 0.855,495 0.982,496 1.076,497 0.969,498 1.387,499 1.184,500 0.978,501 1.044,502 1.191,503 0.851,504 1.169,505 0.99,506 1.153,507 0.991,508 0.923,509 1.056,510 1.045,511 1.086,512 0.962,513 1.073,514 0.855,515 1.046,516 0.883,517 1.043,518 1.002,519 1.165,520 0.904,521 1.047,522 0.864,523 0.971,524 0.922,525 0.992,526 4,527 0.078,528 2.444,529 1.354,530 1.143,531 0.361,532 0.354,533 0.202,534 0.135,535 0.11,536 8175,537 22710,538 2.277,539 32.4,541 8,543 2,544 2,549 1.678,550 2.239,551 3.288,552 0.312,554 1,558 59.162,559 1.599,560 3.339,561 4.432,562 5.081,563 5.209,564 5.209,565 2.695,566 4.324,567 4.621,568 3.454,569 1036.22,570 7.977,571 12492.4,572 1,573 1,575 1,576 192.75,577 0.904,578 4.616,579 0.138,580 0.005,581 0.06,582 0.036,583 0.035,584 0.012,585 0.012,586 0.008,587 0.006,588 0.006,589 0.317,590 0.33,591 0.88,593 120.362,594 -0.141,595 -0.13,596 0.046,597 0.032,598 -0.134,599 0.039,600 0.167,601 0.069,602 0.027,603 -0.011,604 -0.004,605 -0.063,606 0.063,607 -0.021,608 0.006,609 -0.012,610 0.091,611 -0.048,612 -0.031,613 0.053,614 -0.183,615 -0.072,616 0.006,617 -0.057,618 -0.208,619 0.138,620 -0.17,622 -0.18,623 -0.025,624 -0.127,625 -0.128,626 -0.167,627 -0.15,628 -0.102,629 -0.122,630 0.014,631 -0.136,632 -0.022,633 -0.129,634 -0.075,635 -0.161,636 0.097,637 -0.11,638 0.206,639 0.062,640 0.108,641 0.088,642 0.993,643 1.721,644 0.96,645 19.331,646 1.009,647 1.112,648 3.577,649 12.797,650 0.756,651 3.401,652 3.738,653 4.06,654 4.369,655 4.564,656 4.635,657 4.779,658 4.934,659 4.942,660 5.069,661 6.034,662 0.727,663 344.43,664 3.401,665 4.949,666 5.82,667 6.708,668 7.591,669 8.483,670 9.37,671 10.262,672 11.151,673 12.043,674 16.2,682 2,684 4,689 4,690 10,691 4,692 1,694 1,695 4,697 26,709 1,716 37,718 26,719 2,720 29,722 41,723 18,724 18,725 4,726 8,728 5,729 7,740 18,757 1,760 12,761 5,762 2,763 7,764 1,766 1,769 6,775 0.6,788 1,793 2,794 3,797 2,819 3,821 1,827 25,834 1,844 1,858 11.167,859 6.8,860 5.361,861 2.11,863 5.176,864 1.657,865 1.104,866 3.423,867 13.056,868 3.761,869 4.454,870 5.143,871 5.811,872 6.337,873 6.69,874 7.156,875 7.635,876 7.848,877 8.292,878 1,879 38,880 9.154,881 3.964,882 7.587,883 17.581,884 14.708,885 2.087,886 52.167,890 117.711,891 140.274,892 101.938,896 31.278,897 108.996,898 117.711,899 101.938,902 75.81,903 101.948,904 53.645,905 3.074,906 125.447,908 117.711,909 210.935,911 31.278,913 117.711,917 58.967,918 84.826,919 67.142,920 31.278,921 117.711,922 101.938,923 140.274,926 117.711,927 47.227,928 93.047,929 34.796,930 67.142,931 117.711,932 101.938,933 140.274,935 0.581,936 0.348,937 0.2,938 0.104,939 23,940 8,941 0.073,942 3,943 2,944 1.167,945 3.884,946 218.832,947 0.167,948 24,949 114.096,950 1,954 14.495,955 5.904,956 2.647,957 3.632,958 85.153,959 19.429,960 17.441,961 2.987,963 1.687,964 3.67,966 34.796,967 359.923,968 42,980 37.338,981 41.155,983 0.307,984 0.641,985 0.851,986 0.975,987 1,988 1,989 4.973,990 1.512,991 5.79,992 3.827,993 4.419,994 5.142,995 0.278,996 6.605,997 4.296,998 6.202,999 1.278,1000 7.34,1001 3.628,1002 3.892,1003 4.913,1005 7.466,1006 3.711,1007 7.518,1008 1,1009 8.991,1010 2.872,1011 6.009,1012 7.463,1013 0.05,1014 10.591,1015 5.771,1016 8.877,1017 1,1018 10.702,1019 2.464,1020 6.365,1021 8.143,1023 12.31,1024 6.051,1025 10.269,1026 0.656,1027 12.453,1028 2.234,1029 7.892,1030 10.083,1031 0.008,1032 14.909,1033 7.534,1034 11.686,1035 0.347,1036 14.231,1037 1.675,1038 8.655,1039 11.192,1041 16.967,1042 8.213,1043 13.122,1044 -0.044,1045 16.027,1046 0.86,1047 9.938,1048 12.875,1049 0.001,1050 19.383,1051 9.452,1052 3.082,1053 -0.558,1054 17.837,1055 -0.113,1056 10.891,1057 14.188,1059 21.583,1060 10.32,1061 3.042,1062 10.264,1063 19.657,1064 -1.381,1065 12.071,1066 15.76,1068 23.932,1069 11.45,1070 2.672,1071 9.91,1072 21.485,1073 4.461,1074 13.111,1075 17.167,1077 26.193,1078 12.409,1079 2.3,1080 8.405,1081 23.318,1082 4.438,1083 14.25,1084 18.691,1086 28.518,1087 13.491,1088 1.936,1089 7.054,1090 25.157,1091 3.736,1092 15.329,1093 20.142,1095 30.806,1096 14.493,1097 1.548,1098 5.766,1099 26.999,1100 3.033,1101 16.452,1102 21.646,1104 33.123,1105 15.554,1106 1.532,1107 4.312,1108 28.844,1109 2.759,1110 17.55,1111 23.118,1113 35.424,1114 16.579,1115 7327,1116 12374,1117 20.572,1118 27.966,1119 44.161,1120 43.824,1121 44.03,1122 43.758,1123 43.811,1124 63.152,1125 0.8,1126 126.544,1127 41.084,1128 5.302,1129 5.13,1130 6.204,1131 5.129,1132 5.082,1133 7.461,1134 0.8,1135 17.114,1136 4.897,1138 1.523,1139 1.511,1140 1.518,1141 1.509,1142 1.511,1143 2.178,1144 0.028,1145 4.364,1146 1.417,1147 4.102,1148 4.143,1149 4.33,1150 4.077,1151 5.195,1152 4.036,1153 4.038,1154 4.07,1155 4.042,1156 3.875,1157 4.986,1158 3.904,1159 3.84,1160 3.872,1161 3.787,1162 3.768,1163 4.713,1164 3.77,1165 3.341,1166 3.416,1167 3.439,1168 3.273,1169 4.557,1170 3.217,1171 3.267,1172 3.313,1173 3.241,1174 3.041,1175 4.268,1176 3.076,1177 3.019,1178 3.101,1179 2.945,1180 2.815,1181 4.099,1182 2.829,1183 2.884,1184 2.94,1185 2.859,1186 2.793,1187 3.72,1188 2.769,1189 2.783,1190 2.841,1191 2.665,1192 2.69,1193 3.707,1194 2.675,1195 0.156,1196 0.108,1197 0.225,1198 0.139,1199 0.106,1200 4.525,1201 0.154,1202 3.13,1203 0.014,1204 6.522,1205 0.354,1206 4.019,1207 0.1,1208 3.082,1209 4.461,1210 0.4,1211 10.264,1212 2.897,1213 1.92,1214 1.896,1215 2.007,1216 2.039,1217 1.123,1218 2.025,1219 1.898,1220 1.878,1221 1.977,1222 1.964,1223 1.09,1224 1.979,1225 1.754,1226 1.711,1227 1.801,1228 1.915,1229 0.841,1230 1.9,1231 1.354,1232 1.276,1233 1.508,1234 1.659,1235 0.461,1236 1.623,1237 1.246,1238 1.228,1239 1.265,1240 1.345,1241 0.405,1242 1.361,1243 0.942,1244 0.886,1245 1.176,1246 1.181,1247 0.21,1248 1.185,1249 0.917,1250 0.872,1251 1.101,1252 1.071,1253 0.187,1254 1.054,1255 0.834,1256 0.778,1257 1.02,1258 1.006,1259 0.173,1260 1.051,1261 4.078,1263 5.407,1264 3.045,1265 6.932,1266 5.352,1267 8.545,1268 7.424,1269 10.202,1278 3.32,1289 26.896,1290 59.162,1291 123.53,1292 163.995,1293 187.995,1294 192.75,1295 192.75,1296 24.02,1297 7.88,1298 79.38,1299 107.62,1300 28,1301 12.571,1302 4.755,1303 3.807,1304 32.169,1305 92,1306 73,1307 0.171,1308 166.161,1309 259.13,1310 397.193,1311 31568,1313 16.64,1314 0.666,1315 0.551,1316 16.993,1317 13.787,1318 12.365,1319 0.426,1320 0.295,1321 7.712,1322 11.537,1323 7.512,1324 6.212,1325 12.774,1326 8.555,1327 11.11,1328 0.271,1329 0.16,1330 11.753,1331 6.545,1332 9.877,1333 0.173,1334 0.087,1335 10.698,1336 4.969,1337 8.76,1338 0.112,1339 0.047,1340 9.648,1341 3.68,1342 6.966,1343 0.073,1344 0.026,1345 7.766,1346 2.47,1347 0.268,1348 80.907,1349 0.22,1350 24.235,1351 0.47,1352 140,1353 388.107,1354 177.392,1355 408.421,1356 581.42,1357 386,1358 168,1359 435.179,1360 203.763,1361 459.389,1362 677.97,1363 434,1364 6.076}
{0 CHEMBL445162,1 1.946,2 10.607,3 4.17,4 17.39,5 104.281,6 9.742,7 0.581,8 3.918,9 3.993,10 3.836,11 3.505,12 5.085,13 3.494,14 4.43,15 4.532,16 4.142,17 3.858,18 5.845,19 3.852,20 4.596,21 4.738,22 4.152,23 3.93,24 5.885,25 3.901,26 4.593,27 4.746,28 4.103,29 3.868,30 5.846,31 3.831,32 4.571,33 4.761,34 4.054,35 3.816,36 5.828,37 3.773,38 4.473,39 4.652,40 3.93,41 3.747,42 5.661,43 3.701,44 4.397,45 4.577,46 3.908,47 3.648,48 5.732,49 3.605,50 4.283,51 4.473,52 3.68,53 3.538,54 5.451,55 3.475,56 0.186,57 0.664,58 6.776,59 4.073,60 18.205,61 3.586,62 0.606,63 1.035,64 15.082,65 6.944,66 54.498,67 6.428,68 0.656,69 1.174,70 19.35,71 7.703,72 57.66,73 7.252,74 0.721,75 1.147,76 21.069,77 7.795,78 55.743,79 7.807,80 0.752,81 1.124,82 22.403,83 7.506,84 56.726,85 8.061,86 0.597,87 1.013,88 21.064,89 6.843,90 56.101,91 7.547,92 0.655,93 0.951,94 16.672,95 5.965,96 51.44,97 6.785,98 0.489,99 0.855,100 16.501,101 5.802,102 34.506,103 6.347,104 18,105 45,106 0.334,107 0.654,108 0.801,109 0.895,110 0.895,111 0.895,112 3.375,113 1.009,114 -3.8,115 -3.76,116 -3.57,118 41.9,123 1,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 3,171 3,173 3,175 3,178 4,182 6,184 1,186 3,188 2,192 8,195 2,196 1,197 3,203 1,204 8,206 2,211 2,214 1,215 4,220 2,223 3,227 5,228 2,231 1,233 3,235 1,239 1,240 1,243 1,245 2,247 1,252 4,255 2,260 4,264 1146,265 18.574,266 18.574,267 18.574,268 18.574,269 18.574,270 16.021,271 26.892,272 10.782,273 19.311,274 15.34,275 15.34,276 15.34,277 15.34,278 15.34,279 11.43,280 44.646,281 5.143,282 16.657,283 3.481,284 1.611,285 0.754,286 0.204,287 0.204,288 0.204,289 4.069,290 1,293 1,294 1,295 646,296 3.464,299 61.573,300 255.026,303 114.249,307 1.735,308 38.144,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 62.333,320 297,321 4.805,322 5.18,323 7.116,324 4.187,325 3.32,326 4.665,327 2.95,328 11.69,329 2.93,330 4.489,331 3.486,332 6.684,333 4.082,334 3.145,335 4.173,336 1.392,337 10.781,338 2.858,339 4.1,340 2.953,341 5.724,342 3.657,343 2.734,344 3.694,345 0.532,346 8.064,347 2.518,348 3.844,349 2.882,350 5.605,351 3.399,352 2.451,353 3.391,354 0.4,355 7.4,356 2.316,357 3.617,358 2.682,359 5.325,360 3.199,361 2.291,362 2.943,363 0.4,364 6.819,365 2.043,366 3.325,367 2.438,368 4.891,369 2.882,370 1.96,371 2.594,373 5.642,374 1.785,375 3.059,376 2.129,377 4.617,378 2.622,379 1.677,380 2.264,382 4.649,383 1.564,384 2.966,385 1.964,386 4.459,387 2.466,388 1.504,389 2.142,391 4.304,392 1.44,393 2.666,394 1.806,395 3.622,396 2.145,397 1.2,398 1.741,400 2.685,401 1.126,402 2.609,403 1.342,404 3.497,405 2.102,406 1.126,407 1.652,409 2.536,410 1.094,411 2.236,412 1.238,413 3.476,414 2.093,415 1.109,416 1.218,417 2.509,418 1.074,419 1.788,420 1.113,421 3.417,422 1.555,423 0.659,424 0.721,425 1.779,426 0.584,427 1.522,428 0.775,429 2.961,430 1.141,431 0.274,432 0.329,433 0.651,434 0.212,435 1.293,436 0.663,437 2.883,438 0.94,443 1,444 0.153,445 2.709,446 0.462,447 -0.424,448 -0.52,449 -1.087,450 -0.337,451 13.481,452 0.481,453 0.86,454 0.031,455 42.25,456 1.509,457 23,458 0.821,459 19.25,460 0.688,461 19.354,462 0.691,463 29.719,464 0.691,465 31.427,466 1.122,467 8.205,468 0.293,469 5.193,470 0.185,471 0.14,472 0.062,473 0.297,478 0.732,479 1.319,480 0.674,481 1.111,482 0.709,483 0.828,484 0.881,485 1.017,486 0.876,487 0.994,488 0.631,489 0.853,490 1.145,491 1.178,492 1.031,493 1.007,494 1.217,495 1.016,496 1.058,497 1.151,498 1.043,499 1.058,500 1.058,501 1.098,502 0.842,503 0.957,504 0.886,505 0.844,506 0.762,507 0.889,508 1.004,509 1.106,510 1.01,511 0.924,512 1.008,513 0.965,514 0.658,515 0.964,516 0.804,517 0.846,518 0.529,519 0.961,520 0.869,521 1.003,522 0.932,523 0.965,524 0.767,525 1.007,526 7,527 0.139,528 3.111,529 2,530 1.587,531 0.771,532 0.557,533 0.352,534 0.296,535 0.171,536 10168,537 36715,538 2.085,539 34.9,541 10,542 2,543 1,544 2,549 1.709,550 1.942,551 3.384,552 0.353,554 1,558 83.667,559 1.946,560 3.816,561 4.673,562 5.223,563 5.223,564 5.223,565 2.717,566 4.084,567 4.785,568 3.603,569 1362.11,570 8.307,571 18251.2,573 1,575 1,576 233.329,577 1.572,578 4.728,579 0.226,580 0.007,581 0.069,582 0.047,583 0.041,584 0.021,585 0.016,586 0.011,587 0.011,588 0.007,589 0.456,590 0.33,591 1,592 0.744,593 141.117,594 -0.04,595 -0.168,596 0.112,597 -0.081,598 -0.179,599 0.016,600 0.087,601 0.059,602 -0.056,603 -0.014,604 0.208,605 0.009,606 -0.204,607 -0.135,608 -0.149,609 -0.085,610 -0.174,611 -0.12,612 -0.09,613 -0.153,614 -0.111,615 -0.149,616 -0.128,617 -0.17,618 0.038,619 0.069,620 0.045,621 0.06,622 0.044,623 0.078,624 -0.128,625 -0.129,626 -0.043,627 -0.023,628 -0.159,629 0.015,630 0.217,631 0.078,632 0.058,633 0.017,634 0.191,635 -0.026,636 -0.036,637 0.014,638 -0.034,639 -0.022,640 -0.027,641 -0.017,642 4.227,643 4.716,644 0.75,645 24.214,646 1.033,647 1.121,648 2.57,649 6.606,650 0.719,651 3.466,652 3.829,653 4.06,654 4.317,655 4.522,656 4.554,657 4.673,658 4.745,659 4.796,660 4.86,661 6.726,662 0.7,663 418.89,664 3.466,665 5.03,666 5.878,667 6.77,668 7.634,669 8.524,670 9.395,671 10.283,672 11.157,673 12.045,674 9.3,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 1,716 43,718 20,719 2,720 31,722 46,723 18,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 2,744 2,747 1,749 2,757 1,760 15,761 8,762 2,763 10,764 2,769 4,775 0.75,776 4,788 1,793 1,794 3,797 1,819 3,821 1,823 1,824 1,827 28,830 1,833 1,834 2,835 2,849 1,850 9.3,853 2,855 2,858 14.417,859 8.043,860 5.917,861 2.232,863 3.671,864 1.477,865 1.016,866 5.122,867 11.362,868 3.761,869 4.425,870 4.922,871 5.469,872 5.998,873 6.155,874 6.509,875 6.813,876 7.17,877 7.512,878 0.857,879 43,880 10.462,881 4.703,882 7.995,883 19.159,884 15.764,885 2.495,886 69.861,889 1,890 153.024,891 120.546,892 69.593,893 39.149,894 66.313,896 6.046,897 114.5,898 258.486,899 69.593,900 7.19,901 6.65,902 72.38,903 89.655,904 88.12,905 27.769,906 117.711,907 39.149,908 153.024,909 184.093,910 66.313,911 45.195,913 153.024,914 66.313,917 53.618,918 96.904,919 78.766,921 153.024,922 135.905,923 159.695,925 6.046,926 153.024,927 31.929,928 82.572,929 36.022,930 139.032,931 153.024,932 135.905,933 159.695,935 0.595,936 0.335,937 0.177,938 0.096,939 23,940 10,941 0.109,942 5,943 1,944 1.095,945 3.958,946 244.869,947 0.095,948 21,949 132.606,953 1,954 18.962,955 7.564,956 4.231,958 135.905,959 13.085,960 8.546,964 3.627,966 36.022,967 448.625,968 42,971 -3.311,973 23.432,980 44.418,981 48.186,983 0.359,984 0.703,985 0.861,986 0.962,987 0.962,988 0.962,989 5.014,990 1.504,991 5.905,992 4.649,993 4.511,994 5.112,995 3.156,996 6.751,997 4.346,998 6.267,999 1.2,1000 7.493,1001 4.304,1002 4.29,1003 5.198,1005 7.888,1006 3.942,1007 7.622,1008 1.126,1009 9.19,1010 2.685,1011 6.188,1012 7.431,1013 5.077,1014 10.903,1015 5.833,1016 9.018,1017 1.109,1018 10.954,1019 2.536,1020 6.758,1021 8.299,1023 12.845,1024 6.198,1025 10.446,1026 0.659,1027 12.763,1028 2.509,1029 8.184,1030 10.077,1031 7.196,1032 15.45,1033 7.605,1034 11.898,1035 0.274,1036 14.602,1037 1.779,1038 9.094,1039 11.288,1041 17.696,1042 8.325,1043 13.369,1045 16.464,1046 0.651,1047 10.351,1048 12.901,1049 9.35,1050 20.181,1051 9.532,1052 3.32,1053 -0.424,1054 18.343,1056 11.411,1057 14.27,1059 22.544,1060 10.423,1061 3.145,1062 11.69,1063 20.236,1064 -1.087,1065 12.608,1066 15.82,1067 11.512,1068 24.994,1069 11.542,1070 2.734,1071 10.781,1072 22.139,1073 4.665,1074 13.733,1075 17.266,1077 27.402,1078 12.518,1079 2.451,1080 8.064,1081 24.051,1082 4.173,1083 14.913,1084 18.793,1085 13.675,1086 29.842,1087 13.599,1088 2.291,1089 7.4,1090 25.97,1091 3.694,1092 16.067,1093 20.278,1095 32.269,1096 14.617,1097 1.96,1098 6.819,1099 27.895,1100 3.391,1101 17.243,1102 21.799,1103 15.838,1104 34.709,1105 15.684,1106 1.677,1107 5.642,1108 29.824,1109 2.943,1110 18.411,1111 23.304,1113 37.144,1114 16.722,1115 9645,1116 18489,1117 20.572,1118 30.915,1119 46.826,1120 50.012,1121 47.302,1122 47.109,1123 46.9,1124 63.056,1125 11.346,1126 139.016,1127 43.086,1128 5.662,1129 7.18,1130 6.67,1131 5.269,1132 5.32,1133 7.665,1134 5.9,1135 18.846,1136 4.93,1137 13.921,1138 1.511,1139 1.613,1140 1.526,1141 1.52,1142 1.513,1143 2.034,1144 0.366,1145 4.484,1146 1.39,1147 4.084,1148 4.072,1149 4.735,1150 4.091,1151 7.716,1152 3.993,1153 3.976,1154 3.983,1155 4.054,1156 3.87,1157 6.999,1158 3.879,1159 3.809,1160 3.843,1161 3.824,1162 3.657,1163 5.087,1164 3.66,1165 3.635,1166 3.637,1167 3.657,1168 3.553,1169 4.983,1170 3.506,1171 3.306,1172 3.325,1173 3.495,1174 3.05,1175 4.711,1176 3.082,1177 3.1,1178 3.178,1179 3.018,1180 2.896,1181 4.683,1182 2.914,1183 2.979,1184 3.055,1185 2.923,1186 2.802,1187 4.136,1188 2.809,1189 2.782,1190 2.871,1191 2.849,1192 2.624,1193 4.041,1194 2.602,1195 0.155,1196 0.167,1197 0.23,1198 0.135,1199 0.107,1200 4.805,1201 0.15,1202 5.18,1203 0.095,1204 7.116,1205 0.377,1206 4.187,1207 0.095,1208 3.32,1209 4.665,1210 2.95,1211 11.69,1212 2.93,1213 1.976,1214 1.987,1215 1.994,1216 2.056,1217 1.216,1218 2.083,1219 1.865,1220 1.848,1221 1.913,1222 1.979,1223 1.057,1224 1.974,1225 1.707,1226 1.67,1227 1.784,1228 1.859,1229 0.84,1230 1.854,1231 1.54,1232 1.544,1233 1.585,1234 1.673,1235 0.765,1236 1.725,1237 1.165,1238 1.132,1239 1.435,1240 1.521,1241 0.578,1242 1.486,1243 1.024,1244 0.954,1245 1.234,1246 1.28,1247 0.275,1248 1.274,1249 0.889,1250 0.813,1251 1.128,1252 1.156,1253 0.204,1254 1.158,1255 0.809,1256 0.782,1257 1.078,1258 1.033,1259 0.178,1260 1.082,1261 4.143,1263 5.493,1264 2.398,1265 7.026,1266 4.595,1267 8.641,1268 6.605,1269 10.299,1271 1.154,1272 6.274,1277 0.123,1278 6.104,1279 10.827,1289 30.12,1290 83.667,1291 164.068,1292 200.923,1293 224.574,1294 224.574,1295 224.574,1296 48.886,1297 7.691,1298 102.44,1299 110.82,1300 23,1301 12.578,1302 4.392,1303 3.585,1304 42.525,1305 116,1306 88,1307 0.181,1308 190.138,1309 326.94,1310 455.698,1311 25168,1312 2.3,1313 19.725,1314 0.704,1315 0.579,1316 20.475,1317 16.212,1318 13.398,1319 0.432,1320 0.336,1321 8.191,1322 11.721,1323 7.813,1324 6.452,1325 14.581,1326 10.423,1327 13.039,1328 0.29,1329 0.187,1330 14.797,1331 8.395,1332 10.163,1333 0.178,1334 0.094,1335 11.265,1336 5.341,1337 8.486,1338 0.115,1339 0.047,1340 9.289,1341 3.478,1342 6.849,1343 0.075,1344 0.026,1345 7.665,1346 2.339,1347 0.286,1348 97.002,1349 0.22,1350 26.756,1351 0.489,1352 152,1353 535.962,1354 219.89,1355 558.266,1356 745.28,1357 516,1358 178,1359 502.285,1360 247.667,1361 546.529,1362 795.08,1363 509,1364 6.725}
{0 CHEMBL445813,1 1.842,2 10.12,3 1.599,4 2.557,5 95.872,6 9.102,7 0.407,8 3.859,9 3.982,10 3.576,11 3.39,12 5.015,13 3.383,14 4.388,15 4.548,16 3.967,17 3.795,18 5.554,19 3.756,20 4.68,21 4.897,22 4.075,23 3.91,24 5.81,25 3.833,26 4.655,27 4.867,28 4.232,29 3.795,30 6.037,31 3.747,32 4.505,33 4.704,34 3.776,35 3.629,36 5.817,37 3.6,38 4.35,39 4.516,40 3.873,41 3.634,42 5.752,43 3.61,44 4.413,45 4.599,46 3.951,47 3.659,48 5.635,49 3.611,50 4.405,51 4.639,52 3.707,53 3.471,54 5.673,55 3.399,56 0.148,57 0.646,58 6.342,59 3.323,60 12.313,61 4.067,62 0.331,63 0.991,64 13.408,65 5.864,66 29.161,67 7.513,68 0.599,69 1.112,70 27.014,71 8.588,72 63.36,73 11.089,74 0.864,75 0.999,76 33.747,77 8.087,78 86.415,79 10.181,80 0.729,81 0.875,82 25.159,83 6.457,84 92.216,85 7.553,86 0.557,87 0.856,88 15.19,89 5.304,90 80.521,91 6.381,92 0.525,93 0.886,94 19.94,95 5.395,96 46.277,97 6.851,98 0.651,99 0.797,100 23.465,101 5.815,102 65.239,103 7.623,104 17,105 37,106 0.324,107 0.692,108 0.811,109 0.831,110 0.831,111 0.831,112 3.267,113 0.958,114 -2.99,115 -2.99,116 -2.89,118 38.1,120 2,124 2,126 1,138 3,139 1,140 3,142 1,147 1,153 2,163 1,167 2,171 1,173 2,175 5,178 8,181 1,184 2,185 1,188 3,192 6,195 2,196 3,197 4,199 3,203 1,204 4,206 1,208 2,214 1,215 1,218 2,220 5,228 4,231 1,233 4,240 7,244 2,245 5,247 2,252 1,257 1,264 922,265 16.759,266 16.759,267 16.759,268 16.759,269 16.759,270 15.097,271 24.567,272 9.973,273 17.176,274 13.306,275 13.306,276 13.306,277 13.306,278 13.306,279 10.783,280 37.709,281 4.7,282 14.045,283 3.55,284 1.459,285 0.78,286 0.667,287 0.667,288 0.667,289 3.944,290 2,292 1,293 1,294 1,295 536,296 3.317,299 74.159,300 170.857,307 1.645,308 34.169,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 55.167,320 253,321 4.466,322 3.695,323 6.686,324 4.079,325 3.119,326 4.113,327 1.058,328 10.64,329 2.991,330 4.335,331 3.587,332 6.457,333 3.945,334 2.978,335 3.961,336 1.058,337 9.962,338 2.853,339 3.629,340 3.041,341 5.445,342 3.486,343 2.521,344 2.791,345 0.4,346 7.218,347 2.428,348 3.415,349 2.664,350 5.079,351 3.074,352 2.097,353 2.602,355 5.885,356 2.012,357 3.232,358 2.623,359 4.841,360 2.815,361 1.879,362 2.481,364 5.104,365 1.785,366 3.205,367 2.52,368 4.72,369 2.707,370 1.821,371 2.298,373 4.787,374 1.441,375 2.715,376 1.779,377 3.883,378 2.351,379 1.418,380 1.79,382 3.177,383 1.319,384 2.521,385 1.388,386 3.668,387 2.233,388 1.263,389 1.487,391 2.88,392 1.214,393 2.46,394 1.357,395 3.517,396 2.012,397 1.035,398 1.458,400 2.412,401 0.987,402 2.236,403 1.077,404 3.36,405 1.984,406 1,407 1.062,409 2.136,410 0.983,411 2,412 1.038,413 3.247,414 1.716,415 0.756,416 1,417 1.911,418 0.719,419 1.179,420 0.888,421 2.761,422 0.804,423 -0.053,424 -0.06,425 -0.137,426 -0.036,427 1.03,428 0.473,429 2.558,430 0.745,431 -0.214,432 -0.241,433 -0.51,434 -0.203,435 1,436 0.275,437 2.352,438 0.557,439 -0.347,440 -0.445,441 -0.757,442 -0.229,443 1,444 0.173,445 2.154,446 0.473,447 -0.453,448 -0.622,449 -1.076,450 -0.429,451 12.095,452 0.484,453 0.613,454 0.025,455 30,456 1.2,457 13.5,458 0.54,459 16.5,460 0.66,461 21.321,462 0.853,463 27.505,464 0.655,465 22.362,466 0.894,467 5.934,468 0.237,469 6.124,470 0.245,471 0.173,473 0.331,478 0.716,479 1.267,480 0.557,481 0.844,482 0.539,483 0.817,484 0.685,485 1.336,486 0.649,487 0.96,488 0.542,489 0.974,490 0.878,491 0.966,492 0.823,493 0.885,494 0.826,495 0.905,496 0.814,497 0.893,498 0.764,499 0.957,500 0.936,501 0.863,502 1.621,503 0.849,504 1.015,505 0.778,506 1.968,507 0.814,508 1.142,509 1.165,510 0.731,511 0.77,512 1.282,513 0.852,514 1.019,515 1.256,516 1.043,517 1.123,518 0.877,519 1.099,520 0.848,521 0.941,522 0.894,523 1.074,524 0.8,525 1.046,526 4.5,527 0.087,528 2.889,529 2.25,530 1.169,531 0.802,532 0.409,533 0.401,534 0.155,535 0.166,536 6986,537 23382,538 2.038,539 40.5,541 8,542 1,544 4,547 4,549 1.681,550 1.899,551 3.288,552 1.855,553 1,554 1,558 77.381,559 1.842,560 3.933,561 4.612,562 4.726,563 4.726,564 4.726,565 2.699,566 4.084,567 4.618,568 3.468,569 1040.39,570 7.99,571 12671.9,572 1,573 1,575 1,576 226.477,577 1.44,578 4.569,579 0.167,580 0.006,581 0.078,582 0.061,583 0.032,584 0.027,585 0.013,586 0.013,587 0.007,588 0.011,589 0.415,590 0.17,591 1,592 0.609,593 120.624,594 -0.082,595 0.014,596 -0.005,597 0.053,598 -0.028,599 0.051,600 0.017,601 -0.171,602 0.012,603 -0.046,604 0.061,605 -0.062,606 0.003,607 0.02,608 0.074,609 0.075,610 0.016,611 0.079,612 0.308,613 0.044,614 0.281,615 0.013,616 0.246,617 0.107,618 -0.297,619 0.094,620 -0.123,621 0.147,622 -0.29,623 0.101,624 -0.041,625 -0.087,626 0.005,627 0.127,628 0.033,629 0.027,630 -0.063,631 -0.164,632 -0.073,633 -0.204,634 -0.091,635 -0.203,636 0.149,637 0.021,638 0.04,639 -0.154,640 0.15,641 -0.09,642 2.173,643 5.457,644 0.68,645 20.576,646 1.024,647 1.136,648 1.762,649 3.104,650 0.69,651 3.332,652 3.638,653 3.892,654 4.127,655 4.159,656 4.159,657 4.19,658 4.277,659 4.248,660 4.263,661 6.073,662 0.664,663 382.28,664 3.332,665 4.86,666 5.7,667 6.569,668 7.421,669 8.295,670 9.152,671 10.028,672 10.887,673 11.765,674 11.9,676 1,681 2,682 1,684 1,690 4,691 1,692 1,695 5,697 11,704 2,715 2,716 42,718 13,719 1,720 27,722 44,723 16,724 9,725 3,726 3,727 2,728 3,729 3,730 2,735 3,738 3,740 11,741 5,744 2,749 2,753 2,756 1,757 1,760 17,761 6,762 4,763 9,764 2,769 5,775 1,776 2,785 1,793 1,794 2,815 1,819 3,824 2,827 25,833 4,834 3,837 1,849 2,850 4.8,853 2,858 13.167,859 7.236,860 5.556,861 2.477,863 2.165,864 1.313,865 0.979,866 5.961,867 9.078,868 3.57,869 4.107,870 4.626,871 5.137,872 5.354,873 5.5,874 5.63,875 5.878,876 6.074,877 6.288,878 0.857,879 37,880 9.268,881 4.014,882 7.989,883 17.232,884 14.05,885 2.489,886 62.222,890 153.024,891 71.866,892 87.358,893 78.297,894 50.29,897 71.866,898 281.611,899 87.358,901 45.302,902 55.487,903 76.362,904 32.363,905 11.771,906 141.253,907 78.297,908 153.024,909 159.224,910 50.29,911 78.297,913 105.94,914 97.374,917 82.732,918 59.829,919 94.96,921 153.024,922 137.648,923 150.164,926 153.024,927 34.39,928 37.476,929 70.695,930 145.25,931 153.024,932 137.648,933 150.164,935 0.579,936 0.343,937 0.189,938 0.084,939 17,940 8,941 0.091,942 4,944 1,945 3.678,946 201.18,948 17,949 106.096,954 18.201,955 8.188,956 4.331,958 120.985,959 6.238,960 3.94,961 2.599,964 1.002,966 70.695,967 440.836,968 34.5,973 24.886,977 -0.846,980 42.996,981 47.705,983 0.342,984 0.729,985 0.855,986 0.876,987 0.876,988 0.876,989 4.802,990 1.263,991 5.68,992 3.177,993 4.317,994 4.792,995 1.758,996 6.482,997 4.213,998 5.987,999 1.035,1000 7.236,1001 2.88,1002 3.892,1003 4.59,1005 7.394,1006 3.713,1007 7.283,1008 1,1009 8.898,1010 2.412,1011 5.894,1012 6.91,1013 1.803,1014 10.508,1015 5.713,1016 8.617,1017 0.756,1018 10.623,1019 2.136,1020 6.312,1021 7.578,1023 12.283,1024 6.069,1025 9.987,1026 -0.053,1027 12.39,1028 1.911,1029 7.777,1030 9.365,1031 1.891,1032 14.902,1033 7.522,1034 11.382,1035 -0.214,1036 14.187,1037 -0.137,1038 8.579,1039 10.427,1041 17.016,1042 8.268,1043 12.798,1044 -0.347,1045 16.004,1046 -0.51,1047 9.833,1048 12.002,1049 1.987,1050 19.464,1051 9.498,1052 3.119,1053 -0.453,1054 17.838,1055 -0.757,1056 10.81,1057 13.244,1059 21.714,1060 10.424,1061 2.978,1062 10.64,1063 19.683,1064 -1.076,1065 11.979,1066 14.727,1067 2.086,1068 24.099,1069 11.561,1070 2.521,1071 9.962,1072 21.538,1073 4.113,1074 13.034,1075 16.051,1077 26.404,1078 12.568,1079 2.097,1080 7.218,1081 23.399,1082 3.961,1083 14.171,1084 17.492,1085 2.186,1086 28.765,1087 13.668,1088 1.879,1089 5.885,1090 25.267,1091 2.791,1092 15.262,1093 18.855,1095 31.094,1096 14.713,1097 1.821,1098 5.104,1099 27.138,1100 2.602,1101 16.387,1102 20.277,1103 2.287,1104 33.446,1105 15.798,1106 1.418,1107 4.787,1108 29.013,1109 2.481,1110 17.494,1111 21.659,1113 35.786,1114 16.861,1115 6813,1116 12663,1117 17.8,1118 28.983,1119 40.318,1120 42.324,1121 41.551,1122 40.107,1123 39.777,1124 50.085,1125 5.033,1126 112.224,1127 37.465,1128 5.466,1129 5.695,1130 6.488,1131 5.122,1132 5.119,1133 7.113,1134 2.117,1135 17.556,1136 4.991,1137 12.29,1138 1.493,1139 1.568,1140 1.539,1141 1.485,1142 1.473,1143 1.855,1144 0.186,1145 4.156,1146 1.388,1147 3.994,1148 4.039,1149 4.115,1150 3.894,1151 7.432,1152 3.894,1153 3.886,1154 3.915,1155 3.905,1156 3.745,1157 7.426,1158 3.766,1159 3.811,1160 3.878,1161 3.692,1162 3.639,1163 5.006,1164 3.645,1165 3.321,1166 3.378,1167 3.582,1168 3.06,1169 4.965,1170 3.1,1171 3.255,1172 3.309,1173 3.268,1174 2.963,1175 4.632,1176 3.005,1177 3.111,1178 3.206,1179 3.18,1180 2.941,1181 4.404,1182 2.91,1183 2.909,1184 2.981,1185 3.058,1186 2.849,1187 4.115,1188 2.815,1189 2.901,1190 2.918,1191 2.866,1192 2.633,1193 3.913,1194 2.652,1195 0.165,1196 0.137,1197 0.248,1198 0.151,1199 0.116,1200 4.466,1201 0.152,1202 3.695,1203 0.039,1204 6.686,1205 0.394,1206 4.079,1207 0.111,1208 3.119,1209 4.113,1210 1.058,1211 10.64,1212 2.991,1213 1.892,1214 1.881,1215 2.033,1216 2.021,1217 1.377,1218 2.029,1219 1.821,1220 1.758,1221 1.938,1222 1.964,1223 1.072,1224 1.968,1225 1.56,1226 1.529,1227 1.652,1228 1.741,1229 0.825,1230 1.718,1231 1.337,1232 1.258,1233 1.513,1234 1.7,1235 0.744,1236 1.643,1237 1.153,1238 1.083,1239 1.482,1240 1.451,1241 0.567,1242 1.429,1243 1.127,1244 1.064,1245 1.327,1246 1.376,1247 0.288,1248 1.414,1249 0.999,1250 0.91,1251 1.193,1252 1.254,1253 0.234,1254 1.242,1255 0.849,1256 0.827,1257 1,1258 0.975,1259 0.105,1260 1.004,1261 4.007,1263 5.313,1264 2.398,1265 6.81,1266 4.595,1267 8.395,1268 6.581,1269 10.025,1272 12.084,1277 3.431,1278 8.798,1281 0.09,1289 27.879,1290 77.381,1291 165.193,1292 193.722,1293 198.477,1294 198.477,1295 198.477,1296 57.213,1297 6.914,1298 98.91,1299 98.91,1300 17,1301 12.307,1302 3.807,1303 3.087,1304 41.721,1305 90,1306 90,1307 0.224,1308 180.206,1309 311,1310 431.462,1311 9248,1312 4.8,1313 17.811,1314 0.712,1315 0.59,1316 18.811,1317 14.747,1318 12.059,1319 0.447,1320 0.319,1321 7.809,1322 11.001,1323 7.647,1324 6.287,1325 12.636,1326 8.623,1327 10.748,1328 0.29,1329 0.176,1330 11.489,1331 6.51,1332 8.843,1333 0.184,1334 0.096,1335 9.517,1336 4.598,1337 7.695,1338 0.126,1339 0.053,1340 8.604,1341 3.247,1342 4.968,1343 0.079,1344 0.029,1345 5.26,1346 1.808,1347 0.35,1348 82.127,1349 0.237,1350 24.271,1351 0.62,1352 128,1353 424.854,1354 172.071,1355 467.59,1356 605.63,1357 432,1358 149,1359 389.52,1360 185.788,1361 410.061,1362 600.25,1363 386,1364 5}
{0 CHEMBL450786,1 1.709,2 15.419,3 5.69,4 32.372,5 171.59,6 8.333,7 0.354,8 4.444,9 4.548,10 4.198,11 4.062,12 5.463,13 4.009,14 5.04,15 5.2,16 4.583,17 4.506,18 6.166,19 4.438,20 5.321,21 5.513,22 4.683,23 4.666,24 6.394,25 4.564,26 5.408,27 5.607,28 4.83,29 4.684,30 6.545,31 4.57,32 5.401,33 5.596,34 4.765,35 4.644,36 6.664,37 4.572,38 5.397,39 5.589,40 4.677,41 4.71,42 6.491,43 4.618,44 5.514,45 5.744,46 4.543,47 4.69,48 6.624,49 4.552,50 5.394,51 5.657,52 4.505,53 4.555,54 6.445,55 4.424,56 0.103,57 1.119,58 16.315,59 7.664,60 19.103,61 9.196,62 0.432,63 1.915,64 33.013,65 13.56,66 60.785,67 16.999,68 0.543,69 2.361,70 50.142,71 18.564,72 72.916,73 22.885,74 0.8,75 2.44,76 71.194,77 21.227,78 111.978,79 25.272,80 1.257,81 2.442,82 60.205,83 19.039,84 174.294,85 22.646,86 0.613,87 2.549,88 50.627,89 19.7,90 91.259,91 24.792,92 1.002,93 2.683,94 63.53,95 22.144,96 174.246,97 28.851,98 1.048,99 2.376,100 61.829,101 20.224,102 139.649,103 26.655,104 65,105 72,106 0.26,107 0.587,108 0.76,109 0.844,110 0.855,111 0.855,112 3.788,113 1.062,114 -5.08,115 -4.97,116 -4.66,118 41.6,119 2,120 4,124 5,126 1,132 1,133 1,138 6,139 4,140 4,148 2,153 2,167 10,170 2,171 7,173 1,175 7,178 14,181 1,182 11,186 5,188 11,192 13,195 2,197 1,199 14,203 1,204 17,206 1,207 1,208 2,211 11,215 9,218 2,220 5,223 19,227 2,228 7,231 1,233 3,235 19,239 2,240 6,243 4,247 13,252 7,257 7,260 13,264 3944,265 28.471,266 28.471,267 28.471,268 28.471,269 28.471,270 25.597,271 34.756,272 16.142,273 29.237,274 23.629,275 23.629,276 23.629,277 23.629,278 23.629,279 19.074,280 41.308,281 7.618,282 24.995,283 4.558,284 2.406,285 1.27,286 0.715,287 0.643,288 0.643,289 4.49,290 2,294 1,295 1458,296 4.416,299 471.68,300 277.559,303 190.395,307 2.428,308 63.153,311 0.75,312 0.67,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.75,319 92.667,320 663,321 4.876,322 5.264,323 7.324,324 4.322,325 3.428,326 4.726,327 3.272,328 12.597,329 3.246,330 4.628,331 3.784,332 6.944,333 4.262,334 3.289,335 4.334,336 1.2,337 11.598,338 3.15,339 4.473,340 3.655,341 6.722,342 4.114,343 3.143,344 4.056,345 1.058,346 10.934,347 2.888,348 4.283,349 3.404,350 6.371,351 3.849,352 2.902,353 3.942,354 0.8,355 9.6,356 2.753,357 4.024,358 3.118,359 6.347,360 3.802,361 2.881,362 3.237,363 0.293,364 9.523,365 2.591,366 3.682,367 2.898,368 5.655,369 3.436,370 2.498,371 3.014,373 7.442,374 2.347,375 3.545,376 2.862,377 5.449,378 3.226,379 2.237,380 2.648,382 6.92,383 2.197,384 3.348,385 2.623,386 5.326,387 3.058,388 2.054,389 2.481,391 6.371,392 2.049,393 3.232,394 2.592,395 4.891,396 2.773,397 1.879,398 2.465,400 5.282,401 1.752,402 3.106,403 2.569,404 4.874,405 2.707,406 1.79,407 2.283,409 5.104,410 1.66,411 3.08,412 2.202,413 4.841,414 2.687,415 1.716,416 2.199,417 5.043,418 1.525,419 3.007,420 1.951,421 4.711,422 2.546,423 1.556,424 2.125,425 4.558,426 1.441,427 2.869,428 1.559,429 4.53,430 2.381,431 1.408,432 2.023,433 4.077,434 1.377,435 2.696,436 1.497,437 3.977,438 2.377,439 1.381,440 1.708,441 3.347,442 1.363,443 2.382,444 1.484,445 3.823,446 2.255,447 1.264,448 1.329,449 2.872,450 1.249,451 21.195,452 0.493,453 1.4,454 0.033,455 52,456 1.209,457 24,458 0.558,459 28,460 0.651,461 49.793,462 1.158,463 46.605,464 0.605,465 46.707,466 1.086,467 9.535,468 0.222,469 10.995,470 0.256,471 0.177,472 0.039,473 0.368,478 0.56,479 1.296,480 0.667,481 1.043,482 0.552,483 0.91,484 0.642,485 1.122,486 0.724,487 0.908,488 0.494,489 0.873,490 0.982,491 1.043,492 0.913,493 0.977,494 0.862,495 0.984,496 1.085,497 1.082,498 0.911,499 1.016,500 1.133,501 0.994,502 1.237,503 0.86,504 0.859,505 0.853,506 1.374,507 0.831,508 0.871,509 1.14,510 0.765,511 1.027,512 0.903,513 1.033,514 0.935,515 1.033,516 0.855,517 0.963,518 0.942,519 1.076,520 0.754,521 0.708,522 0.664,523 0.654,524 0.788,525 0.705,526 10,527 0.311,528 6.444,529 4.778,530 2.982,531 2.146,532 1.342,533 0.884,534 0.79,535 0.592,536 33014,537 90226,538 2.078,539 44.2,540 3,541 18,544 2,545 3,546 8,549 1.818,550 1.904,551 3.861,552 0.137,558 131.569,559 1.709,560 3.861,561 4.997,562 5.552,563 5.624,564 5.624,565 3.327,566 5.101,567 5.397,568 4.079,569 3683.76,570 9.554,571 66496.7,576 482.543,577 1.634,578 5.334,579 0.208,580 0.006,581 0.09,582 0.065,583 0.041,584 0.028,585 0.017,586 0.014,587 0.013,588 0.01,589 0.492,590 0.17,591 0.75,592 0.578,593 247.671,594 0.024,595 -0.094,596 0.094,597 -0.011,598 -0.063,599 0.036,600 0.1,601 0.012,602 0.057,603 0.059,604 0.153,605 0.072,606 -0.09,607 0.01,608 -0.016,609 0.001,610 -0.008,611 -0.019,612 -0.014,613 -0.083,614 0.119,615 -0.006,616 -0.03,617 -0.015,618 0.031,619 0.16,620 0.063,621 0.106,622 0.028,623 0.106,624 -0.013,625 -0.101,626 -0.022,627 -0.091,628 0.006,629 -0.074,631 -0.076,632 -0.043,633 -0.061,634 0.038,635 -0.099,636 0.138,637 0.245,638 0.201,639 0.284,640 0.092,641 0.297,642 4.753,643 6.841,644 0.698,645 55.549,646 1.008,647 1.121,648 3.847,649 14.797,650 0.693,651 3.892,652 4.29,653 4.605,654 4.898,655 5.063,656 5.193,657 5.361,658 5.537,659 5.649,660 5.762,661 8.971,662 0.652,663 641.67,664 3.892,665 5.485,666 6.368,667 7.283,668 8.182,669 9.098,670 10.003,671 10.92,672 11.83,673 12.748,674 5.2,677 1,681 2,682 1,690 6,692 1,695 10,697 17,705 1,715 2,716 77,718 22,719 2,720 48,722 82,723 32,724 16,725 6,726 6,727 4,728 6,729 7,730 2,732 2,735 5,738 5,740 20,741 12,744 5,747 1,749 4,751 1,753 3,760 34,761 7,762 2,763 11,764 3,769 4,775 0.833,776 4,789 1,790 2,793 4,794 2,797 1,807 1,811 1,812 1,816 1,819 5,821 1,823 2,824 2,827 43,830 1,833 9,834 1,837 1,838 2,849 2,850 5.2,853 4,858 22.583,859 14.436,860 9.097,861 4.873,863 3.851,864 1.419,865 1.015,866 8.528,867 13.046,868 4.135,869 4.773,870 5.325,871 5.879,872 6.343,873 6.678,874 7.08,875 7.5,876 7.849,877 8.212,878 1,879 73,880 16.413,881 7.661,882 7.84,883 30.87,884 26.987,885 2.34,886 100.639,890 376.675,891 151.65,892 41.045,893 78.297,894 94.603,896 6.046,897 145.604,898 549.575,899 41.045,900 17.65,901 40.596,902 72.38,903 104.012,904 47.146,905 5.513,906 376.675,907 78.297,908 376.675,909 186.649,910 94.603,911 84.343,913 282.506,914 188.772,917 78.156,918 99.017,919 93.819,921 376.675,922 135.648,923 229.947,925 6.046,926 376.675,927 61.62,928 90.233,929 34.796,930 172.9,931 376.675,932 135.648,933 229.947,935 0.603,936 0.364,937 0.196,938 0.097,939 37,940 18,941 0.085,942 7,943 1,944 1.067,945 5.025,946 466.603,947 0.067,948 30,949 221.329,953 1,954 30.417,955 12.056,956 5.927,958 118.862,959 9.418,961 3.312,964 4.698,966 34.796,967 742.27,968 61.5,971 -3.836,973 53.709,975 1.702,977 -0.011,980 77.578,981 86.282,983 0.273,984 0.616,985 0.797,986 0.886,987 0.897,988 0.897,989 5.435,990 2.054,991 6.409,992 6.92,993 4.977,994 5.462,995 3.35,996 7.307,997 4.87,998 6.68,999 1.879,1000 8.032,1001 6.371,1002 4.796,1003 5.568,1004 0.57,1005 8.473,1006 4.581,1007 8.039,1008 1.79,1009 9.761,1010 5.282,1011 6.691,1012 7.74,1013 5.467,1014 11.572,1015 6.469,1016 9.438,1017 1.716,1018 11.552,1019 5.104,1020 7.321,1021 8.664,1022 0.801,1023 13.549,1024 6.995,1025 10.871,1026 1.556,1027 13.383,1028 5.043,1029 8.734,1030 10.387,1031 7.81,1032 16.215,1033 8.39,1034 12.33,1035 1.408,1036 15.242,1037 4.558,1038 9.696,1039 11.647,1040 1.074,1041 18.501,1042 9.265,1043 13.807,1044 1.381,1045 17.12,1046 4.077,1047 10.952,1048 13.227,1049 10.178,1050 21.037,1051 10.487,1052 3.428,1053 1.264,1054 19.014,1055 3.347,1056 12.049,1057 14.628,1058 1.404,1059 23.443,1060 11.514,1061 3.289,1062 12.597,1063 20.921,1064 2.872,1065 13.255,1066 16.16,1067 12.548,1068 25.943,1069 12.678,1070 3.143,1071 11.598,1072 22.837,1073 4.726,1074 14.406,1075 17.623,1076 1.768,1077 28.401,1078 13.77,1079 2.902,1080 10.934,1081 24.761,1082 4.334,1083 15.6,1084 19.142,1085 14.919,1086 30.894,1087 14.917,1088 2.881,1089 9.6,1090 26.691,1091 4.056,1092 16.776,1093 20.635,1094 2.15,1095 33.376,1096 16.04,1097 2.498,1098 9.523,1099 28.627,1100 3.942,1101 17.969,1102 22.153,1103 17.29,1104 35.872,1105 17.185,1106 2.237,1107 7.442,1108 30.568,1109 3.237,1110 19.158,1111 23.662,1112 2.538,1113 38.367,1114 18.323,1115 30629,1116 51227,1117 31.441,1118 53.387,1119 74.329,1120 78.513,1121 76.857,1122 74.255,1123 73.906,1124 93.194,1125 13.247,1126 227.757,1127 69.848,1128 5.876,1129 7.264,1130 6.94,1131 5.444,1132 5.428,1133 7.726,1134 6.545,1135 20.199,1136 5.246,1137 25.287,1138 1.549,1139 1.636,1140 1.601,1141 1.547,1142 1.54,1143 1.942,1144 0.276,1145 4.745,1146 1.455,1147 4.157,1148 4.16,1149 4.747,1150 4.15,1151 7.714,1152 4.081,1153 4.033,1154 4.047,1155 4.07,1156 3.944,1157 7.431,1158 3.936,1159 3.925,1160 3.971,1161 4.038,1162 3.853,1163 7.426,1164 3.849,1165 3.877,1166 3.913,1167 3.864,1168 3.742,1169 6.999,1170 3.741,1171 3.758,1172 3.818,1173 3.778,1174 3.671,1175 5.005,1176 3.62,1177 3.72,1178 3.704,1179 3.613,1180 3.59,1181 4.824,1182 3.579,1183 3.343,1184 3.364,1185 3.582,1186 3.242,1187 4.68,1188 3.23,1189 3.199,1190 3.291,1191 3.309,1192 3.019,1193 4.632,1194 2.996,1195 0.102,1196 0.11,1197 0.153,1198 0.09,1199 0.071,1200 4.876,1201 0.098,1202 5.264,1203 0.068,1204 7.324,1205 0.262,1206 4.322,1207 0.068,1208 3.428,1209 4.726,1210 3.272,1211 12.597,1212 3.246,1213 2.008,1214 2.025,1215 1.989,1216 2.044,1217 1.32,1218 2.09,1219 1.868,1220 1.853,1221 1.937,1222 1.926,1223 1.29,1224 1.94,1225 1.745,1226 1.72,1227 1.91,1228 1.918,1229 1.211,1230 1.912,1231 1.681,1232 1.642,1233 1.86,1234 1.84,1235 1.125,1236 1.834,1237 1.642,1238 1.588,1239 1.854,1240 1.82,1241 1.102,1242 1.832,1243 1.577,1244 1.507,1245 1.795,1246 1.751,1247 1.002,1248 1.793,1249 1.503,1250 1.495,1251 1.762,1252 1.704,1253 0.908,1254 1.732,1255 1.485,1256 1.428,1257 1.581,1258 1.619,1259 0.87,1260 1.651,1261 4.575,1263 5.953,1264 3.714,1265 7.506,1266 6.075,1267 9.14,1268 8.148,1269 10.819,1271 3.762,1272 12.486,1277 7.905,1278 2.825,1281 0.203,1282 4.467,1289 50.216,1290 131.569,1291 297.285,1292 384.768,1293 427.523,1294 433.033,1295 433.033,1296 112.729,1297 9.195,1298 106.34,1299 114.72,1300 32,1301 13.259,1302 4.524,1303 3.858,1304 63.889,1305 232,1306 227,1307 0.132,1308 312.122,1309 554.35,1310 753.339,1311 164385,1312 2.6,1313 30.466,1314 0.709,1315 0.616,1316 31.716,1317 26.503,1318 20.53,1319 0.428,1320 0.354,1321 14.647,1322 18.601,1323 14.048,1324 11.535,1325 21.928,1326 16.997,1327 19.798,1328 0.275,1329 0.201,1330 21.84,1331 14.449,1332 17.02,1333 0.172,1334 0.113,1335 18.801,1336 11.163,1337 14.553,1338 0.109,1339 0.065,1340 16.363,1341 8.651,1342 10.719,1343 0.068,1344 0.036,1345 12.558,1346 5.727,1347 0.21,1348 141.861,1349 0.178,1350 38.019,1351 0.356,1352 240,1353 676.165,1354 324.704,1355 735.054,1356 978.49,1357 678,1358 291,1359 646.854,1360 376.432,1361 709.299,1362 1047.31,1363 666,1364 5}
{0 CHEMBL453336,1 1.483,2 12.917,3 4.583,4 21.007,5 137.865,6 7.572,7 0.55,8 4.266,9 4.363,10 3.854,11 3.801,12 5.387,13 3.796,14 4.797,15 4.946,16 4.191,17 4.183,18 5.862,19 4.167,20 4.928,21 5.068,22 4.31,23 4.33,24 6.005,25 4.291,26 5.087,27 5.255,28 4.353,29 4.383,30 6.146,31 4.34,32 5.191,33 5.372,34 4.335,35 4.418,36 6.216,37 4.365,38 5.217,39 5.414,40 4.353,41 4.43,42 6.277,43 4.36,44 5.229,45 5.452,46 4.302,47 4.407,48 6.25,49 4.331,50 5.156,51 5.357,52 4.194,53 4.354,54 6.231,55 4.27,56 0.038,57 0.853,58 12.619,59 6.073,60 9.547,61 7.327,62 0.49,63 1.373,64 25.302,65 9.74,66 33.704,67 11.726,68 0.361,69 1.574,70 27.251,71 12.083,72 27.654,73 15.08,74 0.411,75 1.818,76 33.86,77 13.594,78 42.53,79 17.112,80 0.601,81 1.99,82 39.323,83 14.575,84 53.77,85 18.032,86 0.769,87 2.04,88 40.799,89 15.399,90 67.785,91 20.101,92 0.706,93 2.052,94 42.857,95 15.606,96 67.234,97 20.774,98 0.751,99 1.888,100 39.083,101 14.452,102 85.215,103 18.498,104 26,105 56,106 0.234,107 0.562,108 0.701,109 0.786,110 0.817,111 0.837,112 3.616,113 0.874,114 -3.88,115 -3.83,116 -3.64,118 45.3,123 3,124 2,125 1,133 2,138 11,139 4,140 3,147 1,148 1,153 1,167 16,170 1,171 7,173 1,175 2,178 17,181 2,182 11,186 2,188 12,191 1,192 16,197 3,199 7,204 11,206 1,208 1,211 6,214 3,215 10,218 2,220 2,223 8,227 1,228 7,231 2,233 1,235 14,239 3,240 6,247 16,251 1,252 5,257 1,260 14,264 2524,265 25.093,266 25.093,267 25.093,268 25.093,269 25.093,270 22.193,271 27.338,272 14.758,273 25.854,274 19.578,275 19.578,276 19.578,277 19.578,278 19.578,279 14.885,280 34.246,281 6.713,282 20.489,283 4.517,284 2.437,285 1.558,286 1.014,287 0.821,288 0.692,289 4.323,294 1,295 1008,296 3.464,299 168.063,300 317.362,303 143.559,307 2.088,308 30.982,311 1,312 0.83,313 0.83,314 0.8,315 0.5,316 1,317 1,318 0.85,319 78,320 465,321 4.745,322 3.686,323 7.02,324 4.33,325 3.342,326 4.656,327 1.24,328 12.033,329 3.305,330 4.505,331 3.356,332 6.669,333 4.078,334 3.113,335 4.202,336 1.081,337 10.753,338 3.013,339 4.277,340 3.266,341 6.477,342 3.869,343 2.912,344 3.804,345 0.86,346 10.051,347 2.768,348 3.897,349 2.859,350 5.795,351 3.51,352 2.523,353 3.444,354 0.86,355 7.661,356 2.491,357 3.562,358 2.71,359 5.341,360 3.211,361 2.241,362 2.895,363 0.86,364 6.965,365 2.175,366 3.383,367 2.555,368 5.19,369 2.973,370 2.061,371 2.724,372 0.473,373 6.118,374 1.938,375 3.355,376 2.352,377 5.184,378 2.972,379 2.01,380 2.604,381 0.362,382 6.019,383 1.883,384 3.337,385 2.215,386 5.025,387 2.924,388 1.938,389 2.565,391 5.588,392 1.867,393 2.941,394 1.941,395 4.46,396 2.523,397 1.552,398 2.109,400 3.885,401 1.505,402 2.901,403 1.796,404 3.964,405 2.413,406 1.406,407 2,409 3.253,410 1.412,411 2.67,412 1.677,413 3.735,414 2.206,415 1.244,416 1.724,417 2.842,418 1.191,419 2.5,420 1.436,421 3.604,422 2.027,423 1.177,424 1.5,425 2.741,426 1,427 2.373,428 1.215,429 3.59,430 2,431 1.017,432 1.311,433 2.456,434 0.996,435 2.224,436 1.133,437 3.559,438 1.952,439 1,440 1.206,441 2.136,442 0.941,443 2.064,444 1,445 3.247,446 1.759,447 0.839,448 0.936,449 1.931,450 0.766,451 16.967,452 0.471,453 0.705,454 0.02,455 48,456 1.333,457 24.5,458 0.681,459 23.5,460 0.653,461 30.917,462 0.859,463 38.233,464 0.597,465 41.836,466 1.162,467 10.183,468 0.283,469 7.456,470 0.207,471 0.108,473 0.348,478 0.839,479 1.262,480 0.753,481 1.114,482 0.661,483 0.948,484 1.333,485 0.777,486 0.919,487 0.699,488 0.895,489 0.724,490 0.775,491 1.182,492 0.885,493 1.139,494 0.851,495 1.052,496 1.028,497 1.192,498 0.966,499 1.125,500 0.959,501 1.047,502 1.38,503 1.085,504 1.143,505 1.032,506 1.225,507 1.04,508 0.904,509 1.095,510 0.986,511 1.056,512 0.984,513 1.04,514 0.929,515 0.926,516 0.905,517 0.902,518 0.964,519 0.895,520 1.15,521 0.954,522 1.134,523 0.991,524 1.802,525 1.046,526 5.5,527 0.25,528 4,529 3.076,530 2.043,531 1.413,532 1.154,533 0.651,534 0.505,535 0.33,536 18880,537 49592,538 2.12,539 43.8,541 24,542 3,544 1,549 1.779,550 2,551 3.614,552 -0.41,558 94.903,559 1.483,560 3.563,561 4.442,562 4.986,563 5.179,564 5.308,565 3.116,566 4.781,567 5.136,568 3.8,569 2394.17,570 9.058,571 37192.9,576 384,577 1.352,578 5.109,579 0.138,580 0.007,581 0.071,582 0.05,583 0.033,584 0.024,585 0.019,586 0.011,587 0.01,588 0.007,589 0.37,590 0.33,591 0.75,592 0.795,593 194.632,594 -0.027,595 -0.152,596 0.069,597 -0.089,598 -0.042,599 -0.008,600 -0.142,601 0.291,602 0.025,603 0.28,604 -0.08,605 0.199,606 0.117,607 -0.147,608 0.004,609 -0.121,610 0.032,611 -0.086,612 -0.013,613 -0.166,614 -0.024,615 -0.136,616 0.01,617 -0.091,618 -0.193,619 -0.063,620 -0.16,621 -0.066,622 -0.143,623 -0.102,624 0.12,625 -0.088,626 -0.007,627 -0.081,628 0.107,629 -0.073,630 0.046,631 0.07,632 0.096,633 0.068,634 0.111,635 0.089,636 -0.054,637 0.044,638 -0.141,639 -0.018,640 -0.145,641 -0.082,642 1.809,643 6.071,644 0.722,645 41.901,646 1.005,647 1.116,648 2.646,649 6.999,650 0.675,651 3.714,652 4.043,653 4.394,654 4.718,655 4.942,656 5.088,657 5.298,658 5.455,659 5.541,660 5.652,661 7.497,662 0.648,663 484.59,664 3.714,665 5.263,666 6.142,667 7.041,668 7.941,669 8.852,670 9.762,671 10.679,672 11.595,673 12.516,674 3.1,681 1,682 1,689 2,690 12,695 6,696 1,697 22,714 3,716 64,718 24,719 3,720 40,722 68,723 29,724 20,725 7,726 11,727 3,728 5,729 6,740 23,741 6,744 2,749 1,753 3,760 28,761 6,762 1,763 7,769 2,775 0.8,776 5,789 1,793 2,794 3,797 1,807 1,812 2,818 1,819 4,823 3,827 36,833 3,834 1,835 4,850 7.8,853 1,854 1,855 3,858 18,859 12.533,860 8.167,861 3.515,863 4.229,864 1.496,865 0.997,866 7.208,867 12.762,868 3.989,869 4.618,870 5.283,871 5.914,872 6.458,873 6.82,874 7.297,875 7.73,876 8.031,877 8.453,878 0.889,879 61,880 13.304,881 5.619,882 7.676,883 25.432,884 20.667,885 2.176,886 78.333,890 317.82,891 197.877,892 19.91,894 69.144,897 197.877,898 386.964,899 19.91,900 32.649,901 28.872,902 113.286,903 40.849,904 69.13,905 37.457,906 282.506,908 317.82,909 217.787,910 69.144,913 317.82,914 58.145,915 11,917 30.771,918 187.015,921 317.82,922 89.054,923 197.877,926 317.82,927 51.942,928 147.834,929 18.011,930 69.144,931 317.82,932 89.054,933 197.877,935 0.571,936 0.359,937 0.21,938 0.112,939 27,940 12,941 0.132,942 9,943 1,944 1.077,945 4.525,946 362.298,947 0.077,948 26,949 174.117,954 24.286,955 10.685,956 4.718,957 2.092,958 87.155,959 23.911,964 4.275,965 2.08,966 18.011,967 604.751,968 53,973 13.071,977 1.353,980 64.327,981 71.441,983 0.247,984 0.594,985 0.74,986 0.831,987 0.863,988 0.885,989 5.228,990 1.938,991 6.125,992 6.019,993 4.727,994 5.306,995 2.447,996 6.987,997 4.652,998 6.445,999 1.552,1000 7.71,1001 5.588,1002 4.29,1003 5.147,1005 8.005,1006 4.214,1007 7.77,1008 1.406,1009 9.401,1010 3.885,1011 6.358,1012 7.573,1013 2.474,1014 11.162,1015 6.234,1016 9.14,1017 1.244,1018 11.157,1019 3.253,1020 6.815,1021 8.299,1023 13.047,1024 6.683,1025 10.547,1026 1.177,1027 12.955,1028 2.842,1029 8.311,1030 10.172,1031 2.633,1032 15.722,1033 8.151,1034 11.981,1035 1.017,1036 14.782,1037 2.741,1038 9.17,1039 11.308,1041 17.945,1042 8.997,1043 13.435,1044 1,1045 16.629,1046 2.456,1047 10.453,1048 12.962,1049 2.874,1050 20.469,1051 10.262,1052 3.342,1053 0.839,1054 18.492,1055 2.136,1056 11.492,1057 14.296,1059 22.827,1060 11.287,1061 3.113,1062 12.033,1063 20.368,1064 1.931,1065 12.699,1066 15.861,1067 3.173,1068 25.303,1069 12.479,1070 2.912,1071 10.753,1072 22.252,1073 4.656,1074 13.816,1075 17.289,1077 27.718,1078 13.583,1079 2.523,1080 10.051,1081 24.145,1082 4.202,1083 14.999,1084 18.82,1085 3.512,1086 30.181,1087 14.754,1088 2.241,1089 7.661,1090 26.043,1091 3.804,1092 16.15,1093 20.294,1095 32.622,1096 15.894,1097 2.061,1098 6.965,1099 27.947,1100 3.444,1101 17.328,1102 21.814,1103 3.878,1104 35.084,1105 17.061,1106 2.01,1107 6.118,1108 29.855,1109 2.895,1110 18.496,1111 23.312,1113 37.539,1114 18.219,1115 17867,1116 29102,1117 27.046,1118 43.182,1119 59.702,1120 61.742,1121 62.709,1122 59.35,1123 59.555,1124 78.759,1125 11.471,1126 174.3,1127 57.024,1128 5.667,1129 5.686,1130 6.822,1131 5.413,1132 5.342,1133 7.656,1134 2.48,1135 19.741,1136 5.305,1137 16.301,1138 1.493,1139 1.544,1140 1.568,1141 1.484,1142 1.489,1143 1.969,1144 0.287,1145 4.357,1146 1.426,1147 4.17,1148 4.198,1149 4.138,1150 4.09,1151 7.429,1152 4.098,1153 3.96,1154 3.972,1155 3.927,1156 3.872,1157 4.995,1158 3.882,1159 3.904,1160 3.934,1161 3.83,1162 3.843,1163 4.926,1164 3.836,1165 3.714,1166 3.741,1167 3.665,1168 3.566,1169 4.772,1170 3.583,1171 3.478,1172 3.528,1173 3.373,1174 3.288,1175 4.58,1176 3.303,1177 3.303,1178 3.355,1179 3.144,1180 3.06,1181 4.482,1182 3.067,1183 3.241,1184 3.304,1185 3.126,1186 3.006,1187 4.472,1188 3.026,1189 3.233,1190 3.283,1191 3.054,1192 2.96,1193 4.392,1194 2.969,1195 0.119,1196 0.092,1197 0.176,1198 0.108,1199 0.084,1200 4.745,1201 0.116,1202 3.686,1203 0.031,1204 7.02,1205 0.301,1206 4.33,1207 0.083,1208 3.342,1209 4.656,1210 1.24,1211 12.033,1212 3.305,1213 1.96,1214 1.945,1215 2.043,1216 2.038,1217 1.217,1218 2.038,1219 1.906,1220 1.883,1221 2.03,1222 2.01,1223 1.142,1224 2.008,1225 1.888,1226 1.87,1227 1.964,1228 1.98,1229 1.112,1230 1.983,1231 1.641,1232 1.609,1233 1.762,1234 1.812,1235 0.955,1236 1.8,1237 1.378,1238 1.343,1239 1.599,1240 1.629,1241 0.772,1242 1.61,1243 1.313,1244 1.256,1245 1.59,1246 1.592,1247 0.598,1248 1.579,1249 1.227,1250 1.163,1251 1.571,1252 1.558,1253 0.584,1254 1.565,1255 1.181,1256 1.118,1257 1.549,1258 1.506,1259 0.583,1260 1.524,1261 4.394,1263 5.72,1264 3.045,1265 7.253,1266 5.476,1267 8.883,1268 7.636,1269 10.565,1271 4.685,1277 1.329,1278 2.992,1279 22.547,1289 41.465,1290 94.903,1291 228.059,1292 284.298,1293 319.106,1294 331.471,1295 339.735,1296 59.334,1297 8.533,1298 70.95,1299 70.95,1300 28,1301 13.025,1302 4.644,1303 3.807,1304 54.241,1305 158,1306 192,1307 0.165,1308 250.422,1309 439.13,1310 602.791,1311 67241,1313 25.07,1314 0.696,1315 0.57,1316 25.07,1317 20.538,1318 17.639,1319 0.441,1320 0.291,1321 11.433,1322 16.828,1323 11.075,1324 9.229,1325 17.639,1326 11.659,1327 15.143,1328 0.27,1329 0.151,1330 15.143,1331 8.443,1332 13.66,1333 0.171,1334 0.08,1335 13.66,1336 6.364,1337 12.077,1338 0.109,1339 0.042,1340 12.077,1341 4.673,1342 9.692,1343 0.07,1344 0.023,1345 9.692,1346 3.155,1347 0.257,1348 111.786,1349 0.192,1350 32.665,1351 0.46,1352 192,1353 584.656,1354 209.974,1355 549.496,1356 756.06,1357 520,1358 232,1359 547.768,1360 251.834,1361 561.529,1362 826.21,1363 522,1364 4.432}
{0 CHEMBL459850,1 1.833,2 12.394,3 3.436,4 11.807,5 116.733,6 8.778,7 0.5,8 4.085,9 4.202,10 3.766,11 3.578,12 5.349,13 3.612,14 4.616,15 4.776,16 4.237,17 3.968,18 6.273,19 3.995,20 4.8,21 4.95,22 4.292,23 4.131,24 6.145,25 4.146,26 4.998,27 5.201,28 4.253,29 4.134,30 6.359,31 4.14,32 4.916,33 5.106,34 4.219,35 4.11,36 6.243,37 4.104,38 4.96,39 5.177,40 4.16,41 4.059,42 6.524,43 4.027,44 4.828,45 5.063,46 3.923,47 3.987,48 5.967,49 3.922,50 4.728,51 4.953,52 3.931,53 3.85,54 6.093,55 3.825,56 0.237,57 1.035,58 7.468,59 4.209,60 35.706,61 4.614,62 1.068,63 1.932,64 17.198,65 7.269,66 150.765,67 8.342,68 0.58,69 1.859,70 18.199,71 8.726,72 63.28,73 10.05,74 1.26,75 1.983,76 29.866,77 9.964,78 156.347,79 10.955,80 0.884,81 1.853,82 25.973,83 10.334,84 126.586,85 12.197,86 1.597,87 1.692,88 30.967,89 9.59,90 232.097,91 12.113,92 0.848,93 1.518,94 27.667,95 9.906,96 121.135,97 13.043,98 0.899,99 1.461,100 24.375,101 8.105,102 118.621,103 10.282,104 66,105 54,106 0.303,107 0.657,108 0.816,109 0.879,110 0.885,111 0.885,112 3.532,113 0.817,114 -4.79,115 -4.7,116 -4.42,118 42.3,119 1,123 1,124 1,130 1,138 7,139 4,140 2,141 1,143 1,146 1,153 1,154 1,158 1,159 1,160 1,167 9,170 5,171 7,172 2,173 3,175 3,178 10,182 4,186 3,188 6,191 4,192 10,194 1,195 2,197 4,199 4,201 1,204 6,208 2,211 7,214 2,215 8,217 2,218 4,220 1,223 8,228 7,235 7,239 2,240 7,243 2,245 2,247 6,249 2,252 5,257 2,260 5,262 2,264 1854,265 21.281,266 21.281,267 21.281,268 21.281,269 21.281,270 18.895,271 30.578,272 11.983,273 21.895,274 17.709,275 17.709,276 17.709,277 17.709,278 17.709,279 13.945,280 43.974,281 5.678,282 18.767,283 3.867,284 1.729,285 0.768,286 0.39,287 0.351,288 0.351,289 4.218,293 1,294 1,295 874,296 3.937,300 397.761,304 150.323,307 1.921,308 60.621,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 75.5,320 409,321 4.506,322 4.461,323 7.118,324 4.211,325 3.324,326 4.047,327 3.825,328 11.699,329 3.089,330 4.469,331 3.876,332 6.857,333 4.19,334 3.263,335 3.939,336 1.745,337 11.317,338 2.966,339 4.266,340 3.571,341 6.4,342 3.88,343 2.915,344 3.889,345 1.058,346 9.755,347 2.8,348 4.06,349 3.059,350 6.05,351 3.738,352 2.76,353 3.348,354 0.791,355 8.697,356 2.641,357 3.803,358 2.97,359 5.718,360 3.402,361 2.446,362 3.135,363 0.456,364 7.457,365 2.334,366 3.516,367 2.443,368 5.296,369 3.157,370 2.203,371 2.819,372 0.046,373 6.617,374 2.1,375 3.393,376 2.324,377 5.113,378 2.993,379 2.045,380 2.66,382 5.91,383 1.924,384 3.18,385 2.28,386 4.945,387 2.878,388 1.934,389 2.351,391 5.637,392 1.815,393 3.126,394 2.216,395 4.652,396 2.707,397 1.742,398 2.274,400 4.862,401 1.644,402 2.772,403 1.804,404 4.263,405 2.294,406 1.313,407 1.863,409 3.6,410 1.282,411 2.611,412 1.606,413 3.982,414 2.14,415 1.168,416 1.628,417 3.095,418 1.113,419 2.537,420 1.15,421 3.775,422 2.037,423 1.03,424 1.505,425 2.467,426 1.032,427 2.288,428 1.096,429 3.471,430 1.878,431 0.942,432 1.231,433 2.438,434 0.879,435 1.788,436 1.019,437 3.181,438 1.352,439 0.344,440 0.442,441 0.809,442 0.34,443 1.467,444 0.681,445 2.933,446 1.166,447 0.196,448 0.233,449 0.466,450 0.188,451 14.924,452 0.452,453 1.217,454 0.037,455 45.5,456 1.379,457 23,458 0.697,459 22.5,460 0.682,461 26.543,462 0.804,463 36.076,464 0.694,465 41.444,466 1.256,467 9.29,468 0.282,469 6.251,470 0.189,471 0.196,472 0.034,473 0.389,476 3,478 0.642,479 1.12,480 0.633,481 1.053,482 0.615,483 0.889,484 0.396,485 0.67,486 0.584,487 0.783,488 0.382,489 0.768,490 0.724,491 1.15,492 0.839,493 1.286,494 0.628,495 1.158,496 1.149,497 0.827,498 1.168,499 0.888,500 1.101,501 0.98,502 0.898,503 1.047,504 0.94,505 1.198,506 0.886,507 1.124,508 0.713,509 0.574,510 1.046,511 0.801,512 0.769,513 0.989,514 0.679,515 0.805,516 0.904,517 1.015,518 0.665,519 1.049,520 0.768,521 0.797,522 0.91,523 0.895,524 0.721,525 0.94,526 9,527 0.322,528 4.889,529 2.813,530 2.862,531 1.632,532 0.832,533 0.656,534 0.447,535 0.376,536 14818,537 55273,538 2.001,539 36.5,540 3,541 12,543 1,544 3,549 1.753,550 1.808,551 3.585,552 0.922,554 1,558 95.34,559 1.833,560 3.971,561 4.933,562 5.311,563 5.349,564 5.349,565 3.083,566 4.718,567 5.018,568 3.766,569 1988.33,570 8.789,571 29321.8,576 296.423,577 1.71,578 4.933,579 0.25,580 0.01,581 0.091,582 0.048,583 0.054,584 0.031,585 0.018,586 0.017,587 0.012,588 0.011,589 0.542,590 0.33,591 1,592 0.801,593 174.601,594 -0.078,595 -0.152,596 0.014,597 -0.045,598 -0.108,599 0.011,600 0.423,601 0.371,602 0.227,603 0.2,604 0.371,605 0.145,606 -0.075,607 -0.273,608 -0.073,609 -0.298,610 -0.007,611 -0.216,612 -0.204,613 0.073,614 -0.216,615 0.042,616 -0.158,617 -0.045,618 -0.096,619 -0.207,620 -0.026,621 -0.199,622 -0.055,623 -0.116,624 0.181,625 0.225,626 -0.054,627 0.129,628 0.147,629 -0.01,630 -0.017,631 -0.084,632 0.08,633 -0.014,634 -0.023,635 0.048,636 0.006,637 -0.045,638 0.077,639 0.053,640 0.045,641 0.085,642 5.807,643 5.995,644 0.667,645 32.088,646 1.036,647 1.149,648 3.56,649 12.676,650 0.67,651 3.611,652 4.007,653 4.263,654 4.511,655 4.804,656 4.868,657 4.99,658 5.106,659 5.182,660 5.215,661 7.319,662 0.672,663 456.47,664 3.611,665 5.198,666 6.061,667 6.967,668 7.85,669 8.754,670 9.646,671 10.549,672 11.444,673 12.348,674 11.5,678 1,681 3,684 2,690 8,691 2,695 8,697 18,704 1,708 1,716 52,718 20,719 2,720 36,722 55,723 22,724 16,725 5,726 7,727 1,728 4,729 5,731 1,732 2,737 1,740 18,741 4,744 2,749 2,753 2,757 1,758 3,760 19,761 11,762 3,763 11,769 6,775 0.75,776 2,788 1,794 4,798 1,819 3,823 2,825 3,827 33,828 1,833 1,834 1,838 2,839 1,849 3,850 3.8,853 2,858 18.25,859 10.062,860 6.944,861 2.824,863 3.434,864 1.426,865 1.004,866 5.831,867 11.49,868 3.871,869 4.494,870 5.035,871 5.562,872 6.118,873 6.281,874 6.586,875 6.896,876 7.189,877 7.507,878 1,879 58,880 12.74,881 6.077,882 8.346,883 22.046,884 18.022,885 2.846,886 93.917,889 1,890 188.338,891 133.931,892 90.728,894 50.29,895 44.88,897 133.931,898 238.627,899 135.608,900 17.222,901 26.365,902 99.231,903 100.337,904 72.184,905 8.503,906 176.567,907 7.76,908 188.338,909 224.659,910 95.17,913 188.338,914 95.17,917 53.896,918 137.191,919 33.571,921 233.218,922 141.017,923 133.931,926 196.097,927 33.569,928 98.851,929 18.011,930 161.638,931 188.338,932 185.898,933 133.931,935 0.607,936 0.351,937 0.178,938 0.105,939 27,940 14,941 0.055,942 3,943 1,944 1.091,945 4.174,946 314.122,947 0.091,948 22,949 161.71,954 22.717,955 8.47,956 4.538,958 185.898,959 10.611,960 8.101,964 1.71,966 50.908,967 508.167,968 47,973 25.577,977 -1.058,980 53.872,981 59.749,983 0.322,984 0.697,985 0.865,986 0.932,987 0.938,988 0.938,989 5.156,990 1.934,991 6.116,992 5.91,993 4.691,994 5.182,995 3.391,996 6.997,997 4.584,998 6.403,999 1.742,1000 7.735,1001 5.637,1002 4.575,1003 5.13,1004 3.963,1005 8.155,1006 4.343,1007 7.742,1008 1.313,1009 9.458,1010 4.862,1011 6.405,1012 7.364,1013 5.486,1014 11.201,1015 6.171,1016 9.11,1017 1.168,1018 11.24,1019 3.6,1020 7.031,1021 8.02,1022 6.705,1023 13.118,1024 6.667,1025 10.504,1026 1.03,1027 13.059,1028 3.095,1029 8.425,1030 9.807,1031 8.069,1032 15.754,1033 8.039,1034 11.918,1035 0.942,1036 14.904,1037 2.467,1038 9.363,1039 10.792,1040 9.392,1041 17.973,1042 8.858,1043 13.346,1044 0.344,1045 16.768,1046 2.438,1047 10.608,1048 12.385,1049 10.736,1050 20.476,1051 10.056,1052 3.324,1053 0.196,1054 18.646,1055 0.809,1056 11.681,1057 13.542,1058 12.075,1059 22.819,1060 11.024,1061 3.263,1062 11.699,1063 20.536,1064 0.466,1065 12.875,1066 15.037,1067 13.417,1068 25.277,1069 12.155,1070 2.915,1071 11.317,1072 22.434,1073 4.047,1074 14.007,1075 16.289,1076 14.758,1077 27.674,1078 13.19,1079 2.76,1080 9.755,1081 24.341,1082 3.939,1083 15.187,1084 17.733,1085 16.1,1086 30.118,1087 14.297,1088 2.446,1089 8.697,1090 26.253,1091 3.889,1092 16.345,1093 19.038,1094 17.441,1095 32.539,1096 15.365,1097 2.203,1098 7.457,1099 28.171,1100 3.348,1101 17.524,1102 20.453,1103 18.783,1104 34.98,1105 16.464,1106 2.045,1107 6.617,1108 30.093,1109 3.135,1110 18.695,1111 21.79,1112 20.124,1113 37.413,1114 17.549,1115 14296,1116 27832,1117 22.887,1118 34.847,1119 56.395,1120 57.015,1121 57.645,1122 55.545,1123 55.247,1124 70.731,1125 15.844,1126 169.647,1127 52.292,1128 5.453,1129 6.461,1130 6.66,1131 5.295,1132 5.324,1133 7.047,1134 5.335,1135 19.37,1136 5.089,1137 21.63,1138 1.567,1139 1.584,1140 1.601,1141 1.543,1142 1.535,1143 1.965,1144 0.44,1145 4.712,1146 1.453,1147 4.038,1148 4.076,1149 3.999,1150 3.929,1151 8.513,1152 3.938,1153 3.94,1154 3.97,1155 3.905,1156 3.848,1157 7.999,1158 3.853,1159 3.853,1160 3.892,1161 3.809,1162 3.726,1163 7.999,1164 3.746,1165 3.478,1166 3.54,1167 3.453,1168 3.21,1169 7.431,1170 3.256,1171 3.419,1172 3.463,1173 3.391,1174 3.16,1175 7.426,1176 3.202,1177 3.252,1178 3.318,1179 3.186,1180 3.011,1181 5.224,1182 3.033,1183 3.203,1184 3.297,1185 3.038,1186 2.972,1187 4.753,1188 2.975,1189 3.066,1190 3.125,1191 2.914,1192 2.88,1193 4.654,1194 2.885,1195 0.125,1196 0.124,1197 0.198,1198 0.117,1199 0.092,1200 4.506,1201 0.112,1202 4.461,1203 0.106,1204 7.118,1205 0.325,1206 4.211,1207 0.086,1208 3.324,1209 4.047,1210 3.825,1211 11.699,1212 3.089,1213 1.959,1214 1.931,1215 2.05,1216 2.097,1217 1.204,1218 2.078,1219 1.906,1220 1.881,1221 1.999,1222 2.021,1223 1.11,1224 2.01,1225 1.805,1226 1.764,1227 1.901,1228 1.947,1229 1.039,1230 1.942,1231 1.345,1232 1.285,1233 1.597,1234 1.65,1235 0.667,1236 1.62,1237 1.301,1238 1.245,1239 1.556,1240 1.567,1241 0.62,1242 1.544,1243 1.178,1244 1.084,1245 1.435,1246 1.455,1247 0.407,1248 1.476,1249 1.128,1250 1.08,1251 1.28,1252 1.417,1253 0.31,1254 1.365,1255 1.013,1256 0.963,1257 1.203,1258 1.271,1259 0.249,1260 1.259,1261 4.29,1263 5.666,1265 7.231,1267 8.88,1269 10.574,1271 3.365,1273 38.905,1275 5.63,1277 0.185,1278 2.597,1282 2.849,1283 -4.557,1289 34.922,1290 95.34,1291 206.507,1292 256.507,1293 276.158,1294 278.158,1295 278.158,1296 86.626,1297 8.056,1298 104.45,1299 104.45,1300 24,1301 12.869,1302 4.392,1303 3.585,1304 54.399,1305 146,1306 137,1307 0.182,1308 212.38,1309 379.77,1310 509.967,1311 37750,1312 5.8,1313 23.913,1314 0.725,1315 0.535,1316 21.413,1317 17.643,1318 15.541,1319 0.432,1320 0.272,1321 9.586,1322 14.698,1323 9.366,1324 7.746,1325 14.329,1326 9.802,1327 15.483,1328 0.287,1329 0.14,1330 13.525,1331 7.539,1332 12.431,1333 0.178,1334 0.075,1335 11.469,1336 5.234,1337 9.841,1338 0.109,1339 0.039,1340 9.308,1341 3.529,1342 8.586,1343 0.071,1344 0.02,1345 8.06,1346 2.478,1347 0.287,1348 99.368,1349 0.209,1350 30.503,1351 0.498,1352 180,1353 754.03,1354 213.851,1355 648.306,1356 851.28,1357 598,1358 214,1359 607.343,1360 241.951,1361 596.788,1362 894.4,1363 557,1364 8.398}
{0 CHEMBL460600,1 1.874,2 10.733,3 2.649,4 7.015,5 107.687,6 9.486,7 0.545,8 3.968,9 4.07,10 3.712,11 3.468,12 5.269,13 3.512,14 4.427,15 4.539,16 4.112,17 3.84,18 5.833,19 3.869,20 4.607,21 4.746,22 4.166,23 3.939,24 5.932,25 3.947,26 4.661,27 4.822,28 4.139,29 3.905,30 5.95,31 3.904,32 4.651,33 4.838,34 4.167,35 3.877,36 5.979,37 3.876,38 4.612,39 4.782,40 4.051,41 3.822,42 6.1,43 3.82,44 4.567,45 4.765,46 3.958,47 3.712,48 5.981,49 3.704,50 4.392,51 4.598,52 3.71,53 3.58,54 5.604,55 3.559,56 0.242,57 0.71,58 5.567,59 3.272,60 22.834,61 3.11,62 0.593,63 1.046,64 10.998,65 5.809,66 52.046,67 5.903,68 0.642,69 1.201,70 15.845,71 6.711,72 52.205,73 6.827,74 0.808,75 1.217,76 20.593,77 7.282,78 76.766,79 7.597,80 0.799,81 1.207,82 20.5,83 7,84 59.876,85 8.184,86 0.84,87 1.14,88 21.094,89 6.775,90 116.624,91 7.436,92 0.898,93 1.078,94 20.469,95 6.17,96 91.797,97 7.231,98 0.575,99 0.919,100 16.831,101 5.611,102 46.528,103 6.809,104 30,105 47,106 0.318,107 0.667,108 0.784,109 0.85,110 0.85,111 0.85,112 3.44,113 0.817,114 -2.56,115 -2.58,116 -2.52,118 42.2,125 1,138 6,139 2,140 5,141 1,143 1,146 1,153 2,158 2,159 2,160 2,167 5,170 2,171 5,172 2,173 5,175 5,178 5,180 2,182 6,184 1,186 8,188 3,190 4,192 8,195 2,196 1,197 5,201 2,203 1,204 10,206 2,207 2,208 2,210 2,211 2,213 2,214 2,215 4,217 2,218 2,219 1,220 2,222 2,223 3,226 1,227 5,228 2,230 4,231 5,233 4,235 2,239 1,240 1,243 1,245 2,247 1,252 4,255 2,256 2,257 2,259 2,260 4,262 2,264 1426,265 19.963,266 19.963,267 19.963,268 19.963,269 19.963,270 17.451,271 29.388,272 11.617,273 20.415,274 16.301,275 16.301,276 16.301,277 16.301,278 16.301,279 12.389,280 45.944,281 5.529,282 17.123,283 3.618,284 1.57,285 0.878,286 0.489,287 0.489,288 0.489,289 4.134,290 1,293 1,294 1,295 694,296 3.536,299 67.295,300 277.854,303 124.756,307 1.72,308 42.356,311 0.75,312 0.67,313 0.83,314 0.3,316 0.67,317 0.5,318 0.53,319 67.333,320 322,321 4.489,322 3.548,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.965,330 4.345,331 3.486,332 6.165,333 3.968,334 2.971,335 3.992,336 0.98,337 9.164,338 2.93,339 4.063,340 3.458,341 5.732,342 3.616,343 2.688,344 3.659,345 0.98,346 7.947,347 2.529,348 3.843,349 2.949,350 5.708,351 3.511,352 2.491,353 3.176,354 0.532,355 7.492,356 2.488,357 3.647,358 2.86,359 5.575,360 3.29,361 2.366,362 2.959,363 0.4,364 7.277,365 2.198,366 3.547,367 2.579,368 5.227,369 3.138,370 2.203,371 2.854,372 0.4,373 6.507,374 2.008,375 3.25,376 2.24,377 4.815,378 2.805,379 1.871,380 2.499,382 5.379,383 1.722,384 3.04,385 2.042,386 4.612,387 2.607,388 1.661,389 2.24,391 4.633,392 1.554,393 2.766,394 1.827,395 3.844,396 2.262,397 1.256,398 1.787,400 2.985,401 1.252,402 2.657,403 1.744,404 3.621,405 2.137,406 1.179,407 1.709,409 2.669,410 1.118,411 2.551,412 1.58,413 3.618,414 2.095,415 1.125,416 1.462,417 2.513,418 1.075,419 2.236,420 1.288,421 3.484,422 2.026,423 1,424 1.218,425 2.461,426 1.016,427 1.788,428 1.114,429 3.417,430 1.555,431 0.659,432 0.721,433 1.779,434 0.584,435 1.522,436 0.775,437 2.979,438 1.141,439 0.274,440 0.329,441 0.651,442 0.212,443 1.294,444 0.162,445 2.906,446 0.94,451 13.948,452 0.465,453 0.856,454 0.029,455 43.75,456 1.458,457 23,458 0.767,459 20.75,460 0.692,461 21.124,462 0.704,463 31.652,464 0.703,465 35.265,466 1.175,467 8.941,468 0.298,469 5.461,470 0.182,471 0.156,473 0.394,478 0.918,479 1.208,480 0.59,481 0.85,482 0.784,483 0.718,484 0.804,485 0.975,486 0.648,487 0.864,488 0.524,489 0.823,490 1.043,491 1.279,492 0.986,493 1.11,494 1.002,495 1.067,496 1.083,497 1.176,498 1.109,499 1.108,500 1.109,501 1.085,502 0.767,503 1.017,504 0.809,505 0.924,506 0.703,507 0.907,508 1.022,509 1.143,510 1.171,511 1.049,512 1.027,513 1.046,514 0.84,515 0.736,516 0.944,517 0.829,518 0.957,519 0.939,520 0.853,521 1.057,522 0.875,523 0.955,524 0.732,525 0.976,526 7,527 0.156,528 3.111,529 2.063,530 1.88,531 1.111,532 0.598,533 0.375,534 0.312,535 0.167,536 11902,537 43817,538 2.067,539 33.3,541 6,542 2,543 1,544 6,549 1.729,550 1.915,551 3.396,552 3.356,553 1,554 1,558 84.31,559 1.874,560 3.921,561 4.614,562 5.003,563 5.003,564 5.003,565 2.68,566 4.123,567 4.885,568 3.626,569 1577.13,570 8.518,571 22300.6,573 1,575 1,576 247.133,577 1.475,578 4.828,579 0.212,580 0.006,581 0.066,582 0.044,583 0.043,584 0.025,585 0.015,586 0.01,587 0.01,588 0.006,589 0.438,590 0.17,591 0.88,592 0.855,593 154.391,594 -0.197,595 -0.031,596 -0.018,597 0.052,598 -0.19,599 0.087,600 0.096,601 0.111,602 0.046,603 0.077,604 0.14,605 0.036,606 -0.171,607 -0.224,608 -0.127,609 -0.156,610 -0.132,611 -0.165,612 -0.132,613 -0.167,614 -0.124,615 -0.143,616 -0.192,617 -0.143,618 0.092,619 0.003,620 0.151,621 0.025,622 0.083,623 0.07,624 -0.049,625 -0.138,626 -0.143,627 -0.09,628 0.087,629 -0.097,630 0.134,631 0.278,632 0.005,633 0.093,634 0.046,635 0.022,636 -0.034,637 -0.074,638 0.028,639 0.002,640 -0.006,641 0.052,642 2.368,643 4.529,644 0.7,645 27.236,646 1.037,647 1.13,648 1.328,649 1.763,650 0.7,651 3.526,652 3.871,653 4.127,654 4.394,655 4.625,656 4.682,657 4.779,658 4.844,659 4.875,660 4.956,661 6.93,662 0.699,663 426.85,664 3.526,665 5.081,666 5.932,667 6.817,668 7.687,669 8.572,670 9.448,671 10.334,672 11.212,673 12.098,674 13.3,681 2,682 2,684 2,690 7,691 2,695 9,697 18,703 2,709 2,714 2,715 1,716 45,718 20,719 2,720 33,722 48,723 19,724 16,725 7,726 5,727 2,728 4,729 5,730 1,740 18,741 1,744 2,749 2,753 2,757 1,760 15,761 10,762 6,763 11,764 1,769 6,775 0.75,776 4,788 1,793 1,794 3,797 1,819 3,824 1,827 30,828 2,833 1,834 2,835 2,849 1,850 8.9,853 2,855 2,858 15.667,859 7.96,860 6.472,861 2.287,863 3.674,864 1.469,865 1.013,866 5.63,867 11.512,868 3.807,869 4.425,870 4.975,871 5.533,872 6.081,873 6.283,874 6.611,875 6.914,876 7.234,877 7.594,878 0.857,879 47,880 11.011,881 4.789,882 8.098,883 20.025,884 16.082,885 2.598,886 77.944,889 1,890 105.94,891 112.064,892 135.387,893 39.149,894 72.29,897 112.064,898 217.378,899 135.387,901 72.445,902 56.857,903 105.041,904 92.941,905 27.769,906 70.627,907 39.149,908 105.94,909 247.45,910 72.29,911 39.149,913 105.94,914 72.29,917 119.413,918 94.467,919 72.72,921 105.94,922 207.677,923 151.212,926 105.94,927 46.159,928 65.905,929 36.022,930 210.804,931 105.94,932 207.677,933 151.212,935 0.59,936 0.339,937 0.18,938 0.104,939 23,940 11,941 0.125,942 6,943 1,944 1.095,945 4.085,946 269.431,947 0.095,948 21,949 137.207,954 20.218,955 8.354,956 4.434,958 207.677,959 10.775,960 8.495,964 3.187,966 101.816,967 464.829,968 44,973 23.058,977 -1.403,980 46.662,981 50.847,983 0.341,984 0.714,985 0.84,986 0.911,987 0.911,988 0.911,989 5.053,990 1.661,991 5.932,992 5.379,993 4.554,994 5.112,995 2.294,996 6.744,997 4.46,998 6.276,999 1.256,1000 7.495,1001 4.633,1002 4.205,1003 4.987,1005 7.624,1006 4.06,1007 7.592,1008 1.179,1009 9.153,1010 2.985,1011 6.155,1012 7.303,1013 2.521,1014 10.708,1015 5.979,1016 8.94,1017 1.125,1018 10.865,1019 2.669,1020 6.581,1021 7.931,1023 12.389,1024 6.356,1025 10.315,1026 1,1027 12.611,1028 2.513,1029 8.026,1030 9.763,1031 2.951,1032 14.993,1033 7.773,1034 11.709,1035 0.659,1036 14.38,1037 2.461,1038 8.807,1039 10.747,1041 17.034,1042 8.508,1043 13.119,1044 0.274,1045 16.167,1046 1.779,1047 10.05,1048 12.368,1049 3.482,1050 19.47,1051 9.72,1052 3.145,1054 17.968,1055 0.651,1056 11.003,1057 13.54,1059 21.682,1060 10.627,1061 2.971,1062 10.781,1063 19.78,1065 12.164,1066 15.057,1067 4.072,1068 24.061,1069 11.753,1070 2.688,1071 9.164,1072 21.602,1073 4.173,1074 13.202,1075 16.333,1077 26.354,1078 12.744,1079 2.491,1080 7.947,1081 23.432,1082 3.992,1083 14.332,1084 17.797,1085 4.696,1086 28.718,1087 13.835,1088 2.366,1089 7.492,1090 25.269,1091 3.659,1092 15.411,1093 19.131,1095 31.05,1096 14.868,1097 2.203,1098 7.277,1099 27.112,1100 3.176,1101 16.532,1102 20.568,1103 5.338,1104 33.413,1105 15.946,1106 1.871,1107 6.507,1108 28.961,1109 2.959,1110 17.634,1111 21.935,1113 35.764,1114 17,1115 11371,1116 21951,1117 21.789,1118 31.517,1119 50.153,1120 52.627,1121 51.318,1122 49.825,1123 49.777,1124 65.557,1125 9.365,1126 144.476,1127 47.303,1128 5.346,1129 5.548,1130 6.235,1131 5.162,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.965,1137 16.307,1138 1.52,1139 1.595,1140 1.555,1141 1.51,1142 1.508,1143 1.987,1144 0.284,1145 4.378,1146 1.433,1147 4.012,1148 4.041,1149 4.057,1150 3.908,1151 7.44,1152 3.918,1153 3.945,1154 3.958,1155 3.936,1156 3.856,1157 7.434,1158 3.864,1159 3.781,1160 3.824,1161 3.755,1162 3.615,1163 5.088,1164 3.641,1165 3.439,1166 3.478,1167 3.495,1168 3.181,1169 4.984,1170 3.226,1171 3.313,1172 3.357,1173 3.387,1174 3.053,1175 4.908,1176 3.087,1177 3.278,1178 3.317,1179 3.214,1180 3.034,1181 4.877,1182 3.066,1183 3.043,1184 3.124,1185 2.953,1186 2.826,1187 4.71,1188 2.845,1189 2.917,1190 3.006,1191 2.916,1192 2.649,1193 4.59,1194 2.683,1195 0.136,1196 0.108,1197 0.203,1198 0.124,1199 0.095,1200 4.489,1201 0.126,1202 3.548,1203 0.042,1204 6.684,1205 0.327,1206 4.083,1207 0.09,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.965,1213 1.933,1214 1.911,1215 2.007,1216 2.053,1217 1.118,1218 2.037,1219 1.862,1220 1.846,1221 1.914,1222 1.976,1223 1.056,1224 1.963,1225 1.697,1226 1.654,1227 1.785,1228 1.854,1229 0.777,1230 1.84,1231 1.295,1232 1.264,1233 1.445,1234 1.614,1235 0.578,1236 1.565,1237 1.181,1238 1.139,1239 1.435,1240 1.524,1241 0.297,1242 1.488,1243 1.151,1244 1.107,1245 1.353,1246 1.477,1247 0.28,1248 1.446,1249 0.911,1250 0.833,1251 1.148,1252 1.226,1253 0.179,1254 1.212,1255 0.834,1256 0.782,1257 1.112,1258 1.133,1260 1.137,1261 4.205,1263 5.541,1264 2.398,1265 7.06,1266 4.595,1267 8.667,1268 6.605,1269 10.321,1272 6.277,1275 10.638,1277 0.097,1278 6.003,1279 10.818,1289 31.449,1290 84.31,1291 176.462,1292 207.624,1293 225.133,1294 225.133,1295 225.133,1296 56.375,1297 7.838,1298 154.48,1299 154.48,1300 23,1301 12.631,1302 4.392,1303 3.585,1304 47.051,1305 127,1306 92,1307 0.181,1308 196.334,1309 342.45,1310 470.814,1311 29866,1312 2.2,1313 21.25,1314 0.708,1315 0.535,1316 21.75,1317 16.065,1318 14.402,1319 0.436,1320 0.272,1321 8.455,1322 13.391,1323 8.306,1324 6.845,1325 14.691,1326 8.982,1327 13.525,1328 0.288,1329 0.141,1330 13.896,1331 6.606,1332 10.918,1333 0.179,1334 0.073,1335 11.277,1336 4.47,1337 9.009,1338 0.113,1339 0.037,1340 9.284,1341 2.991,1342 7.511,1343 0.074,1344 0.02,1345 7.841,1346 2.006,1347 0.285,1348 94.814,1349 0.214,1350 28.263,1351 0.491,1352 160,1353 575.726,1354 197.413,1355 577.714,1356 769.03,1357 536,1358 188,1359 539.523,1360 220.823,1361 552.25,1362 808.82,1363 517,1364 4.523}
{0 CHEMBL460746,1 1.858,2 13.29,3 4.93,4 24.302,5 122.287,6 10.012,7 0.647,8 3.949,9 4.029,10 3.788,11 3.601,12 5.27,13 3.58,14 4.382,15 4.466,16 4.209,17 3.979,18 5.824,19 3.944,20 4.619,21 4.756,22 4.227,23 4.079,24 5.943,25 4.015,26 4.66,27 4.81,28 4.235,29 4.003,30 6.079,31 3.932,32 4.5,33 4.653,34 4.055,35 3.896,36 5.816,37 3.811,38 4.38,39 4.51,40 4.014,41 3.867,42 5.714,43 3.787,44 4.461,45 4.593,46 4.123,47 3.836,48 6.072,49 3.764,50 4.379,51 4.548,52 3.801,53 3.739,54 5.618,55 3.647,56 0.218,57 0.645,58 4.6,59 3.532,60 15.53,61 3.27,62 0.33,63 1.017,64 8.221,65 5.821,66 48.634,67 5.733,68 0.419,69 1.28,70 17.617,71 8.797,72 47.078,73 8.119,74 0.675,75 1.331,76 23.141,77 9.719,78 89.839,79 8.101,80 0.556,81 1.167,82 22.318,83 8.659,84 83.517,85 7.363,86 0.361,87 1.041,88 16.864,89 7.474,90 39.51,91 6.572,92 0.669,93 1.079,94 19.834,95 8.006,96 108.284,97 7.028,98 0.436,99 0.987,100 16.476,101 7.259,102 63.132,103 7.057,104 27,105 48,106 0.311,107 0.599,108 0.73,109 0.864,110 0.882,111 0.882,112 3.471,113 0.899,114 -4.23,115 -4.17,116 -3.94,118 46.7,138 11,139 2,140 3,142 1,148 1,153 1,154 1,156 1,161 2,167 9,170 1,171 6,173 1,174 1,175 5,178 10,182 11,186 6,188 8,192 9,195 2,197 6,199 4,204 3,206 1,207 1,208 5,211 5,214 1,215 2,218 1,220 4,223 6,227 2,228 2,231 3,232 1,233 5,235 10,243 1,245 2,247 10,251 1,252 2,255 3,257 3,260 5,264 1676,265 20.67,266 20.67,267 20.67,268 20.67,269 20.67,270 17.546,271 16.802,272 12.053,273 21.163,274 16.771,275 16.771,276 16.771,277 16.771,278 16.771,279 12.027,280 18.658,281 5.731,282 17.634,283 3.634,284 1.913,285 1.129,286 0.328,287 0.222,288 0.222,289 4.164,293 1,294 1,295 895,296 3.873,299 69.579,300 319.541,303 136.656,307 2.042,308 41.105,311 1,312 0.83,313 1,314 0.4,316 0.83,317 1,318 0.72,319 68,320 412,321 4.544,322 3.842,323 6.541,324 4.058,325 3.124,326 4.454,327 2.612,328 10.355,329 2.928,330 4.296,331 3.778,332 6.115,333 3.872,334 2.884,335 3.981,336 1.773,337 8.934,338 2.854,339 4.227,340 3.464,341 6.078,342 3.748,343 2.79,344 3.924,345 0.99,346 8.755,347 2.654,348 4.051,349 3.163,350 5.871,351 3.604,352 2.638,353 3.508,354 0.14,355 8.016,356 2.55,357 3.74,358 2.835,359 5.433,360 3.34,361 2.404,362 3.071,364 7.173,365 2.239,366 3.422,367 2.357,368 4.975,369 2.915,370 1.994,371 2.721,373 5.612,374 1.818,375 3.247,376 2.282,377 4.794,378 2.771,379 1.841,380 2.514,382 5.215,383 1.701,384 3.107,385 2.025,386 4.414,387 2.464,388 1.532,389 2.298,391 4.312,392 1.428,393 3.032,394 1.687,395 4.094,396 2.451,397 1.463,398 2.266,400 3.544,401 1.422,402 2.891,403 1.532,404 3.924,405 2.397,406 1.414,407 2.071,409 3.169,410 1.373,411 2.628,412 1.427,413 3.654,414 2.011,415 1.007,416 1.549,417 2.644,418 1.002,419 2.5,420 1,421 3.585,422 2,423 1,424 1.5,425 2.532,426 1,427 2.5,428 1,429 3.414,430 1.953,431 1,432 1.5,433 2.275,434 0.94,435 1.847,436 1,437 3,438 1.241,439 0.347,440 0.521,441 0.86,442 0.304,443 1.472,444 0.961,445 2.893,446 1.114,447 0.194,448 0.234,449 0.468,450 0.176,451 15.1,452 0.487,453 0.856,454 0.028,455 46.25,456 1.492,457 26.5,458 0.855,459 19.75,460 0.637,461 21.536,462 0.695,463 31.1,464 0.691,465 36.364,466 1.173,467 9.205,468 0.297,469 5.697,470 0.184,471 0.143,473 0.358,478 0.62,479 0.874,480 0.605,481 0.633,482 0.623,483 0.673,484 0.476,485 1.165,486 0.681,487 0.973,488 0.456,489 0.949,490 0.911,491 1.123,492 1.03,493 1.046,494 0.746,495 1.04,496 1.203,497 1.043,498 1.161,499 1.059,500 1.129,501 1.018,502 1.142,503 0.945,504 1.335,505 1.065,506 1.146,507 0.965,508 0.839,509 1.071,510 1.316,511 1.21,512 0.75,513 1.084,514 0.778,515 1.002,516 0.932,517 1.045,518 0.788,519 1.08,520 0.991,521 0.972,522 1.054,523 0.991,524 0.98,525 1.1,526 7,527 0.204,528 3.778,529 2.354,530 1.663,531 1.125,532 0.784,533 0.361,534 0.362,535 0.222,536 14217,537 52059,538 2.065,539 31.1,541 11,544 3,549 1.733,550 1.918,551 3.693,552 0.94,558 83.592,559 1.858,560 3.578,561 4.363,562 5.164,563 5.27,564 5.27,565 3.127,566 4.285,567 4.926,568 3.878,569 1803.48,570 8.584,571 26618.6,573 1,576 247.133,577 1.462,578 4.877,579 0.206,580 0.008,581 0.079,582 0.049,583 0.039,584 0.03,585 0.021,586 0.01,587 0.012,588 0.008,589 0.46,590 0.17,591 1,592 0.744,593 163.657,594 0.044,595 0.136,596 0.006,597 0.138,598 -0.079,599 0.082,600 0.191,601 -0.184,602 0.054,603 -0.123,604 0.155,605 -0.131,606 -0.124,607 -0.125,608 -0.088,609 -0.085,610 -0.028,611 -0.089,612 -0.138,613 -0.018,614 -0.05,615 -0.004,616 -0.077,617 -0.023,618 -0.172,619 0.098,620 -0.15,621 0.047,622 -0.182,623 0.052,624 -0.06,625 -0.027,626 -0.212,627 -0.137,628 -0.056,629 -0.125,630 0.28,631 -0.018,632 0.097,633 -0.033,634 0.257,635 -0.111,636 -0.123,637 -0.021,638 -0.071,639 -0.015,640 -0.159,641 -0.055,642 2.54,643 5.312,644 0.677,645 32.914,646 1.029,647 1.105,648 3.003,649 9.021,650 0.754,651 3.555,652 3.892,653 4.143,654 4.382,655 4.585,656 4.673,657 4.796,658 4.804,659 4.852,660 4.905,661 7.813,662 0.732,663 450.53,664 3.555,665 5.106,666 5.953,667 6.83,668 7.693,669 8.573,670 9.443,671 10.324,672 11.198,673 12.08,674 8.9,681 2,684 1,685 1,689 2,690 11,691 1,694 1,695 6,697 22,710 1,713 1,716 45,718 26,719 3,720 34,722 48,723 21,724 19,725 7,726 11,727 1,728 4,729 5,731 1,740 21,744 4,746 1,749 3,750 1,753 2,760 14,761 7,762 3,763 10,764 2,769 4,772 1,775 0.75,776 4,793 1,794 3,797 1,819 3,821 2,827 31,832 1,834 2,844 1,850 8.9,852 1,853 1,856 2,858 16.167,859 8.1,860 6.722,861 2.433,863 4.252,864 1.547,865 0.993,866 6.111,867 12.029,868 3.912,869 4.557,870 5.132,871 5.727,872 6.258,873 6.595,874 7.038,875 7.319,876 7.58,877 7.931,878 0.889,879 48,880 11.41,881 4.982,882 8.118,883 20.876,884 16.971,885 2.618,886 81.167,889 1,890 129.482,891 201.402,892 58.477,894 118.575,896 76.47,897 124.932,898 248.057,899 58.477,900 5.67,901 36.022,902 104.239,903 90.248,904 14.029,905 1.03,906 160.76,907 95.939,908 129.482,909 183.409,910 118.575,911 76.47,913 129.482,914 67.828,915 50.747,917 39.095,918 121.858,919 22.456,920 76.47,921 129.482,922 177.052,923 201.402,926 129.482,927 51.971,928 109.909,929 36.022,930 180.553,931 129.482,932 177.052,933 201.402,935 0.589,936 0.339,937 0.176,938 0.094,939 23,940 11,941 0.083,942 4,943 1,944 1.095,945 4.275,946 273.704,947 0.095,948 21,949 147.58,950 1,951 1,954 21.153,955 8.956,956 4.811,957 1.84,958 171.382,959 17.702,960 4.552,963 1.454,964 1.949,966 78.705,967 507.936,968 49,970 -0.54,973 33.753,974 5.198,977 -0.457,980 46.287,981 49.747,983 0.338,984 0.652,985 0.794,986 0.94,987 0.96,988 0.96,989 5.139,990 1.532,991 5.948,992 5.215,993 4.575,994 5.244,995 2.973,996 6.749,997 4.48,998 6.374,999 1.463,1000 7.506,1001 4.312,1002 4.205,1003 5.139,1004 2.587,1005 7.612,1006 4.048,1007 7.694,1008 1.414,1009 9.159,1010 3.544,1011 6.168,1012 7.498,1013 4.375,1014 10.682,1015 5.985,1016 9.048,1017 1.007,1018 10.867,1019 3.169,1020 6.581,1021 8.188,1022 4.633,1023 12.345,1024 6.335,1025 10.43,1026 1,1027 12.608,1028 2.644,1029 8.032,1030 10.036,1031 6.048,1032 14.922,1033 7.766,1034 11.832,1035 1,1036 14.373,1037 2.532,1038 8.803,1039 11.105,1040 6.618,1041 16.927,1042 8.473,1043 13.25,1044 0.347,1045 16.154,1046 2.275,1047 10.045,1048 12.738,1049 7.84,1050 19.324,1051 9.69,1052 3.124,1053 0.194,1054 17.948,1055 0.86,1056 10.986,1057 13.998,1058 8.578,1059 21.486,1060 10.568,1061 2.884,1062 10.355,1063 19.751,1064 0.468,1065 12.141,1066 15.534,1067 9.691,1068 23.819,1069 11.691,1070 2.79,1071 8.934,1072 21.562,1073 4.454,1074 13.164,1075 16.893,1076 10.523,1077 26.057,1078 12.653,1079 2.638,1080 8.755,1081 23.378,1082 3.981,1083 14.284,1084 18.386,1085 11.573,1086 28.37,1087 13.733,1088 2.404,1089 8.016,1090 25.201,1091 3.924,1092 15.349,1093 19.797,1094 12.459,1095 30.646,1096 14.738,1097 1.994,1098 7.173,1099 27.027,1100 3.508,1101 16.457,1102 21.274,1103 13.472,1104 32.957,1105 15.8,1106 1.841,1107 5.612,1108 28.858,1109 3.071,1110 17.544,1111 22.713,1112 14.389,1113 35.255,1114 16.827,1115 13490,1116 25988,1117 22.482,1118 33.943,1119 51.774,1120 54.606,1121 52.864,1122 51.289,1123 51.267,1124 72.223,1125 11.032,1126 147.731,1127 48.776,1128 5.443,1129 5.842,1130 6.224,1131 5.167,1132 5.124,1133 7.454,1134 4.612,1135 17.263,1136 4.928,1137 16.692,1138 1.523,1139 1.606,1140 1.555,1141 1.508,1142 1.508,1143 2.124,1144 0.324,1145 4.345,1146 1.435,1147 4.085,1148 4.099,1149 4.332,1150 4.076,1151 7.815,1152 4.034,1153 3.993,1154 4.016,1155 3.999,1156 3.878,1157 7.429,1158 3.885,1159 3.867,1160 3.893,1161 3.909,1162 3.799,1163 6.999,1164 3.797,1165 3.607,1166 3.63,1167 3.751,1168 3.411,1169 6.469,1170 3.381,1171 3.398,1172 3.429,1173 3.514,1174 3.258,1175 4.98,1176 3.217,1177 3.271,1178 3.303,1179 3.43,1180 3.107,1181 4.862,1182 3.126,1183 3.046,1184 3.073,1185 3.045,1186 2.795,1187 4.654,1188 2.796,1189 2.884,1190 2.94,1191 2.903,1192 2.743,1193 4.537,1194 2.769,1195 0.134,1196 0.113,1197 0.192,1198 0.119,1199 0.092,1200 4.544,1201 0.131,1202 3.842,1203 0.077,1204 6.541,1205 0.305,1206 4.058,1207 0.086,1208 3.124,1209 4.454,1210 2.612,1211 10.355,1212 2.928,1213 1.928,1214 1.906,1215 2.015,1216 2.087,1217 1.115,1218 2.051,1219 1.899,1220 1.886,1221 1.985,1222 1.995,1223 1.094,1224 1.991,1225 1.897,1226 1.873,1227 1.963,1228 1.957,1229 1.082,1230 1.976,1231 1.417,1232 1.393,1233 1.436,1234 1.745,1235 0.478,1236 1.659,1237 1.257,1238 1.247,1239 1.268,1240 1.52,1241 0.386,1242 1.476,1243 1.154,1244 1.135,1245 1.22,1246 1.331,1247 0.218,1248 1.343,1249 0.917,1250 0.885,1251 1.181,1252 1.214,1253 0.208,1254 1.171,1255 0.886,1256 0.847,1257 1.11,1258 1.062,1259 0.188,1260 1.107,1261 4.234,1263 5.565,1264 2.398,1265 7.077,1266 4.727,1267 8.671,1268 6.843,1269 10.305,1276 10.292,1278 5.425,1289 32.953,1290 83.592,1291 161.026,1292 196.325,1293 232.379,1294 237.133,1295 237.133,1296 65.669,1297 7.777,1298 120.07,1299 180.4,1300 23,1301 12.616,1302 4.755,1303 4,1304 49.696,1305 146,1306 144,1307 0.163,1308 210.004,1309 360.68,1310 504.169,1311 28352,1313 21.957,1314 0.708,1315 0.56,1316 22.811,1317 17.367,1318 14.902,1319 0.438,1320 0.3,1321 8.949,1322 13.639,1323 8.697,1324 7.188,1325 15.599,1326 10.188,1327 13.829,1328 0.288,1329 0.164,1330 14.88,1331 7.87,1332 11.324,1333 0.183,1334 0.091,1335 12.365,1336 5.62,1337 9.321,1338 0.118,1339 0.051,1340 10.609,1341 4.046,1342 7.197,1343 0.074,1344 0.028,1345 8.215,1346 2.707,1347 0.263,1348 100.659,1349 0.211,1350 29.581,1351 0.428,1352 164,1353 567.033,1354 220.815,1355 593.584,1356 787.74,1357 546,1358 192,1359 547.47,1360 239.814,1361 573.423,1362 833.43,1363 538,1364 6.215}
{0 CHEMBL461139,1 1.538,2 14.194,3 2.929,4 8.576,5 117.699,6 7.658,7 0.629,8 4.109,9 4.223,10 3.709,11 3.654,12 5.221,13 3.648,14 4.629,15 4.792,16 4.046,17 4.044,18 5.704,19 4.016,20 4.847,21 5.046,22 4.037,23 4.164,24 5.855,25 4.091,26 4.885,27 5.125,28 3.901,29 4.123,30 5.847,31 4.008,32 4.795,33 5.052,34 3.809,35 4.039,36 5.671,37 3.924,38 4.646,39 4.854,40 3.821,41 3.978,42 5.655,43 3.892,44 4.686,45 4.922,46 3.708,47 3.902,48 5.66,49 3.801,50 4.513,51 4.752,52 3.571,53 3.736,54 5.499,55 3.636,56 0.038,57 0.817,58 10.511,59 4.644,60 9.638,61 5.891,62 0.294,63 1.324,64 19.984,65 7.524,66 24.109,67 9.767,68 0.305,69 1.555,70 26.485,71 9.979,72 32.98,73 13.427,74 0.353,75 1.551,76 29.282,77 11.13,78 45.952,79 15.666,80 0.255,81 1.408,82 27.499,83 10.457,84 31.655,85 14.879,86 0.121,87 1.271,88 21.417,89 8.674,90 26.378,91 11.94,92 0.261,93 1.251,94 24.207,95 8.948,96 35.641,97 12.293,98 0.249,99 1.055,100 20.411,101 7.614,102 31.692,103 10.611,104 2,105 48,106 0.251,107 0.62,108 0.795,109 0.848,110 0.848,111 0.848,112 3.471,113 0.884,114 -3.89,115 -3.85,116 -3.65,118 44.4,124 5,132 2,138 7,139 4,141 1,142 2,145 1,149 1,155 1,167 11,170 1,171 8,173 1,174 1,175 2,178 12,181 1,182 7,186 2,188 12,192 4,195 3,199 8,203 1,204 8,208 2,211 6,215 7,220 4,223 7,227 1,228 6,235 7,240 4,243 2,245 2,247 6,251 1,252 5,257 2,260 5,264 1699,265 21.532,266 21.532,267 21.532,268 21.532,269 21.532,270 18.861,271 13.16,272 12.909,273 22.091,274 17.342,275 17.342,276 17.342,277 17.342,278 17.342,279 13.302,280 15.932,281 6.219,282 18.221,283 4.216,284 1.957,285 0.882,286 0.556,287 0.556,288 0.556,289 4.187,293 1,294 1,295 987,296 2.739,299 68.823,300 418.401,303 134.981,307 2.329,308 22.479,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 66.5,320 440,321 4.583,322 3.177,323 6.557,324 4.098,325 3.134,326 4.535,327 0.916,328 10.403,329 3.023,330 4.165,331 3.03,332 6.068,333 3.74,334 2.763,335 3.803,336 0.86,337 8.784,338 2.704,339 4.061,340 2.789,341 5.618,342 3.688,343 2.714,344 3.66,345 0.172,346 7.792,347 2.649,348 3.734,349 2.631,350 5.386,351 3.439,352 2.483,353 3.123,355 7.076,356 2.37,357 3.586,358 2.398,359 5.249,360 3.247,361 2.292,362 2.867,364 6.667,365 2.182,366 3.359,367 2.26,368 5.019,369 3.025,370 2.055,371 2.677,373 5.849,374 1.984,375 3.29,376 2.053,377 4.944,378 2.836,379 1.917,380 2.389,382 5.636,383 1.752,384 3.024,385 1.988,386 4.272,387 2.481,388 1.535,389 2.266,391 3.953,392 1.451,393 2.799,394 1.534,395 4.013,396 2.287,397 1.421,398 1.921,400 3.218,401 1.249,402 2.5,403 1.313,404 3.594,405 2.256,406 1.308,407 1.5,409 3.041,410 1.208,411 2.5,412 1.256,413 3.487,414 2,415 1,416 1.5,417 2.488,418 1,419 2.463,420 1,421 3.414,422 1.954,423 1,424 1.45,425 2.275,426 0.952,427 2.349,428 1,429 3.247,430 1.952,431 1,432 1.088,433 2.136,434 0.946,435 2.064,436 0.769,437 3.247,438 1.691,439 0.702,440 1,441 1.659,442 0.693,443 2,444 0.763,445 3.213,446 1.54,447 0.621,448 0.878,449 1.587,450 0.568,451 14.667,452 0.473,453 0.602,454 0.019,455 43,456 1.387,457 22,458 0.71,459 21,460 0.677,461 22.409,462 0.723,463 32.133,464 0.595,465 31.539,466 1.017,467 8.691,468 0.28,469 6.551,470 0.211,471 0.023,473 0.3,478 0.947,479 1.319,480 0.763,481 1.041,482 0.913,483 0.903,484 1.135,485 0.993,486 0.953,487 0.893,488 0.753,489 0.893,490 1.047,491 1.087,492 1.063,493 1.049,494 0.912,495 1.058,496 0.639,497 0.959,498 0.964,499 1.037,500 0.823,501 1.049,502 0.591,503 0.852,504 0.815,505 0.882,506 0.501,507 0.882,508 0.685,509 1.151,510 0.957,511 1.153,512 0.677,513 1.102,514 0.982,515 0.958,516 0.999,517 1.012,518 1.022,519 1.013,520 0.785,521 0.962,522 0.9,523 0.981,524 0.776,525 0.969,526 5.5,527 0.152,528 2.667,529 1.319,530 1.619,531 0.566,532 0.384,533 0.435,534 0.149,535 0.145,536 16286,537 41185,538 2.2,539 42.6,541 19,543 2,544 2,549 1.729,550 2.138,551 3.775,552 0.193,554 1,558 83.073,559 1.538,560 3.798,561 4.872,562 5.199,563 5.199,564 5.199,565 3.244,566 4.543,567 4.926,568 3.979,569 1850.23,570 8.562,571 28109.1,573 1,575 1,576 310.764,577 1.058,578 4.918,579 0.157,580 0.006,581 0.056,582 0.029,583 0.042,584 0.015,585 0.01,586 0.014,587 0.005,588 0.006,589 0.34,590 0.33,591 0.88,592 0.32,593 165.421,594 -0.071,595 -0.188,596 0.054,597 -0.042,598 -0.082,599 0.012,600 -0.061,601 0.114,602 -0.053,603 0.067,604 0.016,605 0.016,606 -0.097,607 -0.067,608 -0.126,609 -0.065,610 -0.021,611 -0.095,612 0.11,613 -0.004,614 0.006,615 -0.032,616 0.096,617 -0.031,618 0.057,619 0.077,620 0.168,621 0.137,622 0.092,623 0.163,624 -0.008,625 -0.155,626 -0.039,627 -0.142,628 0.041,629 -0.101,630 -0.047,631 -0.013,632 -0.009,633 -0.013,634 -0.042,635 -0.007,636 0.094,637 -0.022,638 0.09,639 0.023,640 0.138,641 0.045,642 1.602,643 3.94,644 0.871,645 36.691,646 1.002,647 1.123,648 2.66,649 7.074,650 0.681,651 3.584,652 3.892,653 4.159,654 4.419,655 4.654,656 4.682,657 4.804,658 4.956,659 5.004,660 5.075,661 8.362,662 0.653,663 413.52,664 3.584,665 5.118,666 5.964,667 6.83,668 7.689,669 8.56,670 9.427,671 10.301,672 11.172,673 12.049,674 9.3,677 1,682 1,684 3,689 2,690 9,691 3,692 1,695 6,697 22,713 1,716 54,718 23,719 1,720 35,722 58,723 24,724 17,725 2,726 4,727 2,728 5,729 6,740 19,741 5,744 1,751 2,757 1,760 23,761 6,762 2,763 7,769 5,775 0.8,776 2,787 1,788 1,789 1,793 1,794 4,797 1,811 2,816 1,818 1,819 4,827 31,832 1,833 5,835 1,838 1,850 3.7,852 1,854 1,858 14.5,859 9.583,860 6.75,861 3.169,863 4.978,864 1.606,865 1.009,866 5.656,867 13.193,868 3.871,869 4.48,870 5.101,871 5.71,872 6.277,873 6.615,874 7.069,875 7.55,876 7.898,877 8.294,878 1,879 46,880 11.42,881 4.865,882 7.624,883 22.072,884 18.254,885 2.124,886 65.833,889 1,890 247.193,891 137.813,892 70.266,894 53.683,897 137.813,898 300.876,899 70.266,901 15.502,902 85.286,903 136.201,904 48.316,906 223.651,908 247.193,909 208.079,910 53.683,913 248.908,914 42.683,915 11,917 58.591,918 78.463,919 69.309,921 247.193,922 123.95,923 137.813,926 247.193,927 34.86,928 106.077,929 16.786,930 104.04,931 247.193,932 123.95,933 137.813,935 0.577,936 0.333,937 0.181,938 0.101,939 24,940 9,941 0.086,942 5,943 1,944 1.074,945 4.516,946 274.497,947 0.074,948 27,949 145.58,954 19.738,955 8.883,956 4.606,957 1.112,958 107.164,959 17.513,960 13.113,961 2.688,964 5.012,966 59.469,967 508.955,968 47,975 4.05,980 54.116,981 60.647,983 0.267,984 0.66,985 0.847,986 0.903,987 0.903,988 0.903,989 5.091,990 1.535,991 5.922,992 5.636,993 4.575,994 5.168,995 1.382,996 6.688,997 4.488,998 6.285,999 1.421,1000 7.445,1001 3.953,1002 4.007,1003 4.856,1004 0.325,1005 7.455,1006 3.899,1007 7.576,1008 1.308,1009 9.064,1010 3.218,1011 6.125,1012 7.382,1013 1.115,1014 10.548,1015 5.972,1016 8.905,1017 1,1018 10.742,1019 3.041,1020 6.399,1021 7.96,1022 0.393,1023 12.174,1024 6.23,1025 10.268,1026 1,1027 12.458,1028 2.488,1029 7.941,1030 9.906,1031 0.921,1032 14.756,1033 7.731,1034 11.655,1035 1,1036 14.202,1037 2.275,1038 8.623,1039 10.929,1040 0.384,1041 16.758,1042 8.393,1043 13.063,1044 0.702,1045 15.965,1046 2.136,1047 9.915,1048 12.62,1049 0.764,1050 19.165,1051 9.647,1052 3.134,1053 0.621,1054 17.745,1055 1.659,1056 10.808,1057 13.877,1058 0.351,1059 21.342,1060 10.514,1061 2.763,1062 10.403,1063 19.538,1064 1.587,1065 11.989,1066 15.454,1067 0.634,1068 23.69,1069 11.66,1070 2.714,1071 8.784,1072 21.342,1073 4.535,1074 12.992,1075 16.832,1076 0.312,1077 25.948,1078 12.631,1079 2.483,1080 7.792,1081 23.154,1082 3.803,1083 14.128,1084 18.36,1085 0.525,1086 28.279,1087 13.732,1088 2.292,1089 7.076,1090 24.975,1091 3.66,1092 15.187,1093 19.8,1094 0.273,1095 30.576,1096 14.758,1097 2.055,1098 6.667,1099 26.803,1100 3.123,1101 16.308,1102 21.309,1103 0.433,1104 32.905,1105 15.843,1106 1.917,1107 5.849,1108 28.636,1109 2.867,1110 17.398,1111 22.781,1112 0.236,1113 35.221,1114 16.897,1115 14824,1116 23785,1117 24.444,1118 36.79,1119 52.67,1120 52.524,1121 52.486,1122 52.129,1123 52.07,1124 69.528,1125 3.898,1126 145.585,1127 49.636,1128 5.583,1129 5.177,1130 6.359,1131 5.202,1132 5.134,1133 7.535,1134 1.776,1135 17.208,1136 5.023,1137 7.64,1138 1.505,1139 1.501,1140 1.5,1141 1.489,1142 1.488,1143 1.987,1144 0.111,1145 4.16,1146 1.418,1147 4.106,1148 4.143,1149 4.08,1150 3.993,1151 6.474,1152 4.008,1153 3.967,1154 4.002,1155 3.906,1156 3.893,1157 5.081,1158 3.893,1159 3.831,1160 3.876,1161 3.776,1162 3.711,1163 4.88,1164 3.723,1165 3.738,1166 3.788,1167 3.627,1168 3.54,1169 4.738,1170 3.553,1171 3.401,1172 3.457,1173 3.324,1174 3.276,1175 4.611,1176 3.275,1177 3.28,1178 3.341,1179 3.182,1180 3.079,1181 4.407,1182 3.103,1183 3.111,1184 3.206,1185 2.905,1186 2.941,1187 4.153,1188 2.91,1189 3.052,1190 3.119,1191 2.866,1192 2.875,1193 3.874,1194 2.869,1195 0.131,1196 0.091,1197 0.187,1198 0.117,1199 0.09,1200 4.583,1201 0.13,1202 3.177,1203 0.026,1204 6.557,1205 0.297,1206 4.098,1207 0.086,1208 3.134,1209 4.535,1210 0.916,1211 10.403,1212 3.023,1213 1.963,1214 1.936,1215 2.072,1216 2.055,1217 1.272,1218 2.062,1219 1.866,1220 1.838,1221 1.964,1222 2.029,1223 1.127,1224 1.994,1225 1.813,1226 1.773,1227 1.9,1228 1.981,1229 1.046,1230 1.974,1231 1.689,1232 1.632,1233 1.875,1234 1.894,1235 0.923,1236 1.898,1237 1.407,1238 1.367,1239 1.572,1240 1.54,1241 0.825,1242 1.549,1243 1.227,1244 1.175,1245 1.513,1246 1.412,1247 0.721,1248 1.429,1249 1.153,1250 1.064,1251 1.389,1252 1.376,1253 0.489,1254 1.409,1255 1.032,1256 0.966,1257 1.318,1258 1.261,1259 0.363,1260 1.281,1261 4.263,1263 5.572,1264 2.398,1265 7.074,1266 4.727,1267 8.659,1268 6.862,1269 10.284,1276 9.94,1277 4.579,1279 5.411,1282 2.415,1289 35.278,1290 83.073,1291 205.085,1292 263.112,1293 280.764,1294 280.764,1295 280.764,1296 40.28,1297 8.215,1298 87.16,1299 87.16,1300 29,1301 12.588,1302 4.585,1303 3.7,1304 44.047,1305 157,1306 153,1307 0.133,1308 213.782,1309 361.9,1310 513.389,1311 52121,1313 21.045,1314 0.679,1315 0.549,1316 21.045,1317 17.031,1318 15.242,1319 0.435,1320 0.295,1321 10.16,1322 14.661,1323 9.976,1324 8.212,1325 15.242,1326 10.311,1327 13.56,1328 0.283,1329 0.158,1330 13.56,1331 7.563,1332 11.582,1333 0.184,1334 0.086,1335 11.582,1336 5.405,1337 9.676,1338 0.118,1339 0.045,1340 9.676,1341 3.693,1342 8.018,1343 0.077,1344 0.025,1345 8.018,1346 2.551,1347 0.218,1348 95.414,1349 0.202,1350 29.958,1351 0.341,1352 166,1353 460.799,1354 180.501,1355 449.012,1356 623.58,1357 424,1358 194,1359 462.498,1360 208.92,1361 471.415,1362 688.94,1363 444,1364 5.77}
{0 CHEMBL461140,1 1.545,2 14.167,3 3.29,4 10.821,5 114.564,6 7.576,7 0.667,8 4.075,9 4.193,10 3.659,11 3.601,12 5.226,13 3.595,14 4.565,15 4.74,16 3.982,17 3.961,18 5.672,19 3.939,20 4.746,21 4.931,22 3.978,23 4.067,24 5.826,25 4.007,26 4.823,27 5.062,28 3.857,29 4.025,30 5.836,31 3.924,32 4.716,33 4.965,34 3.738,35 3.927,36 5.636,37 3.825,38 4.545,39 4.756,40 3.777,41 3.877,42 5.586,43 3.811,44 4.579,45 4.781,46 3.701,47 3.889,48 5.628,49 3.798,50 4.605,51 4.856,52 3.569,53 3.793,54 5.585,55 3.665,56 0.038,57 0.795,58 10.458,59 4.487,60 9.889,61 5.788,62 0.284,63 1.239,64 19.347,65 6.982,66 23.306,67 9.319,68 0.272,69 1.392,70 23.828,71 9.011,72 31.445,73 11.963,74 0.377,75 1.407,76 28.144,77 10.317,78 49.112,79 14.379,80 0.3,81 1.271,82 25.692,83 9.3,84 34.945,85 13.041,86 0.157,87 1.166,88 19.725,89 7.365,90 23.445,91 10.279,92 0.2,93 1.182,94 20.279,95 7.859,96 28.834,97 10.669,98 0.267,99 1.129,100 22.65,101 8.617,102 36.945,103 12.323,104 14,105 45,106 0.254,107 0.62,108 0.795,109 0.849,110 0.849,111 0.849,112 3.44,113 0.876,114 -3.95,115 -3.9,116 -3.7,118 43.4,123 2,124 2,132 2,138 7,139 3,140 1,141 1,142 2,145 1,149 1,155 1,167 9,170 1,171 9,173 1,174 1,175 2,178 10,181 1,182 7,186 2,188 11,192 3,195 3,199 7,203 1,204 9,208 2,211 5,215 7,220 4,223 7,227 1,228 3,235 6,239 1,240 5,243 2,245 2,247 5,252 5,257 2,260 4,264 1626,265 20.378,266 20.378,267 20.378,268 20.378,269 20.378,270 17.706,271 10.715,272 12.192,273 20.925,274 16.325,275 16.325,276 16.325,277 16.325,278 16.325,279 12.275,280 11.521,281 5.854,282 17.194,283 4.183,284 1.956,285 0.89,286 0.557,287 0.557,288 0.557,289 4.139,293 1,294 1,295 923,296 3.464,299 67.317,300 300.782,303 132.001,307 2.378,308 21.085,311 1,312 1,313 1,314 0.6,315 0.5,316 1,317 1,318 0.87,319 64.5,320 425,321 4.583,322 3.177,323 6.557,324 4.098,325 3.134,326 4.535,327 0.86,328 10.403,329 3.023,330 4.164,331 2.912,332 6.068,333 3.732,334 2.757,335 3.802,336 0.8,337 8.784,338 2.687,339 4.049,340 2.786,341 5.505,342 3.627,343 2.653,344 3.656,346 7.421,347 2.59,348 3.712,349 2.575,350 5.313,351 3.3,352 2.348,353 3.12,355 6.833,356 2.233,357 3.505,358 2.436,359 5.109,360 3.162,361 2.234,362 2.833,364 6.298,365 2.071,366 3.338,367 2.276,368 5.014,369 3.054,370 2.115,371 2.669,373 5.64,374 1.973,375 3.207,376 2.039,377 4.648,378 2.837,379 1.919,380 2.274,382 5.15,383 1.752,384 3.026,385 1.546,386 4.272,387 2.481,388 1.535,389 2.212,391 3.954,392 1.45,393 2.801,394 1.491,395 4.013,396 2.266,397 1.313,398 1.923,400 3.218,401 1.246,402 2.5,403 1.308,404 3.489,405 2.019,406 1.107,407 1.5,409 2.493,410 1,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,417 2.35,418 1,419 2.402,420 1,421 3.342,422 1.954,423 1,424 1.241,425 2.275,426 0.952,427 2.122,428 0.766,429 3.247,430 1.653,431 0.668,432 0.987,433 1.587,434 0.656,435 2.064,436 0.714,437 3.127,438 1.54,439 0.621,440 0.878,441 1.558,442 0.568,443 1.218,444 0.247,445 2.558,446 0.94,451 14.167,452 0.472,453 0.677,454 0.023,455 42.5,456 1.417,457 22.5,458 0.75,459 20,460 0.667,461 20.74,462 0.691,463 31.433,464 0.593,465 31.775,466 1.059,467 8.713,468 0.29,469 5.868,470 0.196,471 0.094,473 0.311,478 0.962,479 1.372,480 0.784,481 1.082,482 0.962,483 0.935,484 1.074,485 0.905,486 0.876,487 0.819,488 0.698,489 0.807,490 1.177,491 1.125,492 1.074,493 1.106,494 1.034,495 1.084,496 0.854,497 0.921,498 0.929,499 0.991,500 0.941,501 0.982,502 0.915,503 0.874,504 0.866,505 0.856,506 0.64,507 0.863,508 0.831,509 1.081,510 0.902,511 0.985,512 0.69,513 0.951,514 0.954,515 1.102,516 1.14,517 1.173,518 1.122,519 1.184,520 0.505,521 1.004,522 0.889,523 1.094,524 0.657,525 1.066,526 6,527 0.148,528 2.889,529 1.257,530 1.468,531 0.754,532 0.407,533 0.414,534 0.227,535 0.14,536 13930,537 36169,538 2.107,539 43.4,541 19,543 2,544 2,549 1.721,550 2,551 3.76,552 0.21,553 1,554 1,558 81.886,559 1.545,560 3.772,561 4.838,562 5.171,563 5.171,564 5.171,565 3.236,566 4.523,567 4.874,568 3.978,569 1730.42,570 8.464,571 25799.6,573 1,575 1,576 303.58,577 1.295,578 4.851,579 0.182,580 0.007,581 0.064,582 0.029,583 0.04,584 0.022,585 0.011,586 0.013,587 0.008,588 0.006,589 0.383,590 0.33,591 1,592 1.15,593 158.754,594 -0.073,595 -0.222,596 0.048,597 -0.067,598 -0.125,599 -0.006,600 -0.022,601 0.212,602 0.041,603 0.145,604 0.076,605 0.112,606 -0.103,607 -0.098,608 -0.14,609 -0.11,610 -0.062,611 -0.128,612 0.097,613 0.015,614 0.061,615 0.013,616 0.081,617 0.026,618 -0.024,619 0.051,620 0.13,621 0.151,622 0.048,623 0.157,624 -0.063,625 -0.046,626 0.025,627 0.009,628 0.057,629 0.03,630 -0.105,631 -0.082,632 -0.217,633 -0.172,634 -0.16,635 -0.206,636 0.228,637 -0.086,638 0.09,639 -0.077,640 0.183,641 -0.03,642 1.609,643 3.918,644 0.7,645 37.053,646 1.002,647 1.125,648 2.717,649 7.38,650 0.675,651 3.526,652 3.829,653 4.06,654 4.304,655 4.533,656 4.605,657 4.7,658 4.836,659 4.905,660 4.956,661 8.314,662 0.647,663 401.51,664 3.526,665 5.056,666 5.889,667 6.751,668 7.603,669 8.472,670 9.335,671 10.209,672 11.079,673 11.956,674 9.4,677 1,682 1,684 3,689 2,690 9,691 3,692 1,695 6,697 22,713 1,714 1,716 53,718 23,719 1,720 33,722 56,723 23,724 17,725 2,726 4,727 2,728 4,729 5,740 19,741 4,744 1,751 2,757 1,760 23,761 6,762 2,763 7,769 5,775 0.75,776 2,787 1,788 1,789 1,793 1,794 3,797 1,811 2,816 1,819 3,823 2,827 30,832 1,833 2,835 1,838 1,850 3.8,852 1,855 1,858 15,859 10.083,860 6.583,861 2.953,863 4.921,864 1.624,865 0.979,866 6.076,867 12.806,868 3.829,869 4.446,870 5.063,871 5.676,872 6.248,873 6.595,874 7.042,875 7.518,876 7.874,877 8.268,878 1,879 43,880 11.016,881 4.579,882 7.678,883 21.037,884 16.778,885 2.178,886 65.333,889 1,890 247.193,891 147.859,892 70.266,894 53.683,897 147.859,898 300.876,899 70.266,900 16.793,901 6.698,902 85.286,903 125.201,904 61.373,906 223.651,908 247.193,909 218.126,910 53.683,913 248.908,914 53.683,917 49.787,918 97.314,919 69.309,921 247.193,922 123.95,923 147.859,926 247.193,927 28.114,928 122.869,929 16.786,930 104.04,931 247.193,932 123.95,933 147.859,935 0.576,936 0.319,937 0.167,938 0.093,939 21,940 9,941 0.125,942 7,943 1,944 1.095,945 4.35,946 254.024,947 0.095,948 21,949 139.207,954 20.081,955 9.077,956 5.054,957 1.095,958 107.164,959 16.791,960 13.051,961 2.679,964 4.439,966 59.469,967 519.002,968 45,975 3.963,980 53.116,981 59.647,983 0.27,984 0.658,985 0.845,986 0.903,987 0.903,988 0.903,989 5.04,990 1.535,991 5.855,992 5.15,993 4.511,994 5.133,995 1.235,996 6.616,997 4.418,998 6.247,999 1.313,1000 7.38,1001 3.954,1002 4.007,1003 4.856,1004 0.325,1005 7.402,1006 3.874,1007 7.541,1008 1.107,1009 9,1010 3.218,1011 6.057,1012 7.363,1013 0.938,1014 10.474,1015 5.891,1016 8.873,1017 1,1018 10.678,1019 2.493,1020 6.365,1021 7.953,1022 0.268,1023 12.114,1024 6.168,1025 10.238,1026 1,1027 12.395,1028 2.35,1029 7.87,1030 9.896,1031 0.732,1032 14.694,1033 7.645,1034 11.627,1035 0.668,1036 14.139,1037 2.275,1038 8.571,1039 10.924,1040 0.188,1041 16.71,1042 8.317,1043 13.036,1044 0.621,1045 15.904,1046 1.587,1047 9.845,1048 12.615,1049 0.57,1050 19.121,1051 9.562,1052 3.134,1054 17.686,1055 1.558,1056 10.751,1057 13.874,1058 0.125,1059 21.309,1060 10.437,1061 2.757,1062 10.403,1063 19.482,1065 11.924,1066 15.451,1067 0.438,1068 23.662,1069 11.581,1070 2.653,1071 8.784,1072 21.289,1073 4.535,1074 12.936,1075 16.83,1076 0.082,1077 25.927,1078 12.559,1079 2.348,1080 7.421,1081 23.105,1082 3.802,1083 14.07,1084 18.358,1085 0.334,1086 28.262,1087 13.662,1088 2.234,1089 6.833,1090 24.93,1091 3.656,1092 15.137,1093 19.798,1094 0.054,1095 30.563,1096 14.692,1097 2.115,1098 6.298,1099 26.761,1100 3.12,1101 16.259,1102 21.308,1103 0.252,1104 32.894,1105 15.781,1106 1.919,1107 5.64,1108 28.599,1109 2.833,1110 17.354,1111 22.78,1112 0.035,1113 35.213,1114 16.84,1115 13237,1116 21559,1117 22.364,1118 35.79,1119 49.766,1120 49.114,1121 49.869,1122 48.889,1123 48.81,1124 66.26,1125 3.32,1126 135.93,1127 46.402,1128 5.446,1129 5.177,1130 6.117,1131 5.171,1132 5.134,1133 7.535,1134 1.72,1135 17.208,1136 5.023,1137 13.449,1138 1.508,1139 1.488,1140 1.511,1141 1.481,1142 1.479,1143 2.008,1144 0.101,1145 4.119,1146 1.406,1147 4.104,1148 4.141,1149 4.079,1150 3.989,1151 6.474,1152 4.006,1153 3.945,1154 3.972,1155 3.89,1156 3.867,1157 5.081,1158 3.869,1159 3.816,1160 3.853,1161 3.765,1162 3.701,1163 4.898,1164 3.713,1165 3.661,1166 3.744,1167 3.516,1168 3.437,1169 4.82,1170 3.445,1171 3.396,1172 3.453,1173 3.322,1174 3.253,1175 4.441,1176 3.256,1177 3.282,1178 3.344,1179 3.179,1180 3.071,1181 4.392,1182 3.094,1183 3.16,1184 3.237,1185 2.967,1186 2.952,1187 4.241,1188 2.941,1189 2.897,1190 3.009,1191 2.832,1192 2.735,1193 3.999,1194 2.715,1195 0.139,1196 0.096,1197 0.199,1198 0.124,1199 0.095,1200 4.583,1201 0.137,1202 3.177,1203 0.026,1204 6.557,1205 0.315,1206 4.098,1207 0.092,1208 3.134,1209 4.535,1210 0.86,1211 10.403,1212 3.023,1213 1.942,1214 1.919,1215 2.04,1216 2.033,1217 1.138,1218 2.035,1219 1.852,1220 1.826,1221 1.943,1222 2.027,1223 1.087,1224 1.991,1225 1.81,1226 1.771,1227 1.882,1228 1.951,1229 1.029,1230 1.947,1231 1.615,1232 1.535,1233 1.87,1234 1.862,1235 0.919,1236 1.873,1237 1.39,1238 1.35,1239 1.577,1240 1.545,1241 0.7,1242 1.552,1243 1.225,1244 1.167,1245 1.508,1246 1.461,1247 0.586,1248 1.474,1249 1.161,1250 1.081,1251 1.417,1252 1.348,1253 0.469,1254 1.366,1255 0.934,1256 0.844,1257 1.367,1258 1.239,1259 0.371,1260 1.308,1261 4.205,1263 5.509,1264 2.398,1265 6.997,1266 4.727,1267 8.568,1268 6.862,1269 10.186,1271 4.047,1276 9.918,1277 1.542,1279 5.722,1282 2.087,1289 34.278,1290 81.886,1291 199.9,1292 256.419,1293 274.07,1294 274.07,1295 274.07,1296 42.646,1297 7.884,1298 87.16,1299 87.16,1300 23,1301 12.496,1302 4.585,1303 3.7,1304 47.498,1305 149,1306 160,1307 0.152,1308 211.583,1309 356.96,1310 508.023,1311 33389,1313 20.924,1314 0.697,1315 0.564,1316 20.924,1317 16.909,1318 14.581,1319 0.442,1320 0.292,1321 9.481,1322 13.991,1323 9.204,1324 7.694,1325 14.581,1326 9.635,1327 13.145,1328 0.292,1329 0.159,1330 13.145,1331 7.153,1332 10.585,1333 0.186,1334 0.081,1335 10.585,1336 4.602,1337 8.65,1338 0.118,1339 0.041,1340 8.65,1341 2.962,1342 7.006,1343 0.076,1344 0.021,1345 7.006,1346 1.94,1347 0.249,1348 91.521,1349 0.211,1350 29.185,1351 0.389,1352 156,1353 450.799,1354 170.5,1355 440.483,1356 608.94,1357 414,1358 180,1359 453.612,1360 194.696,1361 463.735,1362 671.68,1363 434,1364 5.854}
{0 CHEMBL464552,1 1.705,2 13.282,3 3.582,4 12.832,5 146.018,6 7.833,7 0.512,8 4.338,9 4.466,10 3.94,11 3.803,12 5.502,13 3.818,14 4.868,15 5.055,16 4.32,17 4.196,18 6.012,19 4.197,20 5.056,21 5.235,22 4.419,23 4.335,24 6.24,25 4.322,26 5.189,27 5.394,28 4.486,29 4.357,30 6.484,31 4.341,32 5.204,33 5.413,34 4.396,35 4.351,36 6.39,37 4.335,38 5.181,39 5.389,40 4.423,41 4.424,42 6.317,43 4.38,44 5.271,45 5.504,46 4.445,47 4.439,48 6.349,49 4.386,50 5.233,51 5.467,52 4.417,53 4.344,54 6.455,55 4.302,56 0.14,57 1.145,58 13.017,59 5.346,60 11.905,61 7.044,62 0.598,63 1.77,64 26.231,65 8.877,66 38.466,67 12.021,68 0.595,69 2.097,70 31.387,71 11.003,72 54.569,73 14.684,74 1.037,75 2.227,76 38.99,77 12.605,78 120.109,79 17.169,80 1.107,81 2.207,82 40.42,83 10.99,84 114.841,85 14.934,86 0.833,87 2.287,88 37.677,89 12.764,90 82.724,91 17.538,92 0.818,93 2.357,94 42.849,95 13.696,96 73.703,97 20.019,98 1.225,99 2.253,100 42.727,101 12.703,102 110.6,103 18.261,104 64,105 62,106 0.266,107 0.643,108 0.815,109 0.874,110 0.874,111 0.874,112 3.693,113 0.861,114 -3.75,115 -3.71,116 -3.53,118 39.7,120 1,123 4,124 2,138 6,139 3,140 5,143 1,146 1,147 1,153 2,156 1,167 5,170 2,171 7,173 5,175 7,178 5,181 2,182 5,184 1,186 3,188 3,192 10,195 4,196 4,197 5,199 2,203 3,204 8,208 3,211 3,214 3,215 7,218 2,220 7,223 3,227 1,228 5,231 3,233 5,235 3,239 4,240 3,243 5,244 2,245 4,247 4,251 2,252 3,257 2,260 5,264 3005,265 26.273,266 26.273,267 26.273,268 26.273,269 26.273,270 23.417,271 39.545,272 15.139,273 27.026,274 21.102,275 21.102,276 21.102,277 21.102,278 21.102,279 16.47,280 63.795,281 6.997,282 22.185,283 4.383,284 1.967,285 0.865,286 0.486,287 0.486,288 0.486,289 4.393,295 1114,296 4.472,299 181.801,300 318.607,303 315.729,307 1.893,308 49.981,311 0.5,312 0.67,313 0.67,314 0.6,315 0.5,316 0.67,317 1,318 0.66,319 86.5,320 518,321 4.574,322 3.793,323 6.729,324 4.167,325 3.204,326 4.503,327 1.989,328 10.944,329 3.084,330 4.488,331 3.644,332 6.721,333 4.125,334 3.156,335 4.128,336 1.058,337 10.873,338 3.064,339 4.436,340 3.253,341 6.535,342 4.004,343 3.037,344 4.109,345 0.86,346 10.317,347 2.926,348 4.026,349 3.148,350 6.141,351 3.714,352 2.762,353 3.354,354 0.835,355 9.034,356 2.624,357 3.674,358 2.934,359 5.595,360 3.351,361 2.387,362 3.043,363 0.543,364 7.253,365 2.301,366 3.561,367 2.855,368 5.335,369 3.148,370 2.208,371 2.881,372 0.4,373 6.66,374 2.09,375 3.507,376 2.48,377 5.271,378 3.113,379 2.189,380 2.793,381 0.4,382 6.606,383 2.013,384 3.403,385 2.458,386 4.952,387 2.974,388 2.007,389 2.65,391 5.386,392 1.908,393 3.194,394 2.403,395 4.87,396 2.881,397 1.941,398 2.456,400 5.308,401 1.813,402 3.106,403 1.997,404 4.807,405 2.727,406 1.789,407 2.26,409 5.177,410 1.665,411 2.952,412 1.963,413 4.534,414 2.603,415 1.64,416 1.988,417 4.559,418 1.571,419 2.69,420 1.76,421 3.976,422 2.219,423 1.232,424 1.741,425 2.912,426 1.211,427 2.606,428 1.347,429 3.78,430 2.111,431 1.153,432 1.655,433 2.741,434 1.102,435 2.314,436 1.312,437 3.733,438 2.069,439 1.087,440 1.231,441 2.719,442 1.059,443 2.234,444 1.129,445 3.699,446 1.936,447 1,448 1.163,449 2.461,450 0.928,451 17.986,452 0.461,453 1.062,454 0.027,455 52.25,456 1.34,457 25,458 0.641,459 27.25,460 0.699,461 34.987,462 0.897,463 42.614,464 0.627,465 48.504,466 1.244,467 10.734,468 0.275,469 8.048,470 0.206,471 0.164,473 0.406,477 1,478 0.782,479 1.409,480 0.738,481 1.157,482 0.565,483 0.965,484 0.832,485 0.905,486 0.753,487 0.786,488 0.573,489 0.747,490 1.008,491 1.277,492 0.942,493 1.147,494 1.003,495 1.048,496 0.924,497 1.029,498 0.859,499 1.043,500 1.023,501 0.965,502 1.472,503 1.015,504 1.18,505 0.848,506 1.47,507 0.917,508 0.901,509 1.037,510 0.984,511 1.032,512 0.808,513 1.026,514 0.706,515 1.101,516 0.856,517 1.055,518 0.599,519 0.993,520 0.824,521 0.855,522 0.9,523 0.921,524 0.764,525 0.929,526 8.5,527 0.282,528 4.667,529 3.507,530 2.467,531 1.466,532 1.234,533 0.871,534 0.622,535 0.478,536 22951,537 66143,538 2.064,539 42.6,541 22,542 1,544 4,546 2,549 1.798,550 1.902,551 3.673,552 1.504,558 115.929,559 1.705,560 4.121,561 5.223,562 5.602,563 5.602,564 5.602,565 3.097,566 5.01,567 5.259,568 3.86,569 2860.34,570 9.297,571 47506.8,576 413.947,577 1.497,578 5.202,579 0.198,580 0.006,581 0.075,582 0.053,583 0.036,584 0.023,585 0.019,586 0.013,587 0.01,588 0.01,589 0.443,590 0.17,591 0.63,592 1.22,593 216.448,594 -0.087,595 -0.258,596 0.044,597 -0.098,598 -0.053,599 -0.011,600 0.023,601 0.152,602 0.139,603 0.198,604 0.048,605 0.196,606 -0.066,607 -0.194,608 -0.04,609 -0.132,610 -0.066,611 -0.09,612 0.153,613 -0.007,614 0.111,615 -0.058,616 0.133,617 -0.007,618 -0.267,619 0.022,620 -0.19,621 0.081,622 -0.22,623 -0.011,624 -0.015,625 0.023,626 -0.057,627 -0.026,628 -0.012,629 -0.048,630 0.07,631 -0.163,632 0.095,633 -0.071,634 0.048,635 0.005,636 0.199,637 0.131,638 0.098,639 0.031,640 0.135,641 0.032,642 2.326,643 6.565,644 0.615,645 42.312,646 1.015,647 1.14,648 2.52,649 6.348,650 0.658,651 3.784,652 4.143,653 4.454,654 4.771,655 4.97,656 5.142,657 5.323,658 5.517,659 5.591,660 5.759,661 7.897,662 0.64,663 532.64,664 3.784,665 5.352,666 6.225,667 7.128,668 8.019,669 8.928,670 9.825,671 10.736,672 11.637,673 12.55,674 11.8,677 1,681 2,682 3,684 2,689 2,690 7,691 2,692 1,695 9,697 22,704 1,709 2,714 1,715 1,716 68,718 24,719 2,720 43,722 72,723 27,724 18,725 7,726 5,727 1,728 5,729 7,735 1,738 1,740 20,741 7,744 2,749 2,753 2,758 1,760 29,761 11,762 4,763 12,769 8,775 0.6,776 3,788 1,789 1,793 2,794 3,797 2,808 1,816 1,819 3,823 4,825 1,827 39,833 3,834 3,835 1,838 2,849 1,850 4.4,853 2,855 1,858 20.5,859 13.526,860 8.583,861 3.79,863 4.479,864 1.507,865 1.003,866 7.705,867 13.321,868 4.043,869 4.675,870 5.286,871 5.905,872 6.405,873 6.778,874 7.204,875 7.675,876 7.977,877 8.447,878 0.889,879 66,880 14.491,881 6.28,882 7.902,883 27.04,884 21.99,885 2.402,886 93.667,890 294.278,891 155.653,892 110.637,894 61.29,895 14.96,897 155.653,898 355.567,899 125.598,900 36.072,901 27.881,902 65.905,903 94.986,904 98.51,905 30.958,906 282.506,908 294.278,909 266.291,910 76.25,913 285.695,914 84.832,917 87.427,918 145.293,919 33.571,921 309.238,922 171.927,923 155.653,926 294.278,927 53.676,928 108.226,929 70.818,930 109.821,931 294.278,932 186.887,933 155.653,935 0.585,936 0.351,937 0.199,938 0.102,939 30,940 15,941 0.111,942 8,943 2,944 1.167,945 4.658,946 403.715,947 0.167,948 24,949 204.131,954 26.875,955 11.182,956 5.409,957 1.171,958 170.102,959 11.604,960 9.204,961 3.069,964 3.038,966 70.818,967 636.818,968 56,973 25.216,977 -0.558,980 69.029,981 77.522,983 0.28,984 0.677,985 0.858,986 0.92,987 0.92,988 0.92,989 5.306,990 2.007,991 6.232,992 6.606,993 4.828,994 5.364,995 2.606,996 7.091,997 4.736,998 6.531,999 1.941,1000 7.822,1001 5.386,1002 4.511,1003 5.293,1004 1.738,1005 8.074,1006 4.382,1007 7.859,1008 1.789,1009 9.509,1010 5.308,1011 6.469,1012 7.606,1013 3.265,1014 11.197,1015 6.299,1016 9.222,1017 1.64,1018 11.254,1019 5.177,1020 6.957,1021 8.35,1022 3.224,1023 12.997,1024 6.756,1025 10.617,1026 1.232,1027 13.034,1028 4.559,1029 8.401,1030 10.163,1031 4.35,1032 15.638,1033 8.162,1034 12.034,1035 1.153,1036 14.841,1037 2.912,1038 9.251,1039 11.283,1040 4.689,1041 17.773,1042 8.982,1043 13.468,1044 1.087,1045 16.666,1046 2.741,1047 10.502,1048 12.9,1049 5.607,1050 20.245,1051 10.199,1052 3.204,1053 1,1054 18.505,1055 2.719,1056 11.516,1057 14.202,1058 6.118,1059 22.52,1060 11.181,1061 3.156,1062 10.944,1063 20.355,1064 2.461,1065 12.695,1066 15.735,1067 6.929,1068 24.929,1069 12.327,1070 3.037,1071 10.873,1072 22.213,1073 4.503,1074 13.78,1075 17.125,1076 7.524,1077 27.262,1078 13.38,1079 2.762,1080 10.317,1081 24.078,1082 4.128,1083 14.934,1084 18.624,1085 8.278,1086 29.65,1087 14.5,1088 2.387,1089 9.034,1090 25.949,1091 4.109,1092 16.051,1093 20.058,1094 8.915,1095 32.007,1096 15.585,1097 2.208,1098 7.253,1099 27.825,1100 3.354,1101 17.197,1102 21.543,1103 9.639,1104 34.388,1105 16.697,1106 2.189,1107 6.66,1108 29.704,1109 3.043,1110 18.33,1111 22.999,1112 10.3,1113 36.757,1114 17.796,1115 21947,1116 37481,1117 28.263,1118 44.722,1119 65.002,1120 67.743,1121 68.376,1122 64.527,1123 64.522,1124 83.503,1125 12.168,1126 192.409,1127 61.417,1128 5.497,1129 5.793,1130 6.271,1131 5.247,1132 5.204,1133 7.503,1134 3.465,1135 18.074,1136 5.084,1137 23.092,1138 1.512,1139 1.575,1140 1.59,1141 1.501,1142 1.501,1143 1.942,1144 0.283,1145 4.475,1146 1.428,1147 4.121,1148 4.166,1149 4.091,1150 3.984,1151 8.201,1152 4.004,1153 4.007,1154 4.04,1155 3.963,1156 3.904,1157 7.43,1158 3.915,1159 3.925,1160 3.952,1161 3.892,1162 3.83,1163 7.426,1164 3.84,1165 3.68,1166 3.746,1167 3.589,1168 3.456,1169 5.128,1170 3.48,1171 3.501,1172 3.572,1173 3.391,1174 3.293,1175 4.847,1176 3.304,1177 3.464,1178 3.542,1179 3.353,1180 3.201,1181 4.637,1182 3.227,1183 3.347,1184 3.416,1185 3.264,1186 3.1,1187 4.488,1188 3.134,1189 3.187,1190 3.262,1191 3.067,1192 2.954,1193 4.417,1194 2.965,1195 0.106,1196 0.088,1197 0.156,1198 0.097,1199 0.075,1200 4.574,1201 0.105,1202 3.793,1203 0.046,1204 6.729,1205 0.255,1206 4.167,1207 0.072,1208 3.204,1209 4.503,1210 1.989,1211 10.944,1212 3.084,1213 1.927,1214 1.901,1215 1.995,1216 2.069,1217 1.186,1218 2.042,1219 1.889,1220 1.87,1221 1.967,1222 1.999,1223 1.098,1224 1.987,1225 1.764,1226 1.732,1227 1.863,1228 1.919,1229 1.053,1230 1.896,1231 1.637,1232 1.571,1233 1.812,1234 1.881,1235 0.943,1236 1.875,1237 1.468,1238 1.399,1239 1.717,1240 1.7,1241 0.912,1242 1.704,1243 1.449,1244 1.368,1245 1.68,1246 1.69,1247 0.68,1248 1.691,1249 1.385,1250 1.307,1251 1.636,1252 1.675,1253 0.605,1254 1.677,1255 1.225,1256 1.164,1257 1.57,1258 1.525,1259 0.586,1260 1.539,1261 4.466,1263 5.814,1264 3.045,1265 7.351,1266 5.352,1267 8.981,1268 7.424,1269 10.664,1271 6.728,1273 14.565,1277 1.619,1278 8.771,1279 5.63,1282 3.608,1289 43.494,1290 115.929,1291 280.218,1292 355.153,1293 380.928,1294 380.928,1295 380.928,1296 86.299,1297 8.841,1298 127.51,1299 127.51,1300 28,1301 13.065,1302 4.644,1303 3.807,1304 61.241,1305 185,1306 188,1307 0.16,1308 265.209,1309 459.02,1310 638.87,1311 99485,1312 1.5,1313 27.681,1314 0.71,1315 0.565,1316 26.811,1317 22.054,1318 18.782,1319 0.437,1320 0.287,1321 12.077,1322 17.78,1323 11.718,1324 9.768,1325 18.372,1326 12.345,1327 17.227,1328 0.278,1329 0.151,1330 16.689,1331 9.342,1332 14.546,1333 0.171,1334 0.076,1335 14.152,1336 6.432,1337 12.892,1338 0.11,1339 0.039,1340 12.348,1341 4.621,1342 9.732,1343 0.068,1344 0.021,1345 9.538,1346 2.958,1347 0.25,1348 119.794,1349 0.188,1350 34.742,1351 0.441,1352 210,1353 705.23,1354 236.902,1355 650.689,1356 883.83,1357 608,1358 252,1359 650.602,1360 279.76,1361 653.549,1362 962.02,1363 611,1364 5}
{0 CHEMBL468970,1 1.723,2 12.222,3 4.344,4 18.869,5 137.532,6 8.112,7 0.439,8 4.288,9 4.397,10 3.937,11 3.752,12 5.341,13 3.771,14 4.864,15 5.024,16 4.309,17 4.149,18 5.915,19 4.15,20 5.058,21 5.26,22 4.348,23 4.305,24 6.022,25 4.255,26 5.062,27 5.269,28 4.319,29 4.335,30 6.01,31 4.248,32 5.123,33 5.359,34 4.364,35 4.328,36 6.064,37 4.254,38 5.09,39 5.306,40 4.338,41 4.299,42 6.053,43 4.244,44 5.104,45 5.321,46 4.322,47 4.288,48 6.074,49 4.227,50 5.178,51 5.431,52 4.186,53 4.272,54 6.044,55 4.181,56 0.127,57 0.966,58 11.952,59 5.35,60 7.358,61 6.669,62 0.723,63 1.537,64 26.57,65 8.927,66 38.201,67 11.077,68 0.828,69 1.809,70 35.867,71 11.005,72 42.185,73 14.954,74 0.638,75 1.827,76 36.577,77 13.185,78 39.584,79 17.84,80 0.72,81 1.886,82 40.185,83 12.622,84 50.04,85 18.044,86 0.752,87 1.874,88 38.665,89 11.663,90 43.21,91 16.075,92 0.886,93 1.9,94 37.191,95 11.057,96 49.944,97 15.978,98 0.858,99 1.919,100 42.756,101 12.945,102 54.6,103 18.633,104 2,105 57,106 0.275,107 0.578,108 0.71,109 0.754,110 0.761,111 0.761,112 3.616,113 0.905,114 -3.17,115 -3.16,116 -3.04,118 39.7,124 8,125 1,138 6,140 7,141 1,143 1,146 1,167 1,170 2,171 7,173 3,175 3,178 4,181 2,182 2,184 1,186 2,188 1,191 1,192 8,195 4,196 1,197 3,203 1,204 8,211 2,214 5,215 4,220 2,223 3,227 3,228 4,231 3,233 2,239 1,240 3,243 3,245 2,247 1,251 4,252 2,260 4,264 2424,265 25.101,266 25.101,267 25.101,268 25.101,269 25.101,270 22.926,271 44.649,272 15.051,273 26.133,274 20.341,275 20.341,276 20.341,277 20.341,278 20.341,279 16.934,280 78.465,281 7.243,282 22.045,283 4.254,284 2.353,285 1.528,286 1.25,287 1.206,288 1.206,289 4.338,290 1,294 1,295 991,296 2.739,299 82.634,300 558.773,303 152.628,307 1.821,308 32.818,311 0.75,312 0.5,313 0.83,314 0.9,315 0.5,316 0.83,317 1,318 0.76,319 79.333,320 440,321 4.489,322 3.486,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.322,331 3.243,332 6.311,333 3.979,334 3.026,335 3.926,336 0.86,337 9.702,338 2.887,339 4.06,340 3.013,341 6.016,342 3.622,343 2.701,344 3.652,345 0.86,346 8.629,347 2.486,348 3.795,349 2.944,350 5.714,351 3.608,352 2.684,353 2.972,354 0.8,355 8,356 2.478,357 3.644,358 2.831,359 5.588,360 3.315,361 2.389,362 2.953,363 0.8,364 7.331,365 2.213,366 3.541,367 2.543,368 5.28,369 3.171,370 2.256,371 2.802,372 0.532,373 6.687,374 2.024,375 3.257,376 2.331,377 4.872,378 2.887,379 1.969,380 2.483,381 0.4,382 5.578,383 1.789,384 3.046,385 2.25,386 4.616,387 2.67,388 1.741,389 2.24,390 0.4,391 4.656,392 1.6,393 2.939,394 2.114,395 4.457,396 2.604,397 1.697,398 2.006,400 4.474,401 1.537,402 2.838,403 1.961,404 4.283,405 2.585,406 1.645,407 1.879,409 4.065,410 1.535,411 2.664,412 1.807,413 3.622,414 2.147,415 1.211,416 1.739,417 2.724,418 1.126,419 2.238,420 1.529,421 3.512,422 2.097,423 1.137,424 1.225,425 2.658,426 1.075,427 2.236,428 1.288,429 3.483,430 2.021,431 1.124,432 1.218,433 2.513,434 0.995,435 2.166,436 1.284,437 3.472,438 1.952,439 1,440 1.132,441 2.509,442 0.946,443 2,444 1.256,445 3.417,446 1.952,447 1,448 1,449 2.136,450 0.946,451 16.948,452 0.471,453 0.705,454 0.02,455 47.25,456 1.313,457 21,458 0.583,459 26.25,460 0.729,461 32.193,462 0.894,463 39.452,464 0.626,465 37.029,466 1.029,467 9.378,468 0.26,469 8.348,470 0.232,471 0.042,473 0.313,478 0.916,479 1.577,480 0.634,481 1.169,482 0.778,483 0.96,484 1.313,485 1.063,486 0.833,487 0.839,488 1.007,489 0.844,490 1.033,491 1.02,492 0.963,493 0.879,494 0.95,495 0.932,496 0.575,497 1.134,498 0.937,499 1.181,500 0.687,501 1.144,502 0.658,503 1.076,504 0.752,505 0.931,506 0.672,507 0.904,508 0.931,509 1.081,510 1.004,511 0.982,512 0.912,513 0.97,514 0.747,515 1.148,516 0.915,517 1.048,518 0.791,519 1.073,520 0.833,521 1,522 0.833,523 0.936,524 0.956,525 0.973,526 6,527 0.155,528 3.111,529 1.938,530 1.622,531 1.139,532 0.679,533 0.344,534 0.254,535 0.172,536 21322,537 58571,538 2.221,539 42.9,541 22,542 2,543 1,544 2,549 1.777,550 2.16,551 3.578,552 0.231,558 108.58,559 1.723,560 3.625,561 4.449,562 4.727,563 4.771,564 4.771,565 2.896,566 4.093,567 5.146,568 3.798,569 2392.93,570 9.058,571 38532,576 376.569,577 1.056,578 5.134,579 0.146,580 0.004,581 0.055,582 0.034,583 0.03,584 0.02,585 0.012,586 0.006,587 0.005,588 0.004,589 0.317,590 0.33,591 0.63,592 0.287,593 196.133,594 -0.079,595 -0.348,596 0.054,597 -0.161,598 -0.034,599 -0.035,600 -0.127,601 0.053,602 -0.017,603 0.102,604 -0.005,605 0.051,606 -0.101,607 0.06,608 -0.056,609 0.076,610 -0.064,611 0.012,612 0.126,613 -0.097,614 -0.007,615 -0.157,616 0.099,617 -0.128,618 0.069,619 -0.059,620 0.161,621 0.044,622 0.141,623 0.099,624 -0.061,625 -0.016,626 -0.047,627 -0.027,628 -0.023,629 -0.013,630 0.082,631 -0.058,632 -0.06,633 -0.124,634 0.062,635 -0.132,636 -0.01,637 -0.015,638 0.02,639 -0.004,640 -0.038,641 0.013,642 1.341,643 2.315,644 0.917,645 38.481,646 1.015,647 1.132,648 1.942,649 3.771,650 0.668,651 3.738,652 4.06,653 4.357,654 4.654,655 4.898,656 4.97,657 5.142,658 5.293,659 5.389,660 5.489,661 7.741,662 0.645,663 511.03,664 3.738,665 5.283,666 6.142,667 7.022,668 7.895,669 8.78,670 9.658,671 10.546,672 11.427,673 12.316,674 9.5,680 2,682 2,684 2,690 7,691 2,695 9,697 18,709 2,711 2,714 2,715 1,716 63,718 18,719 2,720 41,722 68,723 25,724 16,725 7,726 5,728 6,729 7,730 1,740 16,741 9,760 27,761 10,762 2,763 11,764 1,769 6,775 0.833,776 4,788 1,793 1,794 5,797 1,818 2,819 5,824 1,827 36,833 9,834 2,835 4,838 2,849 1,850 6.3,854 2,855 2,858 16.667,859 11.193,860 7.806,861 3.745,863 3.592,864 1.418,865 1.013,866 7.204,867 12.191,868 3.932,869 4.494,870 5.042,871 5.605,872 6.133,873 6.361,874 6.712,875 7.105,876 7.424,877 7.771,878 0.875,879 57,880 13.298,881 5.689,882 7.6,883 25.735,884 21.339,885 2.1,886 75.611,890 294.278,891 128.589,892 75.841,893 39.149,894 44,897 128.589,898 377.426,899 75.841,901 33.443,902 56.857,903 67.342,904 98.332,905 27.769,906 258.964,907 39.149,908 294.278,909 204.43,910 44,911 39.149,913 294.278,914 22,915 22,917 80.411,918 90.448,919 72.72,921 294.278,922 119.841,923 167.738,926 294.278,927 62.684,928 72.154,929 36.022,930 116.719,931 294.278,932 119.841,933 167.738,935 0.577,936 0.339,937 0.193,938 0.107,939 29,940 11,941 0.088,942 6,943 1,944 1.061,945 4.737,946 360.07,947 0.061,948 33,949 162.117,954 23.878,955 10.861,956 5.455,958 119.841,959 13.523,960 9.096,964 6.581,966 36.022,967 581.856,968 50,980 63.963,981 71.339,983 0.288,984 0.606,985 0.744,986 0.791,987 0.798,988 0.798,989 5.185,990 1.741,991 6.107,992 5.578,993 4.745,994 5.182,995 2.394,996 6.905,997 4.594,998 6.352,999 1.697,1000 7.647,1001 4.656,1002 4.205,1003 4.902,1004 0.57,1005 7.735,1006 3.962,1007 7.643,1008 1.645,1009 9.287,1010 4.474,1011 6.319,1012 7.3,1013 2.474,1014 10.861,1015 6.035,1016 8.967,1017 1.211,1018 10.989,1019 4.065,1020 6.635,1021 7.855,1022 0.479,1023 12.548,1024 6.265,1025 10.327,1026 1.137,1027 12.73,1028 2.724,1029 8.17,1030 9.724,1031 2.876,1032 15.162,1033 7.761,1034 11.709,1035 1.124,1036 14.499,1037 2.658,1038 8.895,1039 10.672,1040 0.346,1041 17.21,1042 8.408,1043 13.11,1044 1,1045 16.288,1046 2.513,1047 10.184,1048 12.311,1049 3.423,1050 19.646,1051 9.653,1052 3.145,1053 1,1054 18.092,1055 2.509,1056 11.111,1057 13.465,1058 0.237,1059 21.857,1060 10.509,1061 3.026,1062 10.781,1063 19.908,1064 2.136,1065 12.294,1066 14.991,1067 4.035,1068 24.231,1069 11.643,1070 2.701,1071 9.702,1072 21.734,1073 4.173,1074 13.32,1075 16.257,1076 0.158,1077 26.518,1078 12.603,1079 2.684,1080 8.629,1081 23.567,1082 3.926,1083 14.461,1084 17.724,1085 4.675,1086 28.874,1087 13.69,1088 2.389,1089 8,1090 25.407,1091 3.652,1092 15.535,1093 19.052,1094 0.104,1095 31.197,1096 14.7,1097 2.256,1098 7.331,1099 27.253,1100 2.972,1101 16.661,1102 20.491,1103 5.326,1104 33.55,1105 15.77,1106 1.969,1107 6.687,1108 29.104,1109 2.953,1110 17.759,1111 21.854,1112 0.068,1113 35.892,1114 16.806,1115 19287,1116 32237,1117 28.72,1118 42.085,1119 61.338,1120 63.122,1121 61.75,1122 61.43,1123 61.317,1124 74.9,1125 12.086,1126 174.023,1127 56.518,1128 5.489,1129 5.486,1130 6.486,1131 5.186,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 8.155,1138 1.496,1139 1.54,1140 1.506,1141 1.498,1142 1.496,1143 1.827,1144 0.295,1145 4.244,1146 1.378,1147 4.029,1148 4.069,1149 4.059,1150 3.908,1151 5.089,1152 3.92,1153 3.954,1154 3.973,1155 3.945,1156 3.852,1157 4.984,1158 3.861,1159 3.793,1160 3.841,1161 3.76,1162 3.617,1163 4.759,1164 3.643,1165 3.746,1166 3.804,1167 3.627,1168 3.522,1169 4.709,1170 3.538,1171 3.619,1172 3.662,1173 3.505,1174 3.436,1175 4.613,1176 3.445,1177 3.306,1178 3.326,1179 3.494,1180 3.051,1181 4.551,1182 3.082,1183 3.118,1184 3.206,1185 3.041,1186 2.941,1187 4.138,1188 2.928,1189 3.111,1190 3.206,1191 2.924,1192 2.941,1193 4.041,1194 2.91,1195 0.109,1196 0.085,1197 0.163,1198 0.1,1199 0.077,1200 4.489,1201 0.102,1202 3.486,1203 0.034,1204 6.684,1205 0.263,1206 4.083,1207 0.071,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.94,1214 1.906,1215 2.044,1216 2.087,1217 1.27,1218 2.076,1219 1.863,1220 1.846,1221 1.917,1222 1.995,1223 1.19,1224 1.976,1225 1.706,1226 1.659,1227 1.905,1228 1.933,1229 1.057,1230 1.927,1231 1.683,1232 1.624,1233 1.821,1234 1.875,1235 0.992,1236 1.863,1237 1.572,1238 1.523,1239 1.759,1240 1.763,1241 0.825,1242 1.766,1243 1.166,1244 1.133,1245 1.513,1246 1.521,1247 0.825,1248 1.486,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.775,1254 1.429,1255 1.153,1256 1.064,1257 1.435,1258 1.376,1259 0.578,1260 1.429,1261 4.419,1263 5.74,1264 2.398,1265 7.259,1266 4.595,1267 8.867,1268 6.605,1269 10.521,1272 6.426,1277 6.483,1278 6.642,1279 22.171,1282 4.69,1289 40.61,1290 108.58,1291 228.349,1292 280.304,1293 297.814,1294 300.569,1295 300.569,1296 46.181,1297 8.599,1298 93.24,1299 93.24,1300 35,1301 12.848,1302 4.248,1303 3.322,1304 48.905,1305 169,1306 138,1307 0.138,1308 244.956,1309 426.81,1310 589.452,1311 76958,1312 1.6,1313 24.321,1314 0.676,1315 0.568,1316 24.821,1317 20.461,1318 17.725,1319 0.432,1320 0.302,1321 11.748,1322 16.441,1323 11.573,1324 9.411,1325 18.014,1326 12.363,1327 15.833,1328 0.278,1329 0.158,1330 16.204,1331 9.016,1332 13.666,1333 0.177,1334 0.086,1335 14.024,1336 6.623,1337 11.902,1338 0.114,1339 0.045,1340 12.177,1341 4.682,1342 9.85,1343 0.074,1344 0.024,1345 10.18,1346 3.216,1347 0.217,1348 116.173,1349 0.187,1350 32.888,1351 0.375,1352 196,1353 612.392,1354 237.516,1355 598.558,1356 819.55,1357 568,1358 232,1359 583.467,1360 271.034,1361 591.424,1362 877.18,1363 557,1364 7.812}
{0 CHEMBL473351,1 1.699,2 12.452,3 5.186,4 26.896,5 119.975,6 8.786,7 0.771,8 4.034,9 4.12,10 3.782,11 3.639,12 5.245,13 3.627,14 4.504,15 4.626,16 4.175,17 4.016,18 5.675,19 3.993,20 4.65,21 4.779,22 4.25,23 4.124,24 5.832,25 4.086,26 4.743,27 4.899,28 4.215,29 4.116,30 5.925,31 4.053,32 4.755,33 4.94,34 4.023,35 4.048,36 5.85,37 3.982,38 4.653,39 4.832,40 3.975,41 3.992,42 5.795,43 3.931,44 4.694,45 4.905,46 3.848,47 3.919,48 5.8,49 3.843,50 4.554,51 4.775,52 3.704,53 3.725,54 5.636,55 3.637,56 0.09,57 0.702,58 7.673,59 4.294,60 9.992,61 4.465,62 0.309,63 1.139,64 15.952,65 7.119,66 23.107,67 7.357,68 0.341,69 1.316,70 18.438,71 8.391,72 25.228,73 8.782,74 0.467,75 1.455,76 24.434,77 9.704,78 38.026,79 10.222,80 0.584,81 1.406,82 27.297,83 9.923,84 44.773,85 10.746,86 0.387,87 1.266,88 19.042,89 8.393,90 32.469,91 10.403,92 0.396,93 1.319,94 23.406,95 8.921,96 42.055,97 10.407,98 0.444,99 1.123,100 21.843,101 8.023,102 46.771,103 9.533,104 14,105 50,106 0.281,107 0.615,108 0.752,109 0.855,110 0.868,111 0.875,112 3.472,113 0.883,114 -4.13,115 -4.07,116 -3.85,118 46.9,123 2,138 9,139 2,140 4,142 2,143 1,144 1,148 1,156 1,167 6,170 1,171 8,173 1,175 5,178 8,181 1,182 8,186 3,188 6,191 1,192 7,195 2,196 1,197 4,199 7,203 2,204 1,206 1,211 7,214 1,215 3,218 3,220 4,223 10,228 3,233 3,235 6,239 1,240 6,243 1,245 3,247 2,252 3,255 1,257 2,260 1,264 1532,265 21.497,266 21.497,267 21.497,268 21.497,269 21.497,270 18.387,271 18.876,272 12.469,273 22.282,274 17.184,275 17.184,276 17.184,277 17.184,278 17.184,279 12.374,280 28.308,281 5.761,282 18.327,283 3.915,284 1.893,285 1.062,286 0.439,287 0.357,288 0.317,289 4.184,293 1,294 1,295 859,296 2.915,299 66.597,300 342.183,303 130.909,304 138.202,307 1.921,308 27.013,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 67,320 386,321 4.577,322 3.288,323 6.586,324 4.103,325 3.143,326 4.513,327 0.86,328 10.531,329 3.025,330 4.538,331 3.167,332 6.532,333 4.044,334 3.107,335 4.452,336 0.86,337 10.313,338 2.913,339 4.223,340 2.954,341 6.112,342 3.749,343 2.793,344 3.919,345 0.4,346 8.917,347 2.655,348 3.992,349 2.818,350 6.041,351 3.581,352 2.646,353 3.495,355 8.649,356 2.464,357 3.669,358 2.433,359 5.454,360 3.266,361 2.31,362 3.069,364 7.164,365 2.201,366 3.394,367 2.224,368 5.113,369 2.907,370 1.965,371 2.777,373 5.986,374 1.847,375 3.154,376 2.005,377 4.809,378 2.681,379 1.753,380 2.42,382 5.022,383 1.615,384 3.032,385 1.847,386 4.477,387 2.5,388 1.579,389 2.298,391 4.321,392 1.45,393 2.996,394 1.532,395 4.414,396 2.462,397 1.532,398 2.217,400 4.312,401 1.415,402 2.873,403 1.47,404 3.949,405 2.393,406 1.414,407 2.036,409 3.252,410 1.369,411 2.699,412 1.451,413 3.886,414 2.241,415 1.348,416 1.763,417 3.079,418 1.198,419 2.599,420 1.148,421 3.59,422 2.074,423 1.122,424 1.645,425 2.781,426 1.055,427 1.893,428 1,429 3.235,430 1.553,431 0.654,432 0.786,433 1.391,434 0.583,435 1.847,436 0.918,437 3,438 1.241,439 0.375,440 0.521,441 0.86,442 0.315,443 1.522,444 0.347,445 2.902,446 1.223,447 0.347,448 0.411,449 0.517,450 0.304,451 14.933,452 0.482,453 0.687,454 0.022,455 46.75,456 1.508,457 26,458 0.839,459 20.75,460 0.669,461 22.411,462 0.723,463 31.267,464 0.638,465 34.971,466 1.128,467 9.266,468 0.299,469 5.891,470 0.19,471 0.089,473 0.368,478 0.942,479 1.125,480 0.689,481 0.877,482 0.952,483 0.793,484 1.146,485 0.917,486 0.779,487 0.768,488 0.834,489 0.707,490 0.991,491 1.178,492 0.938,493 0.995,494 0.941,495 0.935,496 0.963,497 1.154,498 1.186,499 1.199,500 0.972,501 1.104,502 1.201,503 0.904,504 1.189,505 0.974,506 1.196,507 0.969,508 0.693,509 1.038,510 0.773,511 0.99,512 0.774,513 1.094,514 1.141,515 0.997,516 0.978,517 0.95,518 1.36,519 1.048,520 1.149,521 0.897,522 0.9,523 0.887,524 1.425,525 0.988,526 6,527 0.176,528 3.556,529 2.292,530 2.138,531 1.181,532 0.57,533 0.554,534 0.279,535 0.2,536 14098,537 40752,538 2.16,539 36.7,541 15,543 1,544 2,549 1.734,550 2.044,551 3.599,552 0.225,558 83.265,559 1.699,560 3.721,561 4.553,562 5.176,563 5.257,564 5.298,565 3.087,566 4.478,567 4.927,568 3.768,569 1752.31,570 8.591,571 24956.1,576 275.121,577 1.332,578 4.896,579 0.171,580 0.007,581 0.071,582 0.043,583 0.045,584 0.027,585 0.014,586 0.016,587 0.01,588 0.007,589 0.412,590 0.33,591 0.88,592 0.741,593 161.65,594 -0.1,595 -0.099,596 0.048,597 0.015,598 -0.153,599 0.03,600 -0.111,601 0.115,602 0.111,603 0.182,604 -0.044,605 0.163,606 -0.032,607 -0.138,608 -0.023,609 -0.035,610 -0.03,611 -0.055,612 0.037,613 -0.099,614 -0.127,615 -0.176,616 0.038,617 -0.181,618 -0.087,619 0.098,620 -0.171,621 0.013,622 -0.123,623 -0.003,624 0.147,625 -0.086,626 -0.013,627 -0.134,628 0.135,629 -0.14,630 -0.158,631 -0.019,632 -0.086,633 -0.05,634 -0.126,635 -0.062,636 -0.043,637 0.046,638 0.063,639 0.051,640 -0.057,641 0.035,642 1.526,643 4.669,644 0.806,645 30.524,646 1.013,647 1.111,648 2.899,649 8.407,650 0.722,651 3.584,652 3.932,653 4.263,654 4.564,655 4.82,656 4.942,657 5.069,658 5.204,659 5.303,660 5.371,661 7.3,662 0.696,663 430.52,664 3.584,665 5.142,666 6.019,667 6.915,668 7.806,669 8.707,670 9.602,671 10.504,672 11.401,673 12.303,674 8.2,682 1,684 3,689 4,690 10,691 3,694 1,695 7,697 27,709 1,713 1,714 2,716 49,718 27,719 3,720 35,722 53,723 23,724 21,725 9,726 9,728 5,729 7,740 21,741 2,760 18,761 7,762 2,763 8,764 1,769 4,775 0.6,776 3,788 1,793 1,794 4,797 1,798 1,819 3,821 1,823 2,827 31,832 1,834 1,835 2,844 1,850 6.1,852 1,855 2,858 15.167,859 9.633,860 6.833,861 2.661,863 5.404,864 1.644,865 1.015,866 5.24,867 13.792,868 3.902,869 4.598,870 5.284,871 5.947,872 6.556,873 6.949,874 7.392,875 7.855,876 8.231,877 8.545,878 1,879 53,880 11.389,881 4.889,882 7.715,883 21.586,884 17.707,885 2.215,886 68.667,889 1,890 188.338,891 174.242,892 68.367,894 64.683,896 31.278,897 142.965,898 253.021,899 68.367,900 21.766,902 85.286,903 105.741,904 71.92,905 3.074,906 207.844,908 188.338,909 211.332,910 64.683,911 31.278,913 188.338,914 64.683,917 31.847,918 129.128,919 50.357,920 31.278,921 188.338,922 133.05,923 174.242,926 188.338,927 58.571,928 115.671,929 18.011,930 115.04,931 188.338,932 133.05,933 174.242,935 0.581,936 0.358,937 0.203,938 0.111,939 26,940 11,941 0.094,942 5,943 2,944 1.16,945 4.256,946 291.821,947 0.16,948 25,949 147.58,950 1,954 19.823,955 8.194,956 3.721,957 3.484,958 133.05,959 18.419,960 13.304,963 1.546,964 4.066,966 60.694,967 495.63,968 48.5,980 49.651,981 54.448,983 0.303,984 0.663,985 0.811,986 0.922,987 0.936,988 0.944,989 5.134,990 1.579,991 6.009,992 5.022,993 4.615,994 5.286,995 1.454,996 6.851,997 4.494,998 6.374,999 1.532,1000 7.584,1001 4.321,1002 4.205,1003 5.173,1005 7.781,1006 4.033,1007 7.705,1008 1.414,1009 9.257,1010 4.312,1011 6.24,1012 7.618,1013 1.175,1014 10.895,1015 6.021,1016 9.075,1017 1.348,1018 10.987,1019 3.252,1020 6.661,1021 8.343,1023 12.633,1024 6.38,1025 10.476,1026 1.122,1027 12.752,1028 3.079,1029 8.148,1030 10.239,1031 0.966,1032 15.247,1033 7.834,1034 11.9,1035 0.654,1036 14.542,1037 2.781,1038 8.949,1039 11.362,1041 17.318,1042 8.571,1043 13.34,1044 0.375,1045 16.348,1046 1.391,1047 10.216,1048 13.028,1049 0.788,1050 19.754,1051 9.806,1052 3.143,1053 0.347,1054 18.167,1055 0.86,1056 11.194,1057 14.343,1059 21.969,1060 10.722,1061 3.107,1062 10.531,1063 19.995,1064 0.517,1065 12.372,1066 15.909,1067 0.634,1068 24.339,1069 11.864,1070 2.793,1071 10.313,1072 21.831,1073 4.513,1074 13.43,1075 17.317,1077 26.618,1078 12.866,1079 2.646,1080 8.917,1081 23.672,1082 4.452,1083 14.574,1084 18.84,1085 0.504,1086 28.964,1087 13.97,1088 2.31,1089 8.649,1090 25.518,1091 3.919,1092 15.669,1093 20.293,1095 31.274,1096 15.013,1097 1.965,1098 7.164,1099 27.368,1100 3.495,1101 16.802,1102 21.798,1103 0.395,1104 33.613,1105 16.104,1106 1.753,1107 5.986,1108 29.222,1109 3.069,1110 17.915,1111 23.273,1113 35.937,1114 17.168,1115 13018,1116 22299,1117 23.868,1118 35.364,1119 52.496,1120 53.178,1121 54.485,1122 52.32,1123 52.417,1124 72.946,1125 4.24,1126 154.763,1127 49.044,1128 5.349,1129 5.288,1130 6.269,1131 5.212,1132 5.143,1133 7.513,1134 1.72,1135 17.51,1136 5.025,1137 12.891,1138 1.5,1139 1.519,1140 1.557,1141 1.495,1142 1.498,1143 2.084,1144 0.121,1145 4.422,1146 1.401,1147 4.105,1148 4.126,1149 4.331,1150 4.079,1151 6.469,1152 4.043,1153 4.039,1154 4.058,1155 4.044,1156 3.961,1157 5.105,1158 3.968,1159 3.848,1160 3.871,1161 3.807,1162 3.783,1163 4.97,1164 3.783,1165 3.508,1166 3.543,1167 3.468,1168 3.306,1169 4.777,1170 3.324,1171 3.301,1172 3.34,1173 3.418,1174 3.238,1175 4.603,1176 3.203,1177 3.251,1178 3.314,1179 3.087,1180 2.973,1181 4.497,1182 2.985,1183 3.091,1184 3.176,1185 2.973,1186 2.855,1187 4.274,1188 2.853,1189 3.03,1190 3.096,1191 2.882,1192 2.825,1193 4.083,1194 2.824,1195 0.131,1196 0.094,1197 0.188,1198 0.117,1199 0.09,1200 4.577,1201 0.129,1202 3.288,1203 0.025,1204 6.586,1205 0.301,1206 4.103,1207 0.086,1208 3.143,1209 4.513,1210 0.86,1211 10.531,1212 3.025,1213 2.006,1214 1.985,1215 2.056,1216 2.126,1217 1.184,1218 2.106,1219 1.899,1220 1.883,1221 1.983,1222 1.978,1223 1.108,1224 1.981,1225 1.881,1226 1.864,1227 1.949,1228 1.951,1229 1.074,1230 1.964,1231 1.402,1232 1.366,1233 1.608,1234 1.666,1235 0.602,1236 1.641,1237 1.25,1238 1.234,1239 1.576,1240 1.525,1241 0.575,1242 1.54,1243 1.193,1244 1.12,1245 1.365,1246 1.389,1247 0.478,1248 1.401,1249 1.07,1250 0.981,1251 1.258,1252 1.312,1253 0.343,1254 1.33,1255 0.966,1256 0.907,1257 1.169,1258 1.188,1259 0.209,1260 1.18,1261 4.263,1263 5.602,1264 2.398,1265 7.148,1266 4.727,1267 8.786,1268 6.843,1269 10.471,1271 3.166,1276 10.669,1278 3.257,1279 10.756,1289 34.105,1290 83.265,1291 182.353,1292 223.082,1293 253.611,1294 257.611,1295 259.611,1296 43.342,1297 8.387,1298 89.39,1299 117.63,1300 29,1301 12.824,1302 4.807,1303 3.858,1304 43.813,1305 138,1306 120,1307 0.156,1308 209.595,1309 347.36,1310 503.173,1311 57790,1313 21.372,1314 0.689,1315 0.568,1316 21.725,1317 17.604,1318 15.157,1319 0.433,1320 0.294,1321 9.397,1322 14.086,1323 9.073,1324 7.539,1325 15.565,1326 10.304,1327 13.515,1328 0.27,1329 0.156,1330 14.157,1331 7.821,1332 12.12,1333 0.173,1334 0.086,1335 12.926,1336 5.995,1337 10.551,1338 0.111,1339 0.046,1340 11.497,1341 4.397,1342 8.66,1343 0.07,1344 0.024,1345 9.44,1346 3.008,1347 0.247,1348 99.554,1349 0.205,1350 29.204,1351 0.419,1352 170,1353 519.749,1354 211.7,1355 521.979,1356 727.43,1357 492,1358 205,1359 530.864,1360 244.906,1361 557.107,1362 819.63,1363 522,1364 5}
{0 CHEMBL473354,1 1.596,2 11.786,3 6.637,4 44.048,5 115.2,6 9.37,7 0.844,8 3.891,9 3.985,10 3.711,11 3.614,12 5.046,13 3.567,14 4.363,15 4.487,16 4.136,17 4.012,18 5.5,19 3.948,20 4.56,21 4.713,22 4.189,23 4.111,24 5.66,25 4.017,26 4.605,27 4.793,28 4.029,29 4.034,30 5.66,31 3.909,32 4.444,33 4.643,34 3.849,35 3.888,36 5.457,37 3.788,38 4.372,39 4.55,40 3.802,41 3.829,42 5.473,43 3.742,44 4.385,45 4.596,46 3.576,47 3.782,48 5.333,49 3.639,50 4.254,51 4.493,52 3.543,53 3.595,54 5.177,55 3.445,56 0.016,57 0.581,58 5.412,59 3.203,60 5.161,61 3.77,62 0.101,63 0.984,64 11.21,65 5.636,66 11.594,67 6.667,68 0.101,69 1.181,70 17.476,71 7.603,72 17.357,73 8.674,74 0.288,75 1.278,76 27.915,77 9.171,78 30.703,79 9.803,80 0.144,81 1.081,82 19.173,83 7.538,84 17.898,85 8.673,86 0.254,87 0.986,88 14.201,89 5.591,90 23.961,91 6.606,92 0.099,93 0.952,94 17.203,95 7.316,96 18.594,97 9.342,98 0.126,99 0.865,100 16.582,101 6.762,102 18.723,103 8.822,104 5,105 46,106 0.27,107 0.592,108 0.744,109 0.859,110 0.867,111 0.867,112 3.375,113 0.938,114 -6.45,115 -6.28,116 -5.83,118 51.2,119 1,138 10,139 3,140 2,142 2,143 1,144 1,148 1,156 1,167 10,170 1,171 6,173 1,175 3,178 14,182 6,186 3,188 12,192 9,195 1,197 3,199 8,204 4,208 1,211 10,215 4,218 1,220 2,223 15,228 2,235 11,239 1,240 3,245 2,247 7,252 1,257 2,260 4,264 1150,265 19.256,266 19.256,267 19.256,268 19.256,269 19.256,270 16.094,271 12.168,272 11.216,273 19.774,274 15.825,275 15.825,276 15.825,277 15.825,278 15.825,279 11.125,280 18.845,281 5.365,282 16.779,283 3.83,284 1.925,285 1.023,286 0.343,287 0.297,288 0.297,289 4.09,290 1,294 1,295 746,296 2.449,299 58.911,300 301.377,303 115.83,304 121.854,307 1.832,308 15.745,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 58.333,320 330,321 4.564,322 3.275,323 6.564,324 4.081,325 3.116,326 4.506,327 0.4,328 10.43,329 3.004,330 4.508,331 3.064,332 6.372,333 3.98,334 3.058,335 4.437,337 9.883,338 2.824,339 4.081,340 2.942,341 5.909,342 3.644,343 2.678,344 3.709,346 8.267,347 2.586,348 3.922,349 2.653,350 5.828,351 3.486,352 2.546,353 3.432,355 7.87,356 2.359,357 3.659,358 2.399,359 5.411,360 3.248,361 2.293,362 3.061,364 6.982,365 2.177,366 3.374,367 2.008,368 5.038,369 2.883,370 1.927,371 2.758,373 5.804,374 1.838,375 3.032,376 1.823,377 4.414,378 2.511,379 1.553,380 2.298,382 4.312,383 1.489,384 3.026,385 1.532,386 4.367,387 2.456,388 1.532,389 2.274,391 4.145,392 1.394,393 2.971,394 1.53,395 4.258,396 2.426,397 1.496,398 2.193,400 3.826,401 1.365,402 2.666,403 1.38,404 3.695,405 2.151,406 1.226,407 1.741,409 2.852,410 1.112,411 2.571,412 1.187,413 3.591,414 2.061,415 1.139,416 1.6,417 2.791,418 1.017,419 2.5,420 1,421 3.414,422 2,423 1,424 1.5,425 2.275,426 1,427 1.847,428 0.652,429 3.064,430 1.245,431 0.347,432 0.521,433 0.86,434 0.305,435 1.59,436 0.347,437 3,438 1.224,439 0.316,440 0.385,441 0.812,442 0.272,443 1.275,444 0.167,445 2.685,446 0.838,447 -0.067,448 -0.086,449 -0.163,450 -0.055,451 14.148,452 0.505,453 0.674,454 0.024,455 42.75,456 1.527,457 24.5,458 0.875,459 18.25,460 0.652,461 20.296,462 0.725,463 26.652,464 0.62,465 28.319,466 1.011,467 8.154,468 0.291,469 5.515,470 0.197,471 0.086,473 0.353,478 0.744,479 1.029,480 0.585,481 0.738,482 0.76,483 0.719,484 0.694,485 0.989,486 0.671,487 0.82,488 0.679,489 0.789,490 1.082,491 1.176,492 0.959,493 1.002,494 0.918,495 0.988,496 1.376,497 1.049,498 1.432,499 1.223,500 1.293,501 1.115,502 1.01,503 1.011,504 0.899,505 0.953,506 0.855,507 0.924,508 0.999,509 0.876,510 0.884,511 0.937,512 1.099,513 1.087,514 0.71,515 1.049,516 0.872,517 1.08,518 0.925,519 1.185,520 0.584,521 0.945,522 0.692,523 0.903,524 0.704,525 0.978,526 5.5,527 0.139,528 3.333,529 1.604,530 1.867,531 0.809,532 0.395,533 0.404,534 0.221,535 0.134,536 11347,537 32237,538 2.2,539 34.9,540 3,541 10,543 1,544 1,549 1.705,550 2.1,551 3.521,552 -0.358,558 68.619,559 1.596,560 3.501,561 4.404,562 5.083,563 5.13,564 5.13,565 2.942,566 4.28,567 4.782,568 3.695,569 1396.79,570 8.283,571 18677.4,576 233.329,577 1.264,578 4.757,579 0.172,580 0.007,581 0.072,582 0.035,583 0.049,584 0.023,585 0.012,586 0.016,587 0.01,588 0.006,589 0.402,590 0.33,591 0.75,592 0.444,593 141.796,594 -0.046,595 -0.06,596 0.031,597 0.033,598 -0.123,599 0.035,600 0.128,601 0.011,602 0.082,603 0.038,604 0.08,605 0.031,606 -0.107,607 -0.175,608 -0.042,609 -0.073,610 -0.013,611 -0.097,612 -0.152,613 0.002,614 -0.254,615 -0.159,616 -0.162,617 -0.14,618 -0.105,619 0.001,620 -0.029,621 0.019,622 0.037,623 0.057,624 0.022,625 0.131,626 -0.137,627 -0.13,628 -0.13,629 -0.203,630 -0.013,631 -0.154,632 -0.062,633 -0.132,634 -0.119,635 -0.141,636 0.216,637 -0.025,638 0.223,639 0.116,640 0.193,641 0.136,642 0.961,643 2.108,644 0.893,645 25.862,646 1.003,647 1.101,648 5.218,649 27.229,650 0.77,651 3.497,652 3.85,653 4.159,654 4.443,655 4.718,656 4.787,657 4.89,658 5.043,659 5.136,660 5.182,661 7.002,662 0.727,663 402.93,664 3.497,665 5.056,666 5.927,667 6.817,668 7.702,669 8.594,670 9.484,671 10.377,672 11.268,673 12.161,674 9.3,682 1,684 3,689 4,690 11,691 3,694 1,695 6,697 27,709 1,715 1,716 43,718 27,719 3,720 32,722 47,723 22,724 21,725 8,726 10,728 5,729 7,730 1,732 1,740 21,741 1,760 15,761 4,762 1,763 6,764 2,769 4,775 0.6,788 1,793 1,794 4,797 1,798 1,819 3,821 1,823 1,824 1,827 28,834 1,844 1,849 1,858 13.333,859 8.326,860 5.972,861 2.529,863 5.421,864 1.662,865 1.072,866 4.365,867 13.606,868 3.839,869 4.546,870 5.221,871 5.878,872 6.496,873 6.847,874 7.276,875 7.753,876 8.119,877 8.403,878 0.875,879 46,880 10.274,881 4.427,882 7.575,883 19.828,884 16.636,885 2.075,886 58.111,890 164.795,891 166.977,892 68.367,893 39.149,896 31.278,897 135.699,898 203.944,899 68.367,900 8.825,902 94.762,903 63.057,904 46.119,905 3.074,906 184.302,907 39.149,908 164.795,909 204.067,911 70.426,913 164.795,917 40.672,918 113.038,919 89.505,920 31.278,921 164.795,922 68.367,923 206.126,926 164.795,927 54.771,928 112.206,929 18.011,930 89.505,931 164.795,932 68.367,933 206.126,935 0.59,936 0.351,937 0.19,938 0.11,939 25,940 10,941 0.064,942 3,943 2,944 1.16,945 4.1,946 252.23,947 0.16,948 25,949 127.851,950 1,954 17.389,955 7.028,956 3.325,957 3.992,958 68.367,959 21.85,960 13.445,963 1.7,964 5.54,966 18.011,967 439.288,968 45.5,980 43.109,981 47.348,983 0.294,984 0.645,985 0.812,986 0.937,987 0.945,988 0.945,989 5.067,990 1.532,991 5.916,992 4.312,993 4.533,994 5.234,995 0.278,996 6.739,997 4.418,998 6.31,999 1.496,1000 7.48,1001 4.145,1002 4.111,1003 5.094,1005 7.618,1006 3.921,1007 7.637,1008 1.226,1009 9.141,1010 3.826,1011 6.142,1012 7.563,1013 0.05,1014 10.725,1015 5.93,1016 9.002,1017 1.139,1018 10.858,1019 2.852,1020 6.538,1021 8.261,1023 12.419,1024 6.242,1025 10.397,1026 1,1027 12.61,1028 2.791,1029 8.029,1030 10.176,1031 0.008,1032 15.024,1033 7.716,1034 11.814,1035 0.347,1036 14.385,1037 2.275,1038 8.805,1039 11.28,1041 17.063,1042 8.41,1043 13.248,1044 0.316,1045 16.178,1046 0.86,1047 10.073,1048 12.958,1049 0.001,1050 19.488,1051 9.655,1052 3.116,1053 -0.067,1054 17.983,1055 0.812,1056 11.029,1057 14.264,1059 21.68,1060 10.539,1061 3.058,1062 10.43,1063 19.798,1064 -0.163,1065 12.205,1066 15.836,1068 24.037,1069 11.683,1070 2.678,1071 9.883,1072 21.62,1073 4.506,1074 13.246,1075 17.241,1077 26.3,1078 12.661,1079 2.546,1080 8.267,1081 23.449,1082 4.437,1083 14.385,1084 18.767,1086 28.634,1087 13.762,1088 2.293,1089 7.87,1090 25.283,1091 3.709,1092 15.467,1093 20.219,1095 30.929,1096 14.788,1097 1.927,1098 6.982,1099 27.122,1100 3.432,1101 16.593,1102 21.726,1104 33.257,1105 15.872,1106 1.553,1107 5.804,1108 28.964,1109 3.061,1110 17.696,1111 23.201,1113 35.568,1114 16.923,1115 10311,1116 17534,1117 22.076,1118 33.097,1119 48.812,1120 49.066,1121 49.349,1122 48.546,1123 48.455,1124 68.83,1125 0.8,1126 142.218,1127 45.483,1128 5.334,1129 5.275,1130 6.246,1131 5.188,1132 5.116,1133 7.506,1134 0.8,1135 17.357,1136 5.004,1137 9.942,1138 1.525,1139 1.533,1140 1.542,1141 1.517,1142 1.514,1143 2.151,1144 0.025,1145 4.444,1146 1.421,1147 4.104,1148 4.129,1149 4.33,1150 4.081,1151 5.108,1152 4.045,1153 4.042,1154 4.061,1155 4.109,1156 3.986,1157 4.984,1158 3.982,1159 3.843,1160 3.872,1161 3.809,1162 3.788,1163 4.778,1164 3.782,1165 3.494,1166 3.548,1167 3.63,1168 3.352,1169 4.683,1170 3.358,1171 3.299,1172 3.338,1173 3.434,1174 3.259,1175 4.274,1176 3.207,1177 3.098,1178 3.162,1179 3.128,1180 2.963,1181 4.155,1182 2.955,1183 2.935,1184 3.025,1185 2.973,1186 2.796,1187 4.058,1188 2.77,1189 2.884,1190 2.939,1191 2.846,1192 2.736,1193 3.775,1194 2.736,1195 0.143,1196 0.102,1197 0.205,1198 0.128,1199 0.097,1200 4.564,1201 0.141,1202 3.275,1203 0.013,1204 6.564,1205 0.326,1206 4.081,1207 0.094,1208 3.116,1209 4.506,1210 0.4,1211 10.43,1212 3.004,1213 2.023,1214 1.999,1215 2.077,1216 2.123,1217 1.222,1218 2.113,1219 1.899,1220 1.884,1221 1.99,1222 1.977,1223 1.115,1224 1.984,1225 1.893,1226 1.868,1227 1.971,1228 1.95,1229 1.085,1230 1.971,1231 1.446,1232 1.395,1233 1.636,1234 1.633,1235 0.696,1236 1.641,1237 1.256,1238 1.239,1239 1.316,1240 1.383,1241 0.47,1242 1.392,1243 1.066,1244 1.011,1245 1.236,1246 1.249,1247 0.313,1248 1.274,1249 0.917,1250 0.885,1251 1.181,1252 1.146,1253 0.218,1254 1.155,1255 0.905,1256 0.824,1257 1.153,1258 1.062,1259 0.184,1260 1.107,1261 4.174,1263 5.517,1264 2.398,1265 7.059,1266 4.727,1267 8.688,1268 6.843,1269 10.36,1271 1.978,1272 6.219,1278 3.388,1289 31.261,1290 68.619,1291 150.547,1292 189.355,1293 218.574,1294 220.574,1295 220.574,1296 31.872,1297 8.185,1298 50.7,1299 78.94,1300 29,1301 12.688,1302 4.807,1303 3.858,1304 37.928,1305 120,1306 98,1307 0.155,1308 196.347,1309 318.9,1310 470.847,1311 46064,1312 2.3,1313 19.087,1314 0.682,1315 0.591,1316 19.941,1317 16.551,1318 13.67,1319 0.427,1320 0.313,1321 8.849,1322 12.68,1323 8.499,1324 7.041,1325 14.367,1326 10.006,1327 12.593,1328 0.274,1329 0.173,1330 13.607,1331 7.968,1332 11.122,1333 0.177,1334 0.097,1335 12.346,1336 6.097,1337 9.284,1338 0.111,1339 0.051,1340 10.402,1341 4.243,1342 8.006,1343 0.072,1344 0.027,1345 8.995,1346 3.03,1347 0.247,1348 91.002,1349 0.213,1350 26.969,1351 0.412,1352 156,1353 410.332,1354 205.359,1355 463.971,1356 646.28,1357 436,1358 187,1359 456.606,1360 230.532,1361 494.97,1362 729.33,1363 467,1364 5}
{0 CHEMBL473553,1 1.677,2 12.438,3 5.437,4 29.562,5 124.744,6 8.549,7 0.75,8 4.084,9 4.173,10 3.815,11 3.676,12 5.26,13 3.662,14 4.573,15 4.707,16 4.194,17 4.044,18 5.695,19 4.02,20 4.678,21 4.805,22 4.28,23 4.162,24 5.81,25 4.123,26 4.793,27 4.945,28 4.263,29 4.185,30 5.902,31 4.12,32 4.849,33 5.036,34 4.131,35 4.155,36 5.884,37 4.079,38 4.79,39 4.977,40 4.055,41 4.117,42 5.843,43 4.037,44 4.815,45 5.035,46 3.942,47 4.041,48 5.801,49 3.956,50 4.674,51 4.887,52 3.837,53 3.895,54 5.675,55 3.807,56 0.059,57 0.744,58 8.633,59 4.66,60 7.85,61 5.09,62 0.365,63 1.201,64 18.98,65 7.773,66 26.093,67 8.186,68 0.316,69 1.359,70 19.736,71 8.732,72 20.827,73 9.445,74 0.443,75 1.527,76 25.884,77 10.248,78 30.652,79 11.168,80 0.551,81 1.539,82 29.229,83 10.986,84 38.157,85 12.545,86 0.447,87 1.492,88 26.106,89 10.08,90 33.565,91 12.172,92 0.387,93 1.473,94 27.364,95 10.347,96 36.626,97 12.728,98 0.443,99 1.277,100 23.668,101 8.793,102 36.228,103 10.639,104 19,105 51,106 0.274,107 0.582,108 0.71,109 0.814,110 0.836,111 0.868,112 3.502,113 0.891,114 -4.34,115 -4.28,116 -4.03,118 46.2,123 3,138 9,139 2,140 4,142 2,143 1,144 1,148 1,156 1,167 6,170 1,171 10,173 1,175 3,178 8,181 1,182 9,186 2,188 6,191 2,192 9,195 2,197 2,199 7,203 2,204 1,206 1,211 7,214 2,215 6,218 2,220 1,223 10,228 6,235 6,239 2,240 7,245 2,247 2,251 1,252 3,257 2,260 1,264 1682,265 22.367,266 22.367,267 22.367,268 22.367,269 22.367,270 19.31,271 21.033,272 12.994,273 23.29,274 17.622,275 17.622,276 17.622,277 17.622,278 17.622,279 12.801,280 31.796,281 5.919,282 18.873,283 4.024,284 2.14,285 1.357,286 0.717,287 0.587,288 0.39,289 4.214,293 1,294 1,295 882,296 3.082,299 68.522,300 355.732,303 134.911,304 143.701,307 1.875,308 23.064,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 69,320 398,321 4.577,322 3.29,323 6.589,324 4.105,325 3.148,326 4.513,327 0.86,328 10.542,329 3.026,330 4.542,331 3.21,332 6.564,333 4.054,334 3.114,335 4.453,336 0.86,337 10.454,338 2.924,339 4.239,340 2.956,341 6.137,342 3.761,343 2.81,344 3.936,345 0.86,346 9.042,347 2.66,348 3.993,349 2.861,350 6.041,351 3.583,352 2.649,353 3.496,354 0.4,355 8.653,356 2.465,357 3.67,358 2.444,359 5.461,360 3.267,361 2.311,362 3.07,364 7.171,365 2.202,366 3.398,367 2.224,368 5.152,369 2.914,370 1.978,371 2.778,373 6.057,374 1.849,375 3.199,376 2.159,377 4.909,378 2.754,379 1.833,380 2.461,382 5.364,383 1.672,384 3.032,385 1.894,386 4.481,387 2.506,388 1.588,389 2.298,391 4.345,392 1.453,393 2.998,394 1.532,395 4.414,396 2.466,397 1.532,398 2.219,400 4.312,401 1.432,402 2.903,403 1.488,404 4.037,405 2.417,406 1.444,407 2.077,409 3.353,410 1.381,411 2.7,412 1.469,413 3.886,414 2.241,415 1.348,416 1.764,417 3.079,418 1.199,419 2.601,420 1.165,421 3.59,422 2.076,423 1.127,424 1.648,425 2.79,426 1.056,427 1.893,428 1,429 3.235,430 1.553,431 0.654,432 0.786,433 1.391,434 0.583,435 1.847,436 0.938,437 3,438 1.343,439 0.47,440 0.539,441 0.86,442 0.405,443 1.657,444 0.916,445 2.952,446 1.239,447 0.375,448 0.521,449 0.756,450 0.315,451 15.433,452 0.482,453 0.649,454 0.02,455 47.5,456 1.484,457 26,458 0.813,459 21.5,460 0.672,461 24.216,462 0.757,463 32.567,464 0.626,465 35.996,466 1.125,467 9.51,468 0.297,469 6.184,470 0.193,471 0.097,473 0.356,478 0.899,479 1.196,480 0.684,481 0.955,482 0.857,483 0.849,484 1.366,485 0.851,486 0.798,487 0.699,488 1.151,489 0.653,490 1.004,491 1.176,492 0.926,493 0.984,494 0.883,495 0.914,496 0.957,497 1.166,498 1.174,499 1.202,500 0.963,501 1.107,502 1.117,503 0.97,504 1.094,505 0.975,506 1.096,507 0.983,508 0.783,509 1.039,510 1.075,511 1.109,512 0.873,513 1.118,514 1.04,515 0.99,516 0.911,517 0.928,518 1.062,519 1.007,520 1.139,521 0.906,522 0.932,523 0.901,524 1.157,525 1.017,526 6,527 0.205,528 3.556,529 2.292,530 2.178,531 1.243,532 0.625,533 0.554,534 0.322,535 0.225,536 14943,537 42175,538 2.154,539 38.5,541 18,543 1,544 1,549 1.744,550 2.043,551 3.609,552 -0.341,558 87.19,559 1.677,560 3.56,561 4.343,562 4.983,563 5.113,564 5.311,565 3.079,566 4.414,567 4.973,568 3.766,569 1867.86,570 8.693,571 27061.3,576 296.423,577 1.317,578 4.943,579 0.167,580 0.007,581 0.07,582 0.042,583 0.043,584 0.026,585 0.014,586 0.014,587 0.01,588 0.008,589 0.4,590 0.17,591 0.88,592 0.797,593 168.061,594 -0.053,595 -0.157,596 0.07,597 -0.046,598 -0.078,599 -0.002,600 -0.159,601 0.18,602 0.131,603 0.264,604 -0.098,605 0.233,606 -0.024,607 -0.12,608 -0.007,609 -0.017,610 0.017,611 -0.032,612 0.041,613 -0.103,614 -0.135,615 -0.182,616 -0.008,617 -0.191,618 -0.046,619 0.026,620 -0.102,621 0.004,622 -0.06,623 -0.021,624 0.07,625 -0.027,626 -0.157,627 -0.165,628 0.028,629 -0.161,630 -0.108,631 -0.025,632 -0.027,633 -0.025,634 -0.075,635 -0.015,636 -0.076,637 0.061,638 -0.026,639 0.009,640 -0.097,641 -0.039,642 1.054,643 2.186,644 0.781,645 31.543,646 1.01,647 1.113,648 3.111,649 9.676,650 0.714,651 3.611,652 3.951,653 4.29,654 4.595,655 4.86,656 4.977,657 5.124,658 5.263,659 5.361,660 5.434,661 7.296,662 0.685,663 444.55,664 3.611,665 5.165,666 6.043,667 6.938,668 7.832,669 8.732,670 9.63,671 10.533,672 11.432,673 12.335,674 7.7,682 1,684 3,689 4,690 10,691 3,694 1,695 7,697 27,709 1,714 3,716 52,718 27,719 3,720 36,722 56,723 24,724 21,725 9,726 9,728 5,729 7,740 21,741 3,760 20,761 7,762 1,763 8,764 1,769 4,775 0.6,776 3,788 1,793 1,794 4,797 1,798 1,819 3,821 1,823 3,827 32,834 1,835 3,844 1,850 5.8,855 3,858 15.667,859 10.6,860 7.167,861 2.819,863 5.373,864 1.638,865 1.022,866 5.704,867 13.798,868 3.922,869 4.608,870 5.299,871 5.962,872 6.575,873 6.968,874 7.421,875 7.883,876 8.261,877 8.581,878 1,879 55,880 11.735,881 4.946,882 7.63,883 22.42,884 18.183,885 2.13,886 68.167,890 223.651,891 190.369,892 68.367,894 33,896 31.278,897 159.091,898 256.651,899 68.367,900 32.649,902 85.286,903 63.057,904 88.163,905 3.074,906 243.158,908 223.651,909 227.458,910 33,911 31.278,913 223.651,914 33,917 31.847,918 145.255,919 50.357,920 31.278,921 223.651,922 101.367,923 190.369,926 223.651,927 63.815,928 126.554,929 18.011,930 83.356,931 223.651,932 101.367,933 190.369,935 0.576,936 0.36,937 0.206,938 0.115,939 26,940 11,941 0.107,942 6,943 2,944 1.16,945 4.305,946 305.623,947 0.16,948 25,949 160,950 1,954 20.767,955 8.789,956 3.942,957 3.69,958 101.367,959 19.242,960 13.539,963 1.641,964 5.309,966 18.011,967 515.387,968 49.5,980 52.534,981 57.863,983 0.294,984 0.625,985 0.762,986 0.874,987 0.897,988 0.932,989 5.152,990 1.588,991 6.028,992 5.364,993 4.635,994 5.296,995 1.751,996 6.872,997 4.509,998 6.385,999 1.532,1000 7.603,1001 4.345,1002 4.205,1003 5.173,1005 7.811,1006 4.033,1007 7.715,1008 1.444,1009 9.276,1010 4.312,1011 6.26,1012 7.625,1013 1.466,1014 10.925,1015 6.033,1016 9.085,1017 1.348,1018 11.007,1019 3.353,1020 6.673,1021 8.348,1023 12.675,1024 6.389,1025 10.486,1026 1.127,1027 12.774,1028 3.079,1029 8.167,1030 10.245,1031 1.234,1032 15.289,1033 7.846,1034 11.91,1035 0.654,1036 14.565,1037 2.79,1038 8.967,1039 11.368,1041 17.371,1042 8.583,1043 13.351,1044 0.47,1045 16.373,1046 1.391,1047 10.237,1048 13.034,1049 1.028,1050 19.81,1051 9.819,1052 3.148,1053 0.375,1054 18.194,1055 0.86,1056 11.216,1057 14.35,1059 22.034,1060 10.736,1061 3.114,1062 10.542,1063 20.024,1064 0.756,1065 12.396,1066 15.915,1067 0.845,1068 24.409,1069 11.88,1070 2.81,1071 10.454,1072 21.861,1073 4.513,1074 13.455,1075 17.324,1077 26.696,1078 12.883,1079 2.649,1080 9.042,1081 23.705,1082 4.453,1083 14.601,1084 18.846,1085 0.684,1086 29.047,1087 13.988,1088 2.311,1089 8.653,1090 25.553,1091 3.936,1092 15.698,1093 20.299,1095 31.364,1096 15.033,1097 1.978,1098 7.171,1099 27.405,1100 3.496,1101 16.832,1102 21.804,1103 0.546,1104 33.709,1105 16.124,1106 1.833,1107 6.057,1108 29.261,1109 3.07,1110 17.947,1111 23.278,1113 36.039,1114 17.189,1115 13866,1116 23465,1117 24.561,1118 37.125,1119 53.536,1120 54.784,1121 55.897,1122 53.49,1123 53.65,1124 74.179,1125 5.96,1126 157.816,1127 50.029,1128 5.351,1129 5.29,1130 6.271,1131 5.215,1132 5.148,1133 7.513,1134 1.72,1135 17.556,1136 5.026,1137 13.303,1138 1.487,1139 1.522,1140 1.553,1141 1.486,1142 1.49,1143 2.061,1144 0.166,1145 4.384,1146 1.39,1147 4.106,1148 4.127,1149 4.332,1150 4.08,1151 5.111,1152 4.044,1153 4.039,1154 4.058,1155 4.044,1156 3.961,1157 4.993,1158 3.968,1159 3.854,1160 3.875,1161 3.814,1162 3.787,1163 4.809,1164 3.787,1165 3.509,1166 3.545,1167 3.468,1168 3.307,1169 4.759,1170 3.325,1171 3.302,1172 3.343,1173 3.42,1174 3.239,1175 4.499,1176 3.203,1177 3.26,1178 3.318,1179 3.114,1180 2.984,1181 4.407,1182 2.999,1183 3.246,1184 3.313,1185 3.058,1186 2.96,1187 4.274,1188 2.969,1189 3.087,1190 3.175,1191 2.926,1192 2.85,1193 4.08,1194 2.843,1195 0.127,1196 0.091,1197 0.183,1198 0.114,1199 0.087,1200 4.577,1201 0.125,1202 3.29,1203 0.024,1204 6.589,1205 0.293,1206 4.105,1207 0.084,1208 3.148,1209 4.513,1210 0.86,1211 10.542,1212 3.026,1213 2.006,1214 1.985,1215 2.057,1216 2.126,1217 1.185,1218 2.106,1219 1.899,1220 1.883,1221 1.983,1222 1.982,1223 1.112,1224 1.982,1225 1.885,1226 1.867,1227 1.953,1228 1.954,1229 1.083,1230 1.968,1231 1.402,1232 1.367,1233 1.61,1234 1.669,1235 0.603,1236 1.643,1237 1.25,1238 1.234,1239 1.576,1240 1.526,1241 0.575,1242 1.54,1243 1.197,1244 1.127,1245 1.57,1246 1.515,1247 0.573,1248 1.533,1249 1.192,1250 1.117,1251 1.364,1252 1.381,1253 0.478,1254 1.397,1255 1.07,1256 0.979,1257 1.258,1258 1.312,1259 0.343,1260 1.33,1261 4.29,1263 5.624,1264 2.398,1265 7.168,1266 4.727,1267 8.806,1268 6.843,1269 10.493,1271 4.864,1278 3.371,1279 16.51,1289 35.631,1290 87.19,1291 185.125,1292 225.854,1293 259.139,1294 265.894,1295 276.158,1296 40.545,1297 8.425,1298 78.39,1299 106.63,1300 29,1301 12.855,1302 4.807,1303 3.858,1304 45.805,1305 142,1306 128,1307 0.158,1308 219.188,1309 364.66,1310 526.578,1311 59673,1313 22.079,1314 0.69,1315 0.58,1316 22.432,1317 18.565,1318 15.695,1319 0.436,1320 0.297,1321 9.759,1322 14.538,1323 9.382,1324 7.827,1325 16.103,1326 10.693,1327 13.706,1328 0.269,1329 0.157,1330 14.348,1331 8.004,1332 12.45,1333 0.173,1334 0.086,1335 13.256,1336 6.199,1337 10.794,1338 0.11,1339 0.046,1340 11.721,1341 4.548,1342 9.069,1343 0.071,1344 0.025,1345 9.886,1346 3.182,1347 0.249,1348 103.32,1349 0.202,1350 29.872,1351 0.428,1352 174,1353 535.335,1354 216.475,1355 531.958,1356 744.13,1357 504,1358 210,1359 542.379,1360 250.902,1361 569.529,1362 837.29,1363 532,1364 5}
{0 CHEMBL473556,1 1.645,2 12.5,3 5.454,4 29.741,5 118.28,6 8.636,7 0.794,8 4.005,9 4.096,10 3.75,11 3.633,12 5.175,13 3.61,14 4.485,15 4.614,16 4.134,17 4.007,18 5.612,19 3.971,20 4.617,21 4.758,22 4.191,23 4.108,24 5.733,25 4.051,26 4.692,27 4.86,28 4.092,29 4.09,30 5.764,31 4.006,32 4.694,33 4.889,34 3.94,35 4.014,36 5.72,37 3.931,38 4.592,39 4.778,40 3.867,41 3.96,42 5.642,43 3.878,44 4.632,45 4.865,46 3.692,47 3.882,48 5.586,49 3.766,50 4.453,51 4.696,52 3.578,53 3.662,54 5.382,55 3.55,56 0.036,57 0.682,58 7.686,59 4.153,60 6.944,61 4.591,62 0.258,63 1.119,64 16.275,65 7.012,66 20.649,67 7.487,68 0.262,69 1.285,70 18.715,71 8.228,72 20.315,73 9.087,74 0.299,75 1.41,76 24.13,77 9.407,78 26.383,79 10.21,80 0.458,81 1.334,82 25.212,83 9.464,84 33.596,85 10.903,86 0.289,87 1.213,88 18.146,89 7.917,90 24.903,91 10.045,92 0.271,93 1.274,94 22.908,95 8.792,96 31.104,97 10.977,98 0.267,99 1.057,100 20.385,101 7.517,102 26.965,103 9.496,104 9,105 48,106 0.273,107 0.582,108 0.716,109 0.824,110 0.838,111 0.844,112 3.44,113 0.897,114 -4.89,115 -4.8,116 -4.5,118 47.9,123 2,138 10,139 2,140 3,142 2,143 1,144 1,148 1,156 1,167 8,170 1,171 8,173 1,175 3,178 9,181 1,182 9,186 3,188 8,191 1,192 7,195 1,197 2,199 7,203 2,204 2,206 1,211 10,214 1,215 3,218 2,220 1,223 13,228 4,235 7,239 1,240 7,245 2,247 2,252 4,257 2,260 1,264 1406,265 20.997,266 20.997,267 20.997,268 20.997,269 20.997,270 17.94,271 16.719,272 12.26,273 21.749,274 16.7,275 16.7,276 16.7,277 16.7,278 16.7,279 11.979,280 25.44,281 5.672,282 17.779,283 3.94,284 2.074,285 1.265,286 0.615,287 0.531,288 0.49,289 4.155,293 1,294 1,295 838,296 2.828,299 64.921,300 329.575,303 127.299,304 133.023,307 1.933,308 19.009,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 64,320 375,321 4.574,322 3.287,323 6.585,324 4.098,325 3.133,326 4.513,327 0.86,328 10.527,329 3.023,330 4.508,331 3.065,332 6.372,333 3.981,334 3.059,335 4.437,336 0.86,337 9.883,338 2.824,339 4.088,340 2.95,341 6.043,342 3.662,343 2.709,344 3.711,345 0.4,346 8.667,347 2.593,348 3.976,349 2.656,350 5.907,351 3.549,352 2.594,353 3.488,355 8.251,356 2.45,357 3.667,358 2.406,359 5.425,360 3.264,361 2.308,362 3.067,364 7.086,365 2.198,366 3.386,367 2.224,368 5.053,369 2.897,370 1.95,371 2.77,373 5.879,374 1.841,375 3.036,376 1.916,377 4.498,378 2.543,379 1.615,380 2.298,382 4.419,383 1.504,384 3.032,385 1.534,386 4.414,387 2.481,388 1.532,389 2.281,391 4.312,392 1.447,393 2.984,394 1.532,395 4.279,396 2.45,397 1.513,398 2.208,400 3.868,401 1.391,402 2.709,403 1.47,404 3.886,405 2.243,406 1.349,407 1.782,409 3.079,410 1.201,411 2.63,412 1.194,413 3.591,414 2.102,415 1.168,416 1.685,417 2.835,418 1.074,419 2.5,420 1,421 3.414,422 2,423 1,424 1.5,425 2.275,426 1,427 1.893,428 1,429 3.218,430 1.553,431 0.654,432 0.786,433 1.384,434 0.583,435 1.847,436 0.917,437 3,438 1.24,439 0.375,440 0.521,441 0.86,442 0.315,443 1.52,444 0.347,445 2.848,446 1.223,447 0.347,448 0.411,449 0.517,450 0.304,451 14.6,452 0.487,453 0.598,454 0.02,455 45.5,456 1.517,457 25.5,458 0.85,459 20,460 0.667,461 21.092,462 0.703,463 29.8,464 0.621,465 32.512,466 1.084,467 9.01,468 0.3,469 5.736,470 0.191,471 0.068,473 0.342,478 0.889,479 1.139,480 0.679,481 0.896,482 0.858,483 0.812,484 1.28,485 0.903,486 0.804,487 0.761,488 1.086,489 0.719,490 0.956,491 1.162,492 0.943,493 0.983,494 0.849,495 0.938,496 1.08,497 1.145,498 1.296,499 1.199,500 1.069,501 1.112,502 1.134,503 0.892,504 1.085,505 0.93,506 1.094,507 0.958,508 0.711,509 1.036,510 0.83,511 0.992,512 0.861,513 1.127,514 0.939,515 0.979,516 0.97,517 0.944,518 1.133,519 1.067,520 0.96,521 0.871,522 0.829,523 0.856,524 0.963,525 0.934,526 5.5,527 0.16,528 3.333,529 1.729,530 2.027,531 0.934,532 0.436,533 0.459,534 0.221,535 0.144,536 13393,537 36953,538 2.186,539 37.5,541 16,543 1,544 1,549 1.724,550 2.093,551 3.604,552 -0.349,558 78.978,559 1.645,560 3.511,561 4.32,562 4.97,563 5.054,564 5.095,565 3.086,566 4.123,567 4.88,568 3.777,569 1643.18,570 8.487,571 23151.4,576 268.078,577 1.231,578 4.859,579 0.162,580 0.007,581 0.069,582 0.035,583 0.046,584 0.023,585 0.012,586 0.015,587 0.009,588 0.006,589 0.384,590 0.17,591 0.88,592 0.684,593 155.535,594 -0.047,595 -0.127,596 0.067,597 -0.019,598 -0.086,599 0.01,600 -0.105,601 0.12,602 0.104,603 0.182,604 -0.074,605 0.148,606 0.023,607 -0.128,608 -0.01,609 -0.027,610 0.059,611 -0.051,612 -0.08,613 -0.088,614 -0.22,615 -0.175,616 -0.098,617 -0.185,618 -0.005,619 0.093,620 -0.112,621 0.035,622 -0.019,623 0.012,624 0.11,625 -0.082,626 -0.079,627 -0.142,628 0.028,629 -0.181,630 -0.112,631 -0.004,632 -0.072,633 -0.029,634 -0.174,635 -0.053,636 -0.003,637 0.086,638 0.14,639 0.096,640 0.053,641 0.112,642 1.033,643 1.925,644 0.833,645 29.991,646 1.007,647 1.109,648 3.659,649 13.385,650 0.727,651 3.555,652 3.892,653 4.22,654 4.511,655 4.779,656 4.875,657 4.997,658 5.136,659 5.231,660 5.273,661 7.356,662 0.696,663 414.52,664 3.555,665 5.106,666 5.979,667 6.868,668 7.756,669 8.649,670 9.541,671 10.436,672 11.33,673 12.226,674 8.3,682 1,684 3,689 4,690 11,691 3,694 1,695 6,697 27,709 1,714 2,716 48,718 27,719 3,720 34,722 52,723 23,724 21,725 8,726 10,728 5,729 7,740 21,741 2,760 18,761 6,762 1,763 7,764 1,769 4,775 0.6,776 2,788 1,793 1,794 4,797 1,798 1,819 3,821 1,823 2,827 30,834 1,835 2,844 1,850 4.2,855 2,858 14.333,859 9.517,860 6.639,861 2.66,863 5.437,864 1.651,865 1.041,866 5.032,867 13.785,868 3.882,869 4.567,870 5.253,871 5.911,872 6.528,873 6.903,874 7.346,875 7.809,876 8.18,877 8.466,878 1,879 50,880 11,881 4.662,882 7.6,883 21.11,884 17.291,885 2.1,886 63,890 200.109,891 183.719,892 68.367,894 22,896 31.278,897 152.441,898 222.109,899 68.367,900 21.766,902 94.762,903 63.057,904 71.92,905 3.074,906 219.615,908 200.109,909 220.808,910 22,911 31.278,913 200.109,914 22,917 31.847,918 138.604,919 50.357,920 31.278,921 200.109,922 90.367,923 183.719,926 200.109,927 58.571,928 125.147,929 18.011,930 72.356,931 200.109,932 90.367,933 183.719,935 0.578,936 0.355,937 0.2,938 0.112,939 25,940 10,941 0.096,942 5,943 2,944 1.16,945 4.244,946 275.938,947 0.16,948 25,949 141.207,950 1,954 18.92,955 7.978,956 3.636,957 3.838,958 90.367,959 21.607,960 13.487,963 1.692,964 4.986,966 18.011,967 474.194,968 47.5,980 48.323,981 53.238,983 0.295,984 0.629,985 0.773,986 0.89,987 0.905,988 0.912,989 5.104,990 1.532,991 5.958,992 4.419,993 4.575,994 5.255,995 1.454,996 6.786,997 4.458,998 6.335,999 1.513,1000 7.522,1001 4.312,1002 4.111,1003 5.094,1005 7.687,1006 3.944,1007 7.659,1008 1.349,1009 9.184,1010 3.868,1011 6.184,1012 7.577,1013 1.175,1014 10.791,1015 5.969,1016 9.023,1017 1.168,1018 10.903,1019 3.079,1020 6.567,1021 8.272,1023 12.509,1024 6.286,1025 10.418,1026 1,1027 12.658,1028 2.835,1029 8.072,1030 10.189,1031 0.966,1032 15.108,1033 7.76,1034 11.836,1035 0.654,1036 14.438,1037 2.275,1038 8.846,1039 11.294,1041 17.162,1042 8.463,1043 13.272,1044 0.375,1045 16.235,1046 1.384,1047 10.12,1048 12.971,1049 0.788,1050 19.583,1051 9.706,1052 3.133,1053 0.347,1054 18.044,1055 0.86,1056 11.078,1057 14.277,1059 21.784,1060 10.597,1061 3.059,1062 10.527,1063 19.863,1064 0.517,1065 12.256,1066 15.849,1067 0.634,1068 24.141,1069 11.74,1070 2.709,1071 9.883,1072 21.689,1073 4.513,1074 13.3,1075 17.254,1077 26.409,1078 12.725,1079 2.594,1080 8.667,1081 23.521,1082 4.437,1083 14.441,1084 18.78,1085 0.504,1086 28.745,1087 13.826,1088 2.308,1089 8.251,1090 25.358,1091 3.711,1092 15.526,1093 20.232,1095 31.045,1096 14.858,1097 1.95,1098 7.086,1099 27.199,1100 3.488,1101 16.653,1102 21.74,1103 0.395,1104 33.375,1105 15.944,1106 1.615,1107 5.879,1108 29.043,1109 3.067,1110 17.759,1111 23.215,1113 35.692,1114 17.001,1115 12299,1116 20588,1117 23.463,1118 34.909,1119 50.79,1120 51.629,1121 52.361,1122 50.686,1123 50.809,1124 71.162,1125 4.24,1126 148.139,1127 47.679,1128 5.346,1129 5.287,1130 6.267,1131 5.205,1132 5.133,1133 7.513,1134 1.72,1135 17.46,1136 5.023,1137 10.577,1138 1.494,1139 1.519,1140 1.54,1141 1.491,1142 1.494,1143 2.093,1144 0.125,1145 4.357,1146 1.402,1147 4.104,1148 4.126,1149 4.33,1150 4.08,1151 5.108,1152 4.042,1153 4.039,1154 4.058,1155 4.043,1156 3.961,1157 4.983,1158 3.968,1159 3.842,1160 3.871,1161 3.79,1162 3.785,1163 4.782,1164 3.78,1165 3.507,1166 3.543,1167 3.468,1168 3.306,1169 4.687,1170 3.324,1171 3.301,1172 3.34,1173 3.416,1174 3.238,1175 4.498,1176 3.203,1177 3.25,1178 3.314,1179 3.083,1180 2.973,1181 4.274,1182 2.984,1183 3.089,1184 3.176,1185 2.956,1186 2.855,1187 4.091,1188 2.85,1189 3.018,1190 3.091,1191 2.881,1192 2.825,1193 4.021,1194 2.822,1195 0.135,1196 0.097,1197 0.194,1198 0.121,1199 0.092,1200 4.574,1201 0.133,1202 3.287,1203 0.025,1204 6.585,1205 0.31,1206 4.098,1207 0.089,1208 3.133,1209 4.513,1210 0.86,1211 10.527,1212 3.023,1213 2.006,1214 1.985,1215 2.06,1216 2.126,1217 1.185,1218 2.107,1219 1.899,1220 1.883,1221 1.987,1222 1.978,1223 1.111,1224 1.983,1225 1.89,1226 1.866,1227 1.968,1228 1.95,1229 1.082,1230 1.97,1231 1.402,1232 1.366,1233 1.609,1234 1.666,1235 0.602,1236 1.641,1237 1.25,1238 1.234,1239 1.576,1240 1.525,1241 0.575,1242 1.54,1243 1.193,1244 1.12,1245 1.367,1246 1.387,1247 0.479,1248 1.401,1249 1.071,1250 0.981,1251 1.259,1252 1.312,1253 0.344,1254 1.33,1255 0.967,1256 0.906,1257 1.181,1258 1.173,1259 0.218,1260 1.177,1261 4.234,1263 5.565,1264 2.398,1265 7.102,1266 4.727,1267 8.732,1268 6.843,1269 10.407,1271 3.221,1278 3.376,1279 10.794,1289 33.39,1290 78.978,1291 168.541,1292 207.349,1293 238.568,1294 242.568,1295 244.568,1296 34.863,1297 8.348,1298 69.16,1299 97.4,1300 29,1301 12.751,1302 4.807,1303 3.858,1304 41.846,1305 135,1306 114,1307 0.152,1308 205.599,1309 338.57,1310 493.422,1311 56075,1313 20.501,1314 0.683,1315 0.574,1316 20.855,1317 17.234,1318 14.746,1319 0.434,1320 0.299,1321 9.272,1322 13.742,1323 8.939,1324 7.441,1325 15.154,1326 10.164,1327 12.976,1328 0.27,1329 0.16,1330 13.618,1331 7.666,1332 11.728,1333 0.175,1334 0.088,1335 12.55,1336 5.915,1337 10.036,1338 0.112,1339 0.048,1340 10.934,1341 4.282,1342 8.476,1343 0.072,1344 0.025,1345 9.24,1346 2.984,1347 0.243,1348 96.513,1349 0.206,1350 28.572,1351 0.404,1352 164,1353 479.6,1354 203.596,1355 485.722,1356 683.16,1357 460,1358 197,1359 500.834,1360 234.912,1361 527.997,1362 776.04,1363 495,1364 5}
{0 CHEMBL473557,1 1.74,2 11.607,3 6.356,4 40.401,5 110.375,6 10.172,7 0.844,8 3.842,9 3.926,10 3.719,11 3.563,12 5.071,13 3.534,14 4.303,15 4.406,16 4.15,17 3.958,18 5.558,19 3.914,20 4.519,21 4.668,22 4.186,23 4.031,24 5.758,25 3.964,26 4.504,27 4.676,28 4.057,29 3.925,30 5.727,31 3.847,32 4.374,33 4.553,34 3.958,35 3.799,36 5.652,37 3.743,38 4.273,39 4.418,40 3.902,41 3.74,42 5.592,43 3.705,44 4.323,45 4.509,46 3.721,47 3.673,48 5.627,49 3.601,50 4.179,51 4.399,52 3.612,53 3.456,54 5.407,55 3.376,56 0.069,57 0.614,58 3.38,59 2.83,60 5.585,61 2.888,62 0.162,63 1.024,64 6.621,65 4.798,66 12.205,67 4.869,68 0.326,69 1.309,70 15.785,71 7.197,72 31.146,73 7.201,74 0.397,75 1.344,76 19.694,77 7.825,78 38.109,79 6.905,80 0.407,81 1.244,82 16.113,83 6.72,84 41.52,85 6.414,86 0.251,87 1.004,88 10.268,89 5.162,90 21.516,91 5.699,92 0.316,93 1.138,94 14.135,95 6.513,96 35.133,97 7.073,98 0.332,99 1.006,100 14.564,101 6.151,102 42.393,103 6.66,104 5,105 46,106 0.298,107 0.577,108 0.76,109 0.902,110 0.91,111 0.91,112 3.375,113 0.909,114 -6.34,115 -6.18,116 -5.73,118 52.5,138 10,139 2,140 3,142 2,143 1,144 1,148 1,156 1,167 8,170 1,171 6,173 1,175 2,178 11,182 6,186 3,188 8,192 7,195 1,197 3,199 6,204 2,211 9,215 3,218 1,220 2,223 11,228 2,235 7,239 1,240 3,245 2,247 4,252 1,257 2,260 3,264 1154,265 19.256,266 19.256,267 19.256,268 19.256,269 19.256,270 16.094,271 11.044,272 11.236,273 19.849,274 15.835,275 15.835,276 15.835,277 15.835,278 15.835,279 11.127,280 16.018,281 5.375,282 16.926,283 3.581,284 1.951,285 0.88,286 0.05,289 4.09,290 1,294 1,295 736,296 2.449,299 58.358,300 300.342,303 115.049,304 120.88,307 1.878,308 26.578,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 59.833,320 325,321 4.535,322 3.254,323 6.534,324 4.054,325 3.102,326 4.464,327 0.4,328 10.319,329 2.97,330 4.508,331 3.114,332 6.388,333 3.99,334 3.051,335 4.44,337 9.934,338 2.853,339 4.225,340 2.998,341 6.086,342 3.76,343 2.806,344 3.907,346 8.838,347 2.66,348 3.794,349 2.774,350 5.812,351 3.388,352 2.436,353 3.234,355 7.909,356 2.309,357 3.659,358 2.464,359 5.299,360 3.17,361 2.268,362 3.098,364 6.612,365 2.004,366 3.279,367 2.134,368 4.813,369 2.769,370 1.856,371 2.614,373 5.279,374 1.654,375 3.032,376 1.73,377 4.414,378 2.507,379 1.54,380 2.298,382 4.312,383 1.488,384 3.023,385 1.552,386 4.378,387 2.459,388 1.532,389 2.275,391 4.116,392 1.4,393 2.982,394 1.532,395 4.196,396 2.445,397 1.507,398 2.206,400 3.735,401 1.388,402 2.826,403 1.52,404 4.062,405 2.353,406 1.411,407 1.958,409 3.529,410 1.313,411 2.652,412 1.191,413 3.592,414 2.114,415 1.175,416 1.723,417 2.835,418 1.087,419 2.396,420 0.987,421 3.407,422 1.891,423 0.938,424 1.35,425 2.219,426 0.886,427 1.847,428 0.555,429 3.022,430 1.243,431 0.347,432 0.521,433 0.86,434 0.304,435 1.569,436 0.347,437 3,438 1.191,439 0.273,440 0.342,441 0.69,442 0.247,443 1.152,444 0.313,445 2.614,446 0.645,447 -0.232,448 -0.3,449 -0.549,450 -0.159,451 13.933,452 0.498,453 0.674,454 0.024,455 43,456 1.536,457 24.5,458 0.875,459 18.5,460 0.661,461 19.434,462 0.694,463 26.867,464 0.672,465 29.544,466 1.055,467 8.317,468 0.297,469 5.353,470 0.191,471 0.072,473 0.359,477 1,478 0.622,479 0.909,480 0.557,481 0.713,482 0.557,483 0.682,484 0.661,485 0.966,486 0.688,487 0.873,488 0.605,489 0.842,490 0.992,491 1.06,492 1.02,493 1.013,494 0.928,495 0.994,496 1.258,497 1.122,498 1.248,499 1.179,500 1.206,501 1.083,502 1.035,503 0.94,504 0.877,505 0.927,506 1.115,507 0.888,508 0.995,509 1.225,510 0.773,511 1.075,512 1.216,513 1.092,514 1.306,515 1.274,516 0.924,517 1.112,518 1.562,519 1.181,520 1.597,521 1.213,522 0.831,523 0.878,524 1.943,525 0.937,526 5.5,527 0.106,528 3.333,529 1.729,530 1.867,531 0.837,532 0.514,533 0.428,534 0.285,535 0.118,536 11083,537 35259,538 2.2,539 30,541 10,543 1,544 1,549 1.707,550 2.1,551 3.488,552 -0.323,558 69.619,559 1.74,560 3.371,561 4.441,562 5.272,563 5.322,564 5.322,565 2.942,566 4.379,567 4.78,568 3.664,569 1385.06,570 8.291,571 18248.1,576 212.877,577 1.264,578 4.757,579 0.172,580 0.005,581 0.072,582 0.038,583 0.048,584 0.023,585 0.015,586 0.015,587 0.012,588 0.006,589 0.406,590 0.33,591 0.75,592 0.444,593 141.091,594 -0.053,595 -0.051,596 0.018,597 0.034,598 -0.071,599 0.034,600 0.021,601 -0.062,602 0.018,603 -0.047,605 -0.073,606 -0.055,607 -0.081,608 -0.086,609 -0.062,610 -0.027,611 -0.081,612 -0.169,613 -0.031,614 -0.214,615 -0.115,616 -0.125,617 -0.12,618 0.069,619 0.152,620 0.02,621 0.066,622 0.06,623 0.093,624 0.104,625 -0.19,626 -0.008,627 -0.239,628 0.011,629 -0.189,630 -0.02,631 -0.128,632 -0.071,633 -0.135,634 -0.02,635 -0.144,636 -0.106,637 0.023,638 0.167,639 0.203,640 -0.151,641 0.204,642 2.044,643 6.791,644 0.893,645 25.73,646 1.018,647 1.107,648 5.111,649 26.125,650 0.782,651 3.497,652 3.85,653 4.159,654 4.454,655 4.718,656 4.796,657 4.913,658 5.081,659 5.182,660 5.22,661 6.811,662 0.753,663 406.89,664 3.497,665 5.056,666 5.927,667 6.819,668 7.704,669 8.598,670 9.488,671 10.383,672 11.274,673 12.17,674 10,682 1,684 3,689 4,690 11,691 3,694 1,695 6,697 27,709 1,715 2,716 40,718 27,719 3,720 32,722 44,723 21,724 21,725 8,726 10,728 5,729 7,730 1,740 21,758 1,760 12,761 5,762 1,763 7,764 2,769 4,775 0.6,788 1,793 1,794 4,797 1,798 1,819 3,821 1,824 1,825 1,827 28,834 1,844 1,849 2,858 13.333,859 7.469,860 5.972,861 2.314,863 5.377,864 1.661,865 1.082,866 4.327,867 13.513,868 3.839,869 4.546,870 5.221,871 5.879,872 6.485,873 6.838,874 7.278,875 7.77,876 8.141,877 8.442,878 0.875,879 46,880 10.322,881 4.551,882 7.79,883 19.474,884 16.362,885 2.29,886 64.111,890 129.482,891 164.087,892 68.367,893 39.149,895 14.96,896 31.278,897 132.81,898 168.631,899 83.327,902 94.762,903 63.057,904 52.055,905 18.034,906 148.989,907 39.149,908 129.482,909 201.177,910 14.96,911 70.426,913 144.442,917 31.847,918 118.973,919 89.505,920 31.278,921 144.442,922 68.367,923 203.236,926 129.482,927 60.706,928 103.381,929 18.011,930 104.465,931 129.482,932 83.327,933 203.236,935 0.589,936 0.349,937 0.194,938 0.11,939 25,940 10,941 0.068,942 3,943 2,944 1.16,945 4.076,946 254.106,947 0.16,948 25,949 134.606,950 1,954 17.328,955 6.991,956 3.304,957 3.445,958 83.327,959 19.645,960 13.03,963 1.541,964 2.589,966 18.011,967 416.045,968 45.5,980 40.738,981 44.273,983 0.327,984 0.633,985 0.835,986 0.991,987 1,988 1,989 5.067,990 1.532,991 5.916,992 4.312,993 4.533,994 5.234,995 0.278,996 6.742,997 4.404,998 6.31,999 1.507,1000 7.48,1001 4.116,1002 4.111,1003 5.094,1005 7.627,1006 3.884,1007 7.637,1008 1.411,1009 9.142,1010 3.735,1011 6.142,1012 7.563,1013 0.05,1014 10.736,1015 5.908,1016 9.002,1017 1.175,1018 10.859,1019 3.529,1020 6.538,1021 8.261,1023 12.441,1024 6.213,1025 10.397,1026 0.938,1027 12.613,1028 2.835,1029 8.031,1030 10.176,1031 0.008,1032 15.045,1033 7.697,1034 11.814,1035 0.347,1036 14.391,1037 2.219,1038 8.809,1039 11.28,1041 17.087,1042 8.392,1043 13.249,1044 0.273,1045 16.186,1046 0.86,1047 10.078,1048 12.956,1049 0.001,1050 19.507,1051 9.642,1052 3.102,1053 -0.232,1054 17.994,1055 0.69,1056 11.036,1057 14.259,1059 21.696,1060 10.527,1061 3.051,1062 10.319,1063 19.812,1064 -0.549,1065 12.211,1066 15.828,1068 24.047,1069 11.671,1070 2.806,1071 9.934,1072 21.637,1073 4.464,1074 13.252,1075 17.227,1077 26.301,1078 12.647,1079 2.436,1080 8.838,1081 23.467,1082 4.44,1083 14.388,1084 18.748,1086 28.626,1087 13.745,1088 2.268,1089 7.909,1090 25.303,1091 3.907,1092 15.469,1093 20.193,1095 30.911,1096 14.767,1097 1.856,1098 6.612,1099 27.142,1100 3.234,1101 16.591,1102 21.695,1104 33.227,1105 15.845,1106 1.54,1107 5.279,1108 28.984,1109 3.098,1110 17.69,1111 23.162,1113 35.528,1114 16.889,1115 10071,1116 18130,1117 22.076,1118 31.273,1119 48.845,1120 49.301,1121 49.51,1122 48.677,1123 48.487,1124 68.859,1125 0.8,1126 142.374,1127 45.125,1128 5.309,1129 5.254,1130 6.216,1131 5.162,1132 5.102,1133 7.464,1134 0.8,1135 17.239,1136 4.97,1137 9.683,1138 1.526,1139 1.541,1140 1.547,1141 1.521,1142 1.515,1143 2.152,1144 0.025,1145 4.449,1146 1.41,1147 4.101,1148 4.125,1149 4.331,1150 4.08,1151 8.201,1152 4.042,1153 4.035,1154 4.057,1155 4.096,1156 3.969,1157 5.111,1158 3.969,1159 3.851,1160 3.877,1161 3.835,1162 3.786,1163 4.978,1164 3.785,1165 3.427,1166 3.475,1167 3.626,1168 3.306,1169 4.774,1170 3.297,1171 3.292,1172 3.329,1173 3.44,1174 3.229,1175 4.601,1176 3.194,1177 3.047,1178 3.111,1179 3.025,1180 2.896,1181 4.264,1182 2.9,1183 2.898,1184 2.956,1185 2.974,1186 2.794,1187 4.117,1188 2.769,1189 2.884,1190 2.939,1191 2.851,1192 2.733,1193 4.054,1194 2.735,1195 0.142,1196 0.102,1197 0.204,1198 0.127,1199 0.097,1200 4.535,1201 0.139,1202 3.254,1203 0.013,1204 6.534,1205 0.322,1206 4.054,1207 0.093,1208 3.102,1209 4.464,1210 0.4,1211 10.319,1212 2.97,1213 2.01,1214 1.985,1215 2.06,1216 2.117,1217 1.18,1218 2.104,1219 1.899,1220 1.883,1221 1.983,1222 1.976,1223 1.108,1224 1.981,1225 1.883,1226 1.862,1227 1.948,1228 1.949,1229 1.073,1230 1.962,1231 1.362,1232 1.324,1233 1.453,1234 1.537,1235 0.497,1236 1.53,1237 1.231,1238 1.212,1239 1.265,1240 1.361,1241 0.381,1242 1.364,1243 0.995,1244 0.944,1245 1.178,1246 1.184,1247 0.237,1248 1.189,1249 0.917,1250 0.884,1251 1.116,1252 1.068,1253 0.184,1254 1.078,1255 0.861,1256 0.805,1257 1.051,1258 1.005,1259 0.171,1260 1.051,1261 4.174,1263 5.517,1264 2.398,1265 7.059,1266 4.727,1267 8.689,1268 6.843,1269 10.363,1272 6.016,1273 14.791,1278 3.054,1289 30.118,1290 69.619,1291 134.849,1292 177.658,1293 210.877,1294 212.877,1295 212.877,1296 40.029,1297 8.135,1298 50.7,1299 78.94,1300 29,1301 12.695,1302 4.807,1303 3.858,1304 37.851,1305 116,1306 104,1307 0.16,1308 187.953,1309 307.67,1310 450.365,1311 42787,1312 5,1313 19.087,1314 0.682,1315 0.569,1316 19.071,1317 15.929,1318 13.67,1319 0.427,1320 0.303,1321 8.513,1322 12.554,1323 8.255,1324 6.787,1325 13.956,1326 9.695,1327 12.615,1328 0.274,1329 0.166,1330 13.136,1331 7.657,1332 10.996,1333 0.175,1334 0.09,1335 11.614,1336 5.682,1337 9.455,1338 0.111,1339 0.049,1340 10.244,1341 4.131,1342 7.999,1343 0.072,1344 0.026,1345 8.697,1346 2.912,1347 0.253,1348 91.868,1349 0.213,1350 26.857,1351 0.431,1352 156,1353 496.443,1354 209.189,1355 517.28,1356 705.14,1357 484,1358 187,1359 489.939,1360 232.336,1361 519.899,1362 767.3,1363 491,1364 6}
{0 CHEMBL473761,1 1.672,2 13.405,3 6.653,4 44.265,5 145.523,6 8.494,7 0.762,8 4.232,9 4.339,10 3.951,11 3.814,12 5.397,13 3.802,14 4.716,15 4.861,16 4.345,17 4.191,18 5.852,19 4.165,20 4.853,21 5.014,22 4.37,23 4.277,24 5.967,25 4.23,26 4.936,27 5.128,28 4.315,29 4.272,30 6.008,31 4.202,32 4.905,33 5.098,34 4.239,35 4.223,36 5.971,37 4.174,38 4.886,39 5.072,40 4.251,41 4.251,42 5.959,43 4.198,44 4.977,45 5.192,46 4.197,47 4.255,48 6.003,49 4.187,50 4.925,51 5.14,52 4.158,53 4.181,54 5.932,55 4.111,56 0.094,57 0.948,58 10.184,59 5.053,60 9.086,61 5.716,62 0.354,63 1.506,64 20.762,65 8.65,66 25.712,67 9.844,68 0.402,69 1.729,70 24.237,71 9.575,72 29.026,73 10.902,74 0.469,75 1.847,76 31.425,77 11.362,78 38.195,79 13.202,80 0.605,81 1.74,82 29.438,83 10.249,84 39.97,85 12.032,86 0.415,87 1.714,88 24.269,89 9.963,90 31.276,91 12.967,92 0.484,93 1.86,94 29.861,95 10.725,96 42.639,97 13.456,98 0.464,99 1.714,100 28.948,101 10.537,102 38.6,103 13.259,104 14,105 60,106 0.264,107 0.6,108 0.742,109 0.842,110 0.852,111 0.857,112 3.642,113 0.884,114 -4.97,115 -4.87,116 -4.57,118 45,119 1,123 2,138 11,139 2,140 3,142 2,143 2,146 1,148 2,156 1,163 1,167 8,170 1,171 9,173 4,175 6,178 10,181 1,182 10,185 1,186 3,188 8,191 3,192 9,195 1,196 1,197 5,199 7,203 2,204 2,206 3,208 1,211 10,214 1,215 7,218 4,220 4,223 15,228 5,231 1,232 1,233 4,235 8,239 2,240 10,245 5,247 6,251 1,252 7,255 1,257 4,260 4,264 2935,265 25.616,266 25.616,267 25.616,268 25.616,269 25.616,270 21.94,271 28.631,272 14.899,273 26.501,274 20.683,275 20.683,276 20.683,277 20.683,278 20.683,279 14.975,280 48.828,281 7.004,282 21.998,283 4.235,284 2.102,285 1.205,286 0.571,287 0.504,288 0.471,289 4.361,294 1,295 1110,296 3.24,299 179.727,300 417.07,303 161.673,304 169.852,307 1.962,308 25.524,311 0.75,312 0.5,313 0.83,314 0.5,316 0.83,317 1,318 0.63,319 79.5,320 496,321 4.603,322 3.304,323 6.609,324 4.126,325 3.166,326 4.546,327 0.86,328 10.638,329 3.041,330 4.508,331 3.066,332 6.372,333 3.981,334 3.059,335 4.437,336 0.86,337 9.883,338 2.824,339 4.123,340 3.012,341 6.055,342 3.702,343 2.764,344 3.729,345 0.4,346 8.741,347 2.6,348 4.085,349 2.854,350 5.907,351 3.654,352 2.694,353 3.71,354 0.4,355 8.255,356 2.588,357 3.996,358 2.669,359 5.649,360 3.56,361 2.602,362 3.533,364 7.869,365 2.463,366 3.686,367 2.451,368 5.433,369 3.287,370 2.338,371 3.084,373 7.121,374 2.215,375 3.537,376 2.339,377 5.206,378 3.113,379 2.174,380 2.908,382 6.503,383 2.032,384 3.376,385 2.22,386 5.066,387 2.89,388 1.944,389 2.745,391 5.93,392 1.834,393 3.049,394 1.917,395 4.576,396 2.627,397 1.691,398 2.298,400 4.769,401 1.58,402 3.032,403 1.852,404 4.43,405 2.515,406 1.567,407 2.269,409 4.312,410 1.492,411 3.017,412 1.534,413 4.414,414 2.457,415 1.532,416 2.222,417 4.241,418 1.396,419 2.806,420 1.532,421 4.279,422 2.41,423 1.486,424 1.898,425 3.851,426 1.358,427 2.637,428 1.204,429 3.594,430 2.102,431 1.168,432 1.699,433 2.836,434 1.074,435 2.5,436 1.063,437 3.542,438 2,439 1,440 1.5,441 2.275,442 1,443 2.21,444 1,445 3.414,446 1.724,447 0.772,448 1.076,449 1.8,450 0.728,451 17.8,452 0.481,453 0.841,454 0.023,455 55,456 1.486,457 30,458 0.811,459 25,460 0.676,461 29.575,462 0.799,463 37.4,464 0.623,465 43.286,466 1.17,467 10.878,468 0.294,469 7.211,470 0.195,471 0.084,473 0.365,478 0.92,479 1.147,480 0.697,481 0.901,482 0.911,483 0.816,484 1.105,485 0.978,486 0.756,487 0.822,488 0.909,489 0.759,490 1.091,491 1.161,492 1.003,493 0.986,494 1.054,495 0.964,496 1.025,497 1.069,498 1.175,499 1.108,500 0.991,501 1.018,502 1.228,503 0.924,504 1.068,505 0.886,506 1.181,507 0.902,508 0.687,509 1.079,510 0.758,511 0.958,512 0.783,513 1.026,514 1.092,515 0.987,516 0.963,517 0.9,518 1.219,519 1,520 1.132,521 0.975,522 0.889,523 0.913,524 1.012,525 0.99,526 8,527 0.293,528 3.556,529 2.611,530 2.178,531 1.407,532 0.74,533 0.74,534 0.445,535 0.33,536 23006,537 62447,538 2.18,539 38.3,541 17,544 3,545 3,549 1.783,550 2.075,551 3.69,552 0.809,558 100.338,559 1.672,560 3.804,561 4.702,562 5.336,563 5.402,564 5.436,565 3.105,566 4.757,567 5.178,568 3.898,569 2595.86,570 9.128,571 42608.8,576 354.413,577 1.288,578 5.156,579 0.19,580 0.007,581 0.059,582 0.044,583 0.039,584 0.026,585 0.013,586 0.014,587 0.009,588 0.007,589 0.408,590 0.17,591 0.75,592 0.662,593 203.829,594 -0.043,595 -0.056,596 0.062,597 0.007,598 -0.121,599 0.027,600 0.018,601 0.073,602 0.149,603 0.138,604 0.084,605 0.132,606 -0.061,607 -0.08,608 -0.067,609 -0.031,610 -0.082,611 -0.076,612 -0.01,613 -0.013,614 -0.103,615 -0.085,616 0.03,617 -0.072,618 -0.054,619 0.112,620 -0.121,621 0.049,622 -0.085,623 0.019,624 0.156,625 -0.083,626 -0.002,627 -0.097,628 0.109,629 -0.092,630 -0.128,631 0.027,632 -0.109,633 -0.022,634 -0.206,635 -0.059,636 -0.071,637 -0.003,638 -0.007,639 -0.01,640 -0.009,641 -0.025,642 1.264,643 2.024,644 0.811,645 46.513,646 1.009,647 1.119,648 3.736,649 13.954,650 0.711,651 3.761,652 4.111,653 4.419,654 4.727,655 4.977,656 5.124,657 5.303,658 5.501,659 5.656,660 5.762,661 8.082,662 0.683,663 509.64,664 3.761,665 5.323,666 6.192,667 7.086,668 7.97,669 8.868,670 9.758,671 10.658,672 11.551,673 12.453,674 11.7,682 3,684 4,689 4,690 11,691 4,692 1,694 1,695 9,697 32,709 2,714 2,716 60,718 32,719 3,720 42,722 65,723 27,724 24,725 8,726 10,728 6,729 8,732 1,740 24,741 3,760 23,761 8,762 3,763 10,764 1,769 7,775 0.667,776 2,785 1,788 1,793 2,794 4,797 1,798 1,819 4,821 1,823 3,827 37,834 2,835 2,844 1,850 3.3,855 2,858 17.833,859 11.967,860 8.056,861 3.331,863 5.939,864 1.667,865 1.047,866 6.365,867 14.843,868 4.078,869 4.766,870 5.427,871 6.088,872 6.664,873 7.076,874 7.56,875 8.068,876 8.492,877 8.85,878 0.889,879 60,880 13.574,881 5.781,882 7.608,883 25.984,884 21.294,885 2.108,886 78,890 235.422,891 200.385,892 119.704,894 22,896 31.278,897 169.108,898 257.422,899 119.704,900 30.591,902 104.239,903 67.949,904 97.975,905 10.057,906 266.7,908 235.422,909 288.812,910 22,911 31.278,913 235.422,914 22,917 68.627,918 153.165,919 67.02,920 31.278,921 235.422,922 141.704,923 200.385,926 235.422,927 65.555,928 134.83,929 52.685,930 89.019,931 235.422,932 141.704,933 200.385,935 0.583,936 0.348,937 0.195,938 0.107,939 31,940 13,941 0.108,942 7,943 2,944 1.133,945 4.788,946 374.723,947 0.133,948 30,949 186.75,950 1,954 23.646,955 9.959,956 4.823,957 3.657,958 125.041,959 21.882,960 18.424,961 2.916,963 1.68,964 6.678,966 52.685,967 577.511,968 58,980 60.512,981 67.149,983 0.283,984 0.644,985 0.796,986 0.903,987 0.915,988 0.92,989 5.313,990 1.944,991 6.18,992 6.503,993 4.796,994 5.455,995 1.526,996 7.002,997 4.678,998 6.548,999 1.691,1000 7.74,1001 5.93,1002 4.369,1003 5.316,1005 7.867,1006 4.194,1007 7.873,1008 1.567,1009 9.393,1010 4.769,1011 6.405,1012 7.761,1013 1.191,1014 10.969,1015 6.182,1016 9.234,1017 1.532,1018 11.1,1019 4.312,1020 6.792,1021 8.454,1023 12.643,1024 6.501,1025 10.625,1026 1.486,1027 12.842,1028 4.241,1029 8.278,1030 10.346,1031 0.969,1032 15.243,1033 7.952,1034 12.036,1035 1.168,1036 14.607,1037 3.851,1038 9.044,1039 11.441,1041 17.27,1042 8.648,1043 13.464,1044 1,1045 16.39,1046 2.836,1047 10.307,1048 13.101,1049 0.788,1050 19.693,1051 9.875,1052 3.166,1053 0.772,1054 18.186,1055 2.275,1056 11.257,1057 14.399,1059 21.883,1060 10.759,1061 3.059,1062 10.638,1063 19.993,1064 1.8,1065 12.428,1066 15.96,1067 0.634,1068 24.243,1069 11.891,1070 2.764,1071 9.883,1072 21.808,1073 4.546,1074 13.467,1075 17.359,1077 26.509,1078 12.87,1079 2.694,1080 8.741,1081 23.63,1082 4.437,1083 14.604,1084 18.879,1085 0.504,1086 28.85,1087 13.964,1088 2.602,1089 8.255,1090 25.459,1091 3.729,1092 15.686,1093 20.329,1095 31.154,1096 14.992,1097 2.338,1098 7.869,1099 27.293,1100 3.71,1101 16.812,1102 21.833,1103 0.395,1104 33.491,1105 16.074,1106 2.174,1107 7.121,1108 29.132,1109 3.533,1110 17.916,1111 23.308,1113 35.814,1114 17.129,1115 20987,1116 34791,1117 28.838,1118 42.688,1119 63.32,1120 63.795,1121 64.758,1122 62.904,1123 62.986,1124 87.196,1125 5.04,1126 184.616,1127 59.191,1128 5.405,1129 5.304,1130 6.291,1131 5.234,1132 5.166,1133 7.546,1134 1.72,1135 17.672,1136 5.041,1137 14.785,1138 1.508,1139 1.519,1140 1.542,1141 1.498,1142 1.5,1143 2.076,1144 0.12,1145 4.396,1146 1.409,1147 4.114,1148 4.141,1149 4.331,1150 4.081,1151 5.127,1152 4.045,1153 4.045,1154 4.064,1155 4.062,1156 3.967,1157 4.986,1158 3.974,1159 3.905,1160 3.967,1161 3.856,1162 3.786,1163 4.977,1164 3.781,1165 3.842,1166 3.87,1167 3.79,1168 3.715,1169 4.772,1170 3.741,1171 3.518,1172 3.558,1173 3.479,1174 3.31,1175 4.683,1176 3.334,1177 3.306,1178 3.348,1179 3.427,1180 3.246,1181 4.498,1182 3.207,1183 3.251,1184 3.314,1185 3.098,1186 2.982,1187 4.275,1188 2.995,1189 3.165,1190 3.251,1191 3.011,1192 2.916,1193 4.109,1194 2.922,1195 0.11,1196 0.079,1197 0.157,1198 0.098,1199 0.075,1200 4.603,1201 0.108,1202 3.304,1203 0.02,1204 6.609,1205 0.253,1206 4.126,1207 0.072,1208 3.166,1209 4.546,1210 0.86,1211 10.638,1212 3.041,1213 2.008,1214 1.986,1215 2.058,1216 2.131,1217 1.188,1218 2.109,1219 1.899,1220 1.883,1221 1.986,1222 1.978,1223 1.111,1224 1.983,1225 1.89,1226 1.866,1227 1.968,1228 1.951,1229 1.082,1230 1.971,1231 1.601,1232 1.55,1233 1.799,1234 1.788,1235 0.887,1236 1.791,1237 1.442,1238 1.39,1239 1.613,1240 1.734,1241 0.607,1242 1.691,1243 1.302,1244 1.26,1245 1.576,1246 1.57,1247 0.575,1248 1.551,1249 1.229,1250 1.186,1251 1.485,1252 1.524,1253 0.495,1254 1.539,1255 1.193,1256 1.118,1257 1.319,1258 1.387,1259 0.469,1260 1.399,1261 4.443,1263 5.784,1264 3.045,1265 7.314,1266 5.352,1267 8.931,1268 7.391,1269 10.597,1271 5.137,1278 6.609,1279 11.016,1289 40.981,1290 100.338,1291 228.267,1292 282.095,1293 320.149,1294 324.149,1295 326.149,1296 45.867,1297 8.904,1298 109.87,1299 138.11,1300 34,1301 12.976,1302 5.044,1303 4.087,1304 50.949,1305 173,1306 182,1307 0.136,1308 251.103,1309 412.23,1310 604.452,1311 107900,1313 25.355,1314 0.685,1315 0.572,1316 25.708,1317 21.181,1318 18.089,1319 0.431,1320 0.295,1321 11.432,1322 16.9,1323 11.026,1324 9.194,1325 18.497,1326 12.369,1327 16.402,1328 0.273,1329 0.157,1330 17.044,1331 9.401,1332 14.321,1333 0.175,1334 0.084,1335 15.142,1336 6.921,1337 12.428,1338 0.111,1339 0.045,1340 13.326,1341 5.003,1342 10.159,1343 0.071,1344 0.024,1345 10.923,1346 3.397,1347 0.215,1348 117.798,1349 0.186,1350 33.765,1351 0.369,1352 204,1353 593.911,1354 249.924,1355 598.888,1356 845.79,1357 566,1358 244,1359 635.243,1360 288.185,1361 661.897,1362 971.83,1363 621,1364 5.481}
{0 CHEMBL474543,1 1.549,2 11.704,3 6.24,4 38.934,5 110.992,6 9.461,7 0.871,8 3.844,9 3.932,10 3.676,11 3.597,12 4.994,13 3.545,14 4.306,15 4.411,16 4.095,17 3.993,18 5.444,19 3.923,20 4.533,21 4.697,22 4.105,23 4.074,24 5.601,25 3.971,26 4.509,27 4.692,28 3.963,29 3.985,30 5.548,31 3.859,32 4.384,33 4.575,34 3.762,35 3.877,36 5.365,37 3.757,38 4.316,39 4.493,40 3.728,41 3.812,42 5.355,43 3.699,44 4.325,45 4.537,46 3.511,47 3.719,48 5.279,49 3.571,50 4.134,51 4.372,52 3.45,53 3.503,54 5.038,55 3.348,56 0.01,57 0.504,58 4.939,59 2.918,60 4.695,61 3.504,62 0.022,63 0.836,64 9.193,65 4.985,66 8.528,67 5.9,68 0.116,69 1.118,70 18.821,71 7.563,72 19.075,73 8.606,74 0.213,75 1.158,76 22.03,77 8.231,78 23.48,79 8.84,80 0.113,81 0.966,82 17.738,83 7.253,84 15.667,85 8.487,86 0.12,87 0.83,88 13.891,89 6.081,90 16.186,91 8.119,92 0.101,93 0.88,94 17.869,95 7.001,96 20.077,97 8.814,98 0.074,99 0.751,100 14.804,101 6.161,102 15.642,103 7.933,104 2,105 44,106 0.264,107 0.509,108 0.709,109 0.871,110 0.879,111 0.879,112 3.34,113 0.942,114 -5.63,115 -5.5,116 -5.13,118 53.7,138 12,139 2,140 3,141 1,142 2,148 1,156 1,167 9,171 6,175 4,178 14,182 5,186 3,188 10,192 5,195 1,197 3,199 12,211 12,215 2,218 1,220 2,223 17,228 2,235 9,240 3,245 2,247 6,252 1,257 2,260 3,264 1036,265 18.756,266 18.756,267 18.756,268 18.756,269 18.756,270 15.647,271 11.088,272 11.039,273 19.233,274 15.357,275 15.357,276 15.357,277 15.357,278 15.357,279 10.737,280 18.141,281 5.293,282 16.241,283 3.809,284 2.369,285 1.196,286 0.244,287 0.195,288 0.195,289 4.058,290 1,294 1,295 719,296 2.345,299 56.054,300 288.307,303 110.334,304 116.768,307 1.833,308 13.198,311 0.75,312 1,313 1,314 0.4,316 1,317 1,318 0.74,319 55.833,320 316,321 4.525,322 3.166,323 6.526,324 4.044,325 3.076,326 4.462,327 0.4,328 10.292,329 2.989,330 4.506,331 3.06,332 6.372,333 3.978,334 3.051,335 4.437,337 9.883,338 2.822,339 4.073,340 2.848,341 5.908,342 3.629,343 2.654,344 3.706,346 8.26,347 2.58,348 3.767,349 2.641,350 5.481,351 3.354,352 2.412,353 3.209,355 7.285,356 2.268,357 3.585,358 2.393,359 5.147,360 3.113,361 2.19,362 2.995,364 6.276,365 1.986,366 3.262,367 1.925,368 4.783,369 2.749,370 1.817,371 2.6,373 5.179,374 1.65,375 3.032,376 1.558,377 4.414,378 2.508,379 1.538,380 2.298,382 4.312,383 1.489,384 3.023,385 1.532,386 4.3,387 2.465,388 1.532,389 2.272,391 3.954,392 1.419,393 2.971,394 1.521,395 4.149,396 2.449,397 1.492,398 2.192,400 3.687,401 1.392,402 2.653,403 1.196,404 3.591,405 2.119,406 1.179,407 1.724,409 2.838,410 1.093,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,417 2.275,418 1,419 2.394,420 0.986,421 3.403,422 1.901,423 0.937,424 1.348,425 2.213,426 0.894,427 1.847,428 0.391,429 3,430 1.24,431 0.347,432 0.521,433 0.86,434 0.304,435 1.441,436 0.347,437 2.944,438 1.068,439 0.126,440 0.16,441 0.329,442 0.117,443 1.151,444 0.167,445 2.499,446 0.62,447 -0.236,448 -0.311,449 -0.56,450 -0.164,451 13.748,452 0.509,453 0.585,454 0.022,455 41.75,456 1.546,457 24.5,458 0.907,459 17.25,460 0.639,461 18.207,462 0.674,463 25.252,464 0.616,465 27.167,466 1.006,467 8.022,468 0.297,469 5.237,470 0.194,471 0.052,473 0.327,478 0.726,479 0.94,480 0.58,481 0.696,482 0.751,483 0.688,484 0.776,485 1.174,486 0.709,487 0.913,488 0.713,489 0.879,490 1.198,491 1.087,492 1.009,493 0.973,494 1.015,495 0.965,496 1.108,497 1.022,498 1.18,499 1.155,500 0.986,501 1.069,502 0.912,503 0.902,504 0.939,505 0.985,506 0.874,507 0.989,508 0.492,509 0.989,510 0.781,511 1.027,512 0.722,513 1.132,514 0.91,515 1.038,516 0.996,517 1.085,518 1.138,519 1.175,520 0.729,521 0.951,522 0.702,523 0.833,524 0.762,525 0.918,526 5,527 0.106,528 2.889,529 1.542,530 1.516,531 0.726,532 0.274,533 0.341,534 0.209,535 0.118,536 10498,537 29756,538 2.231,539 34.1,541 12,543 1,544 1,549 1.695,550 2.16,551 3.502,552 -0.382,558 63.494,559 1.549,560 2.989,561 4.162,562 5.114,563 5.162,564 5.162,565 2.94,566 4.106,567 4.729,568 3.675,569 1290.09,570 8.174,571 16813.3,576 219.66,577 1.125,578 4.716,579 0.161,580 0.005,581 0.066,582 0.036,583 0.042,584 0.023,585 0.009,586 0.014,587 0.01,588 0.006,589 0.373,590 0.5,591 0.75,592 0.352,593 135.226,594 -0.043,595 -0.011,596 0.029,597 0.05,598 -0.131,599 0.045,600 0.008,601 -0.217,602 0.02,603 -0.091,604 0.006,605 -0.096,606 -0.152,607 -0.06,608 -0.073,609 -0.029,610 -0.068,611 -0.052,612 -0.051,613 0.06,614 -0.158,615 -0.102,616 -0.036,617 -0.101,618 -0.114,619 0.078,620 -0.071,622 -0.054,623 0.011,624 0.242,625 -0.118,626 -0.007,627 -0.165,628 0.105,629 -0.156,630 -0.069,631 -0.105,632 -0.095,633 -0.11,634 -0.189,635 -0.114,636 0.116,637 0.014,638 0.246,639 0.218,640 0.18,641 0.218,642 0.979,643 1.96,644 0.926,645 24.56,646 1,647 1.094,648 4.402,649 19.378,650 0.783,651 3.466,652 3.807,653 4.111,654 4.407,655 4.663,656 4.727,657 4.828,658 4.997,659 5.081,660 5.124,661 6.888,662 0.738,663 387.91,664 3.466,665 5.017,666 5.883,667 6.77,668 7.649,669 8.539,670 9.422,671 10.313,672 11.198,673 12.089,674 7.3,682 1,684 2,689 4,690 13,691 2,694 1,695 5,697 27,709 1,715 1,716 41,718 27,719 3,720 31,722 45,723 22,724 22,725 7,726 11,728 5,729 7,730 1,740 22,760 14,761 3,762 1,763 5,764 2,769 3,775 0.6,787 1,793 1,794 4,797 1,798 1,819 3,821 1,824 1,827 27,834 1,844 1,849 1,858 12.5,859 7.543,860 5.778,861 2.405,863 5.413,864 1.669,865 1.085,866 4.174,867 13.505,868 3.818,869 4.514,870 5.188,871 5.849,872 6.452,873 6.794,874 7.226,875 7.713,876 8.071,877 8.357,878 0.875,879 43,880 9.907,881 4.278,882 7.553,883 19.183,884 16.181,885 2.053,886 55.444,890 153.024,891 174.776,892 51.582,893 39.149,896 31.278,897 143.499,898 192.173,899 51.582,902 113.715,903 46.272,904 46.119,905 0.746,906 172.531,907 39.149,908 153.024,909 195.08,911 70.426,913 153.024,917 32.276,918 129.233,919 72.72,920 31.278,921 153.024,922 51.582,923 213.925,926 153.024,927 52.014,928 122.762,929 18.011,930 72.72,931 153.024,932 51.582,933 213.925,935 0.585,936 0.344,937 0.193,938 0.109,939 24,940 9,941 0.067,942 3,943 2,944 1.16,945 4.064,946 238.855,947 0.16,948 25,949 124.382,950 1,954 16.519,955 6.822,956 3.236,957 4.161,958 51.582,959 26.059,960 9.111,963 1.711,964 4.86,966 18.011,967 418.531,968 44.5,980 41.007,981 44.85,983 0.289,984 0.558,985 0.777,986 0.954,987 0.964,988 0.964,989 5.035,990 1.532,991 5.861,992 4.312,993 4.489,994 5.201,995 0.278,996 6.671,997 4.381,998 6.269,999 1.492,1000 7.412,1001 3.954,1002 4.007,1003 5.007,1005 7.526,1006 3.806,1007 7.588,1008 1.179,1009 9.059,1010 3.687,1011 6.08,1012 7.52,1013 0.05,1014 10.633,1015 5.88,1016 8.946,1017 1,1018 10.765,1019 2.838,1020 6.431,1021 8.183,1023 12.329,1024 6.144,1025 10.334,1026 0.937,1027 12.509,1028 2.275,1029 7.948,1030 10.124,1031 0.008,1032 14.927,1033 7.66,1034 11.746,1035 0.347,1036 14.279,1037 2.213,1038 8.696,1039 11.21,1041 16.972,1042 8.329,1043 13.176,1044 0.126,1045 16.067,1046 0.86,1047 9.977,1048 12.9,1049 0.001,1050 19.389,1051 9.597,1052 3.076,1053 -0.236,1054 17.87,1055 0.329,1056 10.917,1057 14.195,1059 21.583,1060 10.469,1061 3.051,1062 10.292,1063 19.683,1064 -0.56,1065 12.096,1066 15.771,1068 23.933,1069 11.624,1070 2.654,1071 9.883,1072 21.505,1073 4.462,1074 13.127,1075 17.169,1077 26.193,1078 12.596,1079 2.412,1080 8.26,1081 23.334,1082 4.437,1083 14.264,1084 18.695,1086 28.519,1087 13.702,1088 2.19,1089 7.285,1090 25.169,1091 3.706,1092 15.339,1093 20.141,1095 30.808,1096 14.724,1097 1.817,1098 6.276,1099 27.008,1100 3.209,1101 16.46,1102 21.646,1104 33.126,1105 15.809,1106 1.538,1107 5.179,1108 28.85,1109 2.995,1110 17.555,1111 23.116,1113 35.429,1114 16.856,1115 9478,1116 16105,1117 21.671,1118 32.091,1119 46.964,1120 47.179,1121 47.38,1122 46.867,1123 46.699,1124 66.847,1125 0.8,1126 135.288,1127 44.008,1128 5.294,1129 5.166,1130 6.209,1131 5.151,1132 5.076,1133 7.462,1134 0.8,1135 17.175,1136 4.989,1137 7.011,1138 1.515,1139 1.522,1140 1.528,1141 1.512,1142 1.506,1143 2.156,1144 0.026,1145 4.364,1146 1.42,1147 4.106,1148 4.128,1149 4.33,1150 4.083,1151 5.065,1152 4.049,1153 4.042,1154 4.06,1155 4.1,1156 3.996,1157 4.982,1158 3.988,1159 3.841,1160 3.87,1161 3.808,1162 3.787,1163 4.742,1164 3.781,1165 3.47,1166 3.506,1167 3.638,1168 3.389,1169 4.66,1170 3.38,1171 3.294,1172 3.33,1173 3.434,1174 3.262,1175 4.274,1176 3.206,1177 3.047,1178 3.111,1179 3.044,1180 2.897,1181 4.108,1182 2.9,1183 2.884,1184 2.94,1185 2.98,1186 2.794,1187 3.98,1188 2.769,1189 2.854,1190 2.925,1191 2.849,1192 2.735,1193 3.716,1194 2.715,1195 0.146,1196 0.102,1197 0.211,1198 0.13,1199 0.099,1200 4.525,1201 0.144,1202 3.166,1203 0.013,1204 6.526,1205 0.332,1206 4.044,1207 0.096,1208 3.076,1209 4.462,1210 0.4,1211 10.292,1212 2.989,1213 2.036,1214 2.014,1215 2.096,1216 2.123,1217 1.223,1218 2.12,1219 1.899,1220 1.883,1221 1.989,1222 1.976,1223 1.112,1224 1.983,1225 1.891,1226 1.866,1227 1.969,1228 1.948,1229 1.082,1230 1.97,1231 1.453,1232 1.42,1233 1.582,1234 1.569,1235 0.65,1236 1.586,1237 1.249,1238 1.237,1239 1.272,1240 1.364,1241 0.447,1242 1.373,1243 0.996,1244 0.944,1245 1.182,1246 1.185,1247 0.238,1248 1.191,1249 0.917,1250 0.884,1251 1.181,1252 1.062,1253 0.218,1254 1.107,1255 0.886,1256 0.821,1257 1.085,1258 1.01,1259 0.184,1260 1.051,1261 4.143,1263 5.476,1264 2.398,1265 7.009,1266 4.727,1267 8.63,1268 6.843,1269 10.295,1272 6.071,1278 3.472,1289 30.24,1290 63.494,1291 122.534,1292 170.64,1293 209.66,1294 211.66,1295 211.66,1296 29.052,1297 8.092,1298 37.81,1299 66.05,1300 29,1301 12.618,1302 4.807,1303 3.858,1304 36.036,1305 114,1306 97,1307 0.155,1308 189.553,1309 307.9,1310 454.269,1311 41388,1312 2.4,1313 18.217,1314 0.675,1315 0.584,1316 19.071,1317 15.759,1318 13.259,1319 0.428,1320 0.314,1321 8.589,1322 12.316,1323 8.296,1324 6.846,1325 13.956,1326 9.729,1327 12.086,1328 0.275,1329 0.174,1330 13.136,1331 7.676,1332 10.53,1333 0.176,1334 0.096,1335 11.614,1336 5.73,1337 9.111,1338 0.112,1339 0.052,1340 10.244,1341 4.215,1342 7.69,1343 0.073,1344 0.028,1345 8.697,1346 2.976,1347 0.248,1348 88.083,1349 0.215,1350 26.209,1351 0.411,1352 150,1353 382.687,1354 197.527,1355 437.847,1356 610.71,1357 412,1358 179,1359 429.141,1360 218.749,1361 466.471,1362 686.92,1363 442,1364 5.854}
{0 CHEMBL474544,1 1.652,2 11.621,3 6.223,4 38.729,5 117.455,6 9.288,7 0.818,8 3.937,9 4.022,10 3.745,11 3.641,12 5.095,13 3.6,14 4.411,15 4.523,16 4.158,17 4.031,18 5.543,19 3.974,20 4.599,21 4.747,22 4.201,23 4.13,24 5.688,25 4.048,26 4.629,27 4.792,28 4.156,29 4.091,30 5.716,31 3.99,32 4.59,33 4.771,34 3.986,35 4.038,36 5.592,37 3.931,38 4.569,39 4.749,40 3.938,41 3.993,42 5.604,43 3.89,44 4.568,45 4.762,46 3.803,47 3.911,48 5.563,49 3.805,50 4.433,51 4.629,52 3.741,53 3.789,54 5.433,55 3.666,56 0.024,57 0.576,58 5.887,59 3.531,60 5.627,61 4.058,62 0.116,63 0.957,64 12.416,65 6.199,66 13.858,67 6.804,68 0.168,69 1.191,70 19.716,71 8.113,72 19.689,73 8.936,74 0.355,75 1.269,76 23.193,77 9.011,78 27.701,79 9.712,80 0.19,81 1.182,82 21.381,83 8.923,84 20.5,85 10.08,86 0.225,87 1.148,88 22.06,89 8.615,90 23.517,91 10.108,92 0.209,93 1.092,94 22.104,95 8.826,96 26.036,97 10.444,98 0.211,99 0.96,100 17.037,101 7.619,102 23.529,103 9.154,104 6,105 47,106 0.277,107 0.579,108 0.754,109 0.895,110 0.903,111 0.903,112 3.408,113 0.933,114 -5.04,115 -4.94,116 -4.62,118 51.1,123 1,138 11,139 2,140 4,141 1,142 2,148 1,156 1,167 7,171 8,175 4,178 13,182 5,186 2,188 8,191 1,192 7,195 2,197 3,199 12,211 8,215 6,218 1,220 2,223 14,228 4,235 7,239 1,240 5,245 2,247 6,252 1,257 2,260 2,264 1249,265 20.127,266 20.127,267 20.127,268 20.127,269 20.127,270 17.017,271 15.401,272 11.774,273 20.775,274 16.279,275 16.279,276 16.279,277 16.279,278 16.279,279 11.559,280 24.497,281 5.541,282 17.336,283 3.84,284 2.041,285 0.996,286 0.15,287 0.106,288 0.106,289 4.123,290 1,294 1,295 759,296 2.646,299 59.655,300 314.464,303 117.946,304 127.446,307 1.798,308 16.973,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 60.833,320 337,321 4.551,322 3.225,323 6.571,324 4.077,325 3.135,326 4.464,327 0.86,328 10.477,329 2.996,330 4.517,331 3.148,332 6.524,333 4.026,334 3.06,335 4.451,336 0.4,337 10.283,338 2.917,339 4.235,340 2.902,341 6.136,342 3.754,343 2.8,344 3.934,346 9.036,347 2.657,348 3.776,349 2.804,350 5.504,351 3.367,352 2.427,353 3.217,355 7.34,356 2.278,357 3.585,358 2.425,359 5.229,360 3.115,361 2.192,362 2.995,364 6.411,365 1.989,366 3.288,367 2.16,368 4.955,369 2.806,370 1.9,371 2.616,373 5.527,374 1.69,375 3.178,376 1.903,377 4.76,378 2.702,379 1.764,380 2.448,382 5.061,383 1.631,384 3.032,385 1.546,386 4.414,387 2.466,388 1.532,389 2.298,391 4.312,392 1.432,393 2.977,394 1.532,395 4.16,396 2.465,397 1.502,398 2.199,400 3.729,401 1.419,402 2.903,403 1.485,404 4.037,405 2.417,406 1.444,407 2.077,409 3.353,410 1.381,411 2.614,412 1.168,413 3.59,414 2.09,415 1.136,416 1.669,417 2.792,418 1.071,419 2.395,420 0.987,421 3.407,422 1.903,423 0.937,424 1.348,425 2.218,426 0.896,427 1.847,428 0.936,429 3.017,430 1.343,431 0.47,432 0.54,433 0.86,434 0.406,435 1.66,436 0.392,437 3,438 1.239,439 0.347,440 0.521,441 0.763,442 0.304,443 1.422,444 0.347,445 2.868,446 1.062,447 0.123,448 0.155,449 0.318,450 0.114,451 14.581,452 0.503,453 0.636,454 0.022,455 43.75,456 1.509,457 25,458 0.862,459 18.75,460 0.647,461 21.195,462 0.731,463 28.019,464 0.623,465 30.458,466 1.05,467 8.522,468 0.294,469 5.686,470 0.196,471 0.083,473 0.343,478 0.786,479 1.009,480 0.59,481 0.763,482 0.768,483 0.733,484 1.079,485 1.082,486 0.709,487 0.819,488 0.86,489 0.784,490 1.143,491 1.094,492 0.999,493 0.961,494 1.017,495 0.932,496 0.901,497 1.046,498 1.075,499 1.142,500 0.877,501 1.058,502 1.036,503 0.993,504 0.943,505 1.011,506 0.943,507 1.004,508 0.844,509 0.995,510 0.995,511 1.133,512 0.837,513 1.098,514 1.248,515 0.998,516 0.923,517 1.01,518 1.119,519 1.073,520 1.094,521 1.03,522 0.783,523 0.937,524 0.946,525 1.071,526 5.5,527 0.135,528 3.111,529 2.104,530 1.667,531 1.035,532 0.463,533 0.467,534 0.285,535 0.18,536 11820,537 34298,538 2.193,539 35.6,541 14,543 1,544 1,549 1.718,550 2.096,551 3.501,552 -0.371,558 74.337,559 1.652,560 3.451,561 4.496,562 5.342,563 5.386,564 5.386,565 2.962,566 4.418,567 4.831,568 3.664,569 1487.43,570 8.404,571 19993.4,576 247.133,577 1.247,578 4.809,579 0.167,580 0.006,581 0.066,582 0.044,583 0.039,584 0.027,585 0.013,586 0.014,587 0.01,588 0.007,589 0.392,590 0.17,591 0.88,592 0.601,593 147.366,594 -0.042,595 -0.046,596 0.034,597 0.024,598 -0.113,599 0.032,600 -0.097,601 -0.094,602 0.056,603 0.056,604 -0.037,605 0.04,606 -0.149,607 -0.065,608 -0.077,609 -0.031,610 -0.093,611 -0.046,612 0.144,613 0.015,614 -0.096,615 -0.13,616 0.061,617 -0.131,618 -0.119,619 -0.002,620 -0.071,621 -0.027,622 -0.091,623 -0.031,624 0.045,625 -0.023,626 -0.104,627 -0.174,628 0.035,629 -0.122,630 -0.11,631 -0.079,632 -0.07,633 -0.07,634 -0.103,635 -0.062,636 0.015,637 -0.107,638 0.047,639 0.012,640 0.03,641 -0.057,642 0.996,643 2.174,644 0.862,645 26.83,646 1.005,647 1.099,648 3.805,649 14.48,650 0.762,651 3.526,652 3.871,653 4.19,654 4.5,655 4.754,656 4.844,657 4.977,658 5.142,659 5.226,660 5.298,661 6.814,662 0.722,663 417.94,664 3.526,665 5.081,666 5.953,667 6.847,668 7.733,669 8.631,670 9.522,671 10.421,672 11.313,673 12.213,674 6.7,682 1,684 2,689 4,690 12,691 2,694 1,695 6,697 27,709 1,714 1,715 1,716 45,718 27,719 3,720 33,722 49,723 23,724 22,725 8,726 10,728 5,729 7,730 1,740 22,741 1,760 16,761 4,762 1,763 6,764 2,769 3,775 0.6,776 1,787 1,793 1,794 4,797 1,798 1,819 3,821 1,823 1,824 1,827 29,834 1,835 1,844 1,849 1,850 2.2,855 1,858 13.833,859 8.626,860 6.306,861 2.565,863 5.342,864 1.653,865 1.06,866 4.82,867 13.519,868 3.861,869 4.557,870 5.237,871 5.904,872 6.502,873 6.866,874 7.31,875 7.794,876 8.16,877 8.481,878 0.875,879 48,880 10.64,881 4.561,882 7.59,883 20.492,884 17.073,885 2.09,886 60.611,890 176.567,891 181.427,892 51.582,893 39.149,894 11,896 31.278,897 150.149,898 226.715,899 51.582,900 10.883,902 104.239,903 46.272,904 62.362,905 0.746,906 196.073,907 39.149,908 176.567,909 201.731,910 11,911 70.426,913 176.567,914 11,917 32.276,918 135.884,919 72.72,920 31.278,921 176.567,922 62.582,923 220.575,926 176.567,927 57.257,928 124.169,929 18.011,930 83.72,931 176.567,932 62.582,933 220.575,935 0.582,936 0.35,937 0.2,938 0.112,939 25,940 10,941 0.082,942 4,943 2,944 1.16,945 4.127,946 267.323,947 0.16,948 25,949 140.881,950 1,954 18.347,955 7.619,956 3.543,957 4.013,958 62.582,959 23.625,960 9.148,963 1.661,964 5.249,966 18.011,967 459.723,968 46.5,980 45.218,981 49.475,983 0.301,984 0.628,985 0.819,986 0.973,987 0.981,988 0.981,989 5.086,990 1.532,991 5.938,992 5.061,993 4.554,994 5.244,995 1.029,996 6.767,997 4.435,998 6.323,999 1.502,1000 7.502,1001 4.312,1002 4.111,1003 5.094,1005 7.67,1006 3.908,1007 7.648,1008 1.444,1009 9.164,1010 3.729,1011 6.163,1012 7.57,1013 0.763,1014 10.788,1015 5.951,1016 9.012,1017 1.136,1018 10.884,1019 3.353,1020 6.553,1021 8.266,1023 12.525,1024 6.261,1025 10.408,1026 0.937,1027 12.642,1028 2.792,1029 8.055,1030 10.184,1031 0.597,1032 15.141,1033 7.755,1034 11.826,1035 0.47,1036 14.426,1037 2.218,1038 8.836,1039 11.29,1041 17.22,1042 8.465,1043 13.263,1044 0.347,1045 16.228,1046 0.86,1047 10.111,1048 12.967,1049 0.47,1050 19.658,1051 9.723,1052 3.135,1053 0.123,1054 18.045,1055 0.763,1056 11.077,1057 14.273,1059 21.882,1060 10.626,1061 3.06,1062 10.477,1063 19.873,1064 0.318,1065 12.258,1066 15.843,1067 0.367,1068 24.254,1069 11.779,1070 2.8,1071 10.283,1072 21.709,1073 4.464,1074 13.309,1075 17.245,1077 26.538,1078 12.774,1079 2.427,1080 9.036,1081 23.552,1082 4.451,1083 14.453,1084 18.767,1085 0.283,1086 28.886,1087 13.883,1088 2.192,1089 7.34,1090 25.4,1091 3.934,1092 15.543,1093 20.214,1095 31.197,1096 14.921,1097 1.9,1098 6.411,1099 27.253,1100 3.217,1101 16.673,1102 21.716,1103 0.217,1104 33.537,1105 16.012,1106 1.764,1107 5.527,1108 29.109,1109 2.995,1110 17.781,1111 23.185,1113 35.861,1114 17.071,1115 10805,1116 18562,1117 22.77,1118 34.307,1119 49.688,1120 50.309,1121 50.889,1122 49.66,1123 49.539,1124 69.863,1125 2.52,1126 144.963,1127 46.358,1128 5.322,1129 5.225,1130 6.254,1131 5.186,1132 5.135,1133 7.464,1134 1.72,1135 17.489,1136 4.996,1137 10.109,1138 1.506,1139 1.525,1140 1.542,1141 1.505,1142 1.501,1143 2.117,1144 0.076,1145 4.393,1146 1.405,1147 4.108,1148 4.129,1149 4.332,1150 4.083,1151 5.068,1152 4.051,1153 4.042,1154 4.06,1155 4.1,1156 3.996,1157 4.991,1158 3.988,1159 3.852,1160 3.874,1161 3.829,1162 3.788,1163 4.805,1164 3.787,1165 3.473,1166 3.509,1167 3.643,1168 3.389,1169 4.696,1170 3.38,1171 3.294,1172 3.331,1173 3.436,1174 3.263,1175 4.407,1176 3.206,1177 3.255,1178 3.318,1179 3.102,1180 2.976,1181 4.273,1182 2.988,1183 3.037,1184 3.101,1185 3.044,1186 2.887,1187 4.101,1188 2.888,1189 2.884,1190 2.94,1191 2.937,1192 2.794,1193 3.954,1194 2.769,1195 0.138,1196 0.098,1197 0.199,1198 0.124,1199 0.095,1200 4.551,1201 0.135,1202 3.225,1203 0.026,1204 6.571,1205 0.317,1206 4.077,1207 0.091,1208 3.135,1209 4.464,1210 0.86,1211 10.477,1212 2.996,1213 2.036,1214 2.014,1215 2.094,1216 2.124,1217 1.224,1218 2.12,1219 1.899,1220 1.884,1221 1.983,1222 1.98,1223 1.113,1224 1.982,1225 1.886,1226 1.867,1227 1.954,1228 1.952,1229 1.083,1230 1.967,1231 1.453,1232 1.42,1233 1.589,1234 1.579,1235 0.65,1236 1.591,1237 1.249,1238 1.237,1239 1.563,1240 1.507,1241 0.573,1242 1.527,1243 1.196,1244 1.124,1245 1.269,1246 1.361,1247 0.447,1248 1.371,1249 0.993,1250 0.94,1251 1.182,1252 1.179,1253 0.238,1254 1.187,1255 0.917,1256 0.884,1257 1.112,1258 1.019,1259 0.186,1260 1.055,1261 4.205,1263 5.541,1264 2.398,1265 7.081,1266 4.727,1267 8.713,1268 6.843,1269 10.39,1271 1.68,1272 6.094,1278 3.466,1279 5.674,1289 32.481,1290 74.337,1291 155.305,1292 202.325,1293 240.379,1294 242.379,1295 242.379,1296 34.146,1297 8.177,1298 47.04,1299 75.28,1300 29,1301 12.737,1302 4.807,1303 3.858,1304 39.712,1305 121,1306 111,1307 0.162,1308 203.141,1309 333.99,1310 487.425,1311 44330,1312 2.2,1313 19.794,1314 0.683,1315 0.589,1316 20.648,1317 17.09,1318 14.208,1319 0.431,1320 0.311,1321 9.076,1322 13.111,1323 8.739,1324 7.232,1325 14.905,1326 10.259,1327 12.816,1328 0.273,1329 0.171,1330 13.867,1331 8.014,1332 11.252,1333 0.173,1334 0.093,1335 12.32,1336 6.014,1337 9.869,1338 0.111,1339 0.05,1340 11.03,1341 4.481,1342 8.284,1343 0.072,1344 0.028,1345 9.343,1346 3.173,1347 0.255,1348 94.891,1349 0.21,1350 27.55,1351 0.441,1352 160,1353 438.422,1354 210.405,1355 484.084,1356 671.68,1357 456,1358 192,1359 470.686,1360 234.739,1361 508.002,1362 748.17,1363 479,1364 5}
{0 CHEMBL475251,1 1.811,2 13.294,3 3.881,4 15.065,5 120.223,6 8.255,7 0.486,8 4.181,9 4.287,10 3.819,11 3.59,12 5.41,13 3.639,14 4.696,15 4.852,16 4.212,17 3.93,18 5.928,19 3.987,20 4.871,21 5.003,22 4.354,23 4.072,24 6.256,25 4.124,26 4.965,27 5.15,28 4.237,29 4.11,30 6.19,31 4.106,32 4.971,33 5.17,34 4.157,35 4.096,36 6.144,37 4.074,38 4.931,39 5.145,40 4.061,41 4.021,42 6.123,43 3.982,44 4.857,45 5.115,46 4.009,47 3.875,48 5.993,49 3.849,50 4.682,51 4.9,52 3.99,53 3.738,54 5.985,55 3.776,56 0.241,57 0.916,58 9.999,59 4.578,60 11.947,61 5.41,62 0.752,63 1.357,64 21.622,65 7.518,66 50.92,67 8.972,68 1.2,69 1.653,70 24.404,71 7.729,72 79.055,73 9.366,74 1.098,75 1.661,76 29.552,77 9.584,78 85.717,79 12.264,80 1.125,81 1.673,82 30.993,83 9.389,84 71.271,85 12.534,86 1.08,87 1.631,88 30.075,89 9.243,90 75.683,91 12.335,92 0.918,93 1.487,94 31.121,95 8.513,96 74.725,97 12.79,98 0.995,99 1.342,100 24.284,101 6.132,102 80.035,103 8.003,104 59,105 54,106 0.295,107 0.608,108 0.739,109 0.778,110 0.791,111 0.815,112 3.56,113 0.82,114 -3.27,115 -3.26,116 -3.12,118 38.6,119 2,123 3,128 1,138 4,140 6,141 1,143 3,146 1,153 1,167 1,170 1,171 6,173 6,175 3,178 2,181 4,182 6,184 1,186 4,191 3,192 7,195 3,196 2,197 1,199 2,204 4,206 2,211 2,214 5,215 2,218 3,220 3,227 3,228 1,233 3,239 1,240 2,243 3,244 1,247 2,251 1,252 2,255 2,260 2,264 2092,265 22.632,266 22.632,267 22.632,268 22.632,269 22.632,270 20.291,271 39.73,272 12.811,273 23.637,274 18.052,275 18.052,276 18.052,277 18.052,278 18.052,279 14.241,280 67.244,281 5.824,282 19.48,283 4.022,284 2.105,285 1.304,286 1.067,287 0.983,288 0.838,289 4.251,293 1,294 1,295 963,296 3.674,300 424.732,304 161.402,307 2.118,308 47.252,311 0.75,312 0.67,313 0.83,314 0.9,316 0.83,317 1,318 0.71,319 77.5,320 452,321 4.54,322 4.104,323 7.282,324 4.367,325 3.413,326 4.111,327 2.03,328 12.355,329 3.249,330 4.426,331 3.375,332 6.524,333 4.012,334 3.069,335 3.999,336 0.892,337 10.264,338 2.887,339 4.272,340 3.208,341 6.161,342 3.848,343 2.921,344 3.877,345 0.86,346 9.146,347 2.705,348 4.099,349 3.007,350 6.078,351 3.689,352 2.747,353 3.463,354 0.86,355 8.822,356 2.574,357 3.694,358 2.778,359 5.5,360 3.339,361 2.412,362 3.02,363 0.86,364 7.382,365 2.231,366 3.475,367 2.691,368 5.217,369 3.078,370 2.14,371 2.782,372 0.4,373 6.48,374 2.001,375 3.355,376 2.555,377 5.19,378 2.972,379 2.061,380 2.604,381 0.4,382 6.118,383 1.867,384 3.298,385 2.402,386 4.959,387 2.84,388 1.912,389 2.593,390 0.141,391 5.726,392 1.764,393 3.103,394 2.154,395 4.898,396 2.765,397 1.818,398 2.208,400 5.276,401 1.704,402 2.825,403 1.907,404 4.173,405 2.331,406 1.416,407 1.955,409 3.756,410 1.289,411 2.649,412 1.693,413 4.028,414 2.165,415 1.171,416 1.625,417 3.088,418 1.151,419 2.201,420 1.631,421 3.78,422 1.967,423 1.145,424 1.187,425 2.397,426 0.937,427 1.688,428 1.025,429 3.18,430 1.332,431 0.433,432 0.516,433 1.046,434 0.382,435 1.576,436 0.916,437 3.021,438 1.27,439 0.396,440 0.452,441 0.651,442 0.342,443 1.525,444 0.79,445 2.971,446 1.217,447 0.352,448 0.386,449 0.603,450 0.301,451 15.352,452 0.452,453 1.025,454 0.03,455 47,456 1.382,457 23,458 0.676,459 24,460 0.706,461 28.102,462 0.827,463 38.048,464 0.668,465 40.445,466 1.19,467 9.545,468 0.281,469 6.688,470 0.197,471 0.203,472 0.033,473 0.358,477 1,478 0.854,479 1.402,480 0.693,481 1.268,482 0.651,483 0.986,484 1.044,485 0.938,486 0.665,487 0.846,488 0.692,489 0.688,490 1.099,491 1.139,492 0.993,493 1.062,494 1.002,495 1.006,496 0.962,497 0.996,498 1.021,499 1.05,500 1.094,501 1.054,502 1.027,503 0.99,504 1.075,505 1,506 0.725,507 1.049,508 0.941,509 1.075,510 1.121,511 1.068,512 0.993,513 1.136,514 0.72,515 1.088,516 0.69,517 0.892,518 0.849,519 0.796,520 1.182,521 1.059,522 0.967,523 0.742,524 1.328,525 0.739,526 9.5,527 0.26,528 4.444,529 2.938,530 2.747,531 1.215,532 0.847,533 0.582,534 0.476,535 0.451,536 16879,537 54611,538 2.018,539 40.4,541 13,543 1,544 3,546 6,549 1.758,550 1.846,551 3.693,552 0.928,554 1,558 103.206,559 1.811,560 3.728,561 4.529,562 4.766,563 4.85,564 4.995,565 3.125,566 4.572,567 5.062,568 3.885,569 2179.36,570 8.865,571 33835.9,576 332.475,577 1.667,578 4.989,579 0.257,580 0.008,581 0.082,582 0.05,583 0.053,584 0.025,585 0.02,586 0.014,587 0.012,588 0.012,589 0.533,590 0.33,591 0.75,592 0.928,593 183.474,594 -0.111,595 -0.275,596 0.046,597 -0.179,598 -0.097,599 -0.04,600 -0.053,601 0.056,602 0.236,603 0.155,604 0.032,605 0.25,606 0.032,607 -0.029,608 -0.108,609 -0.084,610 0.026,611 -0.133,612 -0.034,613 -0.021,614 -0.093,615 -0.074,616 -0.096,617 -0.102,618 -0.106,619 -0.045,620 -0.126,621 -0.025,622 -0.017,623 -0.079,624 -0.034,625 -0.044,626 -0.157,627 -0.103,628 -0.078,629 -0.165,630 0.111,631 -0.13,632 0.349,633 0.066,634 0.097,635 0.24,636 -0.051,637 0.153,638 0.052,639 0.164,640 -0.06,641 0.165,642 2.364,643 6.439,644 0.647,645 36.18,646 1.03,647 1.142,648 2.038,649 4.155,650 0.651,651 3.638,652 4.007,653 4.277,654 4.522,655 4.787,656 4.828,657 4.942,658 5.069,659 5.198,660 5.273,661 7.926,662 0.646,663 470.51,664 3.638,665 5.209,666 6.071,667 6.969,668 7.847,669 8.743,670 9.626,671 10.521,672 11.406,673 12.301,674 10.5,681 1,682 2,684 3,690 5,691 3,695 10,697 18,709 2,714 4,715 1,716 57,718 19,719 1,720 37,722 60,723 22,724 15,725 4,726 2,728 4,729 5,732 2,736 1,740 16,741 6,742 1,744 1,749 1,753 1,757 1,758 1,760 23,761 12,762 3,763 12,769 6,775 0.75,776 5,787 1,788 1,794 4,798 1,807 1,819 3,823 5,825 1,827 34,834 3,835 4,839 1,849 1,850 8.8,853 1,855 4,858 18.417,859 11.993,860 7.486,861 2.984,863 3.524,864 1.431,865 0.952,866 6.748,867 11.706,868 3.871,869 4.494,870 5.042,871 5.575,872 6.132,873 6.338,874 6.661,875 7.076,876 7.442,877 7.783,878 0.889,879 59,880 12.559,881 5.385,882 8.002,883 22.985,884 18.11,885 2.502,886 85.083,890 235.422,891 143.691,892 104.389,894 69.144,895 14.96,897 143.691,898 304.567,899 119.349,900 50.3,901 18.011,902 37.905,903 91.977,904 121.92,905 23.843,906 223.651,908 235.422,909 248.08,910 84.105,913 179.756,914 139.771,917 82.629,918 115.094,919 50.357,921 250.382,922 173.533,923 143.691,926 235.422,927 46.439,928 97.252,929 54.032,930 134.461,931 235.422,932 188.493,933 143.691,935 0.591,936 0.358,937 0.188,938 0.106,939 26,940 13,941 0.117,942 7,943 1,944 1.091,945 4.336,946 319.203,947 0.091,948 22,949 162.974,954 23.946,955 9.581,956 5.018,958 188.493,959 7.55,960 12.446,964 1.969,966 54.032,967 567.606,968 47,973 12.141,977 -0.338,980 58.712,981 65.113,983 0.31,984 0.639,985 0.777,986 0.817,987 0.831,988 0.856,989 5.145,990 1.912,991 6.107,992 6.118,993 4.691,994 5.182,995 2.693,996 6.974,997 4.549,998 6.383,999 1.818,1000 7.714,1001 5.726,1002 4.511,1003 5.147,1004 1.593,1005 8.127,1006 4.326,1007 7.723,1008 1.416,1009 9.424,1010 5.276,1011 6.392,1012 7.39,1013 3.387,1014 11.154,1015 6.13,1016 9.094,1017 1.171,1018 11.194,1019 3.756,1020 6.976,1021 8.073,1022 3.201,1023 13.092,1024 6.67,1025 10.492,1026 1.145,1027 13.005,1028 3.088,1029 8.392,1030 9.856,1031 4.521,1032 15.716,1033 8.024,1034 11.908,1035 0.433,1036 14.844,1037 2.397,1038 9.311,1039 10.87,1040 4.75,1041 17.977,1042 8.897,1043 13.337,1044 0.396,1045 16.704,1046 1.046,1047 10.566,1048 12.46,1049 5.819,1050 20.489,1051 10.098,1052 3.413,1053 0.352,1054 18.583,1055 0.651,1056 11.635,1057 13.643,1058 6.248,1059 22.885,1060 11.12,1061 3.069,1062 12.355,1063 20.477,1064 0.603,1065 12.837,1066 15.139,1067 7.175,1068 25.374,1069 12.273,1070 2.921,1071 10.264,1072 22.383,1073 4.111,1074 13.973,1075 16.415,1076 7.714,1077 27.828,1078 13.362,1079 2.747,1080 9.146,1081 24.299,1082 3.999,1083 15.163,1084 17.862,1085 8.557,1086 30.317,1087 14.505,1088 2.412,1089 8.822,1090 26.225,1091 3.877,1092 16.332,1093 19.188,1094 9.16,1095 32.797,1096 15.627,1097 2.14,1098 7.382,1099 28.158,1100 3.463,1101 17.523,1102 20.61,1103 9.952,1104 35.293,1105 16.772,1106 2.061,1107 6.48,1108 30.098,1109 3.02,1110 18.709,1111 21.965,1112 10.594,1113 37.787,1114 17.912,1115 16292,1116 29510,1117 23.868,1118 37.097,1119 55.607,1120 57.918,1121 58.353,1122 55.078,1123 55.24,1124 70.054,1125 12.887,1126 166.968,1127 51.143,1128 5.484,1129 6.104,1130 6.824,1131 5.479,1132 5.413,1133 7.111,1134 3.634,1135 19.836,1136 5.249,1137 21.237,1138 1.503,1139 1.565,1140 1.577,1141 1.489,1142 1.493,1143 1.893,1144 0.348,1145 4.513,1146 1.382,1147 4.006,1148 4.042,1149 3.975,1150 3.856,1151 8.201,1152 3.879,1153 3.93,1154 3.95,1155 3.896,1156 3.796,1157 7.428,1158 3.817,1159 3.807,1160 3.843,1161 3.784,1162 3.619,1163 5.034,1164 3.655,1165 3.614,1166 3.659,1167 3.535,1168 3.472,1169 4.951,1170 3.478,1171 3.303,1172 3.355,1173 3.182,1174 3.027,1175 4.876,1176 3.054,1177 3.29,1178 3.35,1179 3.144,1180 3.006,1181 4.58,1182 3.026,1183 3.203,1184 3.282,1185 2.993,1186 2.897,1187 4.469,1188 2.901,1189 3.131,1190 3.211,1191 2.979,1192 2.874,1193 4.453,1194 2.888,1195 0.123,1196 0.111,1197 0.197,1198 0.118,1199 0.092,1200 4.54,1201 0.111,1202 4.104,1203 0.055,1204 7.282,1205 0.334,1206 4.367,1207 0.088,1208 3.413,1209 4.111,1210 2.03,1211 12.355,1212 3.249,1213 1.888,1214 1.867,1215 1.968,1216 2.068,1217 1.087,1218 2.036,1219 1.864,1220 1.84,1221 1.947,1222 2.02,1223 1.068,1224 1.994,1225 1.706,1226 1.666,1227 1.823,1228 1.911,1229 0.915,1230 1.877,1231 1.581,1232 1.537,1233 1.723,1234 1.753,1235 0.723,1236 1.757,1237 1.227,1238 1.163,1239 1.59,1240 1.558,1241 0.584,1242 1.565,1243 1.213,1244 1.149,1245 1.572,1246 1.523,1247 0.574,1248 1.536,1249 1.159,1250 1.071,1251 1.541,1252 1.479,1253 0.562,1254 1.498,1255 1.048,1256 0.975,1257 1.417,1258 1.36,1259 0.469,1260 1.341,1261 4.317,1263 5.673,1265 7.228,1267 8.873,1269 10.565,1271 7.795,1273 14.439,1278 8.453,1279 21.647,1283 -1.018,1289 36.827,1290 103.206,1291 212.487,1292 258.171,1293 271.681,1294 276.436,1295 284.7,1296 73.233,1297 8.182,1298 128.75,1299 128.75,1300 24,1301 12.828,1302 4.322,1303 3.459,1304 57.072,1305 163,1306 140,1307 0.169,1308 224.9,1309 396.64,1310 540.515,1311 44884,1312 1.8,1313 24.457,1314 0.719,1315 0.563,1316 23.587,1317 19.148,1318 16.233,1319 0.439,1320 0.273,1321 9.83,1322 15.114,1323 9.49,1324 7.936,1325 15.822,1326 10.119,1327 15.163,1328 0.281,1329 0.142,1330 14.645,1331 7.664,1332 12.804,1333 0.18,1334 0.069,1335 12.255,1336 4.914,1337 10.285,1338 0.113,1339 0.035,1340 10.104,1341 3.186,1342 8.819,1343 0.074,1344 0.018,1345 8.437,1346 2.171,1347 0.27,1348 105.445,1349 0.205,1350 31.555,1351 0.452,1352 182,1353 708.723,1354 213.875,1355 634.645,1356 856.84,1357 594,1358 216,1359 630.738,1360 249.215,1361 626.056,1362 917.24,1363 582,1364 6.222}
{0 CHEMBL475817,1 2.021,2 12.484,3 4.312,4 18.597,5 111.008,6 10.665,7 0.545,8 3.922,9 4.016,10 3.753,11 3.499,12 5.274,13 3.527,14 4.406,15 4.511,16 4.23,17 3.868,18 6.217,19 3.888,20 4.624,21 4.758,22 4.306,23 3.984,24 6.119,25 3.986,26 4.708,27 4.878,28 4.227,29 3.871,30 6.244,31 3.889,32 4.556,33 4.713,34 4.096,35 3.763,36 6.102,37 3.791,38 4.48,39 4.612,40 4.147,41 3.775,42 6.296,43 3.784,44 4.461,45 4.623,46 4.1,47 3.804,48 6,49 3.77,50 4.395,51 4.541,52 4.149,53 3.743,54 5.89,55 3.72,56 0.322,57 0.846,58 2.957,59 3.411,60 49.266,61 2.936,62 0.983,63 1.634,64 6.549,65 6.034,66 155.096,67 5.487,68 0.857,69 1.417,70 13.583,71 7.64,72 103.962,73 7.142,74 1.309,75 1.457,76 24.864,77 8.786,78 183.114,79 7.831,80 1.096,81 1.276,82 20.059,83 7.647,84 164.588,85 7.1,86 1.223,87 1.179,88 13.372,89 6.449,90 187.85,91 5.316,92 0.925,93 1.095,94 18.144,95 7.379,96 140.857,97 7.938,98 0.755,99 1.114,100 16,101 6.752,102 96.59,103 6.543,104 66,105 48,106 0.346,107 0.627,108 0.777,109 0.894,110 0.91,111 0.91,112 3.471,113 0.846,114 -4.67,115 -4.59,116 -4.32,118 45.5,130 1,138 8,139 3,140 4,141 1,143 1,153 2,158 1,159 1,160 1,167 8,171 2,172 1,173 3,175 5,178 11,182 5,184 1,186 7,188 7,190 2,192 7,197 5,199 3,203 1,204 5,206 1,207 2,208 3,210 1,211 7,215 2,223 11,227 1,228 4,230 1,231 2,233 3,235 9,237 1,240 3,243 1,245 3,247 6,249 1,252 3,257 5,260 4,262 2,264 1656,265 19.781,266 19.781,267 19.781,268 19.781,269 19.781,270 17.307,271 24.192,272 11.275,273 20.402,274 16.231,275 16.231,276 16.231,277 16.231,278 16.231,279 12.453,280 29.624,281 5.343,282 17.412,283 3.439,284 1.802,285 0.926,286 0.244,287 0.154,288 0.154,289 4.144,290 2,293 1,294 1,295 807,296 4.243,300 342.218,307 2.081,308 63.25,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 71.167,320 387,321 4.471,322 4.461,323 7.118,324 4.191,325 3.324,326 4.02,327 3.825,328 11.699,329 2.974,330 4.377,331 3.632,332 6.425,333 3.994,334 3.024,335 3.923,336 1.058,337 9.824,338 2.908,339 4.207,340 3.565,341 6.048,342 3.769,343 2.824,344 3.862,345 1.058,346 8.685,347 2.656,348 4.062,349 3.153,350 5.951,351 3.716,352 2.758,353 3.35,355 8.327,356 2.559,357 3.676,358 2.933,359 5.344,360 3.295,361 2.334,362 3.009,364 6.857,365 2.228,366 3.483,367 2.428,368 5.212,369 3.083,370 2.15,371 2.791,373 6.429,374 1.981,375 3.226,376 2.335,377 4.754,378 2.767,379 1.808,380 2.432,382 4.948,383 1.686,384 3.141,385 2.289,386 4.651,387 2.674,388 1.734,389 2.323,391 4.829,392 1.552,393 2.82,394 1.808,395 4.043,396 2.282,397 1.414,398 1.948,400 3.525,401 1.171,402 2.611,403 1.606,404 3.985,405 2.138,406 1.168,407 1.628,409 3.104,410 1.109,411 2.544,412 1.398,413 3.798,414 2.04,415 1.033,416 1.505,417 2.708,418 1.034,419 2.537,420 1.15,421 3.471,422 2.034,423 1.029,424 1.505,425 2.442,426 1.027,427 1.531,428 0.833,429 2.897,430 1.148,431 0.261,432 0.315,433 0.588,434 0.213,435 1.453,436 0.68,437 2.817,438 1.014,439 0.116,440 0.144,441 0.268,442 0.089,443 0.96,444 0.51,445 2.706,446 0.537,447 -0.344,448 -0.416,449 -0.892,450 -0.262,451 14.552,452 0.469,453 1.131,454 0.036,455 42.5,456 1.371,457 22.5,458 0.726,459 20,460 0.645,461 23.644,462 0.763,463 33.448,464 0.76,465 37.745,466 1.218,467 8.757,468 0.282,469 5.784,470 0.187,471 0.23,472 0.034,473 0.344,476 3,478 0.651,479 0.908,480 0.515,481 0.743,482 0.652,483 0.698,484 0.456,485 0.8,486 0.568,487 0.858,488 0.446,489 0.89,490 0.782,491 0.973,492 0.924,493 1.122,494 0.701,495 1.119,496 1.189,497 1.009,498 1.146,499 1.087,500 1.173,501 1.073,502 1.115,503 0.894,504 0.963,505 0.933,506 1.212,507 0.922,508 0.86,509 0.663,510 0.944,511 0.781,512 0.917,513 0.937,514 0.644,515 0.772,516 0.942,517 0.942,518 0.616,519 0.982,520 0.838,521 1.011,522 0.887,523 1.045,524 0.774,525 1.079,526 9,527 0.289,528 4.444,529 2.5,530 2.067,531 1.285,532 0.692,533 0.613,534 0.423,535 0.34,536 12711,537 58610,538 1.949,539 29.5,541 8,543 1,544 4,549 1.736,550 1.763,551 3.61,552 1.696,554 1,558 88.916,559 2.021,560 3.658,561 4.533,562 5.215,563 5.306,564 5.306,565 3.099,566 4.607,567 4.927,568 3.803,569 1768.24,570 8.6,571 25783.2,576 240.215,577 1.721,578 4.839,579 0.273,580 0.011,581 0.093,582 0.051,583 0.048,584 0.031,585 0.017,586 0.016,587 0.012,588 0.011,589 0.563,591 0.88,592 0.824,593 162.628,594 -0.09,595 -0.006,596 -0.022,597 0.08,598 -0.123,599 0.084,600 0.348,601 0.246,602 0.061,603 0.03,604 0.341,605 -0.067,606 -0.076,607 -0.181,608 -0.067,609 -0.214,610 -0.026,611 -0.191,612 -0.206,613 -0.109,614 -0.127,615 -0.11,616 -0.175,617 -0.063,618 -0.144,619 -0.038,620 -0.054,621 0.029,622 -0.174,623 0.075,624 0.127,625 0.275,626 -0.085,627 0.155,628 0.118,629 -0.041,630 0.116,632 0.091,633 0.053,634 0.11,635 0.092,636 -0.054,637 -0.209,638 0.145,639 -0.064,640 -0.025,641 -0.063,642 5.832,643 5.559,644 0.581,645 32.046,646 1.055,647 1.141,648 3.444,649 11.859,650 0.722,651 3.526,652 3.892,653 4.078,654 4.248,655 4.466,656 4.454,657 4.522,658 4.543,659 4.585,660 4.682,661 7.488,662 0.727,663 469.27,664 3.526,665 5.094,666 5.927,667 6.808,668 7.659,669 8.536,670 9.393,671 10.267,672 11.127,673 12.001,674 9.1,678 1,681 2,684 1,690 9,691 1,695 8,697 18,704 2,708 1,715 2,716 44,718 20,719 2,720 33,722 46,723 20,724 17,725 5,726 7,727 2,728 3,729 3,730 2,732 1,737 1,740 19,741 1,744 2,749 2,753 2,757 1,758 3,760 13,761 9,762 4,763 11,764 2,769 4,775 1,776 2,787 1,794 3,819 3,824 2,825 3,827 31,828 1,834 2,839 1,849 5,850 4.5,853 2,858 17.583,859 7.831,860 6.611,861 2.274,863 3.183,864 1.43,865 0.994,866 6.75,867 10.577,868 3.807,869 4.425,870 4.94,871 5.442,872 5.958,873 6.04,874 6.301,875 6.458,876 6.74,877 7.114,878 1,879 49,880 11.969,881 5.735,882 8.537,883 20.15,884 16.118,885 3.037,886 94.139,890 105.94,891 126.426,892 85.704,893 78.297,894 50.29,895 44.88,897 126.426,898 234.527,899 130.585,901 36.022,902 108.707,903 88.256,904 75.999,905 2.328,906 94.169,907 86.057,908 105.94,909 212.13,910 95.17,911 78.297,913 105.94,914 95.17,917 52.828,918 142.516,919 95.083,921 150.82,922 135.994,923 204.723,926 113.699,927 33.809,928 84.857,929 36.022,930 223.15,931 105.94,932 180.874,933 204.723,935 0.602,936 0.338,937 0.16,938 0.089,939 22,940 12,941 0.087,942 4,944 1,945 4.083,946 269.463,948 18,949 148.825,954 22.883,955 9.144,956 5.672,958 180.874,959 10.724,960 3.824,964 -0.391,966 68.919,967 491.537,968 44,973 24.932,977 -1.405,980 46.433,981 50.226,983 0.37,984 0.67,985 0.83,986 0.955,987 0.972,988 0.972,989 5.066,990 1.734,991 5.974,992 4.948,993 4.575,994 5.112,995 3.232,996 6.81,997 4.444,998 6.315,999 1.414,1000 7.57,1001 4.829,1002 4.443,1003 5.056,1004 3.903,1005 7.934,1006 4.148,1007 7.647,1008 1.168,1009 9.271,1010 3.525,1011 6.256,1012 7.304,1013 5.442,1014 10.916,1015 5.997,1016 9.01,1017 1.033,1018 11.032,1019 3.104,1020 6.858,1021 7.948,1022 6.69,1023 12.81,1024 6.427,1025 10.398,1026 1.029,1027 12.832,1028 2.708,1029 8.239,1030 9.75,1031 8.06,1032 15.394,1033 7.819,1034 11.803,1035 0.261,1036 14.659,1037 2.442,1038 9.151,1039 10.722,1040 9.388,1041 17.6,1042 8.577,1043 13.222,1044 0.116,1045 16.507,1046 0.588,1047 10.381,1048 12.326,1049 10.734,1050 20.066,1051 9.78,1052 3.324,1053 -0.344,1054 18.372,1055 0.268,1056 11.43,1057 13.47,1058 12.074,1059 22.405,1060 10.695,1061 3.024,1062 11.699,1063 20.249,1064 -0.892,1065 12.609,1066 14.972,1067 13.417,1068 24.842,1069 11.816,1070 2.824,1071 9.824,1072 22.138,1073 4.02,1074 13.719,1075 16.212,1076 14.758,1077 27.24,1078 12.807,1079 2.758,1080 8.685,1081 24.036,1082 3.923,1083 14.884,1084 17.658,1085 16.1,1086 29.675,1087 13.894,1088 2.334,1089 8.327,1090 25.942,1091 3.862,1092 16.026,1093 18.954,1094 17.441,1095 32.1,1096 14.923,1097 2.15,1098 6.857,1099 27.855,1100 3.35,1101 17.191,1102 20.368,1103 18.783,1104 34.54,1105 15.997,1106 1.808,1107 6.429,1108 29.774,1109 3.009,1110 18.349,1111 21.696,1112 20.124,1113 36.978,1114 17.046,1115 12548,1116 27102,1117 20.69,1118 31.79,1119 50.944,1120 51.911,1121 51.783,1122 50.323,1123 49.957,1124 65.51,1125 11.884,1126 148.465,1127 46.374,1128 5.325,1129 6.461,1130 6.66,1131 5.232,1132 5.324,1133 7.02,1134 5.335,1135 18.726,1136 4.974,1137 21.001,1138 1.544,1139 1.573,1140 1.569,1141 1.525,1142 1.514,1143 1.985,1144 0.36,1145 4.499,1146 1.405,1147 4.005,1148 4.029,1149 4.061,1150 3.921,1151 8.513,1152 3.925,1153 3.918,1154 3.944,1155 3.979,1156 3.842,1157 7.999,1158 3.843,1159 3.851,1160 3.881,1161 3.907,1162 3.755,1163 7.999,1164 3.761,1165 3.441,1166 3.47,1167 3.488,1168 3.19,1169 7.431,1170 3.237,1171 3.322,1172 3.367,1173 3.421,1174 3.077,1175 7.427,1176 3.116,1177 3.191,1178 3.239,1179 3.31,1180 2.942,1181 5.212,1182 2.974,1183 2.984,1184 3.062,1185 3.169,1186 2.799,1187 4.911,1188 2.801,1189 2.858,1190 2.899,1191 3.047,1192 2.762,1193 4.699,1194 2.747,1195 0.135,1196 0.135,1197 0.216,1198 0.127,1199 0.101,1200 4.471,1201 0.122,1202 4.461,1203 0.116,1204 7.118,1205 0.355,1206 4.191,1207 0.09,1208 3.324,1209 4.02,1210 3.825,1211 11.699,1212 2.974,1213 1.94,1214 1.92,1215 2.019,1216 2.044,1217 1.125,1218 2.036,1219 1.887,1220 1.868,1221 1.959,1222 1.992,1223 1.08,1224 1.983,1225 1.802,1226 1.771,1227 1.865,1228 1.923,1229 0.929,1230 1.919,1231 1.275,1232 1.25,1233 1.364,1234 1.561,1235 0.357,1236 1.498,1237 1.172,1238 1.139,1239 1.304,1240 1.465,1241 0.287,1242 1.409,1243 1.046,1244 1.002,1245 1.204,1246 1.345,1247 0.254,1248 1.292,1249 0.921,1250 0.857,1251 1.182,1252 1.214,1253 0.142,1254 1.207,1255 0.836,1256 0.795,1257 1.043,1258 1.001,1259 0.083,1260 1.029,1261 4.205,1263 5.557,1265 7.086,1267 8.691,1269 10.333,1272 11.95,1273 38.58,1275 5.523,1278 4.985,1283 -4.582,1289 32.008,1290 88.916,1291 160.931,1292 199.46,1293 229.46,1294 233.46,1295 233.46,1296 100.205,1297 7.394,1298 97.11,1299 97.11,1300 18,1301 12.544,1302 4.392,1303 3.585,1304 58.326,1305 140,1306 133,1307 0.202,1308 203.666,1309 365.95,1310 488.704,1311 16931,1312 11.4,1313 22.759,1314 0.734,1315 0.546,1316 21.259,1317 16.939,1318 14.541,1319 0.441,1320 0.282,1321 8.446,1322 13.3,1323 8.279,1324 6.793,1325 13.907,1326 9.305,1327 14.369,1328 0.299,1329 0.148,1330 13.153,1331 7.087,1332 10.959,1333 0.189,1334 0.081,1335 10.757,1336 4.681,1337 8.278,1338 0.12,1339 0.042,1340 8.31,1341 2.902,1342 6.678,1343 0.078,1344 0.022,1345 6.56,1346 1.893,1347 0.322,1348 98.559,1349 0.22,1350 29.328,1351 0.541,1352 162,1353 743.834,1354 221.395,1355 698.844,1356 884.04,1357 640,1358 187,1359 566.815,1360 232.389,1361 575.437,1362 856.6,1363 538,1364 6.173}
{0 CHEMBL477772,1 1.719,2 11.968,3 3.864,4 14.932,5 122.737,6 8.103,7 0.647,8 4.104,9 4.224,10 3.876,11 3.648,12 5.22,13 3.62,14 4.618,15 4.794,16 4.174,17 4.016,18 5.962,19 3.99,20 4.786,21 4.955,22 4.224,23 4.173,24 5.958,25 4.124,26 4.937,27 5.132,28 4.161,29 4.214,30 6.076,31 4.121,32 5.003,33 5.255,34 4.006,35 4.116,36 6.109,37 4.009,38 4.823,39 5.085,40 3.915,41 3.953,42 5.83,43 3.865,44 4.627,45 4.861,46 3.942,47 3.859,48 5.821,49 3.799,50 4.578,51 4.779,52 3.856,53 3.88,54 5.703,55 3.799,56 0.138,57 0.904,58 12.929,59 4.722,60 20.395,61 5.743,62 0.473,63 1.378,64 22.161,65 7.738,66 72,67 9.924,68 0.338,69 1.611,70 24.428,71 8.777,72 40.919,73 11.033,74 0.405,75 1.764,76 32.164,77 11.123,78 46.141,79 14.3,80 0.678,81 1.676,82 37.021,83 11.492,84 90.976,85 15.73,86 0.506,87 1.46,88 30.445,89 8.58,90 62.666,91 12.541,92 0.541,93 1.281,94 22.957,95 6.991,96 53.727,97 9.878,98 0.292,99 1.246,100 21.137,101 7.269,102 30.346,103 9.7,104 51,105 51,106 0.28,107 0.632,108 0.768,109 0.863,110 0.869,111 0.869,112 3.472,113 0.978,114 -3.85,115 -3.81,116 -3.61,118 38.9,119 2,123 2,138 7,139 2,140 3,141 1,142 1,143 1,146 1,148 1,158 1,159 1,160 1,161 1,167 5,170 3,171 9,172 2,173 4,175 2,178 8,182 9,186 3,188 5,190 2,191 2,192 13,195 1,197 4,199 4,201 2,203 1,204 5,206 2,207 1,208 2,210 1,211 1,213 1,214 1,215 9,220 2,223 3,227 5,228 5,230 2,231 2,233 1,235 1,239 1,240 3,243 1,245 1,247 6,251 3,252 3,254 1,255 2,257 1,260 5,262 1,264 1567,265 20.074,266 20.074,267 20.074,268 20.074,269 20.074,270 17.087,271 26.988,272 11.303,273 20.607,274 16.736,275 16.736,276 16.736,277 16.736,278 16.736,279 12.175,280 41.389,281 5.36,282 17.634,283 4.036,284 1.878,285 1.049,286 0.463,287 0.426,288 0.426,289 4.159,293 1,294 1,295 797,296 3.873,299 77.894,300 294.507,303 134.204,307 1.973,308 31.722,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 67.5,320 371,321 4.845,322 4.685,323 7.24,324 4.298,325 3.377,326 4.71,327 0.8,328 12.181,329 3.09,330 4.623,331 3.297,332 6.671,333 4.154,334 3.185,335 4.582,336 0.4,337 10.671,338 3.082,339 4.237,340 3.146,341 6.389,342 3.878,343 2.947,344 3.787,346 9.682,347 2.741,348 3.997,349 2.817,350 5.656,351 3.577,352 2.629,353 3.553,355 7.841,356 2.5,357 3.82,358 2.506,359 5.486,360 3.346,361 2.382,362 3.318,364 7.05,365 2.285,366 3.509,367 2.301,368 5.364,369 3.112,370 2.146,371 2.824,373 6.502,374 2.07,375 3.334,376 2.095,377 5.133,378 2.916,379 1.957,380 2.622,382 5.891,383 1.868,384 3.144,385 1.813,386 4.847,387 2.68,388 1.715,389 2.439,391 5.232,392 1.653,393 3.111,394 1.754,395 4.714,396 2.64,397 1.672,398 2.351,400 4.851,401 1.611,402 2.682,403 1.298,404 4.033,405 2.174,406 1.223,407 1.765,409 3.139,410 1.16,411 2.658,412 1.27,413 3.718,414 2.146,415 1.154,416 1.711,417 2.746,418 1.141,419 2.283,420 1.052,421 3.497,422 1.877,423 0.908,424 1.208,425 2.204,426 0.877,427 1.952,428 0.837,429 3.435,430 1.601,431 0.653,432 0.819,433 1.692,434 0.618,435 1.509,436 0.575,437 2.986,438 1.198,439 0.241,440 0.292,441 0.597,442 0.229,443 1.053,444 0.163,445 2.859,446 0.728,447 -0.228,448 -0.28,449 -0.543,450 -0.217,451 14.8,452 0.477,453 1.128,454 0.036,455 44.5,456 1.435,457 24,458 0.774,459 20.5,460 0.661,461 24.917,462 0.804,463 33.2,464 0.615,465 35.768,466 1.154,467 8.627,468 0.278,469 6.003,470 0.194,471 0.207,472 0.056,473 0.358,478 0.646,479 1.405,480 0.81,481 1.222,482 0.793,483 0.943,484 0.651,485 0.977,486 0.775,487 0.841,488 0.405,489 0.735,490 1.224,491 1.209,492 1.01,493 0.995,494 1.002,495 1.014,496 0.968,497 1.273,498 1.225,499 1.344,500 0.872,501 1.296,502 1.054,503 0.952,504 0.939,505 0.903,506 1.158,507 0.98,508 1.024,509 0.959,510 0.805,511 0.783,512 0.875,513 0.861,514 0.733,515 0.846,516 0.75,517 0.696,518 0.422,519 0.796,520 0.915,521 1.121,522 1.039,523 1.123,524 0.727,525 1.157,526 8.5,527 0.21,528 4.444,529 3.514,530 1.662,531 1.118,532 0.839,533 0.568,534 0.387,535 0.368,536 13259,537 38562,538 2.02,539 42.6,540 3,541 13,543 1,544 3,545 3,549 1.734,550 1.833,551 3.556,552 0.94,554 1,558 92.832,559 1.719,560 3.877,561 4.705,562 5.292,563 5.329,564 5.329,565 2.946,566 4.503,567 4.929,568 3.766,569 1751.26,570 8.594,571 25249.5,573 1,576 310.764,577 1.705,578 4.848,579 0.25,580 0.008,581 0.087,582 0.068,583 0.036,584 0.028,585 0.023,586 0.015,587 0.011,588 0.012,589 0.539,590 0.33,591 1,592 0.804,593 162.049,594 0.083,595 -0.169,596 0.198,597 -0.09,598 -0.22,599 0.011,600 0.303,601 0.143,602 0.152,603 0.146,604 0.43,605 0.2,606 -0.258,607 -0.091,608 -0.139,609 -0.035,610 -0.125,611 -0.091,612 -0.087,613 -0.217,614 -0.261,615 -0.332,616 -0.053,617 -0.329,618 -0.022,619 -0.038,620 -0.019,621 0.007,622 -0.078,623 0.002,624 -0.101,625 -0.013,626 0.085,627 0.088,628 -0.099,629 0.105,630 0.208,631 0.196,632 0.121,633 0.167,634 0.253,635 0.128,636 -0.09,637 -0.054,638 -0.155,639 -0.173,640 -0.048,641 -0.205,642 4.739,643 4.78,644 0.677,645 30.508,646 1.009,647 1.132,648 2.616,649 6.846,650 0.679,651 3.555,652 3.951,653 4.205,654 4.454,655 4.644,656 4.691,657 4.875,658 4.949,659 4.97,660 5.069,661 7.362,662 0.648,663 437.58,664 3.555,665 5.142,666 6.004,667 6.909,668 7.785,669 8.688,670 9.57,671 10.471,672 11.356,673 12.256,674 13,678 1,682 3,684 3,689 2,690 8,691 3,695 7,696 1,697 22,709 1,711 1,716 54,718 24,719 2,720 34,722 57,723 21,724 17,725 6,726 6,728 4,729 5,732 2,740 17,741 4,744 2,747 1,749 2,757 1,760 23,761 8,762 3,763 10,764 1,769 7,775 0.75,776 2,785 1,788 1,793 1,794 3,797 1,819 3,821 1,823 4,827 31,828 1,831 1,834 1,838 1,850 3.7,853 2,858 16.917,859 11,860 6.5,861 2.905,863 4.399,864 1.555,865 1.013,866 5.436,867 12.325,868 3.871,869 4.588,870 5.154,871 5.763,872 6.287,873 6.552,874 7.005,875 7.374,876 7.598,877 7.973,878 0.875,879 52,880 11.64,881 5.191,882 7.868,883 21.536,884 17.674,885 2.368,886 73.417,889 1,890 235.422,891 137.582,892 104.437,894 44.313,896 5.807,897 131.775,898 279.735,899 104.437,900 34.443,902 103.433,903 106.318,904 46.926,905 6.984,906 223.651,908 235.422,909 236.212,910 44.313,911 5.807,913 235.422,914 44.313,917 53.653,918 132.325,919 56.042,921 235.422,922 148.75,923 137.582,925 5.807,926 235.422,927 21.951,928 114.725,929 18.011,930 125.838,931 235.422,932 148.75,933 137.582,935 0.607,936 0.351,937 0.18,938 0.094,939 26,940 13,941 0.088,942 5,943 1,944 1.095,945 4.111,946 283.485,947 0.095,948 21,949 149.58,953 1,954 21.253,955 7.929,956 4.256,957 2.015,958 146.974,959 14.416,960 13.347,964 4.204,965 1.86,966 49.302,967 521.755,968 47,971 -3.822,973 23.56,980 54.512,981 61.149,983 0.299,984 0.674,985 0.818,986 0.919,987 0.926,988 0.926,989 5.139,990 1.715,991 6.057,992 5.891,993 4.635,994 5.276,995 0.824,996 6.934,997 4.533,998 6.42,999 1.672,1000 7.673,1001 5.232,1002 4.511,1003 5.427,1004 0.325,1005 8.091,1006 4.329,1007 7.791,1008 1.223,1009 9.393,1010 4.851,1011 6.347,1012 7.654,1013 0.413,1014 11.134,1015 6.125,1016 9.2,1017 1.154,1018 11.173,1019 3.139,1020 6.976,1021 8.57,1022 0.268,1023 13.073,1024 6.662,1025 10.639,1026 0.908,1027 12.992,1028 2.746,1029 8.374,1030 10.353,1031 0.246,1032 15.71,1033 8.017,1034 12.1,1035 0.653,1036 14.838,1037 2.204,1038 9.32,1039 11.606,1040 0.188,1041 17.963,1042 8.872,1043 13.579,1044 0.241,1045 16.706,1046 1.692,1047 10.568,1048 13.229,1049 0.157,1050 20.477,1051 10.07,1052 3.377,1053 -0.228,1054 18.589,1055 0.597,1056 11.65,1057 14.636,1058 0.125,1059 22.858,1060 11.067,1061 3.185,1062 12.181,1063 20.486,1064 -0.543,1065 12.849,1066 16.199,1067 0.102,1068 25.337,1069 12.207,1070 2.947,1071 10.671,1072 22.394,1073 4.71,1074 13.99,1075 17.675,1076 0.082,1077 27.773,1078 13.268,1079 2.629,1080 9.682,1081 24.312,1082 4.582,1083 15.176,1084 19.218,1085 0.067,1086 30.246,1087 14.389,1088 2.382,1089 7.841,1090 26.237,1091 3.787,1092 16.343,1093 20.726,1094 0.054,1095 32.706,1096 15.48,1097 2.146,1098 7.05,1099 28.168,1100 3.553,1101 17.528,1102 22.262,1103 0.043,1104 35.182,1105 16.596,1106 1.957,1107 6.502,1108 30.105,1109 3.318,1110 18.708,1111 23.786,1112 0.035,1113 37.655,1114 17.701,1115 12703,1116 21887,1117 21.789,1118 36.688,1119 52.702,1120 53.364,1121 54.365,1122 52.426,1123 52.377,1124 71.959,1125 2.4,1126 160.562,1127 49.856,1128 5.643,1129 6.685,1130 6.787,1131 5.375,1132 5.377,1133 7.71,1134 1.2,1135 19.593,1136 5.09,1137 19.722,1138 1.55,1139 1.57,1140 1.599,1141 1.542,1142 1.54,1143 2.116,1144 0.071,1145 4.722,1146 1.466,1147 4.133,1148 4.171,1149 4.73,1150 4.071,1151 7.726,1152 4.035,1153 4.07,1154 4.062,1155 4.093,1156 4.008,1157 6.999,1158 3.978,1159 3.848,1160 3.896,1161 3.85,1162 3.672,1163 5.057,1164 3.691,1165 3.642,1166 3.646,1167 3.7,1168 3.547,1169 4.982,1170 3.474,1171 3.527,1172 3.585,1173 3.447,1174 3.352,1175 4.826,1176 3.364,1177 3.254,1178 3.343,1179 3.109,1180 3.071,1181 4.658,1182 3.064,1183 3.182,1184 3.275,1185 2.999,1186 2.969,1187 4.406,1188 2.962,1189 3.101,1190 3.209,1191 2.878,1192 2.887,1193 4.064,1194 2.871,1195 0.143,1196 0.138,1197 0.213,1198 0.126,1199 0.099,1200 4.845,1201 0.139,1202 4.685,1203 0.024,1204 7.24,1205 0.358,1206 4.298,1207 0.091,1208 3.377,1209 4.71,1210 0.8,1211 12.181,1212 3.09,1213 1.98,1214 1.982,1215 2.032,1216 2.073,1217 1.212,1218 2.086,1219 1.945,1220 1.921,1221 2.012,1222 2.027,1223 1.185,1224 2.037,1225 1.732,1226 1.686,1227 1.837,1228 1.903,1229 0.907,1230 1.894,1231 1.576,1232 1.504,1233 1.767,1234 1.846,1235 0.796,1236 1.824,1237 1.455,1238 1.479,1239 1.585,1240 1.647,1241 0.634,1242 1.688,1243 1.276,1244 1.19,1245 1.534,1246 1.54,1247 0.599,1248 1.559,1249 1.212,1250 1.13,1251 1.517,1252 1.434,1253 0.571,1254 1.471,1255 1.107,1256 1,1257 1.277,1258 1.374,1259 0.515,1260 1.43,1261 4.234,1263 5.609,1264 2.398,1265 7.165,1266 4.844,1267 8.797,1268 7.002,1269 10.47,1271 7.56,1275 5.298,1278 3.046,1282 1.932,1289 34.981,1290 92.832,1291 209.338,1292 254.093,1293 285.744,1294 287.744,1295 287.744,1296 54.45,1297 7.926,1298 119.03,1299 127.41,1300 23,1301 12.781,1302 4.644,1303 3.807,1304 49.612,1305 139,1306 116,1307 0.174,1308 220.046,1309 365.51,1310 528.671,1311 32767,1313 22.336,1314 0.721,1315 0.596,1316 22.586,1317 18.473,1318 14.63,1319 0.43,1320 0.326,1321 9.518,1322 13.273,1323 9.001,1324 7.557,1325 15.524,1326 11.085,1327 14.586,1328 0.286,1329 0.174,1330 15.954,1331 8.888,1332 11.723,1333 0.178,1334 0.095,1335 12.481,1336 6.29,1337 9.589,1338 0.113,1339 0.049,1340 10.318,1341 4.178,1342 7.514,1343 0.073,1344 0.025,1345 7.966,1346 2.524,1347 0.277,1348 100.934,1349 0.214,1350 29.198,1351 0.468,1352 170,1353 506.202,1354 221.141,1355 518.907,1356 714.91,1357 478,1358 202,1359 521.846,1360 261.213,1361 566.356,1362 818.81,1363 527,1364 5}
{0 CHEMBL483321,1 1.549,2 16.286,3 4.201,4 17.647,5 136.188,6 7.574,7 0.605,8 4.219,9 4.334,10 3.798,11 3.75,12 5.372,13 3.741,14 4.713,15 4.881,16 4.114,17 4.088,18 5.834,19 4.065,20 4.892,21 5.066,22 4.171,23 4.211,24 6.035,25 4.164,26 4.97,27 5.189,28 4.054,29 4.205,30 5.978,31 4.122,32 4.93,33 5.153,34 4.037,35 4.194,36 5.95,37 4.11,38 4.912,39 5.13,40 4.015,41 4.194,42 5.905,43 4.104,44 4.919,45 5.161,46 3.979,47 4.16,48 5.887,49 4.063,50 4.817,51 5.03,52 3.921,53 4.071,54 5.859,55 3.981,56 0.036,57 0.9,58 12.045,59 5.384,60 9.303,61 6.875,62 0.31,63 1.382,64 22.644,65 8.603,66 31.037,67 11.199,68 0.486,69 1.615,70 27.549,71 10.039,72 53.629,73 13.253,74 0.396,75 1.673,76 31.843,77 11.542,78 48.311,79 15.663,80 0.388,81 1.638,82 30.406,83 10.993,84 50.395,85 15.232,86 0.308,87 1.621,88 29.417,89 10.988,90 40.691,91 15.156,92 0.336,93 1.617,94 30.451,95 10.971,96 41.058,97 15.655,98 0.304,99 1.472,100 26.418,101 10.123,102 38.738,103 13.742,104 24,105 51,106 0.246,107 0.623,108 0.817,109 0.894,110 0.899,111 0.899,112 3.588,113 0.882,114 -4.15,115 -4.09,116 -3.87,118 43.5,119 2,123 1,124 2,132 2,138 8,139 3,140 3,141 1,142 2,143 1,144 1,153 1,167 10,170 1,171 8,173 2,175 4,178 11,181 2,182 8,184 1,186 4,188 10,192 6,195 1,197 4,199 7,204 10,206 1,208 4,211 9,215 10,220 3,223 10,227 1,228 6,233 1,235 11,240 6,243 3,244 1,245 1,247 11,251 1,252 5,260 5,264 2673,265 23.817,266 23.817,267 23.817,268 23.817,269 23.817,270 20.668,271 26.984,272 14.393,273 24.396,274 18.757,275 18.757,276 18.757,277 18.757,278 18.757,279 14.02,280 35.961,281 6.834,282 19.599,283 4.405,284 2.03,285 0.811,286 0.327,287 0.295,288 0.295,289 4.286,294 1,295 1212,296 3.937,300 449.957,304 176.052,307 2.784,308 27.117,311 1,312 0.83,313 0.83,314 0.6,315 0.5,316 1,317 1,318 0.82,319 75.5,320 570,321 4.532,322 3.601,323 6.536,324 4.053,325 3.081,326 4.47,327 2.032,328 10.341,329 2.997,330 4.264,331 3.219,332 6.104,333 3.857,334 2.895,335 3.911,336 0.9,337 8.927,338 2.787,339 3.989,340 3.114,341 5.475,342 3.542,343 2.583,344 3.595,345 0.86,346 7.338,347 2.468,348 3.792,349 2.756,350 5.355,351 3.401,352 2.421,353 3.232,354 0.546,355 6.918,356 2.371,357 3.655,358 2.548,359 5.246,360 3.347,361 2.36,362 2.966,363 0.4,364 6.599,365 2.318,366 3.598,367 2.384,368 5.028,369 3.199,370 2.236,371 2.826,373 6.063,374 2.143,375 3.403,376 2.268,377 5.006,378 2.986,379 2.034,380 2.738,382 5.797,383 1.928,384 3.282,385 2.038,386 4.864,387 2.824,388 1.861,389 2.581,391 5.512,392 1.789,393 2.975,394 1.956,395 4.149,396 2.458,397 1.504,398 2.16,400 3.667,401 1.433,402 2.821,403 1.884,404 4.097,405 2.4,406 1.414,407 1.95,409 3.545,410 1.39,411 2.788,412 1.643,413 3.604,414 2.323,415 1.383,416 1.796,417 2.999,418 1.297,419 2.5,420 1.425,421 3.425,422 1.959,423 1.027,424 1.5,425 2.286,426 0.956,427 2.388,428 1.018,429 3.414,430 1.931,431 1,432 1.341,433 2.275,434 0.925,435 2.151,436 1,437 3.128,438 1.869,439 0.94,440 1.103,441 1.745,442 0.858,443 1.79,444 0.849,445 3.081,446 1.422,447 0.483,448 0.59,449 1.157,450 0.448,451 16.5,452 0.471,453 0.746,454 0.021,455 48.75,456 1.393,457 26,458 0.743,459 22.75,460 0.65,461 27.031,462 0.772,463 36.9,464 0.595,465 39.172,466 1.119,467 10.089,468 0.288,469 6.923,470 0.198,471 0.111,473 0.303,478 0.844,479 1.323,480 0.773,481 1.106,482 0.685,483 0.952,484 1.083,485 1.022,486 0.856,487 0.912,488 0.748,489 0.86,490 1.108,491 1.123,492 1.072,493 1.052,494 1.13,495 1.053,496 1.093,497 1.028,498 1.032,499 0.996,500 0.989,501 1.007,502 0.924,503 0.985,504 0.985,505 0.935,506 1.067,507 0.961,508 0.902,509 1.069,510 1.015,511 1.014,512 0.759,513 1.028,514 0.699,515 0.955,516 0.921,517 0.942,518 0.661,519 0.951,520 0.82,521 1.034,522 1.063,523 1.171,524 0.978,525 1.158,526 7,527 0.165,528 3.333,529 1.688,530 1.942,531 0.681,532 0.768,533 0.568,534 0.3,535 0.325,536 20240,537 56117,538 2.075,539 43.5,540 3,541 17,543 2,544 2,545 3,549 1.764,550 1.963,551 3.939,552 0.162,558 96.032,559 1.549,560 3.924,561 5.143,562 5.627,563 5.66,564 5.66,565 3.476,566 4.958,567 5.091,568 4.125,569 2454.23,570 8.928,571 40836.7,576 369.16,577 1.316,578 5.07,579 0.184,580 0.005,581 0.065,582 0.032,583 0.042,584 0.015,585 0.017,586 0.013,587 0.008,588 0.009,589 0.391,590 0.33,591 0.88,592 1.53,593 193.894,594 -0.043,595 -0.171,596 0.051,597 -0.076,598 -0.067,599 -0.009,600 -0.012,601 0.057,602 0.069,603 0.076,604 0.037,605 0.08,606 0.009,607 -0.054,608 -0.135,609 -0.076,610 -0.047,611 -0.119,612 -0.114,613 -0.04,614 -0.058,615 -0.006,616 -0.079,617 -0.023,618 -0.069,619 0.024,620 -0.025,621 0.053,622 -0.076,623 0.026,624 -0.107,625 -0.06,626 -0.071,627 -0.015,628 -0.072,629 -0.035,630 0.006,631 0.049,632 0.04,633 0.044,634 0.019,635 0.052,636 0.029,637 -0.015,638 -0.118,639 -0.181,640 -0.043,641 -0.177,642 1.821,643 4.491,644 0.629,645 52.617,646 1.003,647 1.124,648 2.919,649 8.523,650 0.674,651 3.664,652 3.951,653 4.174,654 4.407,655 4.663,656 4.691,657 4.836,658 4.997,659 5.118,660 5.193,661 9.067,662 0.646,663 469.59,664 3.664,665 5.187,666 6.014,667 6.87,668 7.716,669 8.578,670 9.434,671 10.3,672 11.163,673 12.032,674 8.1,681 1,682 1,684 3,689 2,690 10,691 3,695 7,697 23,709 1,714 1,716 62,718 25,719 2,720 38,722 65,723 27,724 19,725 6,726 6,727 2,728 4,729 5,732 2,740 22,741 5,744 2,749 1,751 2,753 1,760 27,761 8,762 2,763 8,769 5,775 0.75,776 3,787 1,788 1,794 4,798 1,807 1,811 2,818 1,819 3,823 3,827 35,833 2,834 2,835 2,850 4.8,853 1,854 1,855 1,858 17.833,859 12.1,860 7.833,861 3.461,863 4.854,864 1.591,865 0.98,866 8.04,867 13.066,868 3.961,869 4.559,870 5.121,871 5.699,872 6.308,873 6.568,874 7.001,875 7.466,876 7.899,877 8.171,878 1,879 52,880 12.851,881 5.267,882 7.719,883 24.43,884 19.166,885 2.219,886 77.667,890 294.278,891 181.781,892 86.378,894 47.145,897 181.781,898 341.422,899 86.378,900 28.533,901 24.709,902 94.762,903 114.748,904 73.765,905 2.328,906 270.735,908 294.278,909 268.159,910 47.145,913 294.278,914 36.145,915 11,917 82.937,918 115.913,919 69.309,921 294.278,922 133.523,923 181.781,926 294.278,927 40.819,928 140.962,929 36.022,930 97.501,931 294.278,932 133.523,933 181.781,935 0.57,936 0.322,937 0.169,938 0.094,939 22,940 10,941 0.138,942 9,943 1,944 1.091,945 4.716,946 312.44,947 0.091,948 22,949 179.525,954 24.336,955 11.563,956 6.631,957 1.721,958 133.523,959 18.899,960 13.105,964 5.946,966 36.022,967 609.582,968 51.5,973 11.491,975 3.83,977 -0.155,980 62.211,981 69.687,983 0.26,984 0.659,985 0.864,986 0.945,987 0.951,988 0.951,989 5.169,990 1.861,991 5.974,992 5.797,993 4.635,994 5.247,995 2.488,996 6.725,997 4.557,998 6.371,999 1.504,1000 7.493,1001 5.512,1002 4.111,1003 4.997,1004 1.593,1005 7.486,1006 4.028,1007 7.665,1008 1.414,1009 9.107,1010 3.667,1011 6.172,1012 7.453,1013 3.32,1014 10.559,1015 6.028,1016 8.994,1017 1.383,1018 10.779,1019 3.545,1020 6.447,1021 8.021,1022 3.201,1023 12.157,1024 6.293,1025 10.351,1026 1.027,1027 12.487,1028 2.999,1029 7.962,1030 9.945,1031 4.508,1032 14.742,1033 7.759,1034 11.731,1035 1,1036 14.222,1037 2.286,1038 8.633,1039 10.932,1040 4.754,1041 16.724,1042 8.411,1043 13.127,1044 0.94,1045 15.978,1046 2.275,1047 9.908,1048 12.616,1049 5.82,1050 19.136,1051 9.647,1052 3.081,1053 0.483,1054 17.75,1055 1.745,1056 10.787,1057 13.834,1058 6.253,1059 21.301,1060 10.501,1061 2.895,1062 10.341,1063 19.536,1064 1.157,1065 11.956,1066 15.404,1067 7.18,1068 23.65,1069 11.637,1070 2.583,1071 8.927,1072 21.333,1073 4.47,1074 12.943,1075 16.748,1076 7.72,1077 25.9,1078 12.597,1079 2.421,1080 7.338,1081 23.141,1082 3.911,1083 14.067,1084 18.266,1085 8.563,1086 28.229,1087 13.69,1088 2.36,1089 6.918,1090 24.957,1091 3.595,1092 15.111,1093 19.677,1094 9.167,1095 30.519,1096 14.706,1097 2.236,1098 6.599,1099 26.78,1100 3.232,1101 16.218,1102 21.173,1103 9.96,1104 32.843,1105 15.785,1106 2.034,1107 6.063,1108 28.61,1109 2.966,1110 17.291,1111 22.62,1112 10.603,1113 35.152,1114 16.83,1115 19478,1116 32566,1117 25.542,1118 41.767,1119 55.955,1120 56.907,1121 56.87,1122 55.214,1123 55.313,1124 74.611,1125 9.474,1126 152.226,1127 53.036,1128 5.377,1129 5.601,1130 6.315,1131 5.132,1132 5.081,1133 7.47,1134 3.636,1135 17.186,1136 4.997,1137 16.95,1138 1.472,1139 1.498,1140 1.497,1141 1.453,1142 1.456,1143 1.963,1144 0.249,1145 4.006,1146 1.396,1147 4.087,1148 4.119,1149 4.053,1150 4.003,1151 7.429,1152 4.01,1153 3.944,1154 3.967,1155 3.896,1156 3.858,1157 5.085,1158 3.863,1159 3.83,1160 3.869,1161 3.769,1162 3.735,1163 4.975,1164 3.739,1165 3.712,1166 3.761,1167 3.626,1168 3.527,1169 4.736,1170 3.539,1171 3.533,1172 3.572,1173 3.455,1174 3.325,1175 4.609,1176 3.355,1177 3.332,1178 3.397,1179 3.21,1180 3.14,1181 4.548,1182 3.149,1183 3.217,1184 3.286,1185 3.095,1186 3.035,1187 4.308,1188 3.034,1189 3.179,1190 3.258,1191 2.999,1192 3.017,1193 4.222,1194 2.999,1195 0.119,1196 0.095,1197 0.172,1198 0.107,1199 0.081,1200 4.532,1201 0.118,1202 3.601,1203 0.053,1204 6.536,1205 0.272,1206 4.053,1207 0.079,1208 3.081,1209 4.47,1210 2.032,1211 10.341,1212 2.997,1213 2.031,1214 2.005,1215 2.099,1216 2.132,1217 1.221,1218 2.123,1219 1.91,1220 1.889,1221 2.012,1222 2.02,1223 1.129,1224 2.017,1225 1.81,1226 1.775,1227 1.938,1228 1.93,1229 0.994,1230 1.936,1231 1.64,1232 1.591,1233 1.816,1234 1.867,1235 0.946,1236 1.849,1237 1.452,1238 1.415,1239 1.673,1240 1.69,1241 0.752,1242 1.685,1243 1.288,1244 1.225,1245 1.555,1246 1.531,1247 0.618,1248 1.534,1249 1.201,1250 1.132,1251 1.52,1252 1.431,1253 0.584,1254 1.464,1255 1.196,1256 1.121,1257 1.48,1258 1.419,1259 0.524,1260 1.453,1261 4.344,1263 5.638,1265 7.124,1267 8.701,1269 10.328,1271 5.425,1277 0.467,1278 6.157,1279 10.781,1289 40.046,1290 96.032,1291 243.28,1292 318.896,1293 348.896,1294 350.896,1295 350.896,1296 56.08,1297 8.212,1298 98.26,1299 98.26,1300 24,1301 12.578,1302 4.7,1303 3.858,1304 59.763,1305 185,1306 223,1307 0.152,1308 248.094,1309 429.67,1310 597.11,1311 50363,1313 24.623,1314 0.704,1315 0.569,1316 24.623,1317 19.909,1318 17.012,1319 0.448,1320 0.294,1321 10.993,1322 16.321,1323 10.623,1324 8.912,1325 17.012,1326 11.168,1327 14.986,1328 0.294,1329 0.156,1330 14.986,1331 7.981,1332 12.116,1333 0.189,1334 0.081,1335 12.116,1336 5.212,1337 9.825,1338 0.121,1339 0.043,1340 9.825,1341 3.447,1342 8.179,1343 0.078,1344 0.022,1345 8.179,1346 2.33,1347 0.247,1348 106.9,1349 0.198,1350 33.048,1351 0.393,1352 178,1353 544.808,1354 195.684,1355 525.652,1356 718.87,1357 494,1358 204,1359 525.974,1360 221.519,1361 536.926,1362 773.19,1363 501,1364 5}
{0 CHEMBL486437,1 1.544,2 12.286,3 4.746,4 22.528,5 134.07,6 7.17,7 0.421,8 4.304,9 4.415,10 3.933,11 3.975,12 5.356,13 3.864,14 4.862,15 5.036,16 4.219,17 4.354,18 5.845,19 4.226,20 5.04,21 5.196,22 4.316,23 4.426,24 6.051,25 4.341,26 5.283,27 5.516,28 4.368,29 4.476,30 6.221,31 4.383,32 5.278,33 5.485,34 4.345,35 4.467,36 6.251,37 4.385,38 5.224,39 5.415,40 4.373,41 4.49,42 6.27,43 4.385,44 5.316,45 5.567,46 4.337,47 4.506,48 6.268,49 4.371,50 5.198,51 5.4,52 4.241,53 4.472,54 6.24,55 4.328,56 0.032,57 1.049,58 16.984,59 9.121,60 13.185,61 9.857,62 0.603,63 1.772,64 37.71,65 18.097,66 42.501,67 17.943,68 0.473,69 1.846,70 35.418,71 15.411,72 37.975,73 18.968,74 0.438,75 2.158,76 46.12,77 17.757,78 57.648,79 23.444,80 0.765,81 2.181,82 48.388,83 17.089,84 67.969,85 21.068,86 0.669,87 2.121,88 42.866,89 17.066,90 68.46,91 21.73,92 0.754,93 2.307,94 51.062,95 19.379,96 75.074,97 24.26,98 0.682,99 2.078,100 43.979,101 18.001,102 85.557,103 21.653,104 70,105 55,106 0.243,107 0.554,108 0.731,109 0.768,110 0.779,111 0.798,112 3.589,113 1.22,114 -3.7,115 -3.67,116 -3.49,118 39.1,123 6,124 3,125 1,133 2,138 6,139 3,140 3,147 1,148 1,153 1,167 10,170 1,171 6,173 1,175 2,178 11,181 2,182 9,186 2,188 9,191 1,192 13,197 3,199 7,204 8,206 1,208 1,211 6,214 3,215 8,218 2,220 2,223 5,227 1,228 6,231 2,233 1,235 5,239 3,240 6,247 2,251 1,252 5,264 2353,265 23.472,266 23.472,267 23.472,268 23.472,269 23.472,270 21.323,271 25.185,272 13.514,273 24.251,274 18.573,275 18.573,276 18.573,277 18.573,278 18.573,279 14.924,280 30.696,281 6.103,282 19.498,283 4.565,284 2.585,285 1.461,286 1.226,287 1.157,288 1.037,289 4.278,294 1,295 902,296 4.301,299 166.673,300 199.462,303 142.68,307 1.984,308 33.209,311 1,312 0.67,313 0.83,314 1,315 1,316 1,317 1,318 0.93,319 75.333,320 430,321 4.745,322 3.686,323 7.02,324 4.33,325 3.342,326 4.656,327 1.081,328 12.033,329 3.305,330 4.505,331 3.356,332 6.669,333 4.098,334 3.114,335 4.202,336 1.041,337 10.753,338 3.095,339 4.277,340 3.265,341 6.477,342 4.078,343 3.097,344 3.804,345 0.86,346 10.051,347 3.013,348 4.098,349 3.106,350 6.394,351 3.869,352 2.912,353 3.098,354 0.86,355 9.951,356 2.768,357 3.564,358 2.744,359 5.795,360 3.215,361 2.247,362 2.895,363 0.86,364 7.659,365 2.176,366 3.384,367 2.555,368 5.19,369 2.977,370 2.061,371 2.725,372 0.473,373 6.118,374 1.938,375 3.355,376 2.42,377 5.186,378 2.972,379 2.017,380 2.604,382 6.024,383 1.887,384 3.337,385 2.26,386 5.026,387 2.927,388 1.941,389 2.565,391 5.59,392 1.867,393 2.902,394 1.942,395 4.461,396 2.416,397 1.479,398 2,400 3.889,401 1.413,402 2.696,403 1.857,404 3.965,405 2.371,406 1.404,407 1.75,409 3.153,410 1.315,411 2.493,412 1.677,413 3.749,414 2.118,415 1.179,416 1.476,417 2.76,418 1.107,419 2.267,420 1.24,421 3.591,422 2.026,423 1.142,424 1.233,425 2.712,426 0.995,427 2.164,428 1.159,429 3.579,430 1.816,431 0.859,432 1.056,433 2.064,434 0.816,435 1.989,436 1.03,437 3.495,438 1.719,439 0.771,440 0.921,441 1.89,442 0.727,443 1.576,444 0.916,445 3.032,446 1.27,447 0.396,448 0.452,449 0.786,450 0.342,451 17.217,452 0.492,453 0.99,454 0.028,455 42,456 1.2,457 18.5,458 0.529,459 23.5,460 0.671,461 35.402,462 1.011,463 38.583,464 0.559,465 37.266,466 1.065,467 8.137,468 0.232,469 8.631,470 0.247,471 0.194,472 0.073,473 0.314,478 0.911,479 1.332,480 0.89,481 1.331,482 0.72,483 1.063,484 1.294,485 1.295,486 1.392,487 2.161,488 0.804,489 1.241,490 0.816,491 1.241,492 0.977,493 1.047,494 0.879,495 1.15,496 0.774,497 0.9,498 0.68,499 0.574,500 0.754,501 0.772,502 1.503,503 0.9,504 1.03,505 0.746,506 1.263,507 0.864,508 0.855,509 1.105,510 0.92,511 0.766,512 1.002,513 1.023,514 0.929,515 0.786,516 0.826,517 0.703,518 0.918,519 0.772,520 1.112,521 1.003,522 1.101,523 0.901,524 1.801,525 1.069,526 7.5,527 0.289,528 4.222,529 3.264,530 2.212,531 1.434,532 1.257,533 0.713,534 0.676,535 0.439,536 16096,537 38417,538 2.017,539 49.3,541 30,542 3,544 1,549 1.772,550 1.85,551 3.535,552 -0.373,558 106.523,559 1.544,560 3.523,561 4.647,562 4.883,563 4.952,564 5.072,565 3.065,566 4.629,567 5.094,568 3.756,569 2234.75,570 8.979,571 33976.7,576 421.488,577 1.652,578 5.033,579 0.197,580 0.008,581 0.077,582 0.056,583 0.036,584 0.024,585 0.022,586 0.013,587 0.014,588 0.01,589 0.458,590 0.33,591 0.88,592 1.555,593 187.328,594 -0.006,595 -0.04,596 0.134,597 0.111,598 -0.05,599 0.079,600 0.024,601 0.124,602 -0.092,603 -0.121,604 0.05,605 0.051,606 0.061,607 -0.226,608 -0.1,609 -0.191,610 -0.009,611 -0.19,612 0.073,613 -0.031,614 0.175,615 0.029,616 0.121,617 0.104,618 -0.2,619 0.045,620 -0.079,621 0.012,622 -0.126,623 0.018,624 0.136,625 -0.162,626 -0.044,627 -0.07,628 0.11,629 -0.133,630 0.043,631 0.173,632 0.127,633 0.119,634 0.13,635 0.152,636 -0.03,637 -0.017,638 -0.155,639 -0.02,640 -0.136,641 -0.126,642 1.853,643 6.05,644 0.571,645 40.147,646 0.996,647 1.122,648 2.469,649 6.098,650 0.674,651 3.664,652 4.025,653 4.317,654 4.644,655 4.868,656 5.043,657 5.263,658 5.412,659 5.481,660 5.576,661 7.304,662 0.622,663 494.72,664 3.664,665 5.231,666 6.098,667 7.011,668 7.904,669 8.825,670 9.73,671 10.654,672 11.568,673 12.495,674 2.9,681 1,682 1,689 2,690 7,695 5,696 1,697 16,714 3,716 69,718 18,719 2,720 38,722 72,723 27,724 14,725 6,726 6,727 3,728 4,729 5,740 17,741 10,744 2,749 1,753 3,760 34,761 6,762 1,763 8,764 1,769 2,775 0.75,776 5,789 1,793 2,794 2,797 1,807 1,812 2,818 1,819 3,823 6,827 35,833 4,834 1,835 4,841 1,850 7.2,853 1,854 1,855 3,858 18.917,859 14.367,860 7.792,861 3.904,863 3.461,864 1.419,865 1.009,866 8.065,867 11.714,868 3.892,869 4.519,870 5.154,871 5.798,872 6.349,873 6.776,874 7.263,875 7.691,876 7.969,877 8.369,878 1,879 58,880 13.009,881 5.485,882 7.639,883 25.26,884 21.132,885 2.139,886 74.861,890 188.338,891 124.0335,892 84.908,894 37.1,897 120.54,898 248.041,899 86.378,900 16.793,901 11.719,902 79.337,903 90.2305,904 51.0465,905 14.472,906 164.795,908 188.338,909 199.077,910 44,913 176.567,914 66.313,917 53.618,918 100.311,919 51.582,921 191.527,922 127.591,923 139.306,926 188.338,927 33.399,928 84.3135,929 18.011,930 116.702,931 188.338,932 130.82,933 139.306,935 0.582,936 0.343,937 0.197,938 0.105,939 26,940 13,941 0.139,942 10,943 1,944 1.1,945 4.3,946 343.375,947 0.1,948 20,949 166.77,954 25.961,955 10.873,956 5.51,957 2.157,958 125.815,959 13.951,964 3.23,965 2.123,966 49.683,967 455.06,968 48,973 13.05,977 1.408,980 68.756,981 77.411,982 1,983 0.253,984 0.577,985 0.761,986 0.799,987 0.811,988 0.83,989 5.165,990 1.941,991 6.129,992 6.024,993 4.71,994 5.207,995 2.341,996 7.02,997 4.633,998 6.404,999 1.479,1000 7.741,1001 5.59,1002 4.511,1003 5.207,1005 8.201,1006 4.45,1007 7.751,1008 1.404,1009 9.459,1010 3.889,1011 6.415,1012 7.485,1013 2.247,1014 11.26,1015 6.3,1016 9.139,1017 1.179,1018 11.237,1019 3.153,1020 7.022,1021 8.306,1023 13.209,1024 6.918,1025 10.56,1026 1.142,1027 13.053,1028 2.76,1029 8.44,1030 10.106,1031 2.218,1032 15.842,1033 8.303,1034 12.003,1035 0.859,1036 14.892,1037 2.712,1038 9.377,1039 11.298,1041 18.079,1042 9.242,1043 13.464,1044 0.771,1045 16.748,1046 2.064,1047 10.628,1048 12.918,1049 2.229,1050 20.579,1051 10.471,1052 3.342,1053 0.396,1054 18.617,1055 1.89,1056 11.701,1057 14.282,1059 22.933,1060 11.539,1061 3.114,1062 12.033,1063 20.495,1064 0.786,1065 12.893,1066 15.832,1067 2.269,1068 25.393,1069 12.717,1070 3.097,1071 10.753,1072 22.38,1073 4.656,1074 14.021,1075 17.277,1077 27.8,1078 13.837,1079 2.912,1080 10.051,1081 24.271,1082 4.202,1083 15.196,1084 18.803,1085 2.333,1086 30.251,1087 15,1088 2.247,1089 9.951,1090 26.167,1091 3.804,1092 16.348,1093 20.286,1095 32.683,1096 16.143,1097 2.061,1098 7.659,1099 28.067,1100 3.098,1101 17.519,1102 21.804,1103 2.415,1104 35.136,1105 17.303,1106 2.017,1107 6.118,1108 29.971,1109 2.895,1110 18.683,1111 23.307,1113 37.584,1114 18.458,1115 15873,1116 24791,1117 24.561,1118 46.523,1119 57.481,1120 59.812,1121 60.414,1122 56.931,1123 57.218,1124 72.279,1125 10.349,1126 172.857,1127 54.667,1128 5.669,1129 5.686,1130 6.699,1131 5.407,1132 5.342,1133 7.656,1134 2.162,1135 19.741,1136 5.305,1137 21.579,1138 1.513,1139 1.574,1140 1.59,1141 1.498,1142 1.506,1143 1.902,1144 0.272,1145 4.549,1146 1.439,1147 4.17,1148 4.197,1149 4.172,1150 4.563,1151 7.429,1152 4.1,1153 3.96,1154 3.972,1155 4.119,1156 4.087,1157 4.993,1158 3.964,1159 3.755,1160 3.802,1161 3.927,1162 3.872,1163 4.923,1164 3.882,1165 3.713,1166 3.74,1167 3.665,1168 3.566,1169 4.58,1170 3.583,1171 3.476,1172 3.53,1173 3.384,1174 3.296,1175 4.549,1176 3.308,1177 3.303,1178 3.355,1179 3.145,1180 3.092,1181 4.472,1182 3.082,1183 3.263,1184 3.323,1185 3.144,1186 3.006,1187 4.393,1188 3.026,1189 3.235,1190 3.304,1191 3.054,1192 2.961,1193 4.208,1194 2.969,1195 0.125,1196 0.097,1197 0.185,1198 0.114,1199 0.088,1200 4.745,1201 0.123,1202 3.686,1203 0.028,1204 7.02,1205 0.317,1206 4.33,1207 0.087,1208 3.342,1209 4.656,1210 1.081,1211 12.033,1212 3.305,1213 1.96,1214 1.945,1215 2.039,1216 2.035,1217 1.48,1218 2.035,1219 1.892,1220 1.878,1221 1.965,1222 2.003,1223 1.217,1224 1.989,1225 1.859,1226 1.824,1227 1.87,1228 1.838,1229 1.119,1230 1.87,1231 1.642,1232 1.609,1233 1.759,1234 1.704,1235 0.961,1236 1.786,1237 1.387,1238 1.349,1239 1.621,1240 1.627,1241 0.83,1242 1.616,1243 1.314,1244 1.259,1245 1.59,1246 1.573,1247 0.725,1248 1.582,1249 1.227,1250 1.163,1251 1.572,1252 1.558,1253 0.587,1254 1.565,1255 1.217,1256 1.142,1257 1.55,1258 1.505,1259 0.584,1260 1.525,1261 4.344,1263 5.694,1264 3.045,1265 7.233,1266 5.476,1267 8.864,1268 7.636,1269 10.547,1271 11.748,1277 2.777,1278 3.001,1279 22.574,1285 -1.159,1289 42.93,1290 106.523,1291 243.096,1292 320.655,1293 336.92,1294 341.675,1295 349.939,1296 75.667,1297 8.254,1298 70.95,1299 70.95,1300 22,1301 13.001,1302 4.248,1303 3.459,1304 59.222,1305 149,1306 169,1307 0.193,1308 264.14,1309 471.22,1310 636.262,1311 45350,1313 25.165,1314 0.719,1315 0.639,1316 25.415,1317 22.358,1318 16.768,1319 0.441,1320 0.407,1321 11.909,1322 15.246,1323 10.984,1324 9.254,1325 17.694,1326 15.455,1327 15.514,1328 0.282,1329 0.281,1330 16.92,1331 15.449,1332 12.5,1333 0.169,1334 0.107,1335 12.964,1336 7.953,1337 10.995,1338 0.107,1339 0.05,1340 11.322,1341 5.135,1342 8.782,1343 0.068,1344 0.027,1345 9.005,1346 3.474,1347 0.299,1348 113.973,1349 0.202,1350 31.786,1351 0.542,1352 186,1353 538.156,1354 224.534,1355 510.923,1356 698.49,1357 482,1358 222,1359 497.462,1360 266.047,1361 517.885,1362 760.33,1363 478,1364 4.357}
{0 CHEMBL488271,1 1.645,2 11.061,3 4.82,4 23.232,5 129.598,6 8.437,7 0.632,8 4.124,9 4.231,10 3.846,11 3.747,12 5.26,13 3.721,14 4.654,15 4.799,16 4.275,17 4.175,18 5.755,19 4.137,20 4.892,21 5.054,22 4.401,23 4.351,24 5.989,25 4.303,26 5.006,27 5.162,28 4.443,29 4.423,30 6.232,31 4.381,32 5.054,33 5.229,34 4.435,35 4.404,36 6.239,37 4.367,38 5.023,39 5.203,40 4.376,41 4.336,42 6.244,43 4.28,44 4.944,45 5.147,46 4.112,47 4.195,48 6.077,49 4.113,50 4.83,51 5.05,52 3.943,53 4.088,54 5.986,55 3.939,56 0.042,57 0.829,58 9.22,59 4.63,60 9.457,61 5.401,62 0.27,63 1.42,64 20.785,65 8.178,66 19.716,67 9.787,68 0.353,69 1.735,70 28.082,71 11.263,72 25.261,73 13.286,74 0.534,75 1.901,76 31.812,77 11.933,78 75.49,79 13.564,80 0.363,81 1.908,82 30.051,83 12.196,84 54.743,85 14.332,86 0.503,87 1.834,88 32.319,89 12.396,90 67.588,91 14.01,92 0.417,93 1.674,94 29.998,95 11.366,96 61.123,97 13.829,98 0.49,99 1.484,100 28.387,101 11.38,102 83.932,103 14.159,104 23,105 57,106 0.265,107 0.599,108 0.74,109 0.831,110 0.877,111 0.889,112 3.533,113 0.928,114 -3.62,115 -3.59,116 -3.42,118 46.3,120 1,123 1,124 2,138 9,139 3,147 1,148 5,153 2,154 1,158 1,159 1,160 1,167 10,170 2,171 9,172 1,173 1,175 1,178 12,180 1,181 5,182 5,188 10,191 3,192 9,197 1,199 7,201 1,204 19,211 8,214 1,215 18,217 1,218 1,223 8,228 11,235 14,239 2,240 1,242 2,243 2,247 8,251 2,254 2,255 2,260 8,264 1803,265 22.836,266 22.836,267 22.836,268 22.836,269 22.836,270 19.579,271 11.904,272 13.145,273 23.441,274 18.699,275 18.699,276 18.699,277 18.699,278 18.699,279 13.773,280 10.503,281 6.148,282 19.648,283 4.11,284 2.033,285 1.163,286 0.597,287 0.31,288 0.236,289 4.253,293 1,294 1,295 827,296 3.808,299 114.16,300 102.568,301 49.049,303 147.152,304 221.062,305 83.545,306 92.814,307 1.638,308 32.646,311 1,312 0.67,313 1,314 0.6,315 0.5,316 1,317 1,318 0.82,319 70.5,320 365,321 4.984,322 4.475,323 7.389,324 4.513,325 3.552,326 5.13,327 3.652,328 13.441,329 3.413,330 4.561,331 3.986,332 6.809,333 4.082,334 3.101,335 4.579,336 1.349,337 11.193,338 3.04,339 4.449,340 3.351,341 6.774,342 4.03,343 3.066,344 4.05,345 0.8,346 11.103,347 2.956,348 3.873,349 3.292,350 5.98,351 3.37,352 2.392,353 3.539,354 0.644,355 8.211,356 2.34,357 3.717,358 3.01,359 5.827,360 3.224,361 2.349,362 2.976,364 7.717,365 2.143,366 3.604,367 2.885,368 5.581,369 3.156,370 2.252,371 2.957,373 6.854,374 2.077,375 3.522,376 2.445,377 5.004,378 3.079,379 2.074,380 2.883,382 5.891,383 1.923,384 3.148,385 2.335,386 4.988,387 2.653,388 1.642,389 2.32,391 5.043,392 1.643,393 3.046,394 1.908,395 4.763,396 2.559,397 1.588,398 2.304,400 4.559,401 1.546,402 2.933,403 1.888,404 4.546,405 2.539,406 1.545,407 2.095,409 4.058,410 1.526,411 2.772,412 1.547,413 3.955,414 2.334,415 1.375,416 1.902,417 3.043,418 1.31,419 2.618,420 1.46,421 3.728,422 2.259,423 1.269,424 1.63,425 2.904,426 1.254,427 2.517,428 1.294,429 3.613,430 2.037,431 1.066,432 1.502,433 2.754,434 1.031,435 2.118,436 1.282,437 3.539,438 1.665,439 0.729,440 0.917,441 1.752,442 0.667,443 2.073,444 1.08,445 3.348,446 1.597,447 0.605,448 0.911,449 1.563,450 0.599,451 16,452 0.485,453 0.833,454 0.025,455 45,456 1.364,457 22.5,458 0.682,459 22.5,460 0.682,461 29.473,462 0.893,463 33.2,464 0.615,465 36.937,466 1.119,467 8.611,468 0.261,469 7.486,470 0.227,471 0.098,473 0.419,478 0.745,479 1.213,480 0.686,481 0.872,482 0.599,483 0.812,484 0.672,485 1.1,486 0.865,487 0.959,488 0.533,489 0.82,490 0.776,491 0.97,492 0.944,493 0.982,494 0.762,495 0.856,496 1.147,497 1.029,498 1.098,499 1.025,500 1.158,501 0.937,502 1.414,503 0.988,504 0.798,505 0.857,506 1.446,507 0.893,508 1.496,509 0.904,510 0.933,511 0.945,512 1.633,513 0.965,514 1.4,515 1.008,516 0.947,517 0.979,518 1.445,519 1.069,520 0.908,521 0.945,522 1.035,523 1.023,524 1.021,525 1.161,526 4.5,527 0.153,528 3.778,529 3.465,530 2.471,531 1.8,532 1.114,533 0.606,534 0.312,535 0.171,536 13912,537 37489,538 2.184,539 38.9,541 16,542 1,544 2,547 2,549 1.76,550 2.041,551 3.297,552 0.192,558 88.819,559 1.645,560 3.722,561 4.592,562 5.157,563 5.445,564 5.519,565 2.843,566 4.863,567 5.003,568 3.524,569 1860.57,570 8.813,571 25539.4,576 310.764,577 1.411,578 4.977,579 0.118,580 0.007,581 0.066,582 0.053,583 0.036,584 0.027,585 0.019,586 0.013,587 0.009,588 0.007,589 0.356,590 0.33,591 0.88,592 1.439,593 169.641,594 -0.059,595 -0.131,596 0.062,597 0.016,598 -0.065,599 0.032,600 0.129,601 -0.012,602 0.06,603 0.004,604 0.037,605 0.071,606 0.133,607 0.072,608 0.009,609 -0.003,610 0.021,611 0.068,613 0.01,614 -0.164,615 -0.072,616 0.017,617 -0.04,618 -0.166,619 -0.012,620 0.002,621 0.01,622 -0.089,623 0.017,624 -0.137,625 0.068,626 -0.016,627 -0.013,628 -0.092,629 -0.036,630 -0.182,631 -0.073,632 -0.083,633 -0.076,634 -0.096,635 -0.106,636 0.112,637 -0.024,638 -0.039,639 -0.025,640 0.116,641 -0.138,642 1.936,643 6.742,644 0.697,645 33.802,646 1.006,647 1.114,648 2.39,649 5.713,650 0.716,651 3.664,652 4.06,653 4.477,654 4.89,655 5.231,656 5.537,657 5.852,658 6.133,659 6.34,660 6.515,661 6.301,662 0.684,663 455.58,664 3.664,665 5.252,666 6.172,667 7.114,668 8.062,669 9.021,670 9.982,671 10.95,672 11.918,673 12.891,674 9.3,675 1,681 1,682 2,683 1,689 6,690 10,695 2,697 24,716 54,718 27,719 2,720 38,722 59,723 25,724 18,725 5,726 7,727 2,728 6,729 31,738 1,740 21,741 4,744 3,749 2,752 1,753 3,760 21,761 5,762 2,763 8,764 1,769 5,772 1,775 0.167,776 2,789 2,793 3,794 2,795 1,797 2,798 3,799 1,800 1,813 1,819 1,820 1,821 1,823 1,827 33,828 1,833 3,836 1,838 1,850 3.7,853 2,858 16.167,859 10.217,860 7.139,861 3.246,863 5.524,864 1.587,865 1.078,866 4.802,867 14.928,868 3.989,869 4.718,870 5.496,871 6.289,872 7.011,873 7.68,874 8.355,875 8.998,876 9.555,877 10.086,878 1,879 66,880 12.285,881 5.525,882 7.732,883 23.441,884 20.282,885 2.232,886 73.667,889 1,890 223.651,891 170.257,892 55.38,894 50.29,896 32.22,897 138.037,898 273.941,899 55.38,900 8.396,901 41.561,902 94.334,903 59.699,904 27.077,905 24.41,906 244.099,908 223.651,909 193.417,910 50.29,911 32.22,913 200.109,914 73.832,917 60.92,918 132.497,920 32.22,921 223.651,922 105.67,923 170.257,926 223.651,927 67.527,928 108.427,930 99.973,931 223.651,932 105.67,933 170.257,935 0.589,936 0.368,937 0.213,938 0.121,939 32,940 14,941 0.085,942 5,943 6,944 1.478,945 4.167,946 356.657,947 0.522,948 22,949 166.465,950 1,954 20.487,955 7.734,956 2.967,957 5.826,958 103.097,959 20.044,964 0.817,966 32.897,967 499.577,968 53,973 27.402,976 3.937,977 -0.04,980 54.309,981 60.152,983 0.286,984 0.647,985 0.798,986 0.896,987 0.946,988 0.959,989 5.257,990 1.642,991 6.188,992 5.891,993 4.745,994 5.407,995 3.476,996 7.128,997 4.664,998 6.519,999 1.588,1000 7.82,1001 5.043,1002 4.443,1003 5.447,1004 2.048,1005 8.269,1006 4.324,1007 7.881,1008 1.545,1009 9.558,1010 4.559,1011 6.447,1012 7.829,1013 5.806,1014 11.493,1015 6.292,1016 9.288,1017 1.375,1018 11.359,1019 4.058,1020 7.022,1021 8.761,1022 4.965,1023 13.499,1024 6.832,1025 10.733,1026 1.269,1027 13.201,1028 3.043,1029 8.498,1030 10.621,1031 8.332,1032 16.257,1033 8.276,1034 12.206,1035 1.066,1036 15.071,1037 2.904,1038 9.456,1039 11.944,1040 7.832,1041 18.6,1042 9.199,1043 13.7,1044 0.729,1045 16.962,1046 2.754,1047 10.754,1048 13.626,1049 10.879,1050 21.218,1051 10.466,1052 3.552,1053 0.605,1054 18.869,1055 1.752,1056 11.875,1057 15.116,1058 10.626,1059 23.696,1060 11.55,1061 3.101,1062 13.441,1063 20.788,1064 1.563,1065 13.12,1066 16.742,1067 13.431,1068 26.274,1069 12.76,1070 3.066,1071 11.193,1072 22.718,1073 5.13,1074 14.308,1075 18.302,1076 13.372,1077 28.808,1078 13.91,1079 2.392,1080 11.103,1081 24.655,1082 4.579,1083 15.543,1084 19.913,1085 15.985,1086 31.38,1087 15.106,1088 2.349,1089 8.211,1090 26.6,1091 4.05,1092 16.761,1093 21.504,1094 16.085,1095 33.94,1096 16.285,1097 2.252,1098 7.717,1099 28.55,1100 3.539,1101 17.997,1102 23.115,1103 18.542,1104 36.516,1105 17.481,1106 2.074,1107 6.854,1108 30.505,1109 2.976,1110 19.231,1111 24.721,1112 18.776,1113 39.089,1114 18.674,1115 12989,1116 21425,1117 25.778,1118 38.676,1119 59.087,1120 63.607,1121 61.987,1122 58.606,1123 58.62,1124 81.111,1125 12.89,1126 183.137,1127 56.232,1128 5.931,1129 6.475,1130 7.076,1131 5.606,1132 5.552,1133 8.13,1134 7.13,1135 21.441,1136 5.413,1137 15.135,1138 1.555,1139 1.674,1140 1.631,1141 1.542,1142 1.543,1143 2.134,1144 0.339,1145 4.819,1146 1.48,1147 4.329,1148 4.36,1149 4.313,1150 4.229,1151 7.447,1152 4.245,1153 4.012,1154 4.043,1155 3.974,1156 3.935,1157 7.408,1158 3.94,1159 3.81,1160 3.842,1161 3.92,1162 3.667,1163 5.121,1164 3.679,1165 3.616,1166 3.671,1167 3.753,1168 3.529,1169 5.073,1170 3.476,1171 3.492,1172 3.536,1173 3.419,1174 3.396,1175 4.825,1176 3.396,1177 3.445,1178 3.524,1179 3.318,1180 3.247,1181 4.333,1182 3.249,1183 3.259,1184 3.309,1185 3.166,1186 3.109,1187 4.309,1188 3.11,1189 2.99,1190 3.091,1191 2.937,1192 2.845,1193 4.296,1194 2.835,1195 0.131,1196 0.118,1197 0.194,1198 0.119,1199 0.093,1200 4.984,1201 0.135,1202 4.475,1203 0.096,1204 7.389,1205 0.354,1206 4.513,1207 0.09,1208 3.552,1209 5.13,1210 3.652,1211 13.441,1212 3.413,1213 2.008,1214 1.989,1215 2.07,1216 2.081,1217 1.259,1218 2.076,1219 1.95,1220 1.924,1221 2.034,1222 2.051,1223 1.219,1224 2.043,1225 1.709,1226 1.676,1227 1.867,1228 1.876,1229 1.17,1230 1.873,1231 1.666,1232 1.615,1233 1.752,1234 1.849,1235 0.932,1236 1.841,1237 1.551,1238 1.512,1239 1.669,1240 1.716,1241 0.784,1242 1.713,1243 1.43,1244 1.361,1245 1.66,1246 1.672,1247 0.667,1248 1.675,1249 1.203,1250 1.158,1251 1.364,1252 1.454,1253 0.582,1254 1.441,1255 1.132,1256 1.093,1257 1.325,1258 1.281,1259 0.405,1260 1.301,1261 4.344,1263 5.72,1264 3.434,1265 7.296,1266 5.974,1267 8.97,1268 8.223,1269 10.703,1271 1.644,1275 5.756,1277 1.643,1280 1.425,1282 1.364,1289 36.938,1290 88.819,1291 200.976,1292 247.97,1293 278.499,1294 294.009,1295 298.009,1296 56.309,1297 9.404,1298 86.27,1299 111.57,1300 34,1301 13.367,1302 4.807,1303 4,1304 42.989,1305 121,1306 178,1307 0.177,1308 224.185,1309 371.81,1310 538.771,1311 171156,1313 22.69,1314 0.688,1315 0.57,1316 23.043,1317 18.802,1318 16.097,1319 0.424,1320 0.309,1321 10.726,1322 15.077,1323 10.401,1324 8.55,1325 16.551,1326 11.757,1327 14.693,1328 0.258,1329 0.161,1330 15.363,1331 9.191,1332 13.727,1333 0.158,1334 0.083,1335 14.345,1336 7.25,1337 12.429,1338 0.094,1339 0.041,1340 12.849,1341 5.429,1342 10.742,1343 0.058,1344 0.021,1345 11.063,1346 3.933,1347 0.268,1348 104.697,1349 0.197,1350 29.74,1351 0.522,1352 190,1353 518.224,1354 228.87,1355 527.384,1356 742.31,1357 496,1358 239,1359 555.555,1360 272.033,1361 574.752,1362 866.52,1363 544,1364 5.409}
{0 CHEMBL488646,1 1.485,2 10.879,3 3.931,4 15.454,5 127.056,6 7.152,7 0.444,8 4.236,9 4.343,10 3.77,11 3.726,12 5.323,13 3.715,14 4.792,15 4.963,16 4.148,17 4.113,18 5.827,19 4.1,20 4.942,21 5.08,22 4.245,23 4.291,24 6.015,25 4.249,26 5.13,27 5.332,28 4.307,29 4.376,30 6.125,31 4.311,32 5.214,33 5.422,34 4.308,35 4.405,36 6.201,37 4.347,38 5.194,39 5.377,40 4.34,41 4.442,42 6.269,43 4.366,44 5.274,45 5.506,46 4.244,47 4.415,48 6.262,49 4.314,50 5.168,51 5.382,52 4.079,53 4.302,54 6.214,55 4.194,56 0.028,57 0.854,58 13.727,59 6.096,60 11.529,61 7.767,62 0.464,63 1.349,64 27.079,65 9.662,66 37.262,67 12.558,68 0.506,69 1.583,70 30.335,71 12.071,72 38.242,73 15.331,74 0.381,75 1.882,76 37.832,77 14.295,78 46.451,79 19.542,80 0.656,81 2.008,82 42.578,83 14.187,84 56.577,85 19.194,86 0.674,87 1.981,88 40.249,89 15.396,90 65.75,91 20.619,92 0.671,93 2.059,94 45.541,95 16.248,96 69.647,97 22.578,98 0.721,99 1.837,100 40.895,101 14.38,102 88.032,103 19.498,104 68,105 53,106 0.238,107 0.565,108 0.711,109 0.752,110 0.764,111 0.785,112 3.533,113 0.901,114 -3.5,115 -3.47,116 -3.32,118 41.3,119 3,123 3,124 1,125 1,128 1,133 2,138 6,139 3,140 3,147 1,148 1,153 1,167 10,170 1,171 9,173 1,175 2,178 14,181 2,182 9,186 2,188 9,191 1,192 16,197 3,199 7,204 8,206 1,208 1,211 6,214 3,215 8,218 2,220 2,223 14,227 1,228 6,231 2,233 1,235 14,239 3,240 6,247 8,251 1,252 5,257 3,260 3,264 1900,265 22.058,266 22.058,267 22.058,268 22.058,269 22.058,270 19.908,271 27.342,272 12.536,273 22.834,274 17.573,275 17.573,276 17.573,277 17.573,278 17.573,279 13.924,280 36.51,281 5.643,282 18.517,283 4.493,284 2.449,285 1.537,286 1.279,287 1.203,288 1.072,289 4.221,293 1,294 1,295 756,296 4.062,299 153.14,300 183.914,303 129.753,307 1.647,308 30.747,311 1,312 0.83,313 1,314 1,315 0.5,316 1,317 1,318 0.9,319 72,320 359,321 4.746,322 3.686,323 7.02,324 4.33,325 3.344,326 4.656,327 1.081,328 12.033,329 3.305,330 4.506,331 3.444,332 6.67,333 4.089,334 3.132,335 4.202,336 1.041,337 10.757,338 3.016,339 4.278,340 3.356,341 6.479,342 4.027,343 3.079,344 3.804,345 0.86,346 10.061,347 2.901,348 4.097,349 3.236,350 6.394,351 3.866,352 2.908,353 3.109,354 0.86,355 9.943,356 2.767,357 3.555,358 2.719,359 5.792,360 3.206,361 2.232,362 2.883,363 0.86,364 7.65,365 2.172,366 3.371,367 2.555,368 5.19,369 2.972,370 2.061,371 2.711,372 0.473,373 6.118,374 1.936,375 3.355,376 2.327,377 5.181,378 2.966,379 1.995,380 2.604,382 6.009,383 1.87,384 3.335,385 2.141,386 5.024,387 2.911,388 1.93,389 2.564,391 5.581,392 1.867,393 2.902,394 1.939,395 4.458,396 2.413,397 1.406,398 2,400 3.877,401 1.412,402 2.658,403 1.678,404 3.963,405 2.181,406 1.208,407 1.707,409 2.83,410 1.171,411 2.32,412 1.374,413 3.665,414 2.027,415 1.176,416 1.253,417 2.739,418 0.995,419 2.197,420 1.195,421 3.591,422 1.861,423 0.898,424 1.136,425 2.278,426 0.859,427 1.989,428 1.092,429 3.567,430 1.733,431 0.81,432 0.921,433 1.91,434 0.742,435 1.666,436 0.944,437 3.255,438 1.361,439 0.467,440 0.548,441 1.145,442 0.414,443 1.576,444 0.916,445 2.859,446 1.27,447 0.396,448 0.452,449 0.603,450 0.342,451 15.467,452 0.469,453 0.99,454 0.03,455 40,456 1.212,457 18.5,458 0.561,459 21.5,460 0.652,461 33.077,462 1.002,463 36.733,464 0.583,465 35.047,466 1.062,467 8.188,468 0.248,469 7.58,470 0.23,471 0.216,472 0.032,473 0.349,478 0.845,479 1.389,480 0.809,481 1.232,482 0.711,483 1.044,484 1.261,485 0.78,486 0.804,487 0.683,488 0.781,489 0.658,490 1.132,491 1.181,492 1.071,493 1.135,494 1.052,495 1.103,496 0.792,497 1.188,498 0.84,499 1.086,500 0.808,501 0.989,502 1.287,503 0.903,504 1.044,505 0.862,506 1.111,507 0.888,508 0.831,509 1.188,510 1.016,511 1.182,512 0.978,513 1.146,514 0.84,515 1.014,516 0.935,517 1.017,518 0.903,519 0.997,520 1.097,521 1.08,522 1.183,523 1.124,524 1.761,525 1.163,526 7.5,527 0.189,528 4.222,529 3.139,530 2.292,531 1.552,532 1.449,533 0.729,534 0.573,535 0.474,536 13106,537 33447,538 2.018,539 47.6,541 17,542 3,544 1,546 9,549 1.76,550 1.842,551 3.4,552 -0.382,554 1,558 93.541,559 1.485,560 3.528,561 4.44,562 4.698,563 4.774,564 4.905,565 2.89,566 4.476,567 5.014,568 3.578,569 1889.06,570 8.825,571 27022.3,573 1,576 376.569,577 1.681,578 4.943,579 0.208,580 0.007,581 0.08,582 0.056,583 0.039,584 0.026,585 0.025,586 0.014,587 0.013,588 0.013,589 0.481,590 0.33,591 1,592 1.302,593 171.679,594 -0.022,595 -0.194,596 0.071,597 -0.118,598 -0.072,599 -0.024,600 -0.078,601 0.307,602 0.181,603 0.326,604 0.042,605 0.306,606 -0.015,607 -0.093,608 -0.125,609 -0.072,610 -0.087,611 -0.113,612 0.055,613 -0.148,614 0.106,615 -0.064,616 0.073,617 0.015,618 -0.179,619 0.155,620 -0.049,621 0.103,622 -0.09,623 0.064,624 0.127,625 -0.142,626 -0.066,627 -0.153,628 0.09,629 -0.151,630 0.058,631 -0.026,632 0.038,633 -0.03,634 0.109,635 -0.004,636 -0.041,637 -0.079,638 -0.198,639 -0.14,640 -0.15,641 -0.19,642 1.804,643 5.999,644 0.606,645 32.507,646 1.003,647 1.125,648 2.268,649 5.145,650 0.65,651 3.611,652 3.989,653 4.29,654 4.625,655 4.868,656 5.05,657 5.268,658 5.421,659 5.46,660 5.541,661 6.59,662 0.619,663 450.58,664 3.611,665 5.187,666 6.061,667 6.982,668 7.881,669 8.808,670 9.719,671 10.647,672 11.565,673 12.495,674 3.2,681 1,682 1,689 2,690 7,695 5,696 1,697 16,714 3,716 63,718 18,719 2,720 36,722 66,723 26,724 14,725 6,726 6,727 3,728 4,729 5,732 3,740 17,741 9,742 1,744 2,749 1,753 3,757 1,760 30,761 6,762 1,763 7,769 2,775 0.75,776 5,789 1,793 2,794 2,797 1,807 1,812 2,818 1,819 3,823 6,827 33,833 2,834 1,835 4,839 1,850 7.9,853 1,854 1,855 3,858 17.917,859 13.367,860 7.292,861 3.488,863 3.465,864 1.426,865 0.954,866 6.638,867 11.604,868 3.85,869 4.497,870 5.142,871 5.792,872 6.352,873 6.785,874 7.274,875 7.707,876 7.976,877 8.375,878 1,879 56,880 12.212,881 5.129,882 7.694,883 23.321,884 18.879,885 2.194,886 72.417,889 1,890 341.362,891 169.193,892 19.91,894 69.144,897 169.193,898 410.506,899 19.91,900 59.125,901 24.28,902 65.905,903 40.849,904 65.944,905 37.457,906 306.049,908 341.362,909 189.103,910 69.144,913 235.422,914 164.085,915 11,917 52.655,918 136.448,921 341.362,922 89.054,923 169.193,926 341.362,927 44.164,928 126.929,929 18.011,930 69.144,931 341.362,932 89.054,933 169.193,935 0.587,936 0.347,937 0.199,938 0.111,939 26,940 13,941 0.121,942 8,943 1,944 1.1,945 4.081,946 323.916,947 0.1,948 20,949 153.71,954 23.519,955 9.313,956 4.57,957 2.11,958 87.155,959 13.823,964 3.182,965 2.082,966 18.011,967 599.61,968 46,973 12.999,977 1.371,980 63.211,981 70.856,983 0.248,984 0.59,985 0.743,986 0.786,987 0.799,988 0.821,989 5.13,990 1.93,991 6.103,992 6.009,993 4.673,994 5.185,995 2.341,996 7.006,997 4.585,998 6.38,999 1.406,1000 7.724,1001 5.581,1002 4.511,1003 5.207,1005 8.201,1006 4.407,1007 7.735,1008 1.208,1009 9.448,1010 3.877,1011 6.395,1012 7.479,1013 2.247,1014 11.258,1015 6.243,1016 9.128,1017 1.176,1018 11.23,1019 2.83,1020 7.022,1021 8.306,1023 13.209,1024 6.845,1025 10.552,1026 0.898,1027 13.049,1028 2.739,1029 8.431,1030 10.105,1031 2.218,1032 15.842,1033 8.224,1034 11.998,1035 0.81,1036 14.89,1037 2.278,1038 9.377,1039 11.298,1041 18.079,1042 9.144,1043 13.461,1044 0.467,1045 16.747,1046 1.91,1047 10.625,1048 12.918,1049 2.229,1050 20.58,1051 10.368,1052 3.344,1053 0.396,1054 18.616,1055 1.145,1056 11.701,1057 14.282,1059 22.934,1060 11.422,1061 3.132,1062 12.033,1063 20.495,1064 0.603,1065 12.893,1066 15.833,1067 2.269,1068 25.395,1069 12.595,1070 3.079,1071 10.757,1072 22.38,1073 4.656,1074 14.023,1075 17.277,1077 27.801,1078 13.706,1079 2.908,1080 10.061,1081 24.271,1082 4.202,1083 15.198,1084 18.803,1085 2.333,1086 30.252,1087 14.864,1088 2.232,1089 9.943,1090 26.168,1091 3.804,1092 16.352,1093 20.286,1095 32.685,1096 16.002,1097 2.061,1098 7.65,1099 28.068,1100 3.109,1101 17.523,1102 21.804,1103 2.415,1104 35.138,1105 17.16,1106 1.995,1107 6.118,1108 29.972,1109 2.883,1110 18.688,1111 23.307,1113 37.586,1114 18.313,1115 12919,1116 20813,1117 23.175,1118 40.943,1119 55.023,1120 57.162,1121 58.052,1122 54.415,1123 54.698,1124 69.762,1125 10.349,1126 167.859,1127 52.052,1128 5.668,1129 5.686,1130 6.699,1131 5.405,1132 5.344,1133 7.656,1134 2.162,1135 19.743,1136 5.305,1137 20.415,1138 1.528,1139 1.588,1140 1.613,1141 1.512,1142 1.519,1143 1.938,1144 0.287,1145 4.663,1146 1.446,1147 4.17,1148 4.198,1149 4.137,1150 4.089,1151 7.429,1152 4.097,1153 3.96,1154 3.972,1155 3.927,1156 3.872,1157 4.993,1158 3.882,1159 3.729,1160 3.773,1161 3.667,1162 3.568,1163 4.924,1164 3.585,1165 3.705,1166 3.738,1167 3.583,1168 3.555,1169 4.618,1170 3.553,1171 3.421,1172 3.483,1173 3.313,1174 3.261,1175 4.58,1176 3.27,1177 3.303,1178 3.355,1179 3.144,1180 3.006,1181 4.472,1182 3.026,1183 3.235,1184 3.304,1185 3.054,1186 2.963,1187 4.394,1188 2.971,1189 3.172,1190 3.253,1191 2.956,1192 2.892,1193 4.199,1194 2.896,1195 0.132,1196 0.102,1197 0.195,1198 0.12,1199 0.093,1200 4.746,1201 0.129,1202 3.686,1203 0.03,1204 7.02,1205 0.334,1206 4.33,1207 0.092,1208 3.344,1209 4.656,1210 1.081,1211 12.033,1212 3.305,1213 1.96,1214 1.945,1215 2.04,1216 2.037,1217 1.217,1218 2.037,1219 1.892,1220 1.877,1221 1.969,1222 2.006,1223 1.14,1224 1.991,1225 1.713,1226 1.667,1227 1.946,1228 1.905,1229 1.104,1230 1.917,1231 1.616,1232 1.578,1233 1.75,1234 1.772,1235 0.949,1236 1.772,1237 1.344,1238 1.31,1239 1.59,1240 1.627,1241 0.752,1242 1.595,1243 1.309,1244 1.238,1245 1.577,1246 1.558,1247 0.587,1248 1.565,1249 1.227,1250 1.163,1251 1.562,1252 1.557,1253 0.584,1254 1.563,1255 1.172,1256 1.09,1257 1.547,1258 1.503,1259 0.568,1260 1.522,1261 4.29,1263 5.652,1264 3.045,1265 7.204,1266 5.476,1267 8.844,1268 7.636,1269 10.534,1271 10.78,1277 0.844,1278 2.984,1279 22.508,1283 -0.267,1289 38.992,1290 93.541,1291 222.28,1292 279.736,1293 296,1294 300.755,1295 309.02,1296 62.634,1297 8.139,1298 70.95,1299 70.95,1300 22,1301 13,1302 4.248,1303 3.459,1304 53.959,1305 128,1306 127,1307 0.207,1308 237.821,1309 418.41,1310 572.043,1311 38203,1313 23.75,1314 0.72,1315 0.604,1316 23.75,1317 19.944,1318 15.768,1319 0.438,1320 0.3,1321 10.59,1322 14.951,1323 10.083,1324 8.477,1325 15.768,1326 10.81,1327 14.807,1328 0.279,1329 0.167,1330 14.807,1331 8.866,1332 12.014,1333 0.167,1334 0.079,1335 12.014,1336 5.658,1337 10.551,1338 0.104,1339 0.041,1340 10.551,1341 4.1,1342 8.636,1343 0.067,1344 0.022,1345 8.636,1346 2.845,1347 0.317,1348 100.412,1349 0.208,1350 29.935,1351 0.595,1352 178,1353 538.656,1354 197.303,1355 502.59,1356 690.25,1357 474,1358 214,1359 505.586,1360 233.834,1361 516.767,1362 758.07,1363 478,1364 4.699}
{0 CHEMBL488840,1 1.575,2 12.4,3 3.507,4 12.297,5 122.64,6 7.731,7 0.667,8 4.069,9 4.196,10 3.807,11 3.738,12 5.156,13 3.638,14 4.58,15 4.762,16 4.096,17 4.108,18 5.676,19 4.006,20 4.792,21 4.967,22 4.128,23 4.216,24 5.931,25 4.115,26 4.915,27 5.147,28 3.99,29 4.203,30 5.919,31 4.066,32 4.89,33 5.154,34 3.826,35 4.072,36 5.796,37 3.93,38 4.74,39 5.022,40 3.863,41 3.949,42 5.657,43 3.844,44 4.562,45 4.763,46 3.891,47 3.931,48 5.635,49 3.848,50 4.628,51 4.882,52 3.814,53 3.899,54 5.64,55 3.769,56 0.056,57 0.834,58 12.612,59 5.66,60 13.54,61 6.409,62 0.237,63 1.343,64 25.394,65 10.313,66 24.33,67 11.171,68 0.281,69 1.563,70 26.445,71 10.82,72 45.691,73 13.076,74 0.29,75 1.689,76 31.509,77 12.372,78 43.599,79 16.107,80 0.248,81 1.585,82 31.139,83 11.294,84 43.167,85 15.872,86 0.311,87 1.411,88 28.547,89 9.528,90 35.269,91 12.978,92 0.204,93 1.284,94 20.469,95 6.932,96 27.135,97 9.336,98 0.316,99 1.305,100 24.799,101 8.053,102 38.664,103 10.677,104 27,105 48,106 0.257,107 0.602,108 0.75,109 0.791,110 0.791,111 0.791,112 3.44,113 1.116,114 -5.85,115 -5.71,116 -5.32,118 42.6,119 2,123 2,132 1,134 1,138 7,139 3,140 2,142 1,143 1,144 1,155 1,156 1,167 11,170 3,171 1,173 1,175 2,178 14,181 2,182 3,184 1,186 2,188 13,191 1,192 8,195 2,199 4,204 10,215 12,218 1,220 1,228 13,233 1,239 1,240 4,245 2,247 2,251 1,252 4,257 4,260 4,264 1522,265 19.833,266 19.833,267 19.833,268 19.833,269 19.833,270 16.851,271 19.081,272 11.385,273 20.178,274 16.261,275 16.261,276 16.261,277 16.261,278 16.261,279 11.784,280 24.412,281 5.349,282 16.833,283 4.179,284 2.064,285 1.161,286 0.908,287 0.908,288 0.908,289 4.133,293 1,294 1,295 798,296 3.674,299 66.008,300 274.97,303 125.128,307 2.267,308 21.632,311 0.75,312 0.83,313 1,314 0.6,315 0.5,316 1,317 1,318 0.81,319 63.167,320 372,321 4.625,322 3.316,323 7.111,324 4.313,325 3.314,326 4.584,327 0.4,328 11.657,329 3.313,330 4.609,331 3.221,332 6.714,333 4.103,334 3.165,335 4.132,337 10.916,338 2.985,339 4.343,340 3.075,341 6.39,342 3.957,343 2.959,344 4.019,346 9.635,347 2.937,348 3.924,349 2.722,350 5.773,351 3.522,352 2.573,353 3.397,355 7.938,356 2.449,357 3.67,358 2.321,359 5.301,360 3.19,361 2.241,362 3.124,364 6.707,365 2.116,366 3.232,367 2.147,368 4.841,369 2.879,370 1.879,371 2.481,373 5.104,374 1.879,375 3.114,376 1.733,377 4.631,378 2.636,379 1.66,380 2.332,382 4.776,383 1.62,384 3.046,385 1.567,386 4.492,387 2.53,388 1.547,389 2.288,391 4.247,392 1.524,393 3.001,394 1.546,395 4.123,396 2.453,397 1.54,398 2.173,400 3.69,401 1.4,402 2.786,403 1.394,404 4.024,405 2.294,406 1.343,407 1.895,409 3.494,410 1.273,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,417 2.275,418 1,419 2.446,420 0.953,421 3.376,422 1.845,423 0.912,424 1.354,425 2.095,426 0.849,427 2.198,428 0.84,429 3.257,430 1.67,431 0.714,432 0.997,433 1.695,434 0.682,435 1.405,436 0.304,437 2.962,438 1.066,439 0.12,440 0.147,441 0.311,442 0.113,443 1.251,444 0.06,445 2.648,446 0.867,447 -0.098,448 -0.128,449 -0.242,450 -0.095,451 14.833,452 0.494,453 0.932,454 0.031,455 43,456 1.433,457 23.5,458 0.783,459 19.5,460 0.65,461 24.117,462 0.804,463 30.767,464 0.57,465 31.753,466 1.058,467 8.102,468 0.27,469 6.224,470 0.207,471 0.157,472 0.067,473 0.297,478 0.864,479 1.333,480 0.865,481 1.18,482 0.762,483 0.943,484 0.767,485 0.968,486 1.202,487 1.336,488 0.725,489 0.848,490 1.276,491 1.167,492 1.072,493 1.075,494 1.542,495 1.119,496 0.841,497 1.083,498 0.976,499 1.005,500 0.857,501 1.119,502 0.885,503 1.092,504 0.794,505 0.824,506 0.822,507 1.022,508 0.854,509 0.827,510 0.646,511 0.567,512 0.397,513 0.605,514 1.366,515 1.237,516 0.952,517 0.879,518 0.913,519 1.014,520 1.241,521 0.918,522 0.917,523 0.762,524 0.86,525 0.858,526 7,527 0.254,528 4.444,529 2.319,530 1.374,531 0.882,532 0.598,533 0.559,534 0.36,535 0.268,536 12518,537 31046,538 2.059,539 44.4,540 6,541 14,542 1,543 2,544 1,549 1.725,550 1.905,551 3.542,552 -0.349,554 1,558 85.073,559 1.575,560 3.69,561 4.594,562 4.847,563 4.847,564 4.847,565 3.057,566 4.415,567 4.876,568 3.798,569 1652.34,570 8.489,571 23524.2,573 1,576 310.764,577 1.615,578 4.82,579 0.212,580 0.011,581 0.093,582 0.048,583 0.034,584 0.026,585 0.016,586 0.015,587 0.011,588 0.009,589 0.475,590 0.17,591 0.88,592 0.758,593 155.938,594 -0.091,595 -0.178,596 0.169,597 0.014,598 -0.166,599 0.014,600 0.231,601 0.152,602 -0.017,603 -0.047,604 0.141,605 0.124,606 -0.046,607 -0.122,608 -0.171,609 -0.138,610 -0.126,611 -0.186,612 0.048,613 -0.105,614 -0.102,615 -0.136,616 -0.018,617 -0.149,618 -0.051,619 -0.164,620 0.03,621 -0.049,622 -0.072,623 -0.041,624 0.078,625 0.159,626 0.264,627 0.257,628 0.169,629 0.358,630 -0.251,631 -0.124,632 -0.11,633 -0.072,634 -0.132,635 -0.125,636 -0.126,637 0.137,638 0.038,639 0.125,640 -0.02,641 0.069,642 3.079,643 5.209,644 0.7,645 33.582,646 0.993,647 1.122,648 4.623,649 21.368,650 0.7,651 3.526,652 3.892,653 4.143,654 4.369,655 4.543,656 4.644,657 4.754,658 4.913,659 5.024,660 5.136,661 7.463,662 0.648,663 417.49,664 3.526,665 5.094,666 5.948,667 6.838,668 7.707,669 8.598,670 9.471,671 10.363,672 11.24,673 12.132,674 9.3,682 2,684 3,689 2,690 9,691 3,695 6,696 1,697 22,709 1,716 54,718 24,719 2,720 33,722 57,723 23,724 17,725 5,726 7,727 2,728 4,729 5,732 2,740 19,741 4,744 2,749 1,751 2,755 1,757 1,760 24,761 5,762 1,763 7,764 1,766 1,769 5,775 0.75,776 1,782 1,783 1,788 1,793 1,794 3,797 1,811 1,819 3,823 4,827 30,834 1,850 1.9,853 1,858 15.75,859 11.083,860 6.389,861 3.031,862 1,863 5.05,864 1.638,865 1.018,866 5.493,867 12.969,868 3.85,869 4.525,870 5.135,871 5.736,872 6.251,873 6.592,874 7.01,875 7.493,876 7.869,877 8.324,878 1,879 48,880 11.116,881 4.769,882 7.655,883 21.367,884 17.783,885 2.155,886 64.639,889 1,890 281.613,891 150.594,892 70.266,894 20.263,896 10.877,897 150.594,898 290.999,899 70.266,900 29.642,901 19.925,902 75.81,903 104.496,904 43.342,905 14.099,906 235.422,908 270.735,909 220.861,910 20.263,911 10.877,913 270.735,914 20.263,917 58.657,918 102.371,919 70.71,921 270.735,922 90.53,923 150.594,924 10.877,925 10.877,926 270.735,927 18.857,928 133.636,929 18.011,930 70.62,931 270.735,932 90.53,933 161.472,935 0.598,936 0.344,937 0.174,938 0.086,939 24,940 11,941 0.088,942 5,943 1,944 1.095,945 4.134,946 266.377,947 0.095,948 21,949 131.207,954 20.38,955 8.086,956 4.348,957 1.405,958 88.631,959 17.098,960 13.273,964 5.966,965 1.89,966 18.011,967 522.737,968 46,973 12.209,975 4.045,979 -2.273,980 53.647,981 60.577,983 0.274,984 0.641,985 0.798,986 0.842,987 0.842,988 0.842,989 5.097,990 1.547,991 5.979,992 4.776,993 4.575,994 5.212,995 0.278,996 6.836,997 4.511,998 6.358,999 1.54,1000 7.579,1001 4.247,1002 4.369,1003 5.182,1005 8.003,1006 4.303,1007 7.706,1008 1.343,1009 9.29,1010 3.69,1011 6.263,1012 7.524,1013 0.05,1014 11.021,1015 6.151,1016 9.094,1017 1,1018 11.066,1019 3.494,1020 6.858,1021 8.299,1023 12.981,1024 6.747,1025 10.514,1026 0.912,1027 12.885,1028 2.275,1029 8.278,1030 10.138,1031 0.008,1032 15.581,1033 8.134,1034 11.956,1035 0.714,1036 14.733,1037 2.095,1038 9.206,1039 11.283,1041 17.827,1042 9.061,1043 13.416,1044 0.12,1045 16.6,1046 1.695,1047 10.459,1048 12.918,1049 0.001,1050 20.303,1051 10.292,1052 3.314,1053 -0.098,1054 18.483,1055 0.311,1056 11.526,1057 14.241,1059 22.658,1060 11.355,1061 3.165,1062 11.657,1063 20.376,1064 -0.242,1065 12.721,1066 15.79,1068 25.097,1069 12.535,1070 2.959,1071 10.916,1072 22.279,1073 4.584,1074 13.846,1075 17.199,1077 27.494,1078 13.655,1079 2.573,1080 9.635,1081 24.188,1082 4.132,1083 15.021,1084 18.713,1086 29.925,1087 14.821,1088 2.241,1089 7.938,1090 26.103,1091 4.019,1092 16.172,1093 20.166,1095 32.342,1096 15.967,1097 1.879,1098 6.707,1099 28.023,1100 3.397,1101 17.343,1102 21.667,1104 34.772,1105 17.132,1106 1.66,1107 5.104,1108 29.947,1109 3.124,1110 18.507,1111 23.143,1113 37.199,1114 18.292,1115 11988,1116 19059,1117 21.671,1118 37.779,1119 50.769,1120 50.104,1121 51.362,1122 49.852,1123 49.933,1124 68.844,1125 0.8,1126 149.083,1127 48.279,1128 5.397,1129 5.316,1130 6.657,1131 5.395,1132 5.314,1133 7.584,1134 0.8,1135 18.832,1136 5.313,1137 16.637,1138 1.538,1139 1.518,1140 1.556,1141 1.511,1142 1.513,1143 2.086,1144 0.024,1145 4.518,1146 1.463,1147 4.114,1148 4.164,1149 4.495,1150 4.186,1151 7.385,1152 3.999,1153 3.97,1154 3.997,1155 4.081,1156 3.955,1157 5.168,1158 3.921,1159 3.936,1160 3.967,1161 3.883,1162 3.847,1163 4.758,1164 3.856,1165 3.608,1166 3.657,1167 3.698,1168 3.632,1169 4.722,1170 3.507,1171 3.416,1172 3.479,1173 3.352,1174 3.262,1175 4.544,1176 3.269,1177 3.266,1178 3.35,1179 3.067,1180 3.125,1181 4.185,1182 3.101,1183 3.137,1184 3.205,1185 3.039,1186 2.957,1187 4.036,1188 2.97,1189 3.009,1190 3.108,1191 2.887,1192 2.811,1193 3.966,1194 2.798,1195 0.14,1196 0.1,1197 0.215,1198 0.131,1199 0.1,1200 4.625,1201 0.139,1202 3.316,1203 0.012,1204 7.111,1205 0.353,1206 4.313,1207 0.1,1208 3.314,1209 4.584,1210 0.4,1211 11.657,1212 3.313,1213 1.984,1214 1.959,1215 2.079,1216 2.06,1217 1.319,1218 2.07,1219 1.966,1220 1.942,1221 1.999,1222 2.02,1223 1.221,1224 2.052,1225 1.786,1226 1.742,1227 1.816,1228 1.924,1229 0.959,1230 1.933,1231 1.594,1232 1.547,1233 1.672,1234 1.727,1235 0.865,1236 1.76,1237 1.49,1238 1.432,1239 1.639,1240 1.619,1241 0.719,1242 1.678,1243 1.303,1244 1.226,1245 1.622,1246 1.507,1247 0.636,1248 1.557,1249 1.126,1250 1.059,1251 1.449,1252 1.324,1253 0.492,1254 1.367,1255 1.018,1256 0.926,1257 1.417,1258 1.264,1259 0.469,1260 1.308,1261 4.205,1263 5.557,1264 2.398,1265 7.096,1266 4.727,1267 8.717,1268 6.843,1269 10.378,1271 7.734,1278 3.29,1289 35.013,1290 85.073,1291 199.284,1292 248.093,1293 261.744,1294 261.744,1295 261.744,1296 51.295,1297 7.919,1298 72.7,1299 82.51,1300 23,1301 12.662,1302 4.644,1303 3.807,1304 47.233,1305 134,1306 118,1307 0.171,1308 221.516,1309 368,1310 532.259,1311 33234,1313 21.303,1314 0.71,1315 0.613,1316 21.553,1317 18.39,1318 14.326,1319 0.434,1320 0.372,1321 9.811,1322 13.152,1323 9.131,1324 7.692,1325 15.22,1326 12.275,1327 13.802,1328 0.288,1329 0.227,1330 15.189,1331 10.908,1332 11.103,1333 0.179,1334 0.106,1335 11.86,1336 6.596,1337 9.119,1338 0.117,1339 0.054,1340 9.635,1341 4.205,1342 6.826,1343 0.073,1344 0.027,1345 7.194,1346 2.482,1347 0.274,1348 96.848,1349 0.215,1350 28.615,1351 0.458,1352 162,1353 424.261,1354 203.534,1355 437.073,1356 609.29,1357 408,1358 191,1359 447.014,1360 237.933,1361 480.847,1362 695.08,1363 448,1364 7.523}
{0 CHEMBL489083,1 1.665,2 10.219,3 4.614,4 21.29,5 124.701,6 8.658,7 0.649,8 4.076,9 4.181,10 3.817,11 3.711,12 5.24,13 3.688,14 4.595,15 4.723,16 4.258,17 4.148,18 5.749,19 4.112,20 4.87,21 5.034,22 4.354,23 4.318,24 5.98,25 4.273,26 4.962,27 5.119,28 4.419,29 4.378,30 6.204,31 4.348,32 5,33 5.164,34 4.418,35 4.365,36 6.225,37 4.337,38 4.967,39 5.137,40 4.358,41 4.295,42 6.232,43 4.247,44 4.883,45 5.077,46 4.086,47 4.151,48 6.059,49 4.077,50 4.758,51 4.962,52 3.9,53 4.039,54 6.033,55 3.889,56 0.061,57 0.786,58 8.207,59 4.255,60 12.625,61 4.773,62 0.24,63 1.334,64 18.044,65 7.674,66 20.218,67 8.883,68 0.385,69 1.692,70 27.692,71 10.984,72 33.867,73 12.665,74 0.523,75 1.787,76 26.935,77 10.909,78 78.635,79 12.586,80 0.383,81 1.815,82 26.76,83 11.246,84 61.472,85 12.622,86 0.515,87 1.744,88 29.042,89 11.47,90 69.908,91 12.319,92 0.439,93 1.584,94 27.038,95 10.477,96 61.776,97 12.199,98 0.456,99 1.378,100 24.808,101 10.629,102 103.051,103 12.903,104 22,105 56,106 0.271,107 0.614,108 0.737,109 0.835,110 0.884,111 0.897,112 3.504,113 0.919,114 -3.41,115 -3.39,116 -3.25,118 47.1,120 1,124 2,138 9,139 3,147 1,148 5,153 2,154 1,158 1,159 1,160 1,167 10,170 2,171 8,174 1,175 2,177 1,178 12,180 1,181 5,182 5,188 10,191 3,192 8,197 2,199 7,201 1,204 19,211 8,215 18,217 1,218 2,223 8,228 11,235 14,240 1,242 2,243 4,247 8,254 2,255 4,260 8,264 1614,265 21.966,266 21.966,267 21.966,268 21.966,269 21.966,270 19.001,271 10.88,272 12.676,273 22.545,274 18.288,275 18.288,276 18.288,277 18.288,278 18.288,279 13.505,280 9.989,281 6.016,282 19.206,283 4.007,284 1.897,285 1.138,286 0.539,287 0.235,288 0.157,289 4.225,293 1,294 1,295 742,296 3.674,299 107.564,300 96.686,301 46.07,303 138.67,304 207.908,305 78.603,306 87.429,307 1.594,308 34.362,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 68.5,320 327,321 4.984,322 4.455,323 7.389,324 4.513,325 3.552,326 5.13,327 3.639,328 13.441,329 3.413,330 4.561,331 3.986,332 6.809,333 4.082,334 3.101,335 4.579,336 1.349,337 11.193,338 3.04,339 4.449,340 3.351,341 6.774,342 4.03,343 3.066,344 4.05,345 0.8,346 11.103,347 2.956,348 3.873,349 3.292,350 5.98,351 3.369,352 2.391,353 3.539,354 0.42,355 8.211,356 2.34,357 3.607,358 3.01,359 5.827,360 3.217,361 2.279,362 2.975,364 7.717,365 2.142,366 3.547,367 2.827,368 5.581,369 3.08,370 2.209,371 2.884,373 6.854,374 2.077,375 3.521,376 2.445,377 5.004,378 3.036,379 2.074,380 2.709,382 5.182,383 1.801,384 3.148,385 2.335,386 4.764,387 2.653,388 1.642,389 2.32,391 5.043,392 1.643,393 3.046,394 1.906,395 4.658,396 2.551,397 1.573,398 2.304,400 4.557,401 1.544,402 2.932,403 1.886,404 4.546,405 2.534,406 1.544,407 2.094,409 4.055,410 1.516,411 2.772,412 1.547,413 3.955,414 2.313,415 1.348,416 1.902,417 2.971,418 1.292,419 2.604,420 1.46,421 3.701,422 2.259,423 1.269,424 1.62,425 2.904,426 1.253,427 2.503,428 1.282,429 3.611,430 2.034,431 1.062,432 1.477,433 2.743,434 1.029,435 2.118,436 1.08,437 3.525,438 1.631,439 0.678,440 0.911,441 1.708,442 0.634,443 2.049,444 0.875,445 3.347,446 1.597,447 0.605,448 0.882,449 1.563,450 0.599,451 15.5,452 0.484,453 0.871,454 0.027,455 44.25,456 1.383,457 22.5,458 0.703,459 21.75,460 0.68,461 27.631,462 0.863,463 31.9,464 0.625,465 36.31,466 1.135,467 8.349,468 0.261,469 7.209,470 0.225,471 0.095,473 0.432,478 0.769,479 1.126,480 0.681,481 0.811,482 0.656,483 0.761,484 0.598,485 1.161,486 0.871,487 1.03,488 0.475,489 0.877,490 0.777,491 0.941,492 0.998,493 1.004,494 0.76,495 0.869,496 1.063,497 0.976,498 0.849,499 0.878,500 1.042,501 0.877,502 1.443,503 0.991,504 0.808,505 0.858,506 1.384,507 0.9,508 1.53,509 0.903,510 0.951,511 0.952,512 1.556,513 0.978,514 1.446,515 0.98,516 0.972,517 0.972,518 1.365,519 1.08,520 0.87,521 1.024,522 1.087,523 1.128,524 0.922,525 1.284,526 4.5,527 0.153,528 3.556,529 3.465,530 2.471,531 1.8,532 1.114,533 0.606,534 0.263,535 0.146,536 12569,537 35398,538 2.19,539 37.3,541 13,542 1,544 3,547 2,549 1.753,550 2.043,551 3.208,552 0.853,558 84.934,559 1.665,560 3.775,561 4.534,562 5.133,563 5.437,564 5.516,565 2.75,566 4.664,567 4.959,568 3.437,569 1704.6,570 8.733,571 22696.6,573 1,576 289.294,577 1.419,578 4.932,579 0.122,580 0.008,581 0.063,582 0.054,583 0.036,584 0.027,585 0.02,586 0.014,587 0.008,588 0.007,589 0.359,590 0.33,591 0.88,592 1.313,593 162.021,594 -0.09,595 -0.054,596 0.049,597 0.058,598 -0.092,599 0.059,600 0.15,601 -0.096,602 0.025,603 -0.074,604 0.072,605 -0.003,606 0.114,607 0.087,608 -0.046,609 -0.029,610 -0.011,611 0.059,612 0.039,613 0.019,614 -0.048,615 -0.002,616 0.023,617 0.016,618 -0.195,619 -0.017,620 -0.026,621 -0.002,622 -0.118,623 -0.005,624 -0.166,625 0.068,626 -0.045,627 -0.026,628 -0.121,629 -0.06,630 -0.218,631 -0.045,632 -0.114,633 -0.073,634 -0.11,635 -0.121,636 0.126,637 -0.122,638 -0.095,639 -0.122,640 0.201,641 -0.253,642 1.963,643 6.667,644 0.719,645 30.645,646 1.008,647 1.112,648 2.183,649 4.764,650 0.724,651 3.638,652 4.043,653 4.454,654 4.883,655 5.226,656 5.533,657 5.849,658 6.129,659 6.333,660 6.509,661 5.981,662 0.694,663 441.55,664 3.638,665 5.231,666 6.151,667 7.098,668 8.047,669 9.009,670 9.972,671 10.941,672 11.911,673 12.885,674 9.8,675 1,681 1,682 2,683 1,689 6,690 10,695 2,697 24,716 51,718 27,719 2,720 37,722 56,723 24,724 18,725 5,726 7,727 2,728 6,729 31,738 1,740 21,741 3,744 3,748 1,749 2,753 3,757 1,760 19,761 5,762 3,763 8,764 1,769 5,772 1,775 0.167,776 2,789 2,793 3,794 2,795 1,797 2,798 3,799 1,800 1,813 1,819 1,820 1,821 1,827 32,828 1,833 3,836 1,838 1,850 3.9,853 2,858 15.667,859 9.267,860 6.806,861 3.058,863 5.485,864 1.586,865 1.095,866 4.404,867 14.837,868 3.97,869 4.7,870 5.479,871 6.286,872 7.009,873 7.679,874 8.355,875 8.998,876 9.554,877 10.085,878 0.857,879 64,880 11.911,881 5.426,882 7.802,883 22.604,884 19.773,885 2.302,886 73.667,889 1,890 188.338,891 161.86,892 70.266,894 50.29,896 32.22,897 129.641,898 238.627,899 70.266,901 41.561,902 94.334,903 59.699,904 41.964,905 24.41,906 208.786,908 188.338,909 199.907,910 50.29,911 32.22,913 164.795,914 73.832,917 75.806,918 124.101,920 32.22,921 188.338,922 120.556,923 161.86,926 188.338,927 67.527,928 100.031,930 114.859,931 188.338,932 120.556,933 161.86,935 0.593,936 0.36,937 0.215,938 0.124,939 32,940 14,941 0.089,942 5,943 6,944 1.478,945 4.071,946 345.624,947 0.522,948 22,949 158,950 1,954 19.56,955 7.206,956 2.79,957 5.747,958 117.983,959 19.918,964 0.774,966 64.569,967 470.754,968 52,972 7.352,973 27.252,977 -0.557,980 51.425,981 56.737,983 0.294,984 0.666,985 0.799,986 0.905,987 0.959,988 0.972,989 5.242,990 1.642,991 6.172,992 5.182,993 4.727,994 5.389,995 3.453,996 7.116,997 4.648,998 6.504,999 1.573,1000 7.805,1001 5.043,1002 4.443,1003 5.447,1004 2.048,1005 8.26,1006 4.324,1007 7.867,1008 1.544,1009 9.544,1010 4.557,1011 6.431,1012 7.813,1013 5.792,1014 11.487,1015 6.281,1016 9.273,1017 1.348,1018 11.347,1019 4.055,1020 7.013,1021 8.755,1022 4.938,1023 13.495,1024 6.827,1025 10.718,1026 1.269,1027 13.19,1028 2.971,1029 8.486,1030 10.612,1031 8.312,1032 16.255,1033 8.27,1034 12.192,1035 1.062,1036 15.062,1037 2.904,1038 9.448,1039 11.939,1040 7.796,1041 18.599,1042 9.196,1043 13.687,1044 0.678,1045 16.955,1046 2.743,1047 10.747,1048 13.622,1049 10.853,1050 21.217,1051 10.463,1052 3.552,1053 0.605,1054 18.863,1055 1.708,1056 11.87,1057 15.114,1058 10.584,1059 23.695,1060 11.548,1061 3.101,1062 13.441,1063 20.784,1064 1.563,1065 13.116,1066 16.74,1067 13.398,1068 26.274,1069 12.759,1070 3.066,1071 11.193,1072 22.714,1073 5.13,1074 14.306,1075 18.301,1076 13.324,1077 28.808,1078 13.909,1079 2.391,1080 11.103,1081 24.653,1082 4.579,1083 15.54,1084 19.913,1085 15.946,1086 31.38,1087 15.106,1088 2.279,1089 8.211,1090 26.598,1091 4.05,1092 16.759,1093 21.504,1094 16.031,1095 33.94,1096 16.284,1097 2.209,1098 7.717,1099 28.548,1100 3.539,1101 17.996,1102 23.115,1103 18.496,1104 36.516,1105 17.481,1106 2.074,1107 6.854,1108 30.504,1109 2.975,1110 19.23,1111 24.721,1112 18.715,1113 39.089,1114 18.674,1115 11709,1116 19744,1117 25.085,1118 36.915,1119 58.122,1120 62.291,1121 60.17,1122 57.632,1123 57.6,1124 79.799,1125 12.416,1126 180.525,1127 55.308,1128 5.929,1129 6.455,1130 7.069,1131 5.59,1132 5.552,1133 8.13,1134 7.107,1135 21.441,1136 5.413,1137 14.795,1138 1.571,1139 1.684,1140 1.626,1141 1.558,1142 1.557,1143 2.157,1144 0.336,1145 4.879,1146 1.495,1147 4.329,1148 4.36,1149 4.312,1150 4.229,1151 7.447,1152 4.245,1153 4.012,1154 4.043,1155 3.974,1156 3.935,1157 7.408,1158 3.94,1159 3.81,1160 3.841,1161 3.907,1162 3.665,1163 5.873,1164 3.679,1165 3.586,1166 3.634,1167 3.751,1168 3.514,1169 5.076,1170 3.456,1171 3.491,1172 3.535,1173 3.419,1174 3.396,1175 4.825,1176 3.396,1177 3.376,1178 3.46,1179 3.299,1180 3.198,1181 4.791,1182 3.189,1183 3.24,1184 3.296,1185 3.122,1186 3.07,1187 4.333,1188 3.069,1189 2.978,1190 3.027,1191 2.927,1192 2.82,1193 4.308,1194 2.827,1195 0.135,1196 0.12,1197 0.2,1198 0.122,1199 0.096,1200 4.984,1201 0.139,1202 4.455,1203 0.098,1204 7.389,1205 0.363,1206 4.513,1207 0.092,1208 3.552,1209 5.13,1210 3.639,1211 13.441,1212 3.413,1213 2.008,1214 1.989,1215 2.07,1216 2.081,1217 1.259,1218 2.076,1219 1.95,1220 1.924,1221 2.034,1222 2.051,1223 1.218,1224 2.043,1225 1.709,1226 1.676,1227 1.866,1228 1.876,1229 1.169,1230 1.871,1231 1.663,1232 1.612,1233 1.752,1234 1.848,1235 0.932,1236 1.841,1237 1.549,1238 1.51,1239 1.663,1240 1.685,1241 0.784,1242 1.686,1243 1.33,1244 1.285,1245 1.438,1246 1.604,1247 0.616,1248 1.591,1249 1.146,1250 1.097,1251 1.331,1252 1.434,1253 0.405,1254 1.408,1255 1.129,1256 1.079,1257 1.325,1258 1.267,1259 0.317,1260 1.287,1261 4.317,1263 5.7,1264 3.434,1265 7.279,1266 5.974,1267 8.955,1268 8.223,1269 10.691,1275 5.408,1277 1.427,1280 1.213,1282 1.323,1289 35.411,1290 84.934,1291 192.526,1292 231.255,1293 261.784,1294 277.294,1295 281.294,1296 56.046,1297 9.352,1298 97.76,1299 123.06,1300 34,1301 13.36,1302 4.807,1303 4,1304 41.056,1305 112,1306 155,1307 0.185,1308 214.592,1309 354.51,1310 515.365,1311 159393,1313 21.982,1314 0.687,1315 0.558,1316 22.336,1317 17.855,1318 15.559,1319 0.421,1320 0.306,1321 10.319,1322 14.553,1323 10.054,1324 8.229,1325 16.013,1326 11.336,1327 14.574,1328 0.26,1329 0.161,1330 15.303,1331 9.015,1332 13.115,1333 0.154,1334 0.081,1335 13.631,1336 6.87,1337 12.284,1338 0.094,1339 0.04,1340 12.633,1341 5.251,1342 10.64,1343 0.058,1344 0.021,1345 10.91,1346 3.808,1347 0.277,1348 101.2,1349 0.2,1350 28.834,1351 0.551,1352 186,1353 506.912,1354 224.509,1355 518.946,1356 728.1,1357 486,1358 234,1359 545.921,1360 264.697,1361 564.324,1362 850.89,1363 535,1364 5.638}
{0 CHEMBL490555,1 1.553,2 9.64,3 4.502,4 20.271,5 100.315,6 9.038,7 0.897,8 3.791,9 3.895,10 3.587,11 3.472,12 4.956,13 3.442,14 4.249,15 4.373,16 3.991,17 3.868,18 5.4,19 3.816,20 4.42,21 4.598,22 3.948,23 3.898,24 5.476,25 3.813,26 4.389,27 4.587,28 3.817,29 3.816,30 5.428,31 3.711,32 4.257,33 4.451,34 3.646,35 3.712,36 5.266,37 3.617,38 4.201,39 4.371,40 3.615,41 3.71,42 5.241,43 3.622,44 4.27,45 4.476,46 3.571,47 3.663,48 5.261,49 3.554,50 4.137,51 4.365,52 3.476,53 3.486,54 5.102,55 3.362,56 0.027,57 0.587,58 5.388,59 2.874,60 5.352,61 3.123,62 0.124,63 0.971,64 9.861,65 4.825,66 11.292,67 5.368,68 0.104,69 1.122,70 15.548,71 6.698,72 15.293,73 7.5,74 0.237,75 1.14,76 19.347,77 7.084,78 20.438,79 7.41,80 0.18,81 0.955,82 15,83 5.74,84 16.071,85 6.384,86 0.067,87 0.85,88 12.55,89 5.599,90 11.713,91 6.622,92 0.124,93 0.927,94 13.388,95 5.831,96 16.364,97 7.311,98 0.095,99 0.821,100 13.479,101 5.565,102 14.542,103 6.771,105 41,106 0.269,107 0.574,108 0.756,109 0.886,110 0.908,111 0.908,112 3.267,113 0.899,114 -5,115 -4.9,116 -4.59,118 50,138 9,139 2,140 1,142 1,143 1,144 1,147 1,148 1,156 2,167 8,170 1,171 5,173 2,175 5,178 8,182 6,186 3,188 7,192 4,195 2,196 1,197 1,199 6,204 3,206 1,208 1,211 11,215 3,220 2,223 9,227 1,228 4,233 4,235 6,240 2,245 3,247 3,251 1,252 3,255 1,257 1,260 2,264 832,265 17.602,266 17.602,267 17.602,268 17.602,269 17.602,270 14.647,271 9.487,272 10.444,273 18.073,274 14.391,275 14.391,276 14.391,277 14.391,278 14.391,279 9.997,280 17.5,281 4.994,282 15.212,283 3.695,284 1.93,285 0.876,286 0.125,289 3.988,293 1,294 1,295 554,296 2.236,299 96.437,300 195.9,303 185.769,307 1.603,308 12.424,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 52.5,320 241,321 4.525,322 3.13,323 6.522,324 4.029,325 3.082,326 4.461,327 0.4,328 10.264,329 2.939,330 4.503,331 3.054,332 6.378,333 3.977,334 3.042,335 4.438,337 9.91,338 2.829,339 4.095,340 2.713,341 5.936,342 3.647,343 2.672,344 3.736,346 8.405,347 2.595,348 3.648,349 2.386,350 5.422,351 3.246,352 2.3,353 3.033,355 7.054,356 2.17,357 3.379,358 1.982,359 5.025,360 2.87,361 1.936,362 2.759,364 5.766,365 1.801,366 3.048,367 1.548,368 4.414,369 2.492,370 1.548,371 2.321,373 4.312,374 1.477,375 3.032,376 1.532,377 4.253,378 2.479,379 1.532,380 2.298,382 3.827,383 1.438,384 2.993,385 1.526,386 4.089,387 2.452,388 1.512,389 2.226,391 3.628,392 1.393,393 2.749,394 1.295,395 3.594,396 2.257,397 1.278,398 1.863,400 2.872,401 1.247,402 2.5,403 1,404 3.481,405 1.95,406 1,407 1.5,409 2.464,410 0.945,411 2.5,412 1,413 3.412,414 1.947,415 1,416 1.5,417 2.234,418 0.937,419 2.09,420 0.72,421 3.249,422 1.59,423 0.656,424 0.92,425 1.675,426 0.612,427 1.847,428 0.347,429 3,430 1.239,431 0.347,432 0.521,433 0.86,434 0.304,435 1.297,436 0.064,437 2.769,438 0.889,439 -0.044,440 -0.057,441 -0.113,442 -0.04,443 0.866,444 -0.513,445 2.522,446 0.404,447 -0.558,448 -0.764,449 -1.381,450 -0.534,451 12.333,452 0.493,453 0.479,454 0.019,455 39.5,456 1.58,457 22.5,458 0.9,459 17,460 0.68,461 15.548,462 0.622,463 23.667,464 0.623,465 24.929,466 0.997,467 7.638,468 0.306,469 4.728,470 0.189,473 0.324,478 0.993,479 1.072,480 0.667,481 0.755,482 0.891,483 0.708,484 0.78,485 1.006,486 0.809,487 0.913,488 0.833,489 0.879,490 1.107,491 1.172,492 0.986,493 1.019,494 0.937,495 0.991,496 1.228,497 0.916,498 1.375,499 1.113,500 1.107,501 1.001,502 1.166,503 0.831,504 1.143,505 0.983,506 1.153,507 0.988,508 0.795,509 1.051,510 1.017,511 1.097,512 0.882,513 1.084,514 0.79,515 1.013,516 0.859,517 1.018,518 0.968,519 1.131,520 0.96,521 1.085,522 0.869,523 0.951,524 0.931,525 0.995,526 4,527 0.078,528 2.444,529 1.354,530 1.143,531 0.361,532 0.354,533 0.202,534 0.135,535 0.11,536 8175,537 21694,538 2.277,539 34.2,541 9,542 1,543 1,544 2,549 1.678,550 2.239,551 3.288,552 0.273,558 58.995,559 1.553,560 3.318,561 4.372,562 5.123,563 5.248,564 5.248,565 2.695,566 4.324,567 4.621,568 3.454,569 1036.22,570 7.977,571 12492.4,573 1,576 199.421,577 0.904,578 4.616,579 0.138,580 0.005,581 0.06,582 0.036,583 0.035,584 0.012,585 0.012,586 0.008,587 0.006,588 0.006,589 0.317,590 0.33,591 0.88,593 120.362,594 -0.114,595 -0.07,596 0.05,597 0.052,598 -0.135,599 0.051,600 0.177,601 0.014,602 0.029,603 -0.038,604 0.02,605 -0.078,606 -0.104,607 -0.177,608 0.003,609 -0.045,610 0.011,611 -0.056,612 -0.057,613 0.143,614 -0.181,615 -0.025,616 -0.042,617 -0.031,618 -0.169,619 0.161,620 -0.151,622 -0.172,623 -0.025,624 -0.06,625 -0.145,626 -0.142,627 -0.161,628 -0.053,629 -0.126,630 0.063,631 -0.103,632 0.002,633 -0.099,634 -0.038,635 -0.124,636 0.018,637 -0.142,638 0.177,639 0.074,640 0.079,641 0.07,642 0.882,643 1.733,644 0.96,645 19.331,646 1.003,647 1.107,648 3.77,649 14.21,650 0.756,651 3.401,652 3.738,653 4.06,654 4.369,655 4.564,656 4.635,657 4.779,658 4.934,659 4.942,660 5.069,661 6.034,662 0.721,663 343.44,664 3.401,665 4.949,666 5.82,667 6.708,668 7.591,669 8.483,670 9.37,671 10.262,672 11.151,673 12.043,674 13.2,682 2,684 3,689 4,690 11,691 3,692 1,694 1,695 4,697 26,709 1,716 38,718 26,719 2,720 29,722 42,723 19,724 19,725 4,726 8,728 5,729 7,740 19,757 1,760 13,761 4,762 2,763 6,764 1,769 5,775 0.6,788 1,789 1,793 2,794 3,797 2,819 3,821 1,827 25,834 1,844 1,858 11.167,859 6.933,860 5.361,861 2.188,863 5.176,864 1.657,865 1.106,866 3.458,867 13.056,868 3.761,869 4.454,870 5.143,871 5.811,872 6.337,873 6.69,874 7.156,875 7.635,876 7.848,877 8.292,878 1,879 38,880 9.165,881 3.968,882 7.547,883 17.71,884 14.9,885 2.047,886 51.167,890 129.482,891 150.608,892 85.153,896 31.278,897 119.33,898 129.482,899 85.153,902 94.334,903 64.773,904 54.074,905 14.845,906 137.218,908 129.482,909 204.483,911 31.278,913 129.482,917 48.204,918 105.923,919 50.357,920 31.278,921 129.482,922 85.153,923 150.608,926 129.482,927 47.656,928 102.952,929 34.796,930 50.357,931 129.482,932 85.153,933 150.608,935 0.581,936 0.348,937 0.2,938 0.104,939 23,940 8,941 0.071,942 3,943 2,944 1.167,945 3.884,946 218.832,947 0.167,948 24,949 116.096,950 1,954 14.554,955 5.94,956 2.667,957 4.013,958 68.367,959 21.809,960 13.307,961 3.098,963 1.7,964 3.857,966 34.796,967 365.243,968 42,980 38.12,981 42.072,983 0.296,984 0.632,985 0.833,986 0.976,987 1,988 1,989 4.973,990 1.512,991 5.79,992 3.827,993 4.419,994 5.142,995 0.278,996 6.605,997 4.309,998 6.202,999 1.278,1000 7.34,1001 3.628,1002 3.892,1003 4.913,1005 7.466,1006 3.726,1007 7.518,1008 1,1009 8.991,1010 2.872,1011 6.009,1012 7.463,1013 0.05,1014 10.591,1015 5.796,1016 8.877,1017 1,1018 10.702,1019 2.464,1020 6.365,1021 8.143,1023 12.31,1024 6.084,1025 10.269,1026 0.656,1027 12.453,1028 2.234,1029 7.892,1030 10.083,1031 0.008,1032 14.909,1033 7.574,1034 11.686,1035 0.347,1036 14.231,1037 1.675,1038 8.655,1039 11.192,1041 16.967,1042 8.265,1043 13.122,1044 -0.044,1045 16.027,1046 0.86,1047 9.938,1048 12.875,1049 0.001,1050 19.383,1051 9.51,1052 3.082,1053 -0.558,1054 17.837,1055 -0.113,1056 10.891,1057 14.188,1059 21.583,1060 10.391,1061 3.042,1062 10.264,1063 19.657,1064 -1.381,1065 12.071,1066 15.76,1068 23.932,1069 11.528,1070 2.672,1071 9.91,1072 21.485,1073 4.461,1074 13.111,1075 17.167,1077 26.193,1078 12.5,1079 2.3,1080 8.405,1081 23.318,1082 4.438,1083 14.25,1084 18.691,1086 28.518,1087 13.59,1088 1.936,1089 7.054,1090 25.157,1091 3.736,1092 15.329,1093 20.142,1095 30.806,1096 14.606,1097 1.548,1098 5.766,1099 26.999,1100 3.033,1101 16.452,1102 21.646,1104 33.123,1105 15.676,1106 1.532,1107 4.312,1108 28.844,1109 2.759,1110 17.55,1111 23.118,1113 35.424,1114 16.714,1115 7327,1116 12086,1117 20.572,1118 28.722,1119 44.161,1120 43.824,1121 44.03,1122 43.785,1123 43.811,1124 63.152,1125 0.8,1126 126.544,1127 41.371,1128 5.302,1129 5.13,1130 6.204,1131 5.138,1132 5.082,1133 7.461,1134 0.8,1135 17.114,1136 4.939,1138 1.523,1139 1.511,1140 1.518,1141 1.51,1142 1.511,1143 2.178,1144 0.028,1145 4.364,1146 1.427,1147 4.113,1148 4.152,1149 4.33,1150 4.079,1151 5.134,1152 4.04,1153 4.05,1154 4.074,1155 4.056,1156 3.939,1157 4.985,1158 3.954,1159 3.842,1160 3.873,1161 3.788,1162 3.781,1163 4.707,1164 3.777,1165 3.353,1166 3.426,1167 3.439,1168 3.274,1169 4.484,1170 3.221,1171 3.273,1172 3.315,1173 3.253,1174 3.091,1175 4.266,1176 3.115,1177 3.031,1178 3.11,1179 2.955,1180 2.831,1181 4.068,1182 2.845,1183 2.884,1184 2.94,1185 2.859,1186 2.793,1187 3.719,1188 2.769,1189 2.786,1190 2.845,1191 2.665,1192 2.691,1193 3.665,1194 2.676,1195 0.156,1196 0.108,1197 0.225,1198 0.139,1199 0.106,1200 4.525,1201 0.154,1202 3.13,1203 0.014,1204 6.522,1205 0.354,1206 4.029,1207 0.101,1208 3.082,1209 4.461,1210 0.4,1211 10.264,1212 2.939,1213 1.924,1214 1.899,1215 2.01,1216 2.04,1217 1.125,1218 2.028,1219 1.898,1220 1.878,1221 1.977,1222 1.964,1223 1.092,1224 1.979,1225 1.778,1226 1.743,1227 1.831,1228 1.916,1229 0.927,1230 1.905,1231 1.465,1232 1.395,1233 1.638,1234 1.693,1235 0.602,1236 1.685,1237 1.252,1238 1.242,1239 1.267,1240 1.348,1241 0.454,1242 1.364,1243 0.961,1244 0.896,1245 1.187,1246 1.191,1247 0.233,1248 1.196,1249 0.917,1250 0.884,1251 1.101,1252 1.121,1253 0.188,1254 1.119,1255 0.866,1256 0.788,1257 1.089,1258 1.006,1259 0.174,1260 1.051,1261 4.078,1263 5.407,1264 3.045,1265 6.932,1266 5.352,1267 8.545,1268 7.424,1269 10.202,1278 3.383,1289 27.401,1290 58.995,1291 126.083,1292 166.137,1293 194.666,1294 199.421,1295 199.421,1296 23.991,1297 7.88,1298 66.49,1299 94.73,1300 28,1301 12.571,1302 4.755,1303 3.807,1304 32.169,1305 92,1306 73,1307 0.171,1308 168.959,1309 265.43,1310 404.02,1311 31568,1313 16.64,1314 0.666,1315 0.557,1316 16.993,1317 13.917,1318 12.365,1319 0.426,1320 0.3,1321 7.868,1322 11.6,1323 7.653,1324 6.332,1325 12.774,1326 8.695,1327 11.11,1328 0.271,1329 0.163,1330 11.753,1331 6.685,1332 9.877,1333 0.173,1334 0.09,1335 10.698,1336 5.106,1337 8.76,1338 0.112,1339 0.049,1340 9.648,1341 3.796,1342 6.966,1343 0.073,1344 0.027,1345 7.766,1346 2.533,1347 0.268,1348 80.453,1349 0.22,1350 24.235,1351 0.47,1352 140,1353 368.461,1354 175.615,1355 391.176,1356 559.02,1357 370,1358 168,1359 418.715,1360 201.654,1361 443.889,1362 655.03,1363 420,1364 5}
{0 CHEMBL491473,1 1.62,2 13.576,3 4.761,4 22.67,5 124.882,6 7.509,7 0.568,8 4.211,9 4.322,10 3.792,11 3.709,12 5.292,13 3.709,14 4.775,15 4.948,16 4.155,17 4.097,18 5.811,19 4.084,20 4.983,21 5.18,22 4.213,23 4.194,24 6.059,25 4.156,26 5.01,27 5.231,28 4.148,29 4.152,30 6.061,31 4.1,32 4.934,33 5.142,34 4.089,35 4.104,36 6.004,37 4.047,38 4.941,39 5.159,40 4.06,41 4.078,42 5.997,43 4.026,44 4.887,45 5.106,46 4.015,47 4.038,48 5.957,49 3.996,50 4.778,51 4.973,52 3.993,53 4.034,54 5.831,55 3.979,56 0.058,57 0.944,58 12.288,59 5.569,60 7.222,61 7.017,62 0.379,63 1.51,64 24.914,65 9.094,66 25.934,67 11.839,68 0.644,69 1.772,70 32.376,71 11.278,72 49.412,73 14.879,74 0.687,75 1.792,76 34.886,77 12.037,78 55.404,79 15.843,80 0.719,81 1.649,82 31.833,83 11.332,84 58.454,85 14.828,86 0.636,87 1.671,88 32.56,89 11.127,90 57.323,91 14.538,92 0.737,93 1.614,94 31.105,95 9.673,96 61.559,97 12.704,98 0.45,99 1.468,100 25.697,101 9.439,102 40.61,103 12.598,104 11,105 52,106 0.26,107 0.591,108 0.781,109 0.84,110 0.855,111 0.855,112 3.532,113 0.913,114 -4.48,115 -4.4,116 -4.15,118 41.7,119 1,120 3,123 1,124 4,138 5,139 2,140 4,142 1,143 1,144 1,148 2,167 4,170 2,171 11,175 4,178 3,181 1,182 8,186 1,188 4,191 3,192 5,199 6,203 3,204 3,206 1,211 5,214 2,215 7,223 5,227 1,228 4,231 1,233 1,235 3,239 1,240 8,245 1,247 4,252 5,255 1,257 1,260 3,264 2042,265 22.748,266 22.748,267 22.748,268 22.748,269 22.748,270 20.254,271 25.689,272 13.406,273 23.51,274 18.236,275 18.236,276 18.236,277 18.236,278 18.236,279 14.366,280 29.075,281 6.311,282 19.42,283 4.287,284 2.23,285 1.048,286 0.684,287 0.592,288 0.592,289 4.241,293 1,294 1,295 993,296 3.391,299 174.036,300 256.64,303 134.209,304 146.548,307 2.498,308 35.312,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 72.5,320 448,321 4.62,322 3.446,323 6.671,324 4.141,325 3.184,326 4.569,327 0.86,328 10.723,329 3.047,330 4.557,331 3.285,332 6.571,333 4.067,334 3.102,335 4.504,336 0.86,337 10.452,338 2.991,339 4.013,340 3.004,341 6.051,342 3.597,343 2.675,344 3.516,345 0.86,346 8.715,347 2.455,348 3.838,349 2.848,350 5.742,351 3.469,352 2.541,353 3.331,354 0.8,355 7.75,356 2.359,357 3.542,358 2.702,359 5.352,360 3.392,361 2.453,362 2.808,364 6.997,365 2.292,366 3.427,367 2.323,368 5.183,369 2.95,370 2.018,371 2.545,373 6.151,374 1.876,375 3.235,376 2.283,377 4.81,378 2.794,379 1.827,380 2.542,382 5.204,383 1.761,384 3.125,385 2.005,386 4.697,387 2.684,388 1.754,389 2.37,391 4.888,392 1.63,393 3.004,394 1.863,395 4.511,396 2.6,397 1.647,398 2.219,400 4.452,401 1.561,402 2.751,403 1.581,404 3.938,405 2.431,406 1.477,407 1.81,409 3.333,410 1.401,411 2.52,412 1.47,413 3.656,414 2.244,415 1.332,416 1.522,417 3.003,418 1.206,419 2.148,420 1.277,421 3.531,422 2.024,423 1.072,424 1.133,425 2.376,426 1.014,427 2.069,428 1.115,429 3.35,430 1.591,431 0.657,432 0.881,433 1.695,434 0.6,435 1.847,436 0.951,437 3.198,438 1.559,439 0.621,440 0.757,441 1.465,442 0.576,443 1.618,444 0.744,445 3,446 1.539,447 0.618,448 0.618,449 1.372,450 0.572,451 15.386,452 0.466,453 0.725,454 0.022,455 42,456 1.273,457 19.5,458 0.591,459 22.5,460 0.682,461 29.467,462 0.893,463 36.214,464 0.604,465 32.458,466 0.984,467 8.196,468 0.248,469 7.922,470 0.24,471 0.084,473 0.351,477 1,478 0.781,479 1.282,480 0.744,481 1.191,482 0.588,483 1,484 1.017,485 0.997,486 0.842,487 0.93,488 0.66,489 0.858,490 1.005,491 1.064,492 0.93,493 1.028,494 0.769,495 0.968,496 1.102,497 1.004,498 0.901,499 0.97,500 1.104,501 0.915,502 1.021,503 1.006,504 0.94,505 1.03,506 1.03,507 0.992,508 1.2,509 1.125,510 0.96,511 0.998,512 1.236,513 0.947,514 1.389,515 0.876,516 1.056,517 0.765,518 1.279,519 0.825,520 0.862,521 1.094,522 0.986,523 1.128,524 0.825,525 1.088,526 6,527 0.21,528 3.556,529 2.229,530 2.107,531 0.941,532 0.642,533 0.563,534 0.411,535 0.268,536 17177,537 41140,538 2.15,539 45,541 16,543 1,544 1,545 3,546 4,547 2,549 1.751,550 2.041,551 3.693,552 -0.352,558 97.18,559 1.62,560 3.677,561 4.859,562 5.223,563 5.315,564 5.315,565 3.279,566 4.741,567 5.009,568 3.903,569 2060.66,570 8.77,571 31239.1,573 1,576 354.413,577 1.301,578 4.989,579 0.162,580 0.007,581 0.068,582 0.043,583 0.044,584 0.021,585 0.015,586 0.013,587 0.01,588 0.007,589 0.39,590 0.17,591 0.88,592 0.62,593 176.565,594 -0.033,595 -0.195,596 0.072,597 -0.113,598 -0.003,599 -0.017,600 -0.058,601 0.007,602 0.078,603 0.066,604 0.044,605 0.096,606 0.054,607 -0.065,608 0.035,609 -0.04,610 0.146,611 -0.006,612 0.048,613 0.005,614 0.106,615 0.022,616 0.057,617 0.064,618 0.121,619 -0.01,620 0.052,621 -0.025,622 0.076,623 -0.011,624 -0.018,625 -0.099,626 0.05,627 -0.005,628 -0.009,629 0.028,630 -0.141,631 0.162,632 -0.036,633 0.184,634 -0.084,635 0.11,636 0.039,637 -0.081,638 -0.056,639 -0.125,640 0.022,641 -0.112,642 2.103,643 7.026,644 0.727,645 40.777,646 1.008,647 1.132,648 3.246,649 10.539,650 0.658,651 3.638,652 3.97,653 4.277,654 4.564,655 4.771,656 4.875,657 5.011,658 5.182,659 5.293,660 5.375,661 7.904,662 0.632,663 450.56,664 3.638,665 5.187,666 6.052,667 6.938,668 7.82,669 8.711,670 9.6,671 10.494,672 11.387,673 12.284,674 6.7,677 1,682 1,684 2,689 4,690 6,691 2,692 1,695 6,697 21,714 3,715 1,716 60,718 21,719 2,720 37,722 64,723 25,724 16,725 8,726 4,728 5,729 7,732 1,735 2,738 3,740 16,741 9,758 1,760 27,761 7,762 1,763 8,769 4,775 0.6,776 3,788 1,789 1,790 1,793 2,794 3,797 1,798 1,816 1,819 3,823 2,825 1,827 33,833 7,835 3,838 1,849 1,850 5,855 3,858 16.167,859 11.493,860 7.25,861 3.763,863 4.357,864 1.52,865 1.007,866 6.45,867 12.731,868 3.882,869 4.53,870 5.18,871 5.827,872 6.406,873 6.783,874 7.209,875 7.673,876 8.015,877 8.307,878 1,879 52,880 12.269,881 5.289,882 7.687,883 23.57,884 19.53,885 2.187,886 72.167,889 1,890 306.049,891 136.078,892 53.481,894 33,895 14.96,897 136.078,898 339.048,899 68.441,900 19.708,901 18.513,902 47.381,903 45.342,904 93.669,905 24.676,906 294.278,908 306.049,909 189.559,910 47.96,913 250.382,914 103.626,917 58.011,918 97.977,919 33.571,921 321.009,922 86.481,923 136.078,926 306.049,927 60.37,928 78.832,929 16.786,930 81.531,931 306.049,932 101.441,933 136.078,935 0.579,936 0.348,937 0.195,938 0.101,939 26,940 11,941 0.125,942 8,943 2,944 1.167,945 4.499,946 310.121,947 0.167,948 24,949 162.465,954 22.084,955 9.638,956 4.671,957 2.446,958 84.655,959 10.13,960 8.596,961 3.124,964 1.971,966 16.786,967 543.567,968 47.5,980 60.505,981 67.944,983 0.274,984 0.622,985 0.823,986 0.884,987 0.9,988 0.9,989 5.125,990 1.754,991 6.033,992 5.204,993 4.654,994 5.218,995 1.856,996 6.855,997 4.535,998 6.337,999 1.647,1000 7.595,1001 4.888,1002 4.205,1003 5.13,1004 0.325,1005 7.756,1006 4.034,1007 7.657,1008 1.477,1009 9.258,1010 4.452,1011 6.256,1012 7.516,1013 1.557,1014 10.879,1015 6.036,1016 9.019,1017 1.332,1018 10.98,1019 3.333,1020 6.661,1021 8.298,1022 0.268,1023 12.618,1024 6.392,1025 10.416,1026 1.072,1027 12.741,1028 3.003,1029 8.145,1030 10.155,1031 1.308,1032 15.246,1033 7.839,1034 11.838,1035 0.657,1036 14.528,1037 2.376,1038 8.944,1039 11.334,1040 0.188,1041 17.332,1042 8.593,1043 13.279,1044 0.621,1045 16.335,1046 1.695,1047 10.209,1048 12.985,1049 1.087,1050 19.789,1051 9.824,1052 3.184,1053 0.618,1054 18.156,1055 1.465,1056 11.191,1057 14.347,1058 0.125,1059 22.025,1060 10.766,1061 3.102,1062 10.723,1063 19.989,1064 1.372,1065 12.371,1066 15.915,1067 0.89,1068 24.419,1069 11.912,1070 2.675,1071 10.452,1072 21.831,1073 4.569,1074 13.437,1075 17.359,1076 0.082,1077 26.721,1078 12.94,1079 2.541,1080 8.715,1081 23.68,1082 4.504,1083 14.587,1084 18.893,1085 0.718,1086 29.092,1087 14.056,1088 2.453,1089 7.75,1090 25.534,1091 3.516,1092 15.692,1093 20.374,1094 0.054,1095 31.425,1096 15.124,1097 2.018,1098 6.997,1099 27.394,1100 3.331,1101 16.833,1102 21.894,1103 0.571,1104 33.788,1105 16.229,1106 1.827,1107 6.151,1108 29.259,1109 2.808,1110 17.958,1111 23.393,1112 0.035,1113 36.134,1114 17.316,1115 15867,1116 24894,1117 25.255,1118 39.461,1119 54.966,1120 56.457,1121 56.473,1122 55.235,1123 55.254,1124 71.726,1125 6.76,1126 159.889,1127 51.828,1128 5.59,1129 5.446,1130 6.382,1131 5.244,1132 5.184,1133 7.569,1134 1.72,1135 18.01,1136 5.047,1137 13.396,1138 1.486,1139 1.526,1140 1.526,1141 1.493,1142 1.493,1143 1.939,1144 0.183,1145 4.321,1146 1.401,1147 4.143,1148 4.172,1149 4.114,1150 4.043,1151 8.201,1152 4.056,1153 4.04,1154 4.065,1155 4.014,1156 3.943,1157 5.134,1158 3.957,1159 3.861,1160 3.932,1161 3.729,1162 3.693,1163 4.918,1164 3.691,1165 3.579,1166 3.622,1167 3.504,1168 3.392,1169 4.775,1170 3.405,1171 3.494,1172 3.542,1173 3.39,1174 3.351,1175 4.502,1176 3.347,1177 3.409,1178 3.46,1179 3.286,1180 3.207,1181 4.451,1182 3.228,1183 3.17,1184 3.24,1185 3.013,1186 2.93,1187 4.322,1188 2.94,1189 3.024,1190 3.088,1191 2.925,1192 2.822,1193 4.076,1194 2.834,1195 0.125,1196 0.093,1197 0.18,1198 0.112,1199 0.086,1200 4.62,1201 0.123,1202 3.446,1203 0.023,1204 6.671,1205 0.29,1206 4.141,1207 0.082,1208 3.184,1209 4.569,1210 0.86,1211 10.723,1212 3.047,1213 1.997,1214 1.982,1215 2.045,1216 2.119,1217 1.24,1218 2.096,1219 1.901,1220 1.884,1221 1.964,1222 1.999,1223 1.211,1224 1.988,1225 1.663,1226 1.595,1227 1.901,1228 1.883,1229 1.165,1230 1.893,1231 1.606,1232 1.547,1233 1.86,1234 1.793,1235 1.114,1236 1.799,1237 1.577,1238 1.507,1239 1.806,1240 1.751,1241 0.909,1242 1.793,1243 1.379,1244 1.337,1245 1.617,1246 1.647,1247 0.886,1248 1.628,1249 1.289,1250 1.216,1251 1.589,1252 1.559,1253 0.584,1254 1.573,1255 1.126,1256 1.059,1257 1.369,1258 1.382,1259 0.443,1260 1.394,1261 4.317,1263 5.645,1264 3.045,1265 7.165,1266 5.283,1267 8.781,1268 7.273,1269 10.452,1271 3.473,1273 15.026,1277 7.491,1279 17.449,1282 2.461,1289 37.935,1290 97.18,1291 220.591,1292 291.52,1293 313.394,1294 318.904,1295 318.904,1296 56.611,1297 8.374,1298 72.5,1299 72.5,1300 28,1301 12.809,1302 4.459,1303 3.524,1304 47.967,1305 154,1306 166,1307 0.149,1308 227.63,1309 388.34,1310 547.176,1311 58561,1312 1.7,1313 22.786,1314 0.69,1315 0.571,1316 21.916,1317 18.858,1318 16.119,1319 0.436,1320 0.304,1321 11.048,1322 15.306,1323 10.798,1324 8.926,1325 15.691,1326 11.257,1327 14.382,1328 0.277,1329 0.16,1330 13.961,1331 8.343,1332 12.562,1333 0.177,1334 0.085,1335 11.939,1336 6.003,1337 10.724,1338 0.113,1339 0.046,1340 10.336,1341 4.342,1342 8.443,1343 0.072,1344 0.023,1345 8.099,1346 2.662,1347 0.237,1348 102.346,1349 0.199,1350 31.049,1351 0.398,1352 178,1353 578.586,1354 200.203,1355 521.051,1356 717.28,1357 492,1358 212,1359 534.902,1360 235.833,1361 531.359,1362 785.64,1363 499,1364 5.959}
{0 CHEMBL491686,1 1.581,2 12.448,3 5.072,4 25.721,5 115.208,6 8.685,7 0.818,8 3.968,9 4.087,10 3.718,11 3.59,12 5.135,13 3.565,14 4.426,15 4.573,16 4.11,17 3.963,18 5.585,19 3.916,20 4.592,21 4.789,22 4.034,23 3.993,24 5.654,25 3.912,26 4.579,27 4.797,28 3.931,29 3.93,30 5.589,31 3.826,32 4.46,33 4.666,34 3.877,35 3.843,36 5.532,37 3.782,38 4.453,39 4.644,40 3.838,41 3.867,42 5.516,43 3.795,44 4.492,45 4.71,46 3.785,47 3.811,48 5.541,49 3.726,50 4.397,51 4.631,52 3.641,53 3.701,54 5.35,55 3.593,56 0.067,57 0.771,58 7.454,59 3.607,60 7.049,61 4.133,62 0.183,63 1.225,64 13.866,65 6.163,66 16,67 7.34,68 0.241,69 1.386,70 19.76,71 7.332,72 24.83,73 8.366,74 0.282,75 1.344,76 24.276,77 8.474,78 24.707,79 9.782,80 0.28,81 1.216,82 18.811,83 6.263,84 23.708,85 7.251,86 0.167,87 1.168,88 17.123,89 6.89,90 18.172,91 8.446,92 0.292,93 1.217,94 17.793,95 6.476,96 27.496,97 8.299,98 0.123,99 1.044,100 17.268,101 6.925,102 17.371,103 9.045,104 2,105 46,106 0.264,107 0.605,108 0.76,109 0.888,110 0.905,111 0.905,112 3.408,113 0.9,114 -4.93,115 -4.83,116 -4.53,118 45.7,119 1,138 10,139 1,140 1,141 1,142 2,143 1,146 1,148 1,149 1,156 1,163 1,167 7,170 1,171 7,173 3,174 1,175 5,178 9,182 4,184 1,186 3,188 7,192 7,195 2,196 1,197 4,199 5,203 1,204 6,206 1,208 1,211 7,215 4,218 1,219 1,220 3,223 9,227 3,228 2,231 1,233 4,235 6,240 1,245 6,247 5,252 7,255 1,257 3,260 3,264 1380,265 20.066,266 20.066,267 20.066,268 20.066,269 20.066,270 16.898,271 21.399,272 11.971,273 20.625,274 16.392,275 16.392,276 16.392,277 16.392,278 16.392,279 11.689,280 40.888,281 5.805,282 17.364,283 3.943,284 1.903,285 0.972,286 0.207,287 0.103,288 0.103,289 4.123,293 1,294 1,295 814,296 2.55,299 141.549,300 268,303 119.057,307 1.981,308 15.626,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 61.5,320 361,321 4.512,322 3.077,323 6.379,324 3.992,325 3.068,326 4.439,327 0.4,328 9.915,329 2.841,330 4.183,331 2.961,332 5.942,333 3.754,334 2.818,335 3.802,336 0.4,337 8.47,338 2.643,339 4.103,340 2.821,341 5.741,342 3.668,343 2.705,344 3.73,346 8.141,347 2.599,348 3.976,349 2.615,350 5.539,351 3.507,352 2.558,353 3.586,355 7.528,356 2.414,357 3.602,358 2.397,359 5.248,360 3.213,361 2.262,362 2.971,364 6.667,365 2.145,366 3.32,367 2.097,368 4.873,369 2.896,370 1.962,371 2.594,373 5.608,374 1.826,375 3.036,376 1.807,377 4.513,378 2.605,379 1.659,380 2.298,382 4.619,383 1.566,384 3.032,385 1.532,386 4.414,387 2.484,388 1.532,389 2.246,391 4.312,392 1.468,393 2.97,394 1.52,395 4.225,396 2.449,397 1.502,398 2.165,400 3.767,401 1.392,402 2.747,403 1.299,404 3.593,405 2.253,406 1.278,407 1.861,409 2.87,410 1.242,411 2.649,412 1.194,413 3.498,414 2.115,415 1.171,416 1.719,417 2.612,418 1.102,419 2.5,420 1,421 3.471,422 1.95,423 1,424 1.5,425 2.458,426 0.937,427 2.207,428 0.768,429 3.273,430 1.712,431 0.73,432 1.069,433 1.733,434 0.716,435 1.847,436 0.347,437 3,438 1.239,439 0.347,440 0.521,441 0.86,442 0.304,443 1.298,444 0.156,445 2.919,446 0.94,451 14.133,452 0.487,453 0.619,454 0.021,455 44.5,456 1.534,457 25,458 0.862,459 19.5,460 0.672,461 19.71,462 0.68,463 28.467,464 0.619,465 29.995,466 1.034,467 8.674,468 0.299,469 5.551,470 0.191,471 0.035,473 0.318,478 0.948,479 1.098,480 0.694,481 0.803,482 0.927,483 0.76,484 0.671,485 1.082,486 0.773,487 0.964,488 0.67,489 0.904,490 1.385,491 1.064,492 1.095,493 0.96,494 1.292,495 0.988,496 1.092,497 0.988,498 1.261,499 1.105,500 0.933,501 0.987,502 1.38,503 0.905,504 1.079,505 0.879,506 1.236,507 0.86,508 0.877,509 1.081,510 0.968,511 1.057,512 0.903,513 1.036,514 0.992,515 0.925,516 0.914,517 0.966,518 1.155,519 1.075,520 0.802,521 1.121,522 0.777,523 0.973,524 0.788,525 1.022,526 6,527 0.133,528 2,529 1.986,530 1.072,531 0.608,532 0.479,533 0.278,534 0.21,535 0.13,536 12751,537 33990,538 2.215,539 37,541 10,543 1,544 3,545 3,549 1.716,550 2.148,551 3.627,552 0.926,558 72.707,559 1.581,560 3.621,561 4.551,562 5.317,563 5.42,564 5.42,565 3.082,566 4.582,567 4.831,568 3.78,569 1534.74,570 8.393,571 21368.5,573 1,576 254.084,577 1.091,578 4.82,579 0.182,580 0.006,581 0.043,582 0.048,583 0.029,584 0.016,585 0.013,586 0.009,587 0.008,588 0.005,589 0.359,590 0.17,591 0.88,592 0.335,593 149.329,594 -0.037,595 -0.02,596 0.054,597 0.059,598 -0.144,599 0.049,600 0.291,601 -0.023,602 0.104,603 -0.037,604 0.221,605 -0.043,606 -0.256,607 -0.012,608 -0.105,609 0.002,610 -0.262,611 -0.079,612 -0.02,613 0.029,614 -0.084,615 -0.017,616 0.073,617 0.005,618 -0.199,619 0.153,620 -0.102,621 0.065,622 -0.145,623 0.049,624 0.026,625 -0.103,626 -0.089,627 -0.125,628 0.026,629 -0.091,630 0.063,631 0.061,632 -0.062,633 -0.084,634 -0.102,635 -0.133,636 0.052,637 -0.222,638 0.138,639 -0.019,640 0.115,641 0.015,642 1.16,643 1.734,644 0.897,645 29.377,646 1.005,647 1.119,648 3.698,649 13.674,650 0.728,651 3.526,652 3.85,653 4.111,654 4.407,655 4.585,656 4.644,657 4.796,658 4.949,659 4.997,660 5.106,661 7.327,662 0.695,663 399.52,664 3.526,665 5.069,666 5.916,667 6.792,668 7.652,669 8.531,670 9.396,671 10.277,672 11.145,673 12.026,674 15.2,682 3,684 4,689 2,690 11,691 4,692 1,694 1,695 7,697 27,709 2,716 46,718 27,719 2,720 33,722 50,723 21,724 20,725 4,726 8,728 5,729 6,732 1,740 20,741 1,760 17,761 6,762 3,763 8,764 1,769 7,775 0.8,785 1,788 1,793 2,794 3,797 1,819 4,821 1,823 1,827 29,834 2,844 1,858 13.5,859 8.633,860 6.222,861 2.604,863 5.092,864 1.63,865 1.066,866 4.76,867 13.169,868 3.861,869 4.516,870 5.125,871 5.759,872 6.247,873 6.547,874 7.023,875 7.506,876 7.804,877 8.211,878 1,879 41,880 10.619,881 4.509,882 7.58,883 20.402,884 16.728,885 2.08,886 60.333,889 1,890 164.795,891 162.986,892 119.704,896 31.278,897 131.709,898 164.795,899 119.704,900 8.825,902 94.762,903 79.72,904 74.903,905 4.973,906 184.302,908 164.795,909 251.413,911 31.278,913 164.795,917 80.615,918 103.779,919 67.02,920 31.278,921 164.795,922 119.704,923 162.986,926 164.795,927 50.351,928 112.635,929 52.685,930 67.02,931 164.795,932 119.704,933 162.986,935 0.58,936 0.33,937 0.186,938 0.099,939 24,940 9,941 0.1,942 5,943 1,944 1.077,945 4.282,946 257.193,947 0.077,948 26,949 138.881,950 1,954 17.922,955 7.703,956 4.017,957 2.194,958 103.041,959 21.683,960 17.673,961 2.912,963 1.682,964 5.813,966 52.685,967 447.486,968 46.5,980 46.207,981 51.484,983 0.286,984 0.655,985 0.824,986 0.963,987 0.981,988 0.981,989 5.074,990 1.532,991 5.883,992 4.619,993 4.533,994 5.204,995 0.495,996 6.655,997 4.417,998 6.29,999 1.502,1000 7.407,1001 4.312,1002 4.007,1003 4.913,1005 7.391,1006 3.813,1007 7.591,1008 1.278,1009 9.021,1010 3.767,1011 6.089,1012 7.442,1013 0.097,1014 10.485,1015 5.854,1016 8.926,1017 1.171,1018 10.69,1019 2.87,1020 6.382,1021 7.999,1023 12.05,1024 6.052,1025 10.291,1026 1,1027 12.393,1028 2.612,1029 7.902,1030 9.947,1031 0.016,1032 14.616,1033 7.54,1034 11.678,1035 0.73,1036 14.121,1037 2.458,1038 8.59,1039 10.931,1041 16.551,1042 8.128,1043 13.081,1044 0.347,1045 15.866,1046 1.733,1047 9.864,1048 12.615,1049 0.003,1050 18.921,1051 9.365,1052 3.068,1054 17.626,1055 0.86,1056 10.751,1057 13.827,1059 21.029,1060 10.154,1061 2.818,1062 9.915,1063 19.396,1065 11.914,1066 15.386,1068 23.328,1069 11.27,1070 2.705,1071 8.47,1072 21.175,1073 4.439,1074 12.901,1075 16.721,1077 25.52,1078 12.164,1079 2.558,1080 8.141,1081 22.962,1082 3.802,1083 14.017,1084 18.225,1086 27.796,1087 13.224,1088 2.262,1089 7.528,1090 24.755,1091 3.73,1092 15.056,1093 19.625,1095 30.031,1096 14.173,1097 1.962,1098 6.667,1099 26.554,1100 3.586,1101 16.154,1102 21.107,1104 32.304,1105 15.207,1106 1.659,1107 5.608,1108 28.357,1109 2.971,1110 17.219,1111 22.543,1113 34.561,1114 16.187,1115 11587,1116 19102,1117 23.057,1118 33.495,1119 49.916,1120 49.165,1121 49.619,1122 49.202,1123 49.184,1124 69,1125 1.6,1126 139.117,1127 46.387,1128 5.314,1129 5.077,1130 6.062,1131 5.101,1132 5.068,1133 7.439,1134 0.8,1135 16.574,1136 4.841,1137 7.493,1138 1.513,1139 1.49,1140 1.504,1141 1.491,1142 1.49,1143 2.091,1144 0.048,1145 4.216,1146 1.406,1147 4.084,1148 4.104,1149 4.33,1150 4.076,1151 5.077,1152 4.033,1153 3.957,1154 4.017,1155 3.924,1156 3.812,1157 4.984,1158 3.818,1159 3.867,1160 3.911,1161 3.82,1162 3.744,1163 4.944,1164 3.764,1165 3.745,1166 3.795,1167 3.695,1168 3.584,1169 4.684,1170 3.607,1171 3.298,1172 3.334,1173 3.434,1174 3.271,1175 4.263,1176 3.212,1177 3.139,1178 3.237,1179 3.019,1180 2.914,1181 4.096,1182 2.923,1183 3.039,1184 3.122,1185 2.892,1186 2.848,1187 3.965,1188 2.843,1189 2.884,1190 2.94,1191 2.855,1192 2.794,1193 3.789,1194 2.769,1195 0.137,1196 0.093,1197 0.193,1198 0.121,1199 0.093,1200 4.512,1201 0.135,1202 3.077,1203 0.012,1204 6.379,1205 0.3,1206 3.992,1207 0.086,1208 3.068,1209 4.439,1210 0.4,1211 9.915,1212 2.841,1213 1.914,1214 1.892,1215 2.005,1216 2.03,1217 1.12,1218 2.02,1219 1.898,1220 1.876,1221 1.976,1222 1.964,1223 1.089,1224 1.978,1225 1.747,1226 1.698,1227 1.84,1228 1.916,1229 0.879,1230 1.906,1231 1.55,1232 1.501,1233 1.755,1234 1.716,1235 0.784,1236 1.729,1237 1.342,1238 1.261,1239 1.499,1240 1.676,1241 0.497,1242 1.632,1243 1.253,1244 1.231,1245 1.273,1246 1.358,1247 0.456,1248 1.372,1249 1.005,1250 0.938,1251 1.222,1252 1.231,1253 0.263,1254 1.238,1255 0.917,1256 0.885,1257 1.104,1258 1.089,1259 0.189,1260 1.098,1261 4.205,1263 5.525,1264 3.045,1265 7.024,1266 5.352,1267 8.601,1268 7.391,1269 10.218,1271 1.924,1278 6.454,1289 31.971,1290 72.707,1291 166.546,1292 209.355,1293 244.574,1294 249.329,1295 249.329,1296 30.074,1297 8.077,1298 91.41,1299 119.65,1300 28,1301 12.563,1302 4.807,1303 3.858,1304 39.786,1305 128,1306 125,1307 0.148,1308 198.805,1309 319.39,1310 476.844,1311 42232,1313 19.631,1314 0.677,1315 0.564,1316 19.985,1317 16.364,1318 14.225,1319 0.431,1320 0.3,1321 9.041,1322 13.329,1323 8.757,1324 7.291,1325 14.634,1326 9.896,1327 12.983,1328 0.282,1329 0.164,1330 13.625,1331 7.537,1332 10.796,1333 0.18,1334 0.089,1335 11.617,1336 5.369,1337 9.451,1338 0.117,1339 0.049,1340 10.338,1341 3.929,1342 7.396,1343 0.076,1344 0.027,1345 8.197,1346 2.599,1347 0.238,1348 92.431,1349 0.208,1350 27.938,1351 0.393,1352 158,1353 432.439,1354 197.834,1355 453.876,1356 643.95,1357 428,1358 185,1359 485.8,1360 222.262,1361 509.794,1362 743.92,1363 481,1364 5}
{0 CHEMBL494089,1 1.633,2 10.226,3 1.839,4 3.383,5 117.484,6 7.337,7 0.441,8 4.177,9 4.306,10 3.724,11 3.613,12 5.301,13 3.615,14 4.724,15 4.917,16 4.099,17 4.009,18 5.793,19 3.997,20 4.962,21 5.18,22 4.127,23 4.137,24 6.028,25 4.082,26 5.008,27 5.256,28 4.141,29 4.13,30 5.989,31 4.073,32 4.865,33 5.063,34 4.153,35 4.107,36 5.923,37 4.086,38 4.962,39 5.152,40 4.205,41 4.179,42 6.093,43 4.151,44 5.06,45 5.28,46 4.191,47 4.198,48 6.178,49 4.144,50 5.003,51 5.247,52 3.964,53 4.127,54 5.95,55 4.031,56 0.189,57 0.894,58 12.784,59 4.687,60 19.748,61 6.664,62 0.323,63 1.386,64 24.179,65 7.835,66 34.585,67 11.55,68 0.662,69 1.584,70 32.423,71 10.069,72 65.938,73 14.886,74 0.765,75 1.589,76 35.185,77 10.417,78 55.895,79 15.813,80 0.445,81 1.531,82 28.462,83 8.521,84 37.944,85 12.822,86 0.584,87 1.685,88 31.229,89 8.874,90 54.292,91 13.487,92 0.88,93 1.752,94 35.761,95 9.718,96 75.414,97 15.157,98 0.601,99 1.588,100 34.2,101 10.099,102 55.822,103 15.703,104 32,105 49,106 0.266,107 0.622,108 0.791,109 0.852,110 0.852,111 0.852,112 3.473,113 0.921,114 -3.08,115 -3.08,116 -2.96,118 36.2,119 3,120 2,121 1,124 4,128 1,137 2,140 1,141 1,142 3,143 1,148 1,156 1,158 1,159 1,160 1,161 2,167 3,170 2,171 3,172 1,173 1,175 5,178 4,181 5,182 3,183 2,184 2,186 2,188 2,191 6,192 4,194 2,195 3,204 8,206 1,214 2,215 10,218 1,220 1,223 1,225 1,227 4,228 8,230 2,231 5,233 1,235 3,237 1,240 6,243 2,245 1,247 3,249 1,252 5,255 1,257 4,260 5,262 1,264 1787,265 20.731,266 20.731,267 20.731,268 20.731,269 20.731,270 18.794,271 25.311,272 12.073,273 21.286,274 16.736,275 16.736,276 16.736,277 16.736,278 16.736,279 13.57,280 27.057,281 5.647,282 17.635,283 4.225,284 2.041,285 1.001,286 0.625,287 0.625,288 0.625,289 4.164,293 1,294 1,295 676,296 3.937,299 141.873,300 187.538,303 126.052,307 1.652,308 32.754,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 68.5,320 317,321 4.798,322 3.811,323 7.083,324 4.315,325 3.37,326 4.775,327 1.128,328 12.281,329 3.185,330 4.364,331 3.464,332 6.46,333 4.058,334 3.102,335 3.942,336 0.86,337 9.999,338 2.955,339 4.241,340 3.006,341 6.393,342 3.848,343 2.891,344 3.524,345 0.4,346 9.889,347 2.763,348 3.796,349 2.831,350 5.85,351 3.508,352 2.535,353 3.119,355 7.957,356 2.469,357 3.642,358 2.616,359 5.514,360 3.348,361 2.4,362 3.014,364 7.081,365 2.27,366 3.473,367 2.424,368 5.323,369 3.15,370 2.221,371 2.501,373 6.73,374 2.054,375 3.18,376 1.8,377 4.729,378 2.522,379 1.582,380 2.184,382 4.632,383 1.483,384 2.925,385 1.667,386 4.506,387 2.44,388 1.492,389 1.878,391 4.115,392 1.414,393 2.667,394 1.607,395 3.844,396 2.384,397 1.445,398 1.587,400 3.15,401 1.352,402 2.561,403 1.211,404 3.638,405 2.103,406 1.134,407 1.524,409 2.619,410 1.097,411 2.498,412 1.181,413 3.43,414 1.956,415 1,416 1.369,417 2.136,418 0.954,419 2.236,420 1.129,421 3.384,422 1.819,423 0.875,424 1.081,425 2.125,426 0.822,427 2,428 0.977,429 3.247,430 1.698,431 0.783,432 1,433 1.964,434 0.712,435 1.813,436 0.73,437 3.211,438 1.53,439 0.591,440 0.711,441 1.335,442 0.552,443 1.537,444 0.431,445 2.957,446 1.228,447 0.278,448 0.336,449 0.483,450 0.263,451 14.3,452 0.461,453 0.888,454 0.029,455 36.25,456 1.169,457 15,458 0.484,459 21.25,460 0.685,461 31.557,462 1.018,463 34.9,464 0.602,465 28.911,466 0.933,467 6.695,468 0.216,469 8.176,470 0.264,471 0.156,472 0.035,473 0.308,478 0.839,479 1.432,480 0.814,481 1.172,482 0.971,483 1.013,484 0.904,485 1.199,486 0.755,487 1.029,488 0.624,489 0.883,490 0.947,491 1.035,492 0.929,493 1.028,494 1.036,495 0.994,496 0.795,497 0.84,498 0.761,499 0.834,500 0.583,501 0.804,502 1.139,503 1.2,504 0.918,505 1.016,506 0.828,507 0.931,508 1.25,509 1.27,510 1.127,511 1.136,512 1.017,513 1.104,514 0.986,515 1.047,516 1.122,517 1.071,518 1.016,519 1.103,520 0.892,521 1.073,522 1.091,523 1.124,524 0.769,525 1.13,526 6.5,527 0.203,528 3.556,529 2.104,530 2.016,531 1.49,532 0.848,533 0.794,534 0.454,535 0.316,536 11698,537 30519,538 2.057,539 46.6,540 2,541 8,543 1,544 4,546 11,547 1,549 1.746,550 1.908,551 3.3,552 1.664,554 1,558 94.736,559 1.633,560 3.817,561 4.857,562 5.233,563 5.233,564 5.233,565 2.777,566 4.518,567 4.918,568 3.515,569 1634.28,570 8.647,571 22872.1,573 1,575 1,576 339.763,577 1.595,578 4.87,579 0.191,580 0.007,581 0.073,582 0.044,583 0.041,584 0.029,585 0.016,586 0.016,587 0.012,588 0.009,589 0.438,590 0.17,591 1,592 1.159,593 158.544,594 0.056,595 -0.13,596 0.055,597 -0.023,598 -0.074,599 0.009,600 0.004,601 -0.055,602 0.172,603 0.033,604 0.191,605 0.121,606 0.065,607 0.007,608 0.034,609 -0.003,610 0.035,611 -0.002,612 0.18,613 0.14,614 0.225,615 0.156,616 0.117,617 0.187,618 -0.122,619 -0.085,620 0.029,621 0.02,622 -0.024,623 0.054,624 -0.16,625 -0.122,626 -0.176,627 -0.128,628 -0.07,629 -0.149,630 0.063,631 0.048,632 -0.151,633 -0.11,634 -0.024,635 -0.16,636 -0.042,637 -0.051,638 -0.136,639 -0.123,641 -0.136,642 2.409,643 4.022,644 0.645,645 33.205,646 1.009,647 1.143,648 1.85,649 3.424,650 0.638,651 3.555,652 3.912,653 4.174,654 4.489,655 4.736,656 4.913,657 5.1,658 5.288,659 5.38,660 5.398,661 6.431,662 0.613,663 425.55,664 3.555,665 5.118,666 5.974,667 6.878,668 7.763,669 8.677,670 9.577,671 10.498,672 11.409,673 12.334,674 12.1,676 1,678 1,682 1,684 4,689 2,690 1,691 4,693 1,695 5,696 1,697 15,708 1,714 1,716 58,718 16,720 34,722 61,723 21,724 8,728 4,729 5,732 3,735 2,736 1,738 2,739 2,740 8,741 11,742 2,757 1,760 27,761 9,762 4,763 10,766 1,769 7,775 0.75,776 3,779 1,787 1,793 2,794 2,797 1,801 2,815 1,817 1,819 3,823 3,827 31,828 1,832 1,833 6,834 1,835 1,837 1,839 1,842 1,848 2,850 5.2,851 1,855 2,858 16.25,859 11.283,860 6.736,861 3.675,863 3.184,864 1.408,865 0.93,866 6.263,867 10.987,868 3.795,869 4.413,870 5.069,871 5.726,872 6.276,873 6.815,874 7.342,875 7.822,876 8.162,877 8.432,878 0.857,879 48,880 11.447,881 4.883,882 7.75,883 21.801,884 17.87,885 2.25,886 69.75,890 270.735,891 105.264,892 125.571,894 63.644,897 105.264,898 334.379,899 125.571,900 26.476,901 15.979,902 93.591,903 86.863,904 44.808,905 38.533,906 258.964,908 270.735,909 230.835,910 63.644,913 129.482,914 162.214,915 42.683,917 81.397,918 42.613,919 106.825,921 270.735,922 189.215,923 105.264,926 270.735,927 35.68,928 37.422,929 52.072,930 169.306,931 270.735,932 189.215,933 105.264,935 0.586,936 0.328,937 0.182,938 0.103,939 24,940 11,941 0.082,942 5,943 1,944 1.1,945 4.078,946 290.216,947 0.1,948 20,949 151.58,954 21.728,955 8.935,956 4.73,957 1.3,958 187.316,959 1.662,960 16.786,962 4.782,964 2.053,965 1.941,966 93.591,967 565.215,968 43.5,980 58.531,981 66.268,983 0.279,984 0.652,985 0.829,986 0.893,987 0.893,988 0.893,989 5.074,990 1.492,991 5.999,992 4.632,993 4.595,994 5.1,995 1.676,996 6.868,997 4.491,998 6.315,999 1.445,1000 7.595,1001 4.115,1002 4.369,1003 5.027,1005 8.034,1006 4.218,1007 7.657,1008 1.134,1009 9.3,1010 3.15,1011 6.282,1012 7.382,1013 1.684,1014 11.079,1015 6.08,1016 9.04,1017 1,1018 11.068,1019 2.619,1020 6.868,1021 8.191,1023 13.036,1024 6.613,1025 10.457,1026 0.875,1027 12.876,1028 2.136,1029 8.291,1030 10.027,1031 1.782,1032 15.672,1033 7.987,1034 11.9,1035 0.783,1036 14.71,1037 2.125,1038 9.213,1039 11.239,1041 17.931,1042 8.853,1043 13.361,1044 0.591,1045 16.563,1046 1.964,1047 10.467,1048 12.882,1049 1.924,1050 20.451,1051 10.057,1052 3.37,1053 0.278,1054 18.43,1055 1.335,1056 11.534,1057 14.281,1059 22.837,1060 11.067,1061 3.102,1062 12.281,1063 20.309,1064 0.483,1065 12.732,1066 15.857,1067 2.095,1068 25.327,1069 12.212,1070 2.891,1071 9.999,1072 22.196,1073 4.775,1074 13.863,1075 17.342,1077 27.77,1078 13.285,1079 2.535,1080 9.889,1081 24.092,1082 3.942,1083 15.046,1084 18.898,1085 2.286,1086 30.256,1087 14.414,1088 2.4,1089 7.957,1090 25.993,1091 3.524,1092 16.207,1093 20.421,1095 32.728,1096 15.517,1097 2.221,1098 7.081,1099 27.901,1100 3.119,1101 17.389,1102 21.974,1103 2.49,1104 35.217,1105 16.643,1106 1.582,1107 6.73,1108 29.813,1109 3.014,1110 18.566,1111 23.515,1113 37.703,1114 17.762,1115 11343,1116 18582,1117 22.364,1118 37.017,1119 53.082,1120 52.007,1121 52.67,1122 51.404,1123 51.398,1124 65.09,1125 4.776,1126 152.991,1127 48.685,1128 5.798,1129 5.811,1130 6.885,1131 5.397,1132 5.37,1133 7.775,1134 2.256,1135 19.91,1136 5.139,1137 16.436,1138 1.561,1139 1.53,1140 1.549,1141 1.512,1142 1.512,1143 1.914,1144 0.14,1145 4.5,1146 1.432,1147 4.147,1148 4.185,1149 4.134,1150 3.996,1151 6.453,1152 4.026,1153 3.852,1154 3.916,1155 3.77,1156 3.704,1157 5.437,1158 3.698,1159 3.778,1160 3.815,1161 3.71,1162 3.599,1163 5.091,1164 3.616,1165 3.687,1166 3.728,1167 3.603,1168 3.485,1169 4.85,1170 3.523,1171 3.478,1172 3.554,1173 3.347,1174 3.273,1175 4.626,1176 3.273,1177 3.316,1178 3.378,1179 3.175,1180 3.118,1181 4.557,1182 3.117,1183 3.126,1184 3.209,1185 2.986,1186 2.945,1187 4.362,1188 2.933,1189 3.058,1190 3.154,1191 2.921,1192 2.89,1193 4.195,1194 2.913,1195 0.141,1196 0.112,1197 0.208,1198 0.127,1199 0.099,1200 4.798,1201 0.14,1202 3.811,1203 0.033,1204 7.083,1205 0.361,1206 4.315,1207 0.094,1208 3.37,1209 4.775,1210 1.128,1211 12.281,1212 3.185,1213 1.902,1214 1.876,1215 2.058,1216 2.053,1217 1.422,1218 2.049,1219 1.824,1220 1.767,1221 1.955,1222 1.991,1223 1.146,1224 1.991,1225 1.687,1226 1.642,1227 1.883,1228 1.872,1229 1.001,1230 1.871,1231 1.598,1232 1.55,1233 1.774,1234 1.793,1235 0.927,1236 1.789,1237 1.385,1238 1.313,1239 1.588,1240 1.624,1241 0.871,1242 1.618,1243 1.289,1244 1.223,1245 1.551,1246 1.527,1247 0.599,1248 1.54,1249 1.093,1250 1.035,1251 1.417,1252 1.477,1253 0.592,1254 1.392,1255 1.021,1256 0.918,1257 1.384,1258 1.328,1259 0.469,1260 1.357,1261 4.234,1263 5.58,1264 3.045,1265 7.107,1266 5.416,1267 8.722,1268 7.545,1269 10.389,1271 5.223,1275 5.931,1276 10.022,1277 5.417,1278 3.405,1279 6.211,1281 0.436,1283 -1.159,1288 5.742,1289 35.562,1290 94.736,1291 221.391,1292 281.724,1293 303.498,1294 303.498,1295 303.498,1296 59.71,1297 7.803,1298 137.14,1299 137.14,1300 22,1301 12.842,1302 4.087,1303 3.392,1304 48.939,1305 113,1306 135,1307 0.205,1308 218.766,1309 371.97,1310 525.548,1311 24280,1313 22.01,1314 0.71,1315 0.58,1316 22.01,1317 17.974,1318 14.87,1319 0.437,1320 0.307,1321 10.248,1322 14.082,1323 9.958,1324 8.295,1325 14.87,1326 10.438,1327 14.063,1328 0.287,1329 0.167,1330 14.063,1331 8.178,1332 11.026,1333 0.172,1334 0.08,1335 11.026,1336 5.138,1337 9.406,1338 0.107,1339 0.041,1340 9.406,1341 3.636,1342 7.65,1343 0.068,1344 0.022,1345 7.65,1346 2.502,1347 0.313,1348 94.727,1349 0.211,1350 28.671,1351 0.594,1352 166,1353 505.491,1354 187.734,1355 484.063,1356 670.27,1357 452,1358 196,1359 521.033,1360 219.956,1361 517.907,1362 756.84,1363 485,1364 5}
{0 CHEMBL496574,1 1.966,2 11.31,3 4.028,4 16.222,5 109.361,6 9.642,7 0.563,8 3.965,9 4.049,10 3.873,11 3.512,12 5.13,13 3.514,14 4.474,15 4.584,16 4.151,17 3.856,18 5.911,19 3.858,20 4.642,21 4.803,22 4.135,23 3.923,24 5.879,25 3.898,26 4.604,27 4.774,28 4.132,29 3.897,30 5.814,31 3.851,32 4.612,33 4.787,34 4.123,35 3.877,36 5.868,37 3.842,38 4.571,39 4.759,40 4,41 3.829,42 5.81,43 3.777,44 4.485,45 4.669,46 3.896,47 3.692,48 5.684,49 3.652,50 4.376,51 4.587,52 3.755,53 3.571,54 5.632,55 3.501,56 0.209,57 0.723,58 7.681,59 4.009,60 19.052,61 3.67,62 0.682,63 1.095,64 16.824,65 7.015,66 58.478,67 6.758,68 0.755,69 1.22,70 18.959,71 7.202,72 69.105,73 7.141,74 0.685,75 1.179,76 23.507,77 8.247,78 40.555,79 8.857,80 0.759,81 1.169,82 21.05,83 7.285,84 59.544,85 7.563,86 0.676,87 1.104,88 25.105,89 8.167,90 54.18,91 9.421,92 0.686,93 1.028,94 18.549,95 6.022,96 55.166,97 6.648,98 0.63,99 0.909,100 18.117,101 6.326,102 52.228,103 7.824,104 19,105 46,106 0.334,107 0.651,108 0.804,109 0.893,110 0.9,111 0.9,112 3.408,113 1.001,114 -3.06,115 -3.06,116 -2.95,118 40,123 1,125 1,138 7,140 6,141 1,143 1,146 1,167 3,170 3,171 3,173 5,175 5,178 4,182 2,184 1,186 4,188 2,192 10,195 2,196 2,197 4,203 1,204 8,211 2,214 1,215 6,218 4,220 2,223 3,227 1,228 2,231 1,233 3,235 1,239 5,240 1,243 1,244 1,245 3,247 1,252 2,260 4,264 1325,265 19.204,266 19.204,267 19.204,268 19.204,269 19.204,270 16.575,271 28.613,272 11.242,273 19.806,274 15.87,275 15.87,276 15.87,277 15.87,278 15.87,279 11.86,280 47.217,281 5.41,282 16.965,283 3.526,284 1.662,285 0.765,286 0.239,287 0.195,288 0.195,289 4.102,290 1,293 1,294 1,295 711,296 3.606,299 64.77,300 268.309,303 120.113,307 1.886,308 37.144,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 64.833,320 328,321 4.644,322 4.311,323 6.684,324 4.083,325 3.145,326 4.442,327 1.392,328 10.781,329 2.93,330 4.489,331 3.486,332 6.457,333 4.077,334 3.141,335 4.173,336 0.532,337 10.203,338 2.923,339 4.13,340 2.956,341 5.738,342 3.697,343 2.761,344 3.733,345 0.4,346 8.134,347 2.593,348 3.963,349 2.888,350 5.63,351 3.501,352 2.547,353 3.568,354 0.4,355 7.542,356 2.413,357 3.625,358 2.657,359 5.429,360 3.23,361 2.325,362 2.947,364 7.055,365 2.082,366 3.409,367 2.354,368 5.051,369 3.012,370 2.08,371 2.684,373 6.104,374 1.916,375 3.177,376 2.091,377 4.731,378 2.739,379 1.801,380 2.416,382 5.185,383 1.669,384 3.034,385 1.919,386 4.609,387 2.6,388 1.654,389 2.234,391 4.628,392 1.549,393 2.688,394 1.801,395 3.623,396 2.197,397 1.227,398 1.773,400 2.709,401 1.19,402 2.642,403 1.315,404 3.505,405 2.132,406 1.166,407 1.708,409 2.597,410 1.115,411 2.236,412 1.212,413 3.478,414 2.095,415 1.125,416 1.218,417 2.512,418 1.075,419 1.788,420 1.113,421 3.417,422 1.555,423 0.659,424 0.721,425 1.779,426 0.584,427 1.522,428 0.775,429 3.104,430 1.141,431 0.274,432 0.329,433 0.651,434 0.212,435 1.298,436 0.736,437 2.952,438 0.94,443 1.184,444 0.154,445 2.854,446 0.856,447 -0.102,448 -0.124,449 -0.3,450 -0.097,451 13.881,452 0.479,453 0.887,454 0.031,455 43.5,456 1.5,457 23.5,458 0.81,459 20,460 0.69,461 20.231,462 0.698,463 31.119,464 0.692,465 32.618,466 1.125,467 8.475,468 0.292,469 5.396,470 0.186,471 0.136,472 0.06,473 0.288,478 0.761,479 1.417,480 0.67,481 1.168,482 0.729,483 0.841,484 0.825,485 1.104,486 0.921,487 1.063,488 0.567,489 0.903,490 1.227,491 1.094,492 0.943,493 0.826,494 1.329,495 0.975,496 0.851,497 1.076,498 1.028,499 1.057,500 0.608,501 1.016,502 1.042,503 1.006,504 0.918,505 0.881,506 1.064,507 0.948,508 0.789,509 1.024,510 1.018,511 0.989,512 0.781,513 0.968,514 1.005,515 1.068,516 0.926,517 0.951,518 1.041,519 1.075,520 0.572,521 0.932,522 0.729,523 0.815,524 0.491,525 0.941,526 7.5,527 0.16,528 2.444,529 2.125,530 1.569,531 0.826,532 0.554,533 0.384,534 0.263,535 0.218,536 11363,537 41520,538 2.082,539 35.6,541 10,542 2,543 1,544 3,549 1.718,550 1.944,551 3.455,552 1.028,554 1,558 88.465,559 1.966,560 3.83,561 4.727,562 5.253,563 5.297,564 5.297,565 2.879,566 4.487,567 4.833,568 3.695,569 1500.13,570 8.405,571 20801.8,573 1,575 1,576 247.133,577 1.548,578 4.781,579 0.234,580 0.006,581 0.053,582 0.051,583 0.038,584 0.021,585 0.015,586 0.012,587 0.009,588 0.009,589 0.449,590 0.33,591 0.88,592 0.897,593 148.558,594 -0.052,595 -0.226,596 0.121,597 -0.124,598 -0.195,599 0.013,600 0.155,601 -0.004,602 -0.095,603 -0.079,604 0.28,605 -0.04,606 -0.268,607 -0.06,608 -0.129,609 0.017,610 -0.286,611 -0.091,612 0.01,613 -0.064,614 -0.036,615 -0.09,616 0.056,617 -0.044,618 -0.121,619 0.017,620 -0.022,621 0.019,622 -0.122,623 -0.016,624 0.058,625 -0.059,626 -0.02,627 -0.038,628 0.047,629 0.044,630 -0.092,631 -0.052,632 -0.08,633 -0.09,634 -0.186,635 -0.146,636 0.261,637 0.036,638 0.138,639 0.084,640 0.243,641 0.073,642 4.288,643 4.402,644 0.724,645 27.196,646 1.034,647 1.126,648 1.831,649 3.353,650 0.709,651 3.497,652 3.85,653 4.043,654 4.344,655 4.522,656 4.585,657 4.663,658 4.82,659 4.787,660 4.898,661 7.076,662 0.692,663 433.91,664 3.497,665 5.056,666 5.889,667 6.781,668 7.629,669 8.522,670 9.377,671 10.269,672 11.128,673 12.019,674 11.1,679 1,682 2,684 2,690 8,691 2,695 8,697 18,709 2,714 2,715 1,716 45,718 20,719 2,720 32,722 48,723 18,724 16,725 6,726 6,728 4,729 5,730 1,740 16,741 2,744 2,747 1,749 2,757 1,760 16,761 9,762 3,763 11,764 2,769 5,775 0.75,776 4,788 1,793 1,794 3,797 1,819 3,821 1,823 1,824 1,827 29,831 1,833 1,834 3,835 2,849 1,850 8.9,853 2,855 2,858 14.917,859 8.293,860 6.125,861 2.294,863 3.674,864 1.473,865 1.013,866 5.581,867 11.439,868 3.784,869 4.437,870 4.869,871 5.456,872 5.963,873 6.145,874 6.438,875 6.892,876 7.118,877 7.498,878 1,879 42,880 10.81,881 4.802,882 7.995,883 19.792,884 16.105,885 2.495,886 72.361,889 1,890 153.024,891 121.514,892 85.998,893 39.149,894 66.313,896 5.807,897 115.706,898 258.486,899 85.998,900 7.19,901 6.65,902 72.141,903 106.06,904 89.326,905 27.769,906 117.711,907 39.149,908 153.024,909 201.704,910 66.313,911 44.956,913 153.024,914 66.313,917 53.618,918 98.11,919 94.932,921 153.024,922 152.31,923 160.663,925 5.807,926 153.024,927 33.135,928 82.572,929 52.426,930 139.032,931 153.024,932 152.31,933 160.663,935 0.59,936 0.314,937 0.177,938 0.095,939 23,940 10,941 0.125,942 6,943 1,944 1.095,945 4.075,946 253.696,947 0.095,948 21,949 138.881,953 1,954 19.882,955 8.14,956 4.956,958 152.31,959 13.453,960 8.593,964 3.963,966 52.426,967 465.997,968 43,971 -3.371,973 22.805,980 46.52,981 50.684,983 0.358,984 0.697,985 0.861,986 0.956,987 0.965,988 0.965,989 5.034,990 1.654,991 5.911,992 5.185,993 4.533,994 5.124,995 1.805,996 6.73,997 4.399,998 6.28,999 1.227,1000 7.474,1001 4.628,1002 4.29,1003 5.198,1005 7.781,1006 4.044,1007 7.628,1008 1.166,1009 9.137,1010 2.709,1011 6.184,1012 7.415,1013 2.17,1014 10.761,1015 5.919,1016 9.011,1017 1.125,1018 10.86,1019 2.597,1020 6.698,1021 8.235,1023 12.576,1024 6.316,1025 10.422,1026 0.659,1027 12.62,1028 2.512,1029 8.119,1030 10.001,1031 2.746,1032 15.133,1033 7.714,1034 11.854,1035 0.274,1036 14.404,1037 1.779,1038 8.967,1039 11.147,1041 17.259,1042 8.455,1043 13.302,1045 16.207,1046 0.651,1047 10.207,1048 12.739,1049 3.372,1050 19.681,1051 9.659,1052 3.145,1053 -0.102,1054 18.025,1056 11.21,1057 14.042,1059 21.938,1060 10.566,1061 3.141,1062 10.781,1063 19.853,1064 -0.3,1065 12.38,1066 15.561,1067 4.015,1068 24.315,1069 11.686,1070 2.761,1071 10.203,1072 21.69,1073 4.442,1074 13.453,1075 16.941,1077 26.628,1078 12.673,1079 2.547,1080 8.134,1081 23.536,1082 4.173,1083 14.598,1084 18.429,1085 4.667,1086 28.992,1087 13.759,1088 2.325,1089 7.542,1090 25.387,1091 3.733,1092 15.704,1093 19.851,1095 31.331,1096 14.785,1097 2.08,1098 7.055,1099 27.244,1100 3.568,1101 16.841,1102 21.326,1103 5.323,1104 33.691,1105 15.857,1106 1.801,1107 6.104,1108 29.106,1109 2.947,1110 17.964,1111 22.77,1113 36.042,1114 16.903,1115 10804,1116 20819,1117 21.266,1118 31.921,1119 47.758,1120 50.52,1121 48.315,1122 47.923,1123 47.814,1124 63.891,1125 5.446,1126 139.761,1127 44.505,1128 5.502,1129 6.311,1130 6.239,1131 5.162,1132 5.145,1133 7.442,1134 2.783,1135 17.937,1136 4.93,1137 14.457,1138 1.492,1139 1.579,1140 1.51,1141 1.498,1142 1.494,1143 1.997,1144 0.17,1145 4.368,1146 1.391,1147 4.037,1148 4.05,1149 4.716,1150 3.974,1151 7.718,1152 3.915,1153 3.968,1154 3.971,1155 4.055,1156 3.869,1157 6.999,1158 3.863,1159 3.841,1160 3.854,1161 3.864,1162 3.76,1163 5.087,1164 3.689,1165 3.738,1166 3.752,1167 3.716,1168 3.605,1169 4.984,1170 3.615,1171 3.306,1172 3.326,1173 3.495,1174 3.051,1175 4.734,1176 3.082,1177 3.117,1178 3.194,1179 3.04,1180 2.911,1181 4.707,1182 2.931,1183 2.987,1184 3.063,1185 2.924,1186 2.805,1187 4.141,1188 2.814,1189 2.898,1190 2.985,1191 2.862,1192 2.745,1193 4.041,1194 2.734,1195 0.145,1196 0.135,1197 0.209,1198 0.128,1199 0.098,1200 4.644,1201 0.139,1202 4.311,1203 0.043,1204 6.684,1205 0.337,1206 4.083,1207 0.092,1208 3.145,1209 4.442,1210 1.392,1211 10.781,1212 2.93,1213 1.922,1214 1.902,1215 2,1216 2.05,1217 1.113,1218 2.054,1219 1.862,1220 1.847,1221 1.913,1222 1.976,1223 1.056,1224 1.973,1225 1.707,1226 1.702,1227 1.784,1228 1.863,1229 0.926,1230 1.876,1231 1.642,1232 1.635,1233 1.606,1234 1.769,1235 0.775,1236 1.809,1237 1.166,1238 1.133,1239 1.435,1240 1.521,1241 0.578,1242 1.486,1243 1.037,1244 0.968,1245 1.239,1246 1.297,1247 0.285,1248 1.288,1249 0.902,1250 0.829,1251 1.174,1252 1.166,1253 0.237,1254 1.18,1255 0.889,1256 0.813,1257 1.127,1258 1.138,1259 0.178,1260 1.156,1261 4.174,1263 5.517,1264 2.398,1265 7.033,1266 4.595,1267 8.629,1268 6.605,1269 10.269,1271 1.089,1272 6.284,1277 0.124,1278 8.579,1279 10.843,1289 31.142,1290 88.465,1291 172.362,1292 212.727,1293 236.379,1294 238.379,1295 238.379,1296 49.862,1297 7.765,1298 114.47,1299 122.85,1300 23,1301 12.554,1302 4.392,1303 3.585,1304 44.831,1305 125,1306 105,1307 0.175,1308 196.933,1309 337.94,1310 472.276,1311 28038,1312 2.2,1313 20.433,1314 0.705,1315 0.576,1316 21.183,1317 16.712,1318 13.871,1319 0.433,1320 0.334,1321 8.424,1322 12.163,1323 8.051,1324 6.664,1325 15.087,1326 10.673,1327 13.607,1328 0.296,1329 0.18,1330 15.36,1331 8.282,1332 9.948,1333 0.178,1334 0.085,1335 10.756,1336 4.74,1337 8.862,1338 0.117,1339 0.045,1340 9.663,1341 3.436,1342 6.858,1343 0.075,1344 0.024,1345 7.561,1346 2.183,1347 0.278,1348 100.546,1349 0.217,1350 27.692,1351 0.468,1352 156,1353 554.295,1354 223.157,1355 576.098,1356 768.24,1357 532,1358 180,1359 520.635,1360 250.555,1361 564.647,1362 817.04,1363 525,1364 6.115}
{0 CHEMBL496760,1 2.093,2 11.485,3 2.856,4 8.156,5 122.703,6 10.26,7 0.5,8 4.08,9 4.152,10 4.112,11 3.632,12 5.256,13 3.624,14 4.6,15 4.694,16 4.355,17 3.98,18 6.224,19 3.984,20 4.777,21 4.914,22 4.336,23 4.07,24 6.127,25 4.048,26 4.778,27 4.931,28 4.376,29 4.058,30 6.078,31 4.024,32 4.799,33 4.958,34 4.443,35 4.071,36 6.179,37 4.029,38 4.807,39 4.971,40 4.451,41 4.053,42 6.096,43 4.01,44 4.799,45 4.946,46 4.365,47 3.948,48 6.55,49 3.938,50 4.697,51 4.887,52 4.063,53 3.814,54 6.09,55 3.766,56 0.303,57 0.842,58 8.975,59 4.798,60 44.14,61 3.724,62 0.937,63 1.241,64 19.629,65 8.375,66 118.375,67 7.364,68 1.056,69 1.393,70 20.69,71 8.83,72 114.189,73 7.485,74 1.013,75 1.4,76 25.689,77 9.647,78 97.733,79 9.5,80 1.095,81 1.439,82 27.381,83 9.725,84 95.807,85 8.922,86 1.061,87 1.425,88 32.951,89 10.38,90 135.245,91 9.999,92 1.394,93 1.361,94 28.338,95 9.014,96 212.411,97 8.548,98 1.142,99 1.194,100 24.712,101 8.328,102 135.971,103 8.452,104 55,105 54,106 0.346,107 0.672,108 0.82,109 0.885,110 0.892,111 0.892,112 3.532,113 1.075,114 -1.56,115 -1.63,116 -1.67,118 36,123 1,125 1,138 6,140 7,141 1,143 1,146 1,158 1,159 1,160 1,167 1,170 4,171 3,172 2,173 7,175 5,178 4,182 6,184 1,186 4,188 1,190 2,192 10,195 2,196 2,197 4,203 1,204 6,206 4,207 2,208 1,210 2,211 2,213 1,214 1,215 6,218 4,220 2,223 3,227 9,228 2,230 4,231 5,233 2,239 5,240 1,243 1,244 1,245 3,247 1,252 4,255 2,256 1,257 1,259 1,260 4,262 1,264 1874,265 21.124,266 21.124,267 21.124,268 21.124,269 21.124,270 18.221,271 31.524,272 12.073,273 21.882,274 17.844,275 17.844,276 17.844,277 17.844,278 17.844,279 13.262,280 50.414,281 5.821,282 19.192,283 3.551,284 1.583,285 0.685,286 0.295,287 0.255,288 0.255,289 4.219,290 1,295 809,296 4.416,299 76.318,300 314.608,303 141.317,307 1.805,308 58.591,311 0.5,312 0.67,313 0.67,314 0.2,316 0.5,317 0.5,318 0.43,319 75.333,320 379,321 4.815,322 4.663,323 7.123,324 4.255,325 3.336,326 4.677,327 1.392,328 11.733,329 3.042,330 4.639,331 4.311,332 6.684,333 4.082,334 3.145,335 4.438,336 0.532,337 10.781,338 2.93,339 4.489,340 3.486,341 6.456,342 4.062,343 3.129,344 4.173,345 0.4,346 10.198,347 2.892,348 4.118,349 2.953,350 5.742,351 3.674,352 2.743,353 3.716,354 0.4,355 8.154,356 2.558,357 3.949,358 2.878,359 5.636,360 3.476,361 2.519,362 3.547,364 7.586,365 2.397,366 3.625,367 2.643,368 5.448,369 3.228,370 2.322,371 2.947,373 7.091,374 2.081,375 3.41,376 2.351,377 5.069,378 3.012,379 2.08,380 2.685,382 6.156,383 1.916,384 3.178,385 2.091,386 4.758,387 2.74,388 1.801,389 2.418,391 5.261,392 1.671,393 3.037,394 1.919,395 4.612,396 2.601,397 1.655,398 2.237,400 4.635,401 1.551,402 2.913,403 1.802,404 4.464,405 2.395,406 1.412,407 2.059,409 4.264,410 1.383,411 2.663,412 1.529,413 3.622,414 2.143,415 1.199,416 1.738,417 2.677,418 1.123,419 2.236,420 1.289,421 3.485,422 2.096,423 1.126,424 1.218,425 2.514,426 1.075,427 1.788,428 1.114,429 3.417,430 1.555,431 0.659,432 0.721,433 1.779,434 0.584,435 1.522,436 0.775,437 3.136,438 1.141,439 0.274,440 0.329,441 0.651,442 0.212,443 1.298,444 0.747,445 2.979,446 0.94,451 15.781,452 0.478,453 1.282,454 0.039,455 49,456 1.485,457 26.5,458 0.803,459 22.5,460 0.682,461 25.463,462 0.772,463 36.419,464 0.728,465 41.341,466 1.253,467 9.31,468 0.282,469 6.167,470 0.187,471 0.187,472 0.106,473 0.285,478 0.72,479 1.433,480 0.744,481 1.272,482 0.782,483 0.833,484 0.749,485 1.073,486 0.95,487 1.052,488 0.499,489 0.878,490 1.246,491 1.115,492 1.002,493 0.877,494 1.209,495 1.014,496 0.924,497 1.137,498 0.945,499 1.009,500 0.823,501 1.023,502 0.865,503 0.987,504 0.877,505 0.885,506 0.84,507 0.968,508 0.909,509 1.126,510 1.021,511 1.123,512 1.068,513 0.977,514 0.802,515 1.006,516 1.022,517 1.039,518 0.762,519 1.035,520 1.046,521 0.911,522 0.864,523 0.773,524 1.187,525 0.971,526 10.5,527 0.242,528 3.333,529 2.813,530 2.138,531 1.347,532 1.126,533 0.531,534 0.403,535 0.285,536 15063,537 62010,538 2.011,539 34,541 9,542 2,543 1,544 5,549 1.754,550 1.833,551 3.477,552 2.521,558 104.628,559 2.093,560 4.061,561 4.959,562 5.349,563 5.389,564 5.389,565 2.821,566 4.476,567 5.022,568 3.717,569 1962.43,570 8.8,571 29735.5,576 282.193,577 1.748,578 4.937,579 0.292,580 0.008,581 0.062,582 0.056,583 0.043,584 0.027,585 0.023,586 0.011,587 0.011,588 0.009,589 0.542,590 0.17,591 0.75,592 1.025,593 175.093,594 -0.049,595 -0.181,596 0.156,597 -0.123,598 -0.229,599 0.051,600 0.181,601 0.039,602 -0.112,603 -0.048,604 0.34,605 -0.004,606 -0.326,607 -0.084,608 -0.195,609 -0.01,610 -0.254,611 -0.124,612 -0.069,613 -0.137,614 -0.027,615 -0.084,616 -0.066,617 -0.052,618 -0.005,619 0.063,620 0.025,621 0.037,622 -0.026,623 -0.03,624 -0.028,625 -0.114,626 0.05,627 -0.082,628 -0.156,629 0.038,630 0.237,631 0.027,632 -0.098,633 -0.097,634 0.406,635 -0.128,636 -0.074,637 0.032,638 -0.017,639 0.086,640 -0.122,641 0.01,642 5.04,643 4.835,644 0.636,645 32.206,646 1.047,647 1.13,648 0.331,649 0.109,650 0.71,651 3.611,652 4.007,653 4.174,654 4.466,655 4.682,656 4.779,657 4.92,658 4.97,659 5.004,660 5.056,661 7.354,662 0.696,663 513,664 3.611,665 5.198,666 6.033,667 6.942,668 7.797,669 8.703,670 9.567,671 10.469,672 11.34,673 12.239,674 12,678 1,679 1,682 2,684 2,690 7,691 2,695 9,697 18,709 2,714 2,715 1,716 50,718 22,719 2,720 36,722 53,723 18,724 16,725 7,726 5,728 4,729 5,730 1,740 16,741 2,744 4,747 2,749 4,760 17,761 12,762 5,763 15,764 3,769 6,775 0.75,776 6,788 1,793 1,794 3,797 1,819 3,821 2,823 1,824 1,827 33,828 1,831 2,833 1,834 3,835 2,849 1,850 12,853 4,855 2,858 18,859 9.043,860 6.792,861 2.391,863 3.784,864 1.471,865 1.015,866 6.479,867 11.809,868 3.912,869 4.61,870 5.009,871 5.591,872 6.131,873 6.368,874 6.759,875 7.044,876 7.371,877 7.68,878 1,879 50,880 12.689,881 6.077,882 8.256,883 22.16,884 18.321,885 2.756,886 90.944,890 141.253,891 119.396,892 117.289,893 39.149,894 110.626,896 11.615,897 107.781,898 291.028,899 117.289,900 7.19,901 6.65,902 99.764,903 150.373,904 90.877,905 27.769,906 105.94,907 39.149,908 141.253,909 225.07,910 110.626,911 50.764,913 141.253,914 110.626,917 53.618,918 121.476,919 100.74,921 141.253,922 227.915,923 158.544,925 11.615,926 141.253,927 34.686,928 73.095,929 52.426,930 214.637,931 141.253,932 227.915,933 158.544,935 0.605,936 0.314,937 0.168,938 0.095,939 27,940 13,941 0.132,942 7,943 1,944 1.095,945 4.243,946 308.474,947 0.095,948 21,949 162.465,953 2,954 23.658,955 9.038,956 5.901,958 227.915,959 10.041,960 8.415,964 2.083,966 83.718,967 527.712,968 49,971 -7.792,973 46.834,980 52.353,981 56.521,983 0.371,984 0.72,985 0.879,986 0.948,987 0.955,988 0.955,989 5.19,990 1.801,991 6.103,992 6.156,993 4.691,994 5.298,995 1.805,996 6.969,997 4.547,998 6.478,999 1.655,1000 7.706,1001 5.261,1002 4.635,1003 5.585,1005 8.199,1006 4.38,1007 7.866,1008 1.412,1009 9.416,1010 4.635,1011 6.425,1012 7.687,1013 2.17,1014 11.152,1015 6.13,1016 9.288,1017 1.199,1018 11.187,1019 4.264,1020 7.083,1021 8.683,1023 13.111,1024 6.667,1025 10.738,1026 1.126,1027 12.998,1028 2.677,1029 8.459,1030 10.391,1031 2.746,1032 15.689,1033 8,1034 12.208,1035 0.659,1036 14.836,1037 2.514,1038 9.409,1039 11.671,1041 17.927,1042 8.836,1043 13.693,1044 0.274,1045 16.693,1046 1.779,1047 10.644,1048 13.249,1049 3.372,1050 20.394,1051 10.014,1052 3.336,1054 18.565,1055 0.651,1056 11.719,1057 14.651,1059 22.743,1060 10.983,1061 3.145,1062 11.733,1063 20.449,1065 12.906,1066 16.183,1067 4.015,1068 25.179,1069 12.102,1070 3.129,1071 10.781,1072 22.343,1073 4.677,1074 14.034,1075 17.641,1077 27.574,1078 13.132,1079 2.743,1080 10.198,1081 24.245,1082 4.438,1083 15.207,1084 19.158,1085 4.667,1086 30.004,1087 14.228,1088 2.519,1089 8.154,1090 26.153,1091 4.173,1092 16.36,1093 20.644,1095 32.42,1096 15.287,1097 2.322,1098 7.586,1099 28.068,1100 3.716,1101 17.531,1102 22.157,1103 5.323,1104 34.851,1105 16.375,1106 2.08,1107 7.091,1108 29.987,1109 3.547,1110 18.696,1111 23.659,1113 37.278,1114 17.449,1115 14504,1116 29619,1117 23.057,1118 35.483,1119 54.656,1120 58.351,1121 55.302,1122 54.884,1123 54.801,1124 73.804,1125 5.446,1126 166.964,1127 50.832,1128 5.673,1129 6.663,1130 6.674,1131 5.337,1132 5.336,1133 7.677,1134 2.783,1135 18.89,1136 5.042,1137 20.425,1138 1.518,1139 1.621,1140 1.536,1141 1.525,1142 1.522,1143 2.05,1144 0.151,1145 4.638,1146 1.412,1147 4.104,1148 4.095,1149 4.743,1150 4.076,1151 7.728,1152 3.995,1153 3.975,1154 3.986,1155 4.7,1156 3.896,1157 7.717,1158 3.878,1159 3.916,1160 3.863,1161 4.054,1162 3.869,1163 6.999,1164 3.734,1165 3.805,1166 3.838,1167 3.822,1168 3.639,1169 6.999,1170 3.654,1171 3.591,1172 3.588,1173 3.658,1174 3.501,1175 5.087,1176 3.436,1177 3.305,1178 3.325,1179 3.495,1180 3.05,1181 4.983,1182 3.081,1183 3.1,1184 3.176,1185 3.028,1186 2.892,1187 4.827,1188 2.912,1189 2.984,1190 3.061,1191 2.923,1192 2.802,1193 4.71,1194 2.811,1195 0.134,1196 0.13,1197 0.198,1198 0.118,1199 0.093,1200 4.815,1201 0.13,1202 4.663,1203 0.039,1204 7.123,1205 0.326,1206 4.255,1207 0.085,1208 3.336,1209 4.677,1210 1.392,1211 11.733,1212 3.042,1213 1.973,1214 1.978,1215 1.975,1216 2.069,1217 1.182,1218 2.091,1219 1.864,1220 1.848,1221 1.911,1222 1.986,1223 1.057,1224 1.976,1225 1.708,1226 1.735,1227 1.782,1228 1.863,1229 0.947,1230 1.901,1231 1.683,1232 1.663,1233 1.605,1234 1.816,1235 0.78,1236 1.848,1237 1.428,1238 1.451,1239 1.435,1240 1.614,1241 0.578,1242 1.648,1243 1.165,1244 1.132,1245 1.284,1246 1.52,1247 0.518,1248 1.486,1249 1.015,1250 0.945,1251 1.219,1252 1.281,1253 0.278,1254 1.275,1255 0.891,1256 0.814,1257 1.128,1258 1.165,1259 0.179,1260 1.167,1261 4.29,1263 5.666,1264 2.398,1265 7.204,1266 4.595,1267 8.819,1268 6.605,1269 10.476,1271 0.933,1272 6.276,1275 5.212,1277 0.061,1278 8.084,1279 10.798,1289 34.78,1290 104.628,1291 203.057,1292 247.928,1293 267.438,1294 269.438,1295 269.438,1296 80.383,1297 8.026,1298 174.63,1299 191.39,1300 23,1301 12.767,1302 4.524,1303 3.807,1304 54.303,1305 148,1306 109,1307 0.178,1308 222.85,1309 385.03,1310 535.515,1311 37666,1312 2,1313 23.803,1314 0.721,1315 0.583,1316 24.803,1317 19.253,1318 15.476,1319 0.43,1320 0.358,1321 9.208,1322 12.863,1323 8.695,1324 7.18,1325 17.586,1326 12.903,1327 16.21,1328 0.3,1329 0.195,1330 19.351,1331 10.554,1332 11.183,1333 0.175,1334 0.094,1335 12.722,1336 6.006,1337 9.692,1338 0.113,1339 0.049,1340 11.003,1341 4.244,1342 7.776,1343 0.073,1344 0.027,1345 9.068,1346 2.892,1347 0.281,1348 120.371,1349 0.208,1350 30.561,1351 0.485,1352 180,1353 685.938,1354 285.698,1355 720.088,1356 946.31,1357 656,1358 208,1359 617.963,1360 322.498,1361 697.335,1362 1004.72,1363 645,1364 4.85}
{0 CHEMBL496968,1 2.059,2 11.618,3 3.411,4 11.636,5 128.197,6 9.944,7 0.486,8 4.128,9 4.203,10 4.134,11 3.672,12 5.274,13 3.66,14 4.659,15 4.765,16 4.357,17 4.008,18 6.215,19 4.009,20 4.84,21 4.993,22 4.321,23 4.089,24 6.137,25 4.065,26 4.797,27 4.962,28 4.375,29 4.107,30 6.054,31 4.057,32 4.855,33 5.013,34 4.426,35 4.116,36 6.143,37 4.085,38 4.875,39 5.057,40 4.438,41 4.126,42 6.221,43 4.061,44 4.861,45 5.023,46 4.423,47 4.045,48 6.12,49 4.005,50 4.833,51 5.017,52 4.308,53 3.966,54 6.504,55 3.915,56 0.293,57 0.881,58 10.233,59 5.106,60 35.167,61 4.349,62 0.955,63 1.309,64 24.302,65 9.06,66 101.585,67 8.405,68 1.15,69 1.451,70 22.096,71 8.674,72 125.889,73 7.853,74 0.9,75 1.446,76 29.662,77 10.753,78 63.671,79 11.339,80 1.077,81 1.51,82 23.509,83 8.833,84 100.553,85 8.774,86 1.077,87 1.531,88 40.137,89 12.241,90 86.412,91 13.261,92 1.181,93 1.495,94 28.391,95 8.973,96 136.802,97 7.966,98 1.369,99 1.371,100 35.614,101 10.972,102 196.994,103 12.151,104 58,105 55,106 0.337,107 0.638,108 0.753,109 0.807,110 0.816,111 0.816,112 3.561,113 1.108,114 -1.79,115 -1.85,116 -1.86,118 35.8,123 2,125 1,138 6,140 7,141 1,143 1,146 1,167 1,170 4,171 3,173 7,175 7,178 4,182 2,184 1,186 2,188 1,192 14,195 2,196 4,197 5,203 1,204 4,211 2,214 1,215 8,218 12,220 2,223 3,227 1,228 2,231 1,233 2,239 13,240 1,243 1,244 2,245 4,247 1,252 2,260 4,264 2070,265 21.754,266 21.754,267 21.754,268 21.754,269 21.754,270 18.776,271 33.486,272 12.527,273 22.465,274 18.375,275 18.375,276 18.375,277 18.375,278 18.375,279 13.692,280 55.692,281 6.076,282 19.671,283 3.669,284 1.833,285 1.128,286 0.797,287 0.745,288 0.745,289 4.248,290 1,295 840,296 4.528,299 79.515,300 327.89,303 147.181,307 1.862,308 56.379,311 0.5,312 0.67,313 0.67,314 0.2,316 0.5,317 0.5,318 0.43,319 77.333,320 395,321 4.658,322 4.312,323 6.684,324 4.111,325 3.171,326 4.454,327 1.392,328 10.781,329 2.97,330 4.634,331 4.31,332 6.473,333 4.082,334 3.145,335 4.433,336 0.532,337 10.266,338 2.93,339 4.489,340 3.486,341 6.445,342 4.051,343 3.119,344 4.173,345 0.4,346 10.162,347 2.886,348 4.18,349 2.981,350 5.789,351 3.729,352 2.785,353 3.82,354 0.4,355 8.338,356 2.63,357 4.02,358 2.92,359 5.67,360 3.548,361 2.605,362 3.632,364 7.759,365 2.441,366 3.629,367 2.725,368 5.506,369 3.242,370 2.337,371 2.948,373 7.174,374 2.099,375 3.429,376 2.385,377 5.099,378 3.036,379 2.107,380 2.706,382 6.234,383 1.931,384 3.263,385 2.154,386 4.891,387 2.852,388 1.891,389 2.514,391 5.673,392 1.812,393 3.163,394 2.088,395 4.735,396 2.724,397 1.787,398 2.4,400 5.189,401 1.653,402 3.029,403 1.895,404 4.608,405 2.593,406 1.647,407 2.228,409 4.627,410 1.545,411 2.664,412 1.796,413 3.622,414 2.144,415 1.201,416 1.74,417 2.678,418 1.124,419 2.236,420 1.292,421 3.485,422 2.096,423 1.126,424 1.218,425 2.514,426 1.075,427 1.788,428 1.114,429 3.417,430 1.555,431 0.659,432 0.721,433 1.779,434 0.584,435 1.522,436 0.775,437 3.15,438 1.141,439 0.274,440 0.329,441 0.652,442 0.212,443 1.301,444 0.773,445 3.123,446 0.941,451 16.281,452 0.479,453 1.309,454 0.038,455 50.25,456 1.478,457 27,458 0.794,459 23.25,460 0.684,461 26.724,462 0.786,463 37.719,464 0.712,465 42.363,466 1.246,467 9.539,468 0.281,469 6.411,470 0.189,471 0.187,472 0.102,473 0.276,478 0.697,479 1.516,480 0.738,481 1.308,482 0.727,483 0.884,484 0.752,485 1.166,486 1.028,487 1.15,488 0.519,489 0.913,490 1.364,491 1.01,492 0.944,493 0.716,494 1.397,495 0.96,496 0.734,497 1.066,498 0.958,499 1.044,500 0.516,501 0.988,502 1.08,503 1.092,504 0.862,505 0.878,506 1.085,507 0.999,508 0.563,509 1.04,510 0.945,511 1.024,512 0.559,513 0.945,514 1.229,515 1.112,516 1.022,517 1.053,518 1.418,519 1.088,520 0.53,521 0.959,522 0.888,523 0.989,524 0.51,525 0.914,526 11,527 0.263,528 2.667,529 3.063,530 1.88,531 1.514,532 0.878,533 0.844,534 0.369,535 0.333,536 16426,537 65791,538 2.011,539 35.8,541 12,542 2,543 1,544 4,549 1.762,550 1.838,551 3.455,552 1.721,558 109.139,559 2.059,560 3.895,561 4.6,562 4.93,563 4.982,564 4.982,565 2.796,566 4.197,567 5.064,568 3.748,569 2102.77,570 8.889,571 32925.6,576 303.58,577 1.729,578 4.983,579 0.297,580 0.008,581 0.048,582 0.063,583 0.036,584 0.03,585 0.016,586 0.019,587 0.008,588 0.01,589 0.536,590 0.17,591 0.75,592 1.1,593 182.48,594 -0.024,595 -0.255,596 0.169,597 -0.153,598 -0.199,599 0.019,600 0.188,601 -0.04,602 -0.137,603 -0.113,604 0.322,605 -0.018,606 -0.386,607 0.015,608 -0.185,609 0.084,610 -0.352,611 -0.093,612 0.046,613 -0.042,614 -0.001,615 -0.072,616 0.089,617 0.011,618 -0.193,619 -0.05,620 -0.042,621 -0.016,622 -0.207,623 -0.092,624 0.24,625 -0.028,626 0.084,627 -0.018,628 0.185,629 0.081,630 -0.247,631 -0.045,632 -0.089,633 -0.096,634 -0.365,635 -0.182,636 0.442,637 0.017,638 0.095,639 0.013,640 0.594,641 0.098,642 4.525,643 4.66,644 0.618,645 35.64,646 1.042,647 1.131,648 0.558,649 0.311,650 0.703,651 3.638,652 4.025,653 4.159,654 4.489,655 4.663,656 4.812,657 4.875,658 5.094,659 4.977,660 5.142,661 7.577,662 0.685,663 527.03,664 3.638,665 5.22,666 6.043,667 6.952,668 7.791,669 8.7,670 9.547,671 10.455,672 11.308,673 12.214,674 11.3,679 2,682 2,684 2,690 7,691 2,695 9,697 18,709 2,714 2,715 1,716 53,718 22,719 2,720 37,722 56,723 19,724 16,725 7,726 5,728 4,729 5,730 1,740 16,741 3,744 4,747 2,749 4,760 19,761 12,762 4,763 15,764 3,769 6,775 0.75,776 6,788 1,793 1,794 3,797 1,819 3,821 2,823 2,824 1,827 34,831 2,833 1,834 4,835 2,849 1,850 11.3,853 4,855 2,858 18.5,859 9.96,860 7,861 2.565,863 3.777,864 1.467,865 1.004,866 6.978,867 11.86,868 3.932,869 4.62,870 4.961,871 5.579,872 6.081,873 6.364,874 6.635,875 7.156,876 7.277,877 7.726,878 1,879 49,880 12.935,881 6.009,882 8.19,883 22.999,884 18.879,885 2.69,886 91.444,890 176.567,891 127.792,892 102.403,893 39.149,894 110.626,896 11.615,897 116.177,898 326.341,899 102.403,900 14.381,901 6.65,902 68.472,903 166.778,904 92.083,905 27.769,906 141.253,907 39.149,908 176.567,909 218.58,910 110.626,911 50.764,913 176.567,914 110.626,917 53.618,918 98.581,919 117.145,921 176.567,922 213.028,923 166.941,925 11.615,926 176.567,927 35.892,928 80.286,929 68.831,930 183.345,931 176.567,932 213.028,933 166.941,935 0.6,936 0.298,937 0.168,938 0.091,939 27,940 13,941 0.143,942 8,943 1,944 1.095,945 4.347,946 318.253,947 0.095,948 21,949 154.974,953 2,954 24.625,955 9.634,956 6.779,958 213.028,959 10.715,960 8.524,964 2.988,966 68.831,967 556.536,968 50,971 -7.217,973 46.641,980 55.236,981 59.937,983 0.36,984 0.68,985 0.803,986 0.861,987 0.87,988 0.87,989 5.207,990 1.891,991 6.107,992 6.234,993 4.71,994 5.308,995 1.805,996 6.952,997 4.574,998 6.489,999 1.787,1000 7.69,1001 5.673,1002 4.635,1003 5.585,1005 8.122,1006 4.395,1007 7.87,1008 1.647,1009 9.374,1010 5.189,1011 6.422,1012 7.675,1013 2.17,1014 11.041,1015 6.155,1016 9.283,1017 1.201,1018 11.114,1019 4.627,1020 7.04,1021 8.64,1023 12.911,1024 6.665,1025 10.721,1026 1.126,1027 12.887,1028 2.678,1029 8.41,1030 10.335,1031 2.746,1032 15.444,1033 8.004,1034 12.176,1035 0.659,1036 14.682,1037 2.514,1038 9.317,1039 11.577,1041 17.59,1042 8.812,1043 13.644,1044 0.274,1045 16.494,1046 1.779,1047 10.539,1048 13.137,1049 3.372,1050 19.999,1051 9.99,1052 3.171,1054 18.317,1055 0.652,1056 11.574,1057 14.5,1059 22.26,1060 10.936,1061 3.145,1062 10.781,1063 20.15,1065 12.739,1066 16.008,1067 4.015,1068 24.627,1069 12.047,1070 3.119,1071 10.266,1072 21.991,1073 4.454,1074 13.83,1075 17.427,1077 26.937,1078 13.058,1079 2.785,1080 10.162,1081 23.838,1082 4.433,1083 14.976,1084 18.914,1085 4.667,1086 29.292,1087 14.142,1088 2.605,1089 8.338,1090 25.69,1091 4.173,1092 16.093,1093 20.361,1095 31.624,1096 15.183,1097 2.337,1098 7.759,1099 27.547,1100 3.82,1101 17.233,1102 21.841,1103 5.323,1104 33.975,1105 16.258,1106 2.107,1107 7.174,1108 29.407,1109 3.632,1110 18.363,1111 23.303,1113 36.319,1114 17.314,1115 15841,1116 31891,1117 23.75,1118 37.244,1119 55.571,1120 59.951,1121 56.217,1122 55.802,1123 55.708,1124 74.632,1125 5.446,1126 167.651,1127 51.783,1128 5.516,1129 6.312,1130 6.235,1131 5.192,1132 5.171,1133 7.454,1134 2.783,1135 17.937,1136 4.97,1137 21.016,1138 1.502,1139 1.62,1140 1.519,1141 1.508,1142 1.506,1143 2.017,1144 0.147,1145 4.531,1146 1.4,1147 4.073,1148 4.079,1149 4.727,1150 4.011,1151 7.721,1152 3.945,1153 3.972,1154 3.981,1155 4.704,1156 3.904,1157 7.714,1158 3.872,1159 3.93,1160 3.878,1161 4.054,1162 3.868,1163 6.999,1164 3.744,1165 3.824,1166 3.851,1167 3.861,1168 3.722,1169 6.999,1170 3.671,1171 3.71,1172 3.709,1173 3.717,1174 3.6,1175 5.087,1176 3.591,1177 3.306,1178 3.326,1179 3.495,1180 3.051,1181 4.983,1182 3.082,1183 3.117,1184 3.194,1185 3.045,1186 2.91,1187 4.726,1188 2.931,1189 2.988,1190 3.065,1191 2.924,1192 2.805,1193 4.706,1194 2.814,1195 0.126,1196 0.117,1197 0.181,1198 0.111,1199 0.086,1200 4.658,1201 0.12,1202 4.312,1203 0.038,1204 6.684,1205 0.291,1206 4.111,1207 0.08,1208 3.171,1209 4.454,1210 1.392,1211 10.781,1212 2.97,1213 1.94,1214 1.927,1215 1.986,1216 2.065,1217 1.146,1218 2.076,1219 1.864,1220 1.848,1221 1.912,1222 1.985,1223 1.057,1224 1.976,1225 1.708,1226 1.749,1227 1.783,1228 1.864,1229 0.969,1230 1.925,1231 1.705,1232 1.682,1233 1.615,1234 1.845,1235 0.899,1236 1.864,1237 1.602,1238 1.612,1239 1.595,1240 1.724,1241 0.774,1242 1.774,1243 1.166,1244 1.133,1245 1.435,1246 1.521,1247 0.578,1248 1.486,1249 1.035,1250 0.966,1251 1.235,1252 1.298,1253 0.287,1254 1.289,1255 0.913,1256 0.835,1257 1.17,1258 1.182,1259 0.254,1260 1.208,1261 4.317,1263 5.687,1264 2.398,1265 7.21,1266 4.595,1267 8.809,1268 6.605,1269 10.451,1271 1.963,1272 6.299,1277 0.072,1278 10.624,1279 10.837,1289 36.306,1290 109.139,1291 206.419,1292 243.805,1293 261.315,1294 264.07,1295 264.07,1296 82.483,1297 8.082,1298 160.64,1299 177.4,1300 23,1301 12.742,1302 4.524,1303 3.807,1304 56.799,1305 157,1306 116,1307 0.175,1308 232.443,1309 402.33,1310 558.92,1311 40640,1312 1.9,1313 24.51,1314 0.721,1315 0.593,1316 25.51,1317 20.176,1318 15.949,1319 0.431,1320 0.369,1321 9.654,1322 13.324,1323 9.043,1324 7.495,1325 18.092,1326 13.671,1327 16.778,1328 0.305,1329 0.202,1330 19.914,1331 11.123,1332 10.957,1333 0.174,1334 0.091,1335 12.217,1336 5.721,1337 10.155,1338 0.115,1339 0.049,1340 11.463,1341 4.344,1342 7.588,1343 0.072,1344 0.026,1345 8.654,1346 2.722,1347 0.277,1348 123.665,1349 0.205,1350 31.389,1351 0.475,1352 184,1353 694.959,1354 287.385,1355 727.172,1356 955.75,1357 664,1358 210,1359 626.71,1360 323.274,1361 702.823,1362 1006.86,1363 649,1364 5.144}
{0 CHEMBL497194,1 2.029,2 10.875,3 3.696,4 13.661,5 118.035,6 10.143,7 0.514,8 4.046,9 4.106,10 4.077,11 3.659,12 5.195,13 3.625,14 4.584,15 4.676,16 4.342,17 4.012,18 6.115,19 3.997,20 4.765,21 4.884,22 4.349,23 4.101,24 6.149,25 4.07,26 4.78,27 4.917,28 4.4,29 4.087,30 6.078,31 4.035,32 4.79,33 4.955,34 4.482,35 4.086,36 6.082,37 4.031,38 4.799,39 4.928,40 4.338,41 4.028,42 6.424,43 3.999,44 4.777,45 4.96,46 4.184,47 3.905,48 6.234,49 3.858,50 4.551,51 4.753,52 3.979,53 3.772,54 5.759,55 3.71,56 0.252,57 0.771,58 8.33,59 5.276,60 35.37,61 4.179,62 0.825,63 1.203,64 20.803,65 9.008,66 99.977,67 7.803,68 0.955,69 1.371,70 22.906,71 9.712,72 107.503,73 7.993,74 0.986,75 1.388,76 25.071,77 10.138,78 103.703,79 9.153,80 0.966,81 1.443,82 31.373,83 10.864,84 95.196,85 10.365,86 1.225,87 1.384,88 31.962,89 10.309,90 198.252,91 9.245,92 1.272,93 1.309,94 25.852,95 9.066,96 147.342,97 9.271,98 0.741,99 1.124,100 24.257,101 7.9,102 66.478,103 8.465,104 54,105 53,106 0.337,107 0.644,108 0.753,109 0.812,110 0.812,111 0.812,112 3.502,113 1.129,114 -3.23,115 -3.22,116 -3.09,118 38.8,123 2,125 1,138 6,140 7,141 1,143 1,146 1,167 1,170 4,171 3,173 3,175 3,178 4,182 10,184 1,186 2,188 1,192 6,195 2,196 1,197 3,203 1,204 8,206 4,211 2,214 5,215 4,220 2,223 3,227 9,228 2,231 1,233 2,239 1,240 1,243 1,245 2,247 1,252 6,255 4,260 4,264 1684,265 20.493,266 20.493,267 20.493,268 20.493,269 20.493,270 17.667,271 30.044,272 11.618,273 21.475,274 17.314,275 17.314,276 17.314,277 17.314,278 17.314,279 12.832,280 48.39,281 5.566,282 19.05,283 3.586,284 1.738,285 1.082,286 0.725,287 0.725,288 0.725,289 4.189,290 1,294 1,295 744,296 4.301,299 73.121,300 301.326,303 135.454,307 1.719,308 58.591,311 1,312 0.67,313 1,314 0.4,316 0.83,317 1,318 0.7,319 72.333,320 348,321 4.869,322 5.209,323 7.183,324 4.273,325 3.398,326 4.75,327 2.95,328 11.964,329 2.953,330 4.735,331 5.151,332 7.052,333 4.085,334 3.23,335 4.573,336 2.95,337 11.446,338 2.93,339 4.489,340 3.486,341 6.684,342 4.082,343 3.145,344 4.173,345 1.392,346 10.781,347 2.72,348 4.096,349 2.962,350 5.726,351 3.649,352 2.728,353 3.69,354 0.532,355 8.076,356 2.507,357 3.836,358 2.907,359 5.609,360 3.379,361 2.436,362 3.379,363 0.4,364 7.428,365 2.285,366 3.618,367 2.735,368 5.351,369 3.195,370 2.286,371 2.944,372 0.4,373 6.886,374 2.039,375 3.335,376 2.464,377 4.929,378 2.883,379 1.961,380 2.605,382 5.748,383 1.785,384 3.07,385 2.433,386 4.624,387 2.625,388 1.68,389 2.277,391 4.703,392 1.566,393 2.99,394 2.111,395 4.549,396 2.496,397 1.538,398 2.175,400 4.557,401 1.465,402 2.814,403 1.936,404 4.377,405 2.254,406 1.285,407 1.914,409 3.92,410 1.234,411 2.662,412 1.802,413 3.622,414 2.142,415 1.198,416 1.737,417 2.677,418 1.122,419 2.236,420 1.297,421 3.485,422 2.096,423 1.126,424 1.218,425 2.514,426 1.075,427 1.788,428 1.115,429 3.417,430 1.555,431 0.659,432 0.721,433 1.779,434 0.584,435 1.522,436 0.826,437 2.979,438 1.141,439 0.274,440 0.329,441 0.651,442 0.212,443 1.294,444 0.775,445 2.907,446 0.94,451 15.481,452 0.484,453 1.255,454 0.039,455 47.75,456 1.492,457 26,458 0.813,459 21.75,460 0.68,461 24.795,462 0.775,463 34.919,464 0.713,465 39.76,466 1.242,467 8.998,468 0.281,469 6.005,470 0.188,471 0.197,472 0.108,473 0.291,478 0.649,479 1.347,480 0.749,481 1.223,482 0.703,483 0.863,484 0.83,485 1.018,486 0.963,487 1.045,488 0.593,489 0.826,490 1.245,491 1.142,492 1.081,493 0.985,494 1.262,495 1.027,496 1.044,497 1.133,498 0.872,499 0.923,500 1.061,501 1.074,502 0.682,503 1.062,504 0.917,505 1.066,506 0.704,507 0.901,508 1.051,509 1.251,510 1.219,511 1.197,512 1.044,513 1.108,514 0.949,515 0.839,516 0.789,517 0.673,518 1.106,519 0.922,520 0.813,521 0.924,522 0.837,523 0.846,524 0.668,525 0.868,526 10,527 0.222,528 4,529 2.563,530 2.236,531 1.625,532 0.761,533 0.5,534 0.436,535 0.238,536 13744,537 54469,538 2.011,539 34.7,541 12,542 2,543 1,544 2,549 1.746,550 1.829,551 3.374,552 0.363,554 1,558 99.414,559 2.029,560 3.877,561 4.533,562 4.89,563 4.89,564 4.89,565 2.635,566 4.117,567 4.979,568 3.642,569 1806.53,570 8.71,571 26704.6,576 275.121,577 1.766,578 4.889,579 0.286,580 0.009,581 0.075,582 0.05,583 0.047,584 0.032,585 0.016,586 0.013,587 0.013,588 0.008,589 0.548,590 0.33,591 0.75,592 0.886,593 167.695,594 0.001,595 -0.154,596 0.154,597 -0.089,598 -0.177,599 0.024,600 0.09,601 0.069,602 -0.08,603 -0.014,604 0.239,605 0.069,606 -0.294,607 -0.099,608 -0.226,609 -0.067,610 -0.219,611 -0.142,612 -0.127,613 -0.142,614 -0.009,615 -0.044,616 -0.178,617 -0.148,618 0.133,619 0.015,620 0.128,621 -0.03,622 0.04,623 0.095,624 -0.014,625 -0.238,626 -0.214,627 -0.206,628 0.169,629 -0.173,630 0.061,631 0.144,632 0.029,633 0.138,634 -0.033,635 0.021,636 -0.034,637 0.097,638 0.063,639 0.068,640 0.003,641 0.152,642 4.575,643 5.001,644 0.656,645 29.125,646 1.041,647 1.121,648 1.999,649 3.995,650 0.719,651 3.584,652 3.989,653 4.19,654 4.443,655 4.7,656 4.779,657 4.875,658 4.927,659 4.949,660 5.024,661 7.105,662 0.699,663 496.99,664 3.584,665 5.176,666 6.023,667 6.932,668 7.803,669 8.707,670 9.586,671 10.487,672 11.37,673 12.27,674 8.2,682 2,684 2,690 7,691 2,695 9,697 18,709 2,714 2,715 1,716 49,718 22,719 2,720 35,722 52,723 19,724 16,725 7,726 5,728 4,729 5,730 1,740 16,741 3,744 4,747 2,749 4,760 17,761 10,762 2,763 13,764 3,769 4,775 0.75,776 6,788 1,793 1,794 3,797 1,819 3,821 2,823 2,824 1,827 32,830 2,833 1,834 2,835 2,849 1,850 12.2,853 4,855 2,858 17.5,859 9.46,860 6.583,861 2.44,863 3.79,864 1.476,865 1.008,866 6.047,867 11.757,868 3.892,869 4.6,870 5.055,871 5.602,872 6.179,873 6.431,874 6.771,875 7.045,876 7.332,877 7.692,878 0.857,879 51,880 12.281,881 5.878,882 8.201,883 21.734,884 18.196,885 2.701,886 86.444,890 176.567,891 125.857,892 69.593,893 39.149,894 110.626,896 12.092,897 113.765,898 326.341,899 69.593,900 14.381,901 6.65,902 68.949,903 133.968,904 89.671,905 27.769,906 141.253,907 39.149,908 176.567,909 183.358,910 110.626,911 51.241,913 176.567,914 110.626,917 53.618,918 96.169,919 84.812,921 176.567,922 180.218,923 165.006,925 12.092,926 176.567,927 33.48,928 80.286,929 36.022,930 183.345,931 176.567,932 180.218,933 165.006,935 0.61,936 0.331,937 0.166,938 0.099,939 27,940 13,941 0.115,942 6,943 1,944 1.095,945 4.136,946 298.857,947 0.095,948 21,949 144,953 2,954 22.767,955 8.5,956 5.164,958 180.218,959 10.113,960 8.431,964 2.185,966 36.022,967 521.791,968 48,971 -7.316,973 48.002,980 51.033,981 54.94,983 0.361,984 0.69,985 0.807,986 0.871,987 0.871,988 0.871,989 5.173,990 1.68,991 6.098,992 5.748,993 4.673,994 5.288,995 3.711,996 6.986,997 4.483,998 6.467,999 1.538,1000 7.721,1001 4.703,1002 4.635,1003 5.585,1005 8.271,1006 4.248,1007 7.861,1008 1.285,1009 9.456,1010 4.557,1011 6.428,1012 7.698,1013 5.742,1014 11.251,1015 6.015,1016 9.294,1017 1.198,1018 11.256,1019 3.92,1020 7.124,1021 8.725,1023 13.278,1024 6.494,1025 10.756,1026 1.126,1027 13.098,1028 2.677,1029 8.506,1030 10.443,1031 7.883,1032 15.886,1033 7.835,1034 12.239,1035 0.659,1036 14.968,1037 2.514,1038 9.492,1039 11.757,1041 18.179,1042 8.623,1043 13.738,1044 0.274,1045 16.858,1046 1.779,1047 10.74,1048 13.349,1049 10.042,1050 20.678,1051 9.798,1052 3.398,1054 18.763,1055 0.651,1056 11.845,1057 14.782,1059 23.07,1060 10.729,1061 3.23,1062 11.964,1063 20.678,1065 13.049,1066 16.332,1067 12.205,1068 25.536,1069 11.836,1070 3.145,1071 11.446,1072 22.602,1073 4.75,1074 14.204,1075 17.818,1077 27.965,1078 12.836,1079 2.728,1080 10.781,1081 24.533,1082 4.573,1083 15.396,1084 19.354,1085 14.368,1086 30.422,1087 13.915,1088 2.436,1089 8.076,1090 26.469,1091 4.173,1092 16.572,1093 20.866,1095 32.867,1096 14.948,1097 2.286,1098 7.428,1099 28.409,1100 3.69,1101 17.763,1102 22.399,1103 16.532,1104 35.323,1105 16.017,1106 1.961,1107 6.886,1108 30.353,1109 3.379,1110 18.95,1111 23.923,1113 37.775,1114 17.067,1115 13213,1116 26481,1117 22.364,1118 35.233,1119 53.723,1120 58.784,1121 54.469,1122 54.157,1123 53.889,1124 72.971,1125 17.246,1126 166.26,1127 48.952,1128 5.726,1129 7.209,1130 6.734,1131 5.355,1132 5.398,1133 7.75,1134 5.9,1135 19.27,1136 4.953,1137 19.831,1138 1.535,1139 1.68,1140 1.556,1141 1.547,1142 1.54,1143 2.085,1144 0.493,1145 4.75,1146 1.399,1147 4.148,1148 4.121,1149 4.777,1150 4.168,1151 7.72,1152 4.063,1153 3.978,1154 3.99,1155 4.686,1156 3.92,1157 7.711,1158 3.88,1159 3.893,1160 3.844,1161 4.053,1162 3.87,1163 6.999,1164 3.748,1165 3.805,1166 3.822,1167 3.806,1168 3.635,1169 6.999,1170 3.656,1171 3.519,1172 3.531,1173 3.574,1174 3.429,1175 5.086,1176 3.377,1177 3.305,1178 3.324,1179 3.495,1180 3.05,1181 4.981,1182 3.081,1183 3.07,1184 3.147,1185 2.992,1186 2.859,1187 4.71,1188 2.878,1189 2.953,1190 3.033,1191 2.921,1192 2.774,1193 4.622,1194 2.778,1195 0.139,1196 0.149,1197 0.205,1198 0.122,1199 0.097,1200 4.869,1201 0.136,1202 5.209,1203 0.084,1204 7.183,1205 0.342,1206 4.273,1207 0.084,1208 3.398,1209 4.75,1210 2.95,1211 11.964,1212 2.953,1213 2.025,1214 2.048,1215 1.974,1216 2.078,1217 1.289,1218 2.123,1219 1.865,1220 1.848,1221 1.911,1222 1.988,1223 1.057,1224 1.977,1225 1.708,1226 1.753,1227 1.783,1228 1.862,1229 0.995,1230 1.876,1231 1.693,1232 1.666,1233 1.606,1234 1.781,1235 0.797,1236 1.853,1237 1.429,1238 1.42,1239 1.556,1240 1.59,1241 0.72,1242 1.63,1243 1.164,1244 1.132,1245 1.435,1246 1.519,1247 0.578,1248 1.485,1249 0.979,1250 0.903,1251 1.196,1252 1.248,1253 0.265,1254 1.245,1255 0.883,1256 0.806,1257 1.124,1258 1.147,1259 0.196,1260 1.153,1261 4.263,1263 5.645,1264 2.398,1265 7.198,1266 4.595,1267 8.829,1268 6.605,1269 10.501,1271 1.986,1272 6.277,1277 0.07,1278 5.892,1279 10.804,1289 34.264,1290 99.414,1291 189.96,1292 222.101,1293 239.611,1294 239.611,1295 239.611,1296 79.183,1297 7.967,1298 136.58,1299 153.34,1300 23,1301 12.795,1302 4.524,1303 3.807,1304 51.843,1305 139,1306 102,1307 0.182,1308 218.854,1309 380.33,1310 525.764,1311 34718,1312 2,1313 23.096,1314 0.722,1315 0.599,1316 24.096,1317 19.176,1318 15.003,1319 0.429,1320 0.376,1321 9.186,1322 12.44,1323 8.566,1324 7.071,1325 17.081,1326 13.171,1327 15.642,1328 0.295,1329 0.214,1330 18.787,1331 11.348,1332 11.409,1333 0.176,1334 0.106,1335 13.228,1336 6.889,1337 9.238,1338 0.11,1339 0.054,1340 10.544,1341 4.517,1342 7.851,1343 0.072,1344 0.034,1345 9.517,1346 3.721,1347 0.286,1348 116.577,1349 0.211,1350 29.709,1351 0.497,1352 176,1353 658.293,1354 280.849,1355 691.508,1356 909.83,1357 632,1358 206,1359 590.01,1360 317.498,1361 666.588,1362 962.98,1363 617,1364 6.812}
{0 CHEMBL497195,1 1.982,2 10.806,3 3.172,4 10.063,5 112.861,6 9.828,7 0.529,8 4.008,9 4.088,10 3.911,11 3.568,12 5.233,13 3.57,14 4.509,15 4.61,16 4.234,17 3.93,18 5.984,19 3.935,20 4.689,21 4.817,22 4.262,23 4.023,24 6.047,25 4.01,26 4.722,27 4.87,28 4.259,29 3.996,30 6.015,31 3.971,32 4.722,33 4.899,34 4.311,35 3.977,36 6.04,37 3.953,38 4.703,39 4.855,40 4.192,41 3.919,42 6.253,43 3.904,44 4.667,45 4.859,46 4.076,47 3.807,48 6.104,49 3.778,50 4.469,51 4.672,52 3.853,53 3.679,54 5.683,55 3.636,56 0.249,57 0.742,58 7.118,59 4.287,60 29.021,61 3.645,62 0.709,63 1.123,64 15.787,65 7.393,66 75.613,67 6.853,68 0.797,69 1.285,70 19.386,71 8.205,72 79.38,73 7.411,74 0.896,75 1.302,76 21.6,77 8.521,78 89.648,79 8.357,80 0.885,81 1.322,82 25.391,83 8.624,84 75,85 9.226,86 1.012,87 1.254,88 25.283,89 8.198,90 151.513,91 8.226,92 1.063,93 1.189,94 22.982,95 7.45,96 115.784,97 8.139,98 0.653,99 1.016,100 20.246,101 6.69,102 55.71,103 7.542,104 41,105 50,106 0.333,107 0.694,108 0.825,109 0.894,110 0.894,111 0.894,112 3.472,113 0.977,114 -2.89,115 -2.9,116 -2.8,118 40.4,123 1,125 1,138 6,139 1,140 6,141 1,143 1,146 1,153 1,158 1,159 1,160 1,167 3,170 3,171 4,172 1,173 4,175 4,178 4,180 1,182 8,184 1,186 5,188 2,190 2,192 8,195 2,196 1,197 3,203 1,204 9,206 3,207 1,208 1,210 1,211 2,213 1,214 3,215 4,217 2,218 2,220 2,223 3,227 7,228 2,230 2,231 3,233 3,235 1,239 1,240 1,243 1,245 2,247 1,252 5,255 3,256 1,257 1,259 1,260 4,262 1,264 1555,265 20.228,266 20.228,267 20.228,268 20.228,269 20.228,270 17.559,271 29.716,272 11.618,273 20.945,274 16.807,275 16.807,276 16.807,277 16.807,278 16.807,279 12.611,280 46.997,281 5.548,282 18.086,283 3.573,284 1.421,285 0.644,286 0.229,287 0.229,288 0.229,289 4.162,290 1,293 1,294 1,295 719,296 3.937,299 70.208,300 289.59,303 130.105,307 1.721,308 50.351,311 1,312 0.67,313 1,314 0.4,316 0.83,317 0.5,318 0.63,319 69.833,320 335,321 4.815,322 5.181,323 7.124,324 4.213,325 3.336,326 4.677,327 2.95,328 11.739,329 2.958,330 4.489,331 3.504,332 6.684,333 4.082,334 3.145,335 4.173,336 1.392,337 10.781,338 2.93,339 4.186,340 3.486,341 5.986,342 3.764,343 2.8,344 3.779,345 0.98,346 8.567,347 2.649,348 4.047,349 2.952,350 5.709,351 3.607,352 2.664,353 3.634,354 0.532,355 7.92,356 2.49,357 3.663,358 2.88,359 5.58,360 3.306,361 2.372,362 2.976,363 0.4,364 7.285,365 2.225,366 3.584,367 2.686,368 5.264,369 3.161,370 2.229,371 2.912,372 0.4,373 6.596,374 2.022,375 3.29,376 2.438,377 4.864,378 2.839,379 1.908,380 2.55,382 5.522,383 1.75,384 3.052,385 2.141,386 4.617,387 2.615,388 1.669,389 2.253,391 4.645,392 1.559,393 2.952,394 1.992,395 4.489,396 2.435,397 1.468,398 2.113,400 4.353,401 1.41,402 2.665,403 1.813,404 3.717,405 2.144,406 1.199,407 1.739,409 2.698,410 1.124,411 2.612,412 1.7,413 3.621,414 2.097,415 1.126,416 1.558,417 2.635,418 1.077,419 2.236,420 1.29,421 3.484,422 2.084,423 1.068,424 1.218,425 2.513,426 1.073,427 1.788,428 1.114,429 3.417,430 1.555,431 0.659,432 0.721,433 1.779,434 0.584,435 1.522,436 0.775,437 2.979,438 1.141,439 0.274,440 0.329,441 0.651,442 0.212,443 1.294,444 0.693,445 2.907,446 0.94,451 14.714,452 0.475,453 1.055,454 0.034,455 45.75,456 1.476,457 24.5,458 0.79,459 21.25,460 0.685,461 22.923,462 0.739,463 33.286,464 0.708,465 37.481,466 1.209,467 8.969,468 0.289,469 5.733,470 0.185,471 0.178,472 0.057,473 0.34,478 0.768,479 1.279,480 0.685,481 1.074,482 0.735,483 0.796,484 0.82,485 0.997,486 0.847,487 0.981,488 0.569,489 0.826,490 1.16,491 1.204,492 1.048,493 1.036,494 1.168,495 1.046,496 1.063,497 1.154,498 0.996,499 1.015,500 1.083,501 1.081,502 0.726,503 1.042,504 0.852,505 0.986,506 0.695,507 0.902,508 1.024,509 1.209,510 1.143,511 1.091,512 1.025,513 1.073,514 0.882,515 0.786,516 0.846,517 0.728,518 1.012,519 0.918,520 0.837,521 0.99,522 0.86,523 0.897,524 0.701,525 0.923,526 8.5,527 0.189,528 3.556,529 2.313,530 2.098,531 1.34,532 0.679,533 0.438,534 0.374,535 0.202,536 12813,537 49047,538 2.038,539 34,541 9,542 2,543 1,544 4,549 1.737,550 1.869,551 3.387,552 1.728,554 1,558 93.136,559 1.982,560 4.134,561 4.911,562 5.326,563 5.326,564 5.326,565 2.659,566 4.543,567 4.932,568 3.636,569 1690.54,570 8.615,571 24458.9,576 261.066,577 1.663,578 4.859,579 0.25,580 0.008,581 0.071,582 0.047,583 0.046,584 0.029,585 0.015,586 0.012,587 0.012,588 0.007,589 0.496,590 0.17,591 0.75,592 0.873,593 161.046,594 -0.088,595 -0.089,596 0.092,597 -0.029,598 -0.183,599 0.053,600 0.094,601 0.089,602 -0.029,603 0.022,604 0.203,605 0.054,606 -0.24,607 -0.157,608 -0.187,609 -0.102,610 -0.185,611 -0.152,612 -0.131,613 -0.153,614 -0.086,615 -0.101,616 -0.185,617 -0.148,618 0.109,620 0.127,621 -0.015,622 0.065,623 0.08,624 -0.028,625 -0.202,626 -0.157,627 -0.143,628 0.119,629 -0.136,630 0.101,631 0.218,632 0.026,633 0.126,634 0.01,635 0.032,636 -0.038,637 0.015,638 0.042,639 0.037,640 -0.004,641 0.098,642 4.491,643 4.939,644 0.677,645 28.231,646 1.039,647 1.125,648 1.663,649 2.764,650 0.71,651 3.555,652 3.932,653 4.159,654 4.419,655 4.663,656 4.727,657 4.828,658 4.883,659 4.913,660 4.99,661 7.025,662 0.699,663 461.92,664 3.555,665 5.13,666 5.979,667 6.876,668 7.746,669 8.642,670 9.519,671 10.413,672 11.294,673 12.186,674 10.6,681 1,682 2,684 2,690 7,691 2,695 9,697 18,703 1,709 2,714 2,715 1,716 47,718 21,719 2,720 34,722 50,723 19,724 16,725 7,726 5,727 1,728 4,729 5,730 1,740 17,741 2,744 3,747 1,749 3,753 1,757 1,760 16,761 10,762 4,763 12,764 2,769 5,775 0.75,776 5,788 1,793 1,794 3,797 1,819 3,821 1,823 1,824 1,827 31,828 1,830 1,833 1,834 2,835 2,849 1,850 10.6,853 3,855 2,858 16.583,859 8.71,860 6.528,861 2.363,863 3.738,864 1.473,865 1.01,866 5.834,867 11.642,868 3.85,869 4.516,870 5.016,871 5.568,872 6.131,873 6.352,874 6.694,875 6.972,876 7.284,877 7.644,878 0.857,879 49,880 11.632,881 5.314,882 8.151,883 20.88,884 17.139,885 2.651,886 82.194,889 1,890 141.253,891 118.96,892 102.49,893 39.149,894 91.458,896 6.046,897 112.914,898 271.86,899 102.49,900 7.19,901 39.547,902 62.903,903 119.505,904 91.306,905 27.769,906 105.94,907 39.149,908 141.253,909 215.404,910 91.458,911 45.195,913 141.253,914 91.458,917 86.515,918 95.318,919 78.766,921 141.253,922 193.947,923 158.109,925 6.046,926 141.253,927 39.819,928 73.095,929 36.022,930 197.075,931 141.253,932 193.947,933 158.109,935 0.6,936 0.335,937 0.173,938 0.102,939 25,940 12,941 0.12,942 6,943 1,944 1.095,945 4.111,946 283.96,947 0.095,948 21,949 151.58,953 1,954 21.49,955 8.416,956 4.79,958 193.947,959 10.444,960 8.463,964 2.686,966 68.919,967 493.31,968 46,971 -3.574,973 35.468,977 -0.764,980 48.847,981 52.894,983 0.357,984 0.744,985 0.884,986 0.959,987 0.959,988 0.959,989 5.115,990 1.669,991 6.019,992 5.522,993 4.615,994 5.204,995 3.235,996 6.872,997 4.472,998 6.376,999 1.468,1000 7.614,1001 4.645,1002 4.443,1003 5.33,1005 7.999,1006 4.159,1007 7.736,1008 1.199,1009 9.316,1010 4.353,1011 6.301,1012 7.52,1013 5.088,1014 11.016,1015 5.997,1016 9.132,1017 1.126,1018 11.08,1019 2.698,1020 6.889,1021 8.405,1023 12.929,1024 6.428,1025 10.559,1026 1.068,1027 12.884,1028 2.635,1029 8.294,1030 10.16,1031 7.197,1032 15.536,1033 7.805,1034 12.009,1035 0.659,1036 14.717,1037 2.513,1038 9.207,1039 11.374,1041 17.762,1042 8.567,1043 13.476,1044 0.274,1045 16.571,1046 1.779,1047 10.453,1048 12.974,1049 9.35,1050 20.246,1051 9.76,1052 3.336,1054 18.442,1055 0.651,1056 11.51,1057 14.343,1059 22.599,1060 10.679,1061 3.145,1062 11.739,1063 20.327,1065 12.701,1066 15.885,1067 11.512,1068 25.048,1069 11.794,1070 2.8,1071 10.781,1072 22.222,1073 4.677,1074 13.823,1075 17.329,1077 27.452,1078 12.789,1079 2.664,1080 8.567,1081 24.127,1082 4.173,1083 14.999,1084 18.852,1085 13.675,1086 29.893,1087 13.873,1088 2.372,1089 7.92,1090 26.039,1091 3.779,1092 16.151,1093 20.335,1095 32.32,1096 14.905,1097 2.229,1098 7.285,1099 27.958,1100 3.634,1101 17.326,1102 21.854,1103 15.838,1104 34.761,1105 15.978,1106 1.908,1107 6.596,1108 29.881,1109 2.976,1110 18.493,1111 23.357,1113 37.199,1114 17.029,1115 12281,1116 24182,1117 22.076,1118 33.375,1119 51.922,1120 55.791,1121 52.713,1122 51.996,1123 51.833,1124 69.264,1125 13.306,1126 155.368,1127 48.128,1128 5.672,1129 7.181,1130 6.675,1131 5.295,1132 5.336,1133 7.677,1134 5.9,1135 18.896,1136 4.958,1137 18.105,1138 1.527,1139 1.641,1140 1.55,1141 1.529,1142 1.525,1143 2.037,1144 0.391,1145 4.57,1146 1.416,1147 4.096,1148 4.084,1149 4.735,1150 4.099,1151 7.716,1152 4.008,1153 3.976,1154 3.984,1155 4.054,1156 3.87,1157 7.437,1158 3.879,1159 3.811,1160 3.843,1161 3.847,1162 3.672,1163 6.999,1164 3.661,1165 3.69,1166 3.683,1167 3.717,1168 3.585,1169 5.087,1170 3.555,1171 3.335,1172 3.387,1173 3.495,1174 3.081,1175 4.983,1176 3.118,1177 3.3,1178 3.321,1179 3.267,1180 3.049,1181 4.894,1182 3.079,1183 3.056,1184 3.135,1185 2.972,1186 2.838,1187 4.71,1188 2.859,1189 2.939,1190 3.022,1191 2.919,1192 2.738,1193 4.605,1194 2.746,1195 0.142,1196 0.152,1197 0.21,1198 0.124,1199 0.098,1200 4.815,1201 0.138,1202 5.181,1203 0.087,1204 7.124,1205 0.345,1206 4.213,1207 0.087,1208 3.336,1209 4.677,1210 2.95,1211 11.739,1212 2.958,1213 1.987,1214 1.999,1215 1.991,1216 2.066,1217 1.23,1218 2.088,1219 1.865,1220 1.848,1221 1.913,1222 1.984,1223 1.057,1224 1.975,1225 1.707,1226 1.671,1227 1.784,1228 1.86,1229 0.851,1230 1.854,1231 1.57,1232 1.581,1233 1.589,1234 1.717,1235 0.769,1236 1.754,1237 1.209,1238 1.163,1239 1.435,1240 1.528,1241 0.578,1242 1.493,1243 1.161,1244 1.128,1245 1.388,1246 1.504,1247 0.294,1248 1.476,1249 0.946,1250 0.867,1251 1.176,1252 1.238,1253 0.222,1254 1.23,1255 0.876,1256 0.798,1257 1.122,1258 1.142,1259 0.178,1260 1.149,1261 4.234,1263 5.595,1264 2.398,1265 7.132,1266 4.595,1267 8.751,1268 6.605,1269 10.415,1271 1.033,1272 6.277,1275 5.32,1277 0.083,1278 5.947,1279 10.811,1289 32.856,1290 93.136,1291 194.295,1292 230.801,1293 250.311,1294 250.311,1295 250.311,1296 67.581,1297 7.904,1298 145.53,1299 153.91,1300 23,1301 12.716,1302 4.459,1303 3.7,1304 49.424,1305 133,1306 95,1307 0.181,1308 207.594,1309 361.39,1310 498.289,1311 32285,1312 2.1,1313 22.173,1314 0.715,1315 0.568,1316 22.923,1317 17.62,1318 14.703,1319 0.432,1320 0.326,1321 8.821,1322 12.915,1323 8.436,1324 6.958,1325 15.886,1326 11.076,1327 14.584,1328 0.292,1329 0.18,1330 16.341,1331 8.977,1332 11.164,1333 0.177,1334 0.09,1335 12.252,1336 5.679,1337 9.123,1338 0.111,1339 0.045,1340 9.911,1341 3.716,1342 7.687,1343 0.073,1344 0.026,1345 8.634,1346 2.682,1347 0.285,1348 105.695,1349 0.213,1350 28.993,1351 0.493,1352 168,1353 617.01,1354 239.131,1355 634.611,1356 839.43,1357 584,1358 197,1359 564.767,1360 269.161,1361 609.419,1362 885.9,1363 567,1364 4.654}
{0 CHEMBL497198,1 1.889,2 12.059,3 4.02,4 16.16,5 127.784,6 9,7 0.474,8 4.175,9 4.262,10 4.009,11 3.707,12 5.271,13 3.7,14 4.734,15 4.865,16 4.326,17 4.083,18 6.02,19 4.077,20 4.922,21 5.09,22 4.348,23 4.208,24 6.087,25 4.167,26 4.931,27 5.108,28 4.346,29 4.211,30 6.043,31 4.146,32 4.972,33 5.18,34 4.394,35 4.215,36 6.105,37 4.146,38 4.943,39 5.122,40 4.361,41 4.209,42 6.069,43 4.143,44 4.984,45 5.17,46 4.337,47 4.144,48 6.246,49 4.089,50 4.943,51 5.168,52 4.098,53 3.999,54 6.129,55 3.938,56 0.206,57 0.872,58 10.675,59 5.367,60 20.37,61 5.467,62 0.792,63 1.377,64 23.592,65 9.054,66 67.176,67 9.409,68 0.884,69 1.598,70 30.315,71 10.448,72 68.435,73 11.655,74 0.8,75 1.609,76 30.891,77 11.287,78 62.474,79 13.627,80 0.937,81 1.665,82 35.46,83 11.652,84 63.391,85 14.457,86 0.835,87 1.646,88 37.236,89 11.748,90 71.961,91 13.206,92 1.119,93 1.632,94 37.479,95 11.484,96 115.7,97 13.05,98 1.196,99 1.491,100 36.193,101 10.362,102 112.482,103 12.681,104 18,105 55,106 0.307,107 0.642,108 0.798,109 0.855,110 0.861,111 0.861,112 3.561,113 1.008,114 -3.21,115 -3.21,116 -3.08,118 39.3,123 1,124 4,125 1,138 6,140 7,141 1,143 1,146 1,167 1,170 3,171 5,173 3,175 3,178 4,181 1,182 6,184 1,186 2,188 1,192 7,195 3,196 1,197 3,203 3,204 8,206 2,211 2,214 3,215 4,220 2,223 3,227 5,228 3,231 2,233 2,239 3,240 2,243 2,245 2,247 1,251 2,252 4,255 2,260 4,264 2010,265 22.797,266 22.797,267 22.797,268 22.797,269 22.797,270 20.296,271 37.347,272 13.335,273 23.804,274 18.828,275 18.828,276 18.828,277 18.828,278 18.828,279 14.883,280 62.928,281 6.404,282 20.547,283 3.918,284 1.858,285 0.898,286 0.549,287 0.513,288 0.513,289 4.266,290 1,294 1,295 904,296 3.606,299 77.878,300 425.117,303 144.041,307 1.765,308 45.639,311 0.75,312 0.67,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.75,319 75.833,320 410,321 4.814,322 5.181,323 7.125,324 4.213,325 3.337,326 4.676,327 2.95,328 11.744,329 2.932,330 4.489,331 3.486,332 6.684,333 4.082,334 3.145,335 4.173,336 1.392,337 10.781,338 2.926,339 4.17,340 3.157,341 6.168,342 3.789,343 2.859,344 3.744,345 0.86,346 9.183,347 2.615,348 4.038,349 2.945,350 5.717,351 3.621,352 2.7,353 3.605,354 0.8,355 8.016,356 2.485,357 3.656,358 2.847,359 5.595,360 3.334,361 2.403,362 2.953,363 0.532,364 7.36,365 2.237,366 3.578,367 2.658,368 5.309,369 3.182,370 2.27,371 2.84,372 0.4,373 6.77,374 2.031,375 3.294,376 2.438,377 4.899,378 2.885,379 1.966,380 2.535,381 0.4,382 5.659,383 1.787,384 3.056,385 2.281,386 4.62,387 2.659,388 1.731,389 2.253,391 4.674,392 1.591,393 2.97,394 2.113,395 4.519,396 2.588,397 1.65,398 2.122,400 4.521,401 1.537,402 2.83,403 1.947,404 4.316,405 2.386,406 1.436,407 1.887,409 4.009,410 1.353,411 2.663,412 1.804,413 3.622,414 2.143,415 1.199,416 1.738,417 2.681,418 1.123,419 2.236,420 1.44,421 3.493,422 2.096,423 1.126,424 1.218,425 2.592,426 1.075,427 2.199,428 1.284,429 3.483,430 1.952,431 1.048,432 1.173,433 2.513,434 0.946,435 2,436 1.256,437 3.417,438 1.949,439 1,440 1,441 2.136,442 0.935,443 1.788,444 1.114,445 3.247,446 1.555,447 0.659,448 0.721,449 1.779,450 0.584,451 16.214,452 0.477,453 0.98,454 0.029,455 47.5,456 1.397,457 23.5,458 0.691,459 24,460 0.706,461 28.421,462 0.836,463 37.186,464 0.664,465 38.456,466 1.131,467 9.188,468 0.27,469 7.176,470 0.211,471 0.116,472 0.051,473 0.302,478 0.767,479 1.468,480 0.682,481 1.188,482 0.691,483 0.913,484 1.049,485 1.039,486 0.88,487 0.932,488 0.652,489 0.831,490 1.117,491 1.068,492 0.996,493 0.919,494 1.109,495 0.965,496 0.795,497 1.169,498 0.901,499 1.077,500 0.908,501 1.115,502 0.63,503 0.998,504 0.802,505 0.892,506 0.582,507 0.883,508 1.012,509 1.156,510 1.192,511 1.174,512 1.113,513 1.047,514 0.976,515 1.134,516 1.05,517 1.129,518 1.377,519 1.073,520 1.069,521 0.869,522 0.855,523 0.768,524 1.359,525 0.876,526 8,527 0.189,528 3.556,529 2.25,530 1.969,531 1.354,532 0.883,533 0.531,534 0.39,535 0.193,536 17371,537 56520,538 2.12,539 39.3,541 17,542 2,543 1,544 2,549 1.762,550 1.99,551 3.531,552 0.293,554 1,558 105.778,559 1.889,560 3.95,561 4.91,562 5.258,563 5.294,564 5.294,565 2.913,566 4.712,567 5.064,568 3.75,569 2103.92,570 8.887,571 32349,576 325.212,577 1.501,578 5.017,579 0.211,580 0.006,581 0.065,582 0.042,583 0.039,584 0.026,585 0.017,586 0.011,587 0.01,588 0.006,589 0.43,590 0.33,591 0.63,592 0.662,593 181.911,594 -0.039,595 -0.255,596 0.122,597 -0.113,598 -0.141,599 -0.007,600 -0.017,601 0.066,602 -0.034,603 0.054,604 0.189,605 0.064,606 -0.18,607 -0.005,608 -0.119,609 0.013,610 -0.121,611 -0.042,612 0.02,613 -0.159,614 -0.012,615 -0.138,616 -0.066,617 -0.137,618 0.142,619 0.035,620 0.14,621 0.072,622 0.137,623 0.111,624 -0.121,625 -0.096,626 -0.121,627 -0.108,628 -0.122,629 -0.067,630 0.036,631 -0.094,632 -0.078,633 -0.133,634 -0.036,635 -0.124,636 -0.027,637 0.089,638 0.018,639 0.115,640 -0.084,641 0.089,642 4.346,643 5.308,644 0.794,645 33.824,646 1.027,647 1.127,648 1.984,649 3.938,650 0.69,651 3.664,652 4.025,653 4.277,654 4.554,655 4.804,656 4.875,657 5.03,658 5.124,659 5.193,660 5.263,661 7.458,662 0.669,663 504.01,664 3.664,665 5.231,666 6.084,667 6.978,668 7.85,669 8.744,670 9.623,671 10.517,672 11.4,673 12.293,674 8.9,680 1,682 2,684 2,690 7,691 2,695 9,697 18,709 2,711 1,714 2,715 1,716 56,718 20,719 2,720 38,722 60,723 22,724 16,725 7,726 5,728 5,729 6,730 1,740 16,741 6,744 2,747 1,749 2,760 22,761 10,762 2,763 12,764 2,769 5,775 0.8,776 5,788 1,793 1,794 4,797 1,818 1,819 4,821 1,823 1,824 1,827 34,830 1,833 5,834 2,835 3,838 1,849 1,850 8.9,853 2,854 1,855 2,858 17.083,859 10.326,860 7.194,861 3.093,863 3.676,864 1.442,865 1.01,866 6.617,867 11.997,868 3.912,869 4.549,870 5.048,871 5.604,872 6.156,873 6.38,874 6.757,875 7.064,876 7.4,877 7.741,878 0.875,879 54,880 12.761,881 5.734,882 7.883,883 23.735,884 19.768,885 2.383,886 81.028,890 235.422,891 127.223,892 72.717,893 39.149,894 77.313,896 6.046,897 121.177,898 351.883,899 72.717,900 7.19,901 20.046,902 62.903,903 100.655,904 94.001,905 27.769,906 200.109,907 39.149,908 235.422,909 193.894,910 77.313,911 45.195,913 235.422,914 66.313,915 11,917 67.014,918 93.309,919 78.766,921 235.422,922 150.029,923 166.372,925 6.046,926 235.422,927 48.082,928 76.22,929 36.022,930 150.032,931 235.422,932 150.029,933 166.372,935 0.592,936 0.335,937 0.18,938 0.103,939 28,940 12,941 0.1,942 6,943 1,944 1.074,945 4.445,946 328.85,947 0.074,948 27,949 166.974,953 1,954 23.295,955 9.657,956 5.303,958 150.029,959 11.818,960 8.764,964 4.383,966 36.022,967 551.823,968 49,971 -3.43,973 24.616,980 57.498,981 63.139,983 0.325,984 0.68,985 0.845,986 0.905,987 0.912,988 0.912,989 5.179,990 1.731,991 6.103,992 5.659,993 4.71,994 5.236,995 3.255,996 6.946,997 4.54,998 6.411,999 1.65,1000 7.685,1001 4.674,1002 4.443,1003 5.301,1004 0.325,1005 8.038,1006 4.116,1007 7.758,1008 1.436,1009 9.375,1010 4.521,1011 6.375,1012 7.519,1013 5.086,1014 11.075,1015 6.025,1016 9.143,1017 1.199,1018 11.131,1019 4.009,1020 6.909,1021 8.381,1022 0.268,1023 12.978,1024 6.386,1025 10.564,1026 1.126,1027 12.931,1028 2.681,1029 8.352,1030 10.147,1031 7.197,1032 15.588,1033 7.799,1034 12.009,1035 1.048,1036 14.761,1037 2.592,1038 9.238,1039 11.355,1040 0.188,1041 17.808,1042 8.521,1043 13.473,1044 1,1045 16.613,1046 2.513,1047 10.5,1048 12.959,1049 9.35,1050 20.29,1051 9.728,1052 3.337,1053 0.659,1054 18.483,1055 2.136,1056 11.544,1057 14.327,1058 0.125,1059 22.637,1060 10.625,1061 3.145,1062 11.744,1063 20.366,1064 1.779,1065 12.741,1066 15.871,1067 11.512,1068 25.082,1069 11.744,1070 2.859,1071 10.781,1072 22.26,1073 4.676,1074 13.856,1075 17.315,1076 0.082,1077 27.482,1078 12.725,1079 2.7,1080 9.183,1081 24.163,1082 4.173,1083 15.034,1084 18.84,1085 13.675,1086 29.919,1087 13.808,1088 2.403,1089 8.016,1090 26.073,1091 3.744,1092 16.182,1093 20.323,1094 0.054,1095 32.343,1096 14.831,1097 2.27,1098 7.36,1099 27.99,1100 3.605,1101 17.356,1102 21.843,1103 15.838,1104 34.781,1105 15.901,1106 1.966,1107 6.77,1108 29.911,1109 2.953,1110 18.521,1111 23.347,1112 0.035,1113 37.216,1114 16.944,1115 16136,1116 29325,1117 25.542,1118 38.659,1119 57.353,1120 61.026,1121 57.777,1122 57.799,1123 57.603,1124 73.935,1125 14.666,1126 170.142,1127 52.735,1128 5.814,1129 7.181,1130 6.927,1131 5.316,1132 5.337,1133 7.676,1134 5.9,1135 18.9,1136 4.932,1137 15.57,1138 1.509,1139 1.606,1140 1.52,1141 1.521,1142 1.516,1143 1.946,1144 0.386,1145 4.477,1146 1.388,1147 4.1,1148 4.096,1149 4.735,1150 4.097,1151 7.716,1152 4.007,1153 3.976,1154 3.985,1155 4.055,1156 3.871,1157 6.999,1158 3.879,1159 3.815,1160 3.844,1161 3.855,1162 3.681,1163 5.087,1164 3.663,1165 3.777,1166 3.811,1167 3.737,1168 3.601,1169 4.982,1170 3.599,1171 3.576,1172 3.594,1173 3.517,1174 3.431,1175 4.717,1176 3.42,1177 3.305,1178 3.325,1179 3.495,1180 3.05,1181 4.704,1182 3.082,1183 3.111,1184 3.206,1185 3.025,1186 2.941,1187 4.562,1188 2.912,1189 3.103,1190 3.176,1191 2.924,1192 2.889,1193 4.136,1194 2.91,1195 0.127,1196 0.136,1197 0.187,1198 0.111,1199 0.088,1200 4.814,1201 0.123,1202 5.181,1203 0.078,1204 7.125,1205 0.309,1206 4.213,1207 0.077,1208 3.337,1209 4.676,1210 2.95,1211 11.744,1212 2.932,1213 1.988,1214 1.996,1215 2.018,1216 2.083,1217 1.277,1218 2.1,1219 1.865,1220 1.848,1221 1.917,1222 1.993,1223 1.141,1224 1.976,1225 1.707,1226 1.676,1227 1.85,1228 1.897,1229 1.057,1230 1.914,1231 1.685,1232 1.648,1233 1.776,1234 1.854,1235 0.833,1236 1.854,1237 1.498,1238 1.482,1239 1.579,1240 1.65,1241 0.825,1242 1.689,1243 1.165,1244 1.132,1245 1.513,1246 1.521,1247 0.763,1248 1.486,1249 1.153,1250 1.064,1251 1.435,1252 1.376,1253 0.578,1254 1.429,1255 1.012,1256 0.946,1257 1.212,1258 1.28,1259 0.304,1260 1.266,1261 4.344,1263 5.694,1264 2.398,1265 7.229,1266 4.595,1267 8.848,1268 6.605,1269 10.511,1271 1.185,1272 6.351,1277 2.641,1278 6.267,1279 16.347,1282 2.086,1289 37.437,1290 105.778,1291 221.19,1292 274.947,1293 294.457,1294 296.457,1295 296.457,1296 61.359,1297 8.32,1298 114.91,1299 123.29,1300 29,1301 12.821,1302 4.392,1303 3.585,1304 49.94,1305 155,1306 132,1307 0.156,1308 231.905,1309 403.57,1310 557.608,1311 55215,1312 1.8,1313 23.709,1314 0.697,1315 0.583,1316 24.459,1317 19.819,1318 16.364,1319 0.431,1320 0.336,1321 10.467,1322 14.44,1323 10.069,1324 8.241,1325 17.547,1326 12.767,1327 15.738,1328 0.286,1329 0.185,1330 17.496,1331 10.182,1332 12.538,1333 0.177,1334 0.095,1335 13.626,1336 6.756,1337 10.569,1338 0.112,1339 0.048,1340 11.357,1341 4.556,1342 8.863,1343 0.073,1344 0.027,1345 9.79,1346 3.29,1347 0.246,1348 116.375,1349 0.198,1350 31.345,1351 0.424,1352 186,1353 635.343,1354 259.183,1355 645.033,1356 864.69,1357 600,1358 219,1359 586.739,1360 294.266,1361 629.006,1362 920.08,1363 587,1364 7.495}
{0 CHEMBL498404,1 1.996,2 11.438,3 3.03,4 9.18,5 117.942,6 9.733,7 0.514,8 4.051,9 4.139,10 3.945,11 3.575,12 5.272,13 3.589,14 4.55,15 4.658,16 4.242,17 3.928,18 6.042,19 3.941,20 4.73,21 4.877,22 4.246,23 4.017,24 6.04,25 4.007,26 4.731,27 4.894,28 4.264,29 4.01,30 6.002,31 3.983,32 4.758,33 4.93,34 4.304,35 4.01,36 6.082,37 3.986,38 4.749,39 4.927,40 4.255,41 3.985,42 6.044,43 3.957,44 4.728,45 4.897,46 4.203,47 3.879,48 6.31,49 3.871,50 4.634,51 4.836,52 3.94,53 3.751,54 5.989,55 3.71,56 0.27,57 0.796,58 8.015,59 4.187,60 29.013,61 3.73,62 0.777,63 1.178,64 17.532,65 7.429,66 76.823,67 7.175,68 0.896,69 1.327,70 19.011,71 7.689,72 89.004,73 7.324,74 0.851,75 1.331,76 24.972,77 8.994,78 70.151,79 9.476,80 0.958,81 1.357,82 21.947,83 8.125,84 80.19,85 8.63,86 0.888,87 1.331,88 28.994,89 9.095,90 90.647,91 9.934,92 1.128,93 1.273,94 24.778,95 7.639,96 149.823,97 8.265,98 0.97,99 1.125,100 22.407,101 7.367,102 106.625,103 8.32,104 42,105 51,106 0.333,107 0.687,108 0.826,109 0.892,110 0.899,111 0.899,112 3.502,113 0.971,114 -2.17,115 -2.21,116 -2.19,118 38.8,123 1,125 1,138 6,139 1,140 6,141 1,143 1,146 1,153 1,158 1,159 1,160 1,167 3,170 3,171 4,172 1,173 6,175 6,178 4,180 1,182 4,184 1,186 6,188 2,190 2,192 10,195 2,196 2,197 4,203 1,204 9,206 2,207 2,208 1,210 2,211 2,213 1,214 1,215 6,218 4,220 2,223 3,227 5,228 2,230 4,231 5,233 3,235 1,239 5,240 1,243 1,244 1,245 3,247 1,252 3,255 1,256 1,257 1,259 1,260 4,262 1,264 1742,265 20.859,266 20.859,267 20.859,268 20.859,269 20.859,270 18.113,271 31.437,272 12.072,273 21.44,274 17.338,275 17.338,276 17.338,277 17.338,278 17.338,279 13.04,280 49.568,281 5.803,282 18.397,283 3.619,284 1.493,285 0.658,286 0.26,287 0.219,288 0.219,289 4.193,290 1,293 1,294 1,295 784,296 4.062,299 73.405,300 302.872,303 135.969,307 1.82,308 49.309,311 0.75,312 0.67,313 0.83,314 0.3,316 0.67,317 0.5,318 0.53,319 72.333,320 366,321 4.647,322 4.311,323 6.684,324 4.093,325 3.152,326 4.444,327 1.392,328 10.781,329 2.969,330 4.489,331 3.508,332 6.462,333 4.082,334 3.144,335 4.173,336 0.98,337 10.222,338 2.93,339 4.271,340 3.486,341 6.04,342 3.857,343 2.877,344 3.914,345 0.532,346 8.813,347 2.8,348 4.056,349 2.954,350 5.709,351 3.61,352 2.676,353 3.652,354 0.4,355 7.929,356 2.49,357 3.687,358 2.886,359 5.582,360 3.327,361 2.377,362 3.006,363 0.4,364 7.287,365 2.275,366 3.612,367 2.664,368 5.329,369 3.201,370 2.266,371 2.937,373 6.721,374 2.066,375 3.4,376 2.358,377 5.052,378 3,379 2.061,380 2.672,382 6.093,383 1.912,384 3.175,385 2.092,386 4.75,387 2.736,388 1.798,389 2.413,391 5.232,392 1.665,393 3.033,394 1.933,395 4.61,396 2.598,397 1.652,398 2.232,400 4.629,401 1.548,402 2.675,403 1.807,404 3.725,405 2.159,406 1.207,407 1.744,409 2.732,410 1.142,411 2.635,412 1.687,413 3.621,414 2.119,415 1.126,416 1.593,417 2.652,418 1.105,419 2.236,420 1.289,421 3.484,422 2.095,423 1.102,424 1.218,425 2.513,426 1.074,427 1.788,428 1.114,429 3.417,430 1.555,431 0.659,432 0.721,433 1.779,434 0.584,435 1.522,436 0.775,437 3.135,438 1.141,439 0.274,440 0.329,441 0.651,442 0.212,443 1.298,444 0.744,445 2.979,446 0.94,451 15.114,452 0.472,453 1.082,454 0.034,455 47,456 1.469,457 25,458 0.781,459 22,460 0.688,461 23.854,462 0.745,463 34.686,464 0.708,465 38.749,466 1.211,467 9.24,468 0.289,469 5.936,470 0.186,471 0.173,472 0.055,473 0.331,478 0.792,479 1.375,480 0.68,481 1.13,482 0.749,483 0.81,484 0.774,485 1.082,486 0.891,487 1.047,488 0.522,489 0.874,490 1.23,491 1.129,492 0.962,493 0.865,494 1.252,495 1.006,496 0.893,497 1.146,498 1.014,499 1.074,500 0.75,501 1.033,502 0.902,503 0.984,504 0.843,505 0.864,506 0.908,507 0.959,508 0.882,509 1.104,510 1.043,511 1.071,512 0.943,513 0.968,514 0.843,515 1.019,516 0.964,517 1.023,518 0.839,519 1.046,520 0.97,521 0.916,522 0.852,523 0.776,524 1.127,525 0.971,526 9,527 0.209,528 2.889,529 2.563,530 1.92,531 1.229,532 0.922,533 0.469,534 0.341,535 0.25,536 14100,537 54374,538 2.037,539 34.7,541 9,542 2,543 1,544 5,549 1.746,550 1.873,551 3.483,552 2.5,554 1,558 97.804,559 1.996,560 4.122,561 4.956,562 5.354,563 5.395,564 5.395,565 2.843,566 4.539,567 4.977,568 3.714,569 1842.25,570 8.707,571 27367.1,576 275.121,577 1.646,578 4.907,579 0.257,580 0.007,581 0.057,582 0.053,583 0.04,584 0.026,585 0.02,586 0.011,587 0.01,588 0.008,589 0.489,590 0.17,591 0.75,592 1.015,593 168.447,594 -0.099,595 -0.153,596 0.101,597 -0.073,598 -0.196,599 0.048,600 0.151,601 0.027,602 -0.068,603 -0.042,604 0.254,605 0.006,606 -0.295,607 -0.09,608 -0.165,609 -0.006,610 -0.269,611 -0.122,612 -0.041,613 -0.129,614 -0.049,615 -0.106,616 -0.023,617 -0.06,618 -0.025,619 0.05,620 0.032,621 0.032,622 -0.063,623 -0.023,624 -0.017,625 -0.098,626 -0.008,627 -0.07,628 -0.064,629 0.033,630 0.16,631 0.008,632 -0.06,633 -0.104,634 0.268,635 -0.125,636 -0.01,637 0.043,638 -0.003,639 0.094,640 -0.067,641 0.009,642 4.482,643 4.647,644 0.656,645 30.992,646 1.04,647 1.13,648 0.939,649 0.882,650 0.702,651 3.584,652 3.951,653 4.143,654 4.443,655 4.644,656 4.745,657 4.852,658 4.942,659 4.949,660 5.024,661 7.294,662 0.691,663 476.94,664 3.584,665 5.153,666 5.989,667 6.887,668 7.74,669 8.638,670 9.499,671 10.396,672 11.262,673 12.157,674 12.2,679 1,681 1,682 2,684 2,690 7,691 2,695 9,697 18,703 1,709 2,714 2,715 1,716 49,718 21,719 2,720 35,722 52,723 19,724 16,725 7,726 5,727 1,728 4,729 5,730 1,740 17,741 2,744 3,747 1,749 3,753 1,760 17,761 11,762 5,763 13,764 2,769 6,775 0.75,776 5,788 1,793 1,794 3,797 1,819 3,821 1,823 1,824 1,827 32,828 1,831 1,833 1,834 3,835 2,849 1,850 10.2,853 3,855 2,858 17.083,859 8.96,860 6.736,861 2.426,863 3.734,864 1.469,865 1.008,866 6.3,867 11.701,868 3.871,869 4.527,870 4.968,871 5.556,872 6.081,873 6.316,874 6.653,875 7.008,876 7.291,877 7.632,878 1,879 48,880 11.966,881 5.39,882 8.147,883 21.512,884 17.481,885 2.647,886 84.694,890 141.253,891 119.928,892 118.895,893 39.149,894 91.458,896 5.807,897 114.12,898 271.86,899 118.895,900 7.19,901 39.547,902 62.665,903 135.91,904 92.512,905 27.769,906 105.94,907 39.149,908 141.253,909 233.015,910 91.458,911 44.956,913 141.253,914 91.458,917 86.515,918 96.524,919 94.932,921 141.253,922 210.352,923 159.077,925 5.807,926 141.253,927 41.025,928 73.095,929 52.426,930 197.075,931 141.253,932 210.352,933 159.077,935 0.596,936 0.317,937 0.174,938 0.097,939 25,940 12,941 0.135,942 7,943 1,944 1.095,945 4.219,946 293.38,947 0.095,948 21,949 156,953 1,954 22.416,955 8.993,956 5.54,958 210.352,959 10.745,960 8.51,964 3.088,966 85.324,967 510.682,968 47,971 -3.565,973 34.782,977 -0.726,980 50.949,981 55.392,983 0.355,984 0.734,985 0.883,986 0.954,987 0.961,988 0.961,989 5.133,990 1.798,991 6.023,992 6.093,993 4.635,994 5.215,995 2.079,996 6.853,997 4.519,998 6.388,999 1.652,1000 7.597,1001 5.232,1002 4.443,1003 5.33,1005 7.904,1006 4.242,1007 7.741,1008 1.207,1009 9.269,1010 4.629,1011 6.297,1012 7.506,1013 2.361,1014 10.888,1015 6.071,1016 9.126,1017 1.126,1018 10.997,1019 2.732,1020 6.836,1021 8.347,1023 12.684,1024 6.522,1025 10.538,1026 1.102,1027 12.758,1028 2.652,1029 8.236,1030 10.089,1031 2.854,1032 15.243,1033 7.895,1034 11.97,1035 0.659,1036 14.543,1037 2.513,1038 9.094,1039 11.246,1041 17.35,1042 8.671,1043 13.416,1044 0.274,1045 16.344,1046 1.779,1047 10.324,1048 12.825,1049 3.428,1050 19.769,1051 9.864,1052 3.152,1054 18.158,1055 0.651,1056 11.328,1057 14.131,1059 22.012,1060 10.793,1061 3.144,1062 10.781,1063 19.982,1065 12.492,1066 15.641,1067 4.044,1068 24.383,1069 11.911,1070 2.877,1071 10.222,1072 21.815,1073 4.444,1074 13.565,1075 17.022,1077 26.687,1078 12.912,1079 2.676,1080 8.813,1081 23.655,1082 4.173,1083 14.705,1084 18.504,1085 4.682,1086 29.045,1087 13.999,1088 2.377,1089 7.929,1090 25.501,1091 3.914,1092 15.809,1093 19.924,1095 31.377,1096 15.036,1097 2.266,1098 7.287,1099 27.353,1100 3.652,1101 16.943,1102 21.394,1103 5.331,1104 33.732,1105 16.111,1106 2.061,1107 6.721,1108 29.209,1109 3.006,1110 18.063,1111 22.836,1113 36.078,1114 17.165,1115 13538,1116 26745,1117 22.77,1118 34.381,1119 52.848,1120 56.289,1121 53.728,1122 52.822,1123 52.745,1124 70.096,1125 7.406,1126 156.07,1127 49.545,1128 5.505,1129 6.311,1130 6.235,1131 5.173,1132 5.152,1133 7.444,1134 2.783,1135 17.937,1136 4.969,1137 18.682,1138 1.51,1139 1.608,1140 1.535,1141 1.509,1142 1.507,1143 2.003,1144 0.212,1145 4.459,1146 1.416,1147 4.048,1148 4.061,1149 4.716,1150 3.983,1151 7.718,1152 3.933,1153 3.97,1154 3.975,1155 4.056,1156 3.869,1157 7.437,1158 3.869,1159 3.853,1160 3.855,1161 3.899,1162 3.785,1163 6.999,1164 3.698,1165 3.762,1166 3.778,1167 3.743,1168 3.611,1169 5.088,1170 3.629,1171 3.353,1172 3.405,1173 3.495,1174 3.097,1175 4.984,1176 3.137,1177 3.304,1178 3.324,1179 3.29,1180 3.05,1181 4.896,1182 3.081,1183 3.094,1184 3.172,1185 3.018,1186 2.881,1187 4.71,1188 2.902,1189 2.983,1190 3.061,1191 2.923,1192 2.802,1193 4.657,1194 2.81,1195 0.133,1196 0.123,1197 0.191,1198 0.117,1199 0.09,1200 4.647,1201 0.127,1202 4.311,1203 0.04,1204 6.684,1205 0.308,1206 4.093,1207 0.085,1208 3.152,1209 4.444,1210 1.392,1211 10.781,1212 2.969,1213 1.937,1214 1.921,1215 1.997,1216 2.059,1217 1.134,1218 2.06,1219 1.863,1220 1.847,1221 1.913,1222 1.982,1223 1.056,1224 1.973,1225 1.707,1226 1.709,1227 1.784,1228 1.863,1229 0.932,1230 1.879,1231 1.654,1232 1.644,1233 1.607,1234 1.793,1235 0.776,1236 1.821,1237 1.223,1238 1.18,1239 1.435,1240 1.538,1241 0.578,1242 1.502,1243 1.163,1244 1.131,1245 1.397,1246 1.517,1247 0.295,1248 1.483,1249 1.008,1250 0.938,1251 1.222,1252 1.279,1253 0.263,1254 1.274,1255 0.891,1256 0.814,1257 1.128,1258 1.165,1259 0.179,1260 1.167,1261 4.263,1263 5.617,1264 2.398,1265 7.138,1266 4.595,1267 8.74,1268 6.605,1269 10.388,1271 0.996,1272 6.288,1275 5.358,1277 0.084,1278 8.309,1279 10.827,1289 33.878,1290 97.804,1291 201.985,1292 242.856,1293 262.366,1294 264.366,1295 264.366,1296 68.893,1297 7.966,1298 157.56,1299 165.94,1300 23,1301 12.688,1302 4.459,1303 3.7,1304 51.844,1305 142,1306 108,1307 0.177,1308 214.388,1309 372.39,1310 514.867,1311 35213,1312 2,1313 22.88,1314 0.715,1315 0.566,1316 23.63,1317 18.12,1318 15.176,1319 0.434,1320 0.324,1321 9.054,1322 13.358,1323 8.675,1324 7.17,1325 16.391,1326 11.326,1327 15.151,1328 0.297,1329 0.174,1330 16.905,1331 8.865,1332 10.938,1333 0.176,1334 0.082,1335 11.747,1336 5.095,1337 9.58,1338 0.114,1339 0.044,1340 10.372,1341 3.668,1342 7.574,1343 0.074,1344 0.023,1345 8.266,1346 2.364,1347 0.28,1348 109.239,1349 0.21,1350 29.863,1351 0.48,1352 172,1353 635.343,1354 242.399,1355 652.443,1356 862.39,1357 600,1358 199,1359 583.117,1360 272.048,1361 627.536,1362 907.84,1363 583,1364 4.523}
{0 CHEMBL500724,1 1.828,2 10.519,3 3.646,4 13.296,5 99.107,6 9.361,7 0.6,8 3.874,9 3.973,10 3.62,11 3.398,12 5.127,13 3.431,14 4.341,15 4.455,16 4.007,17 3.762,18 5.669,19 3.779,20 4.506,21 4.66,22 4.044,23 3.837,24 5.75,25 3.83,26 4.523,27 4.691,28 3.99,29 3.773,30 5.761,31 3.756,32 4.491,33 4.687,34 3.968,35 3.728,36 5.734,37 3.704,38 4.396,39 4.582,40 3.817,41 3.673,42 5.591,43 3.643,44 4.326,45 4.51,46 3.776,47 3.566,48 5.627,49 3.542,50 4.215,51 4.418,52 3.508,53 3.432,54 5.361,55 3.388,56 0.173,57 0.636,58 5.196,59 3.082,60 12.964,61 3.052,62 0.491,63 0.957,64 10.384,65 5.352,66 33.63,67 5.476,68 0.504,69 1.087,70 15.694,71 6.196,72 35.541,73 6.67,74 0.638,75 1.067,76 19.045,77 6.547,78 46.827,79 7.022,80 0.657,81 1.031,82 18.717,83 6.073,84 47.84,85 6.997,86 0.503,87 0.933,88 18.872,89 5.997,90 44.92,91 6.88,92 0.572,93 0.88,94 15.348,95 5.154,96 43.29,97 6.132,98 0.431,99 0.774,100 14.177,101 4.97,102 29.726,103 5.996,104 11,105 42,106 0.318,107 0.661,108 0.814,109 0.914,110 0.914,111 0.914,112 3.34,113 0.833,114 -3.47,115 -3.44,116 -3.29,118 43.9,125 1,138 7,139 1,140 5,141 1,143 1,146 1,153 1,158 1,159 1,160 1,167 5,170 2,171 4,172 1,173 4,175 4,178 5,180 1,182 4,184 1,186 6,188 3,190 2,192 7,195 2,196 1,197 4,201 1,203 1,204 9,206 1,207 1,208 1,210 1,211 2,213 1,214 1,215 4,220 2,223 3,227 3,228 2,230 2,231 3,233 4,235 2,239 1,240 1,243 1,245 2,247 1,252 3,255 1,256 1,257 1,259 1,260 4,262 1,264 1070,265 18.309,266 18.309,267 18.309,268 18.309,269 18.309,270 15.913,271 26.564,272 10.784,273 18.781,274 14.833,275 14.833,276 14.833,277 14.833,278 14.833,279 11.209,280 43.593,281 5.131,282 15.691,283 3.53,284 1.552,285 0.674,286 0.098,287 0.098,288 0.098,289 4.038,290 1,292 1,293 1,294 1,295 621,296 3,299 58.66,300 243.29,303 108.9,307 1.72,308 30.685,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 59.833,320 284,321 4.489,322 3.503,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.93,330 4.216,331 3.486,332 5.984,333 3.835,334 2.847,335 3.818,336 0.98,337 8.546,338 2.824,339 4.05,340 2.949,341 5.708,342 3.609,343 2.67,344 3.64,345 0.532,346 7.911,347 2.49,348 3.663,349 2.861,350 5.577,351 3.309,352 2.373,353 2.975,354 0.4,355 7.275,356 2.237,357 3.582,358 2.57,359 5.245,360 3.164,361 2.231,362 2.909,363 0.4,364 6.544,365 2.025,366 3.278,367 2.213,368 4.826,369 2.836,370 1.905,371 2.536,373 5.422,374 1.749,375 3.044,376 2.028,377 4.613,378 2.612,379 1.666,380 2.245,382 4.634,383 1.558,384 2.812,385 1.819,386 3.766,387 2.329,388 1.336,389 1.909,391 3.02,392 1.319,393 2.658,394 1.715,395 3.618,396 2.138,397 1.189,398 1.729,400 2.663,401 1.119,402 2.53,403 1.295,404 3.483,405 2.095,406 1.125,407 1.475,409 2.513,410 1.075,411 2.236,412 1.166,413 3.436,414 2.016,415 1,416 1.218,417 2.323,418 1.01,419 1.788,420 1.113,421 3.417,422 1.555,423 0.659,424 0.721,425 1.779,426 0.584,427 1.522,428 0.775,429 2.955,430 1.141,431 0.274,432 0.329,433 0.651,434 0.212,435 1.293,436 0.156,437 2.859,438 0.94,443 0.892,444 0.131,445 2.53,446 0.462,447 -0.424,448 -0.52,449 -1.087,450 -0.337,451 12.714,452 0.471,453 0.661,454 0.024,455 40.25,456 1.491,457 21.5,458 0.796,459 18.75,460 0.694,461 17.725,462 0.656,463 28.086,464 0.685,465 29.419,466 1.09,467 8.176,468 0.303,469 4.922,470 0.182,471 0.114,473 0.354,478 0.909,479 1.239,480 0.573,481 0.883,482 0.781,483 0.749,484 0.874,485 0.991,486 0.681,487 0.878,488 0.589,489 0.855,490 1.001,491 1.254,492 0.964,493 1.075,494 0.977,495 1.036,496 1.075,497 1.156,498 1.125,499 1.111,500 1.086,501 1.088,502 0.875,503 0.923,504 0.886,505 0.837,506 0.818,507 0.88,508 1.038,509 1.103,510 1.177,511 1.001,512 1.054,513 0.964,514 0.709,515 0.907,516 0.931,517 0.991,518 0.59,519 1.027,520 0.86,521 1.049,522 0.926,523 1.001,524 0.793,525 1.046,526 5.5,527 0.106,528 2.667,529 1.75,530 1.449,531 0.653,532 0.475,533 0.29,534 0.234,535 0.135,536 9313,537 31925,538 2.12,539 34.1,541 7,542 2,543 1,544 4,549 1.699,550 2,551 3.381,552 1.771,554 1,558 74.933,559 1.828,560 3.805,561 4.683,562 5.26,563 5.26,564 5.26,565 2.732,566 4.431,567 4.731,568 3.578,569 1255.94,570 8.202,571 16346.7,572 1,573 1,575 1,576 219.66,577 1.352,578 4.694,579 0.183,580 0.005,581 0.063,582 0.043,583 0.039,584 0.019,585 0.014,586 0.01,587 0.01,588 0.006,589 0.393,590 0.17,591 1,592 0.704,593 134.406,594 -0.163,595 -0.096,596 -0.002,597 -0.002,598 -0.177,599 0.048,600 0.086,601 0.08,602 0.014,603 0.035,604 0.11,605 -0.016,606 -0.121,607 -0.21,608 -0.077,609 -0.141,610 -0.101,611 -0.13,612 -0.08,613 -0.151,614 -0.11,615 -0.156,616 -0.128,617 -0.152,618 0.039,619 0.099,620 0.105,621 0.107,622 0.04,623 0.089,624 -0.143,625 -0.117,626 -0.092,627 -0.014,628 -0.156,629 0.028,630 0.202,631 0.126,632 -0.001,633 -0.059,634 0.184,635 -0.08,636 -0.008,637 -0.072,638 -0.027,639 -0.041,640 -0.015,641 -0.032,642 2.176,643 4.306,644 0.778,645 23.097,646 1.03,647 1.125,648 2.237,649 5.003,650 0.709,651 3.434,652 3.761,653 4.025,654 4.29,655 4.489,656 4.522,657 4.625,658 4.718,659 4.754,660 4.82,661 6.567,662 0.7,663 383.82,664 3.434,665 4.977,666 5.826,667 6.703,668 7.568,669 8.447,670 9.317,671 10.198,672 11.071,673 11.952,674 12.2,681 1,682 2,684 2,690 8,691 2,695 8,697 18,703 1,709 2,714 2,715 1,716 41,718 19,719 2,720 30,722 44,723 18,724 16,725 6,726 6,727 1,728 4,729 5,730 1,740 17,741 1,744 1,749 1,753 1,756 1,757 1,760 14,761 8,762 4,763 9,764 1,769 5,775 0.75,776 3,788 1,793 1,794 3,797 1,819 3,824 1,827 27,828 1,833 1,834 2,835 2,849 1,850 7.3,853 1,855 2,858 13.5,859 7.293,860 5.861,861 2.155,863 3.576,864 1.47,865 1.019,866 4.917,867 11.188,868 3.714,869 4.324,870 4.877,871 5.43,872 5.952,873 6.101,874 6.425,875 6.779,876 7.114,877 7.455,878 0.857,879 41,880 9.885,881 4.238,882 7.93,883 18.305,884 14.707,885 2.43,886 65.611,889 1,890 117.711,891 113.65,892 102.49,893 39.149,894 47.145,897 113.65,898 204.004,899 102.49,901 39.547,902 66.334,903 75.192,904 89.755,905 27.769,906 82.398,907 39.149,908 117.711,909 216.139,910 47.145,911 39.149,913 117.711,914 47.145,917 86.515,918 96.053,919 72.72,921 117.711,922 149.634,923 152.798,926 117.711,927 38.268,928 75.381,929 36.022,930 152.762,931 117.711,932 149.634,933 152.798,935 0.584,936 0.339,937 0.183,938 0.099,939 21,940 9,941 0.114,942 5,943 1,944 1.095,945 3.928,946 231.525,947 0.095,948 21,949 128.382,954 17.7,955 7.501,956 3.864,958 149.634,959 13.49,960 8.578,964 4.041,966 68.919,967 420.144,968 40,973 11.306,977 -0.509,980 42.233,981 46.14,983 0.341,984 0.71,985 0.874,986 0.982,987 0.982,988 0.982,989 4.945,990 1.336,991 5.808,992 4.634,993 4.443,994 5.011,995 2.079,996 6.605,997 4.332,998 6.154,999 1.189,1000 7.357,1001 3.02,1002 4.007,1003 4.796,1005 7.459,1006 3.818,1007 7.46,1008 1.125,1009 9.003,1010 2.663,1011 6.023,1012 7.19,1013 2.361,1014 10.552,1015 5.811,1016 8.799,1017 1,1018 10.707,1019 2.513,1020 6.399,1021 7.756,1023 12.241,1024 6.107,1025 10.168,1026 0.659,1027 12.448,1028 2.323,1029 7.879,1030 9.637,1031 2.854,1032 14.846,1033 7.566,1034 11.557,1035 0.274,1036 14.215,1037 1.779,1038 8.633,1039 10.578,1041 16.902,1042 8.247,1043 12.962,1045 16.002,1046 0.651,1047 9.893,1048 12.229,1049 3.428,1050 19.343,1051 9.478,1052 3.145,1053 -0.424,1054 17.804,1056 10.833,1057 13.372,1059 21.57,1060 10.348,1061 2.847,1062 10.781,1063 19.619,1064 -1.087,1065 12.002,1066 14.905,1067 4.044,1068 23.957,1069 11.478,1070 2.67,1071 8.546,1072 21.444,1073 4.173,1074 13.034,1075 16.161,1077 26.262,1078 12.442,1079 2.373,1080 7.911,1081 23.278,1082 3.818,1083 14.168,1084 17.633,1085 4.682,1086 28.635,1087 13.528,1088 2.231,1089 7.275,1090 25.12,1091 3.64,1092 15.245,1093 18.954,1095 30.977,1096 14.538,1097 1.905,1098 6.544,1099 26.969,1100 2.975,1101 16.368,1102 20.394,1103 5.331,1104 33.348,1105 15.606,1106 1.666,1107 5.422,1108 28.823,1109 2.909,1110 17.469,1111 21.753,1113 35.707,1114 16.64,1115 8797,1116 16432,1117 20.285,1118 29.057,1119 45.067,1120 46.838,1121 45.939,1122 44.916,1123 44.845,1124 59.35,1125 7.406,1126 128.128,1127 42.262,1128 5.346,1129 5.503,1130 6.238,1131 5.162,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.93,1137 11.861,1138 1.502,1139 1.561,1140 1.531,1141 1.497,1142 1.495,1143 1.978,1144 0.247,1145 4.271,1146 1.409,1147 4.002,1148 4.032,1149 4.056,1150 3.891,1151 7.437,1152 3.902,1153 3.928,1154 3.946,1155 3.902,1156 3.844,1157 5.088,1158 3.849,1159 3.775,1160 3.817,1161 3.743,1162 3.612,1163 4.985,1164 3.637,1165 3.356,1166 3.408,1167 3.495,1168 3.1,1169 4.897,1170 3.139,1171 3.304,1172 3.324,1173 3.286,1174 3.05,1175 4.71,1176 3.081,1177 3.092,1178 3.17,1179 3.003,1180 2.882,1181 4.664,1182 2.9,1183 2.978,1184 3.054,1185 2.922,1186 2.801,1187 4.136,1188 2.807,1189 2.715,1190 2.805,1191 2.846,1192 2.524,1193 4.041,1194 2.53,1195 0.15,1196 0.117,1197 0.223,1198 0.136,1199 0.105,1200 4.489,1201 0.139,1202 3.503,1203 0.046,1204 6.684,1205 0.359,1206 4.083,1207 0.098,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.93,1213 1.916,1214 1.889,1215 2.011,1216 2.044,1217 1.092,1218 2.03,1219 1.861,1220 1.845,1221 1.914,1222 1.967,1223 1.056,1224 1.959,1225 1.695,1226 1.651,1227 1.785,1228 1.85,1229 0.777,1230 1.837,1231 1.227,1232 1.185,1233 1.435,1234 1.545,1235 0.578,1236 1.508,1237 1.164,1238 1.131,1239 1.403,1240 1.519,1241 0.294,1242 1.484,1243 1.013,1244 0.943,1245 1.232,1246 1.275,1247 0.243,1248 1.267,1249 0.889,1250 0.813,1251 1.128,1252 1.156,1253 0.178,1254 1.157,1255 0.78,1256 0.782,1257 1.026,1258 0.959,1260 0.991,1261 4.111,1263 5.434,1264 2.398,1265 6.946,1266 4.595,1267 8.547,1268 6.605,1269 10.193,1272 6.274,1275 5.302,1277 0.136,1278 6.16,1279 10.833,1289 28.713,1290 74.933,1291 156.008,1292 192.008,1293 215.66,1294 215.66,1295 215.66,1296 39.071,1297 7.612,1298 111.39,1299 111.39,1300 23,1301 12.489,1302 4.322,1303 3.459,1304 40.284,1305 108,1306 94,1307 0.182,1308 178.878,1309 308,1310 428.223,1311 22789,1312 2.4,1313 18.803,1314 0.696,1315 0.543,1316 19.303,1317 14.656,1318 13.097,1319 0.437,1320 0.278,1321 7.825,1322 12.197,1323 7.683,1324 6.339,1325 13.386,1326 8.328,1327 11.98,1328 0.285,1329 0.143,1330 12.351,1331 6.024,1332 9.921,1333 0.18,1334 0.075,1335 10.28,1336 4.115,1337 8.347,1338 0.116,1339 0.038,1340 8.622,1341 2.757,1342 6.689,1343 0.076,1344 0.021,1345 7.019,1346 1.807,1347 0.288,1348 86.121,1349 0.222,1350 25.972,1351 0.494,1352 144,1353 494.678,1354 178.171,1355 501.369,1356 674.88,1357 468,1358 169,1359 477.042,1360 199.329,1361 489.361,1362 718.02,1363 459,1364 6.352}
{0 CHEMBL505637,1 1.82,2 20.08,3 7.214,4 52.042,5 200.756,6 11.778,7 0.453,8 4.49,9 4.572,10 4.424,11 4.092,12 5.797,13 4.067,14 4.94,15 5.059,16 4.878,17 4.505,18 6.164,19 4.446,20 5.266,21 5.408,22 5.182,23 4.682,24 6.565,25 4.608,26 5.379,27 5.551,28 5.033,29 4.682,30 6.667,31 4.579,32 5.356,33 5.539,34 4.98,35 4.656,36 6.588,37 4.558,38 5.343,39 5.497,40 5.175,41 4.624,42 6.661,43 4.566,44 5.35,45 5.519,46 5.402,47 4.63,48 6.689,49 4.557,50 5.283,51 5.439,52 5.026,53 4.576,54 6.75,55 4.508,56 0.421,57 1.037,58 3.247,59 7.013,60 53.68,61 7.045,62 0.497,63 1.634,64 7.784,65 11.998,66 52.912,67 13.256,68 1.034,69 2.131,70 44.643,71 18.484,72 108.66,73 18.884,74 1.503,75 2.289,76 61.619,77 21.181,78 213.167,79 21.656,80 1.293,81 2.283,82 93.667,83 21.595,84 162.895,85 21.96,86 1.47,87 2.187,88 65.256,89 19.42,90 184.633,91 17.848,92 1.553,93 2.16,94 100.146,95 21.399,96 192.692,97 20.792,98 1.489,99 2.1,100 78.116,101 19.258,102 187.219,103 19.301,104 149,105 74,106 0.274,107 0.601,108 0.699,109 0.758,110 0.78,111 0.78,112 3.934,113 1.016,114 -4.22,115 -4.16,116 -3.93,117 4,118 42.5,120 4,124 2,138 10,139 6,140 8,151 2,153 2,163 2,167 17,171 2,173 2,175 6,178 22,181 2,182 4,184 2,186 20,188 19,192 8,195 2,196 2,197 14,199 16,204 10,207 1,208 16,211 9,215 12,220 14,223 10,228 12,231 2,232 2,233 10,235 19,240 8,243 4,244 4,245 8,247 12,252 10,255 4,256 4,257 6,260 18,264 7112,265 32.825,266 32.825,267 32.825,268 32.825,269 32.825,270 28.493,271 37.458,272 18.922,273 33.711,274 25.881,275 25.881,276 25.881,277 25.881,278 25.881,279 19.811,280 34.679,281 8.764,282 27.512,283 4.502,284 2.337,285 1.69,286 1.3,287 1.15,288 1.15,289 4.618,295 2100,296 5.385,300 806.051,307 3.376,308 78.535,311 0.25,312 0.33,313 0.33,314 0.5,316 0.17,318 0.23,319 109,320 1004,321 4.579,322 3.867,323 6.793,324 4.183,325 3.216,326 4.315,327 1.893,328 11.095,329 3.106,330 4.25,331 3.866,332 6.18,333 3.856,334 2.888,335 3.881,336 1.893,337 8.994,338 2.809,339 4.215,340 3.416,341 6.044,342 3.785,343 2.832,344 3.869,345 1.058,346 8.655,347 2.753,348 4.214,349 3.387,350 6.027,351 3.761,352 2.829,353 3.869,354 1.058,355 8.487,356 2.631,357 4.124,358 3.383,359 5.95,360 3.752,361 2.782,362 3.472,363 0.61,364 8.321,365 2.627,366 4.081,367 3.191,368 5.95,369 3.661,370 2.713,371 3.45,372 0.61,373 8.32,374 2.532,375 3.545,376 3.189,377 5.397,378 3.208,379 2.24,380 2.87,382 6.704,383 2.174,384 3.523,385 3.188,386 5.225,387 3.186,388 2.23,389 2.825,391 6.44,392 2.081,393 3.513,394 2.64,395 5.22,396 3.151,397 2.175,398 2.821,400 6.416,401 2.069,402 3.465,403 2.638,404 5.202,405 3.09,406 2.121,407 2.766,409 6.363,410 2.011,411 3.407,412 2.555,413 5.2,414 2.952,415 2.067,416 2.698,417 6.194,418 1.709,419 2.934,420 2.555,421 4.551,422 2.475,423 1.519,424 1.951,425 4.144,426 1.444,427 2.934,428 2.505,429 4.161,430 2.475,431 1.519,432 1.949,433 3.726,434 1.444,435 2.82,436 1.903,437 4.159,438 2.313,439 1.414,440 1.949,441 3.725,442 1.177,443 2.82,444 1.903,445 4.042,446 2.313,447 1.414,448 1.922,449 3.523,450 1.177,451 26.6,452 0.532,453 1.456,454 0.029,455 62,456 1.24,457 32,458 0.64,459 30,460 0.6,461 63.231,462 1.265,463 52,464 0.65,465 54.492,466 1.09,467 11.894,468 0.238,469 11.908,470 0.238,471 0.301,473 0.338,478 0.865,479 0.909,480 0.491,481 0.591,482 0.855,483 0.693,484 0.588,485 1.073,486 0.583,487 0.758,488 0.545,489 0.858,490 0.749,491 1.096,492 0.864,493 1.043,494 0.771,495 1.051,496 1.026,497 1.053,498 0.848,499 0.906,500 1.06,501 1.03,502 1.001,503 1.077,504 1.09,505 1.05,506 0.924,507 1.032,508 1.302,509 1.107,510 0.959,511 1.009,512 1.326,513 0.99,514 1.019,515 1.031,516 0.802,517 0.919,518 1.155,519 0.882,520 0.841,521 1.142,522 1.049,523 1.118,524 0.82,525 1.07,526 12,527 0.462,528 6.667,529 4,530 3.236,531 1.722,532 1.711,533 1.115,534 0.921,535 0.654,536 50621,537 196773,538 1.96,539 37.5,541 14,544 8,545 4,546 4,549 1.852,550 1.786,551 4.222,552 4.363,558 145.574,559 1.82,560 3.985,561 4.632,562 5.022,563 5.172,564 5.172,565 3.673,566 4.644,567 5.607,568 4.442,569 5441.65,570 9.978,571 117554,576 505.754,577 1.554,578 5.543,579 0.226,580 0.007,581 0.09,582 0.049,583 0.044,584 0.023,585 0.022,586 0.014,587 0.012,588 0.009,589 0.496,590 0.17,591 0.5,592 0.793,593 306.506,594 -0.092,595 0.206,596 -0.012,597 0.145,598 -0.103,599 0.102,600 0.022,601 0.019,602 0.016,603 0.039,604 0.028,605 0.02,606 0.057,607 -0.062,608 -0.01,609 -0.126,610 0.018,611 -0.109,612 -0.071,613 -0.062,614 -0.042,615 0.009,616 -0.059,617 -0.056,618 -0.116,619 -0.06,620 -0.107,621 -0.07,622 -0.048,623 -0.033,624 -0.196,625 -0.09,626 -0.04,627 -0.063,628 -0.199,629 -0.053,630 0.036,631 -0.06,632 0.121,633 0.048,634 -0.045,635 0.108,636 0.148,637 -0.114,638 -0.089,639 -0.158,640 0.185,641 -0.115,642 2.284,643 5.856,644 0.48,645 92.288,646 1.027,647 1.116,648 2.993,649 8.961,650 0.731,651 3.989,652 4.317,653 4.554,654 4.727,655 4.942,656 4.99,657 5.081,658 5.187,659 5.268,660 5.252,661 11.286,662 0.698,663 942.28,664 3.989,665 5.541,666 6.382,667 7.249,668 8.106,669 8.976,670 9.839,671 10.712,672 11.58,673 12.455,674 5,681 2,683 2,690 10,695 14,697 24,713 4,715 4,716 80,718 28,719 4,720 53,721 4,722 83,723 34,724 24,725 14,726 10,727 4,728 4,729 4,738 4,740 28,741 6,744 4,749 2,752 2,753 4,760 30,761 12,762 8,763 16,764 4,769 4,775 1,776 8,794 4,804 2,807 2,817 2,819 4,822 4,827 50,832 6,833 6,834 2,849 4,850 10,852 4,853 2,855 2,858 28,859 13.838,860 11.167,861 4.349,863 4.055,864 1.473,865 0.918,866 14.882,867 12.63,868 4.248,869 4.86,870 5.38,871 5.855,872 6.373,873 6.56,874 6.842,875 7.2,876 7.51,877 7.671,878 0.929,879 82,880 18.577,881 8.06,882 8.12,883 33.95,884 27.389,885 2.62,886 131,890 258.964,891 155.369,892 246.333,894 306.635,897 339.185,898 565.599,899 62.516,901 50.371,902 94.762,903 235.946,904 143.44,906 258.964,907 183.816,908 258.964,909 217.885,910 306.635,912 183.816,913 211.88,914 353.719,917 76.866,918 141.019,920 183.816,921 258.964,922 369.151,923 339.185,926 258.964,927 60.606,928 94.762,929 219.838,930 333.13,931 258.964,932 369.151,933 339.185,935 0.587,936 0.35,937 0.169,938 0.09,939 30,940 18,941 0.157,942 13,944 1,945 5.581,946 512.934,948 24,949 232.193,954 39.973,955 18.615,956 10.854,958 369.151,959 16.092,964 4.201,966 292.366,967 967.3,968 69,973 25.712,976 6.363,977 -1.637,980 82.196,981 89.263,983 0.288,984 0.63,985 0.733,986 0.794,987 0.818,988 0.818,989 5.497,990 2.23,991 6.385,992 6.704,993 5.004,994 5.549,995 3.059,996 7.186,997 4.89,998 6.727,999 2.175,1000 7.955,1001 6.44,1002 4.691,1003 5.472,1005 8.069,1006 4.468,1007 8.049,1008 2.121,1009 9.619,1010 6.416,1011 6.608,1012 7.744,1013 4.059,1014 11.135,1015 6.423,1016 9.402,1017 2.067,1018 11.334,1019 6.363,1020 7.057,1021 8.412,1023 12.784,1024 6.771,1025 10.78,1026 1.519,1027 13.082,1028 6.194,1029 8.472,1030 10.203,1031 5.251,1032 15.396,1033 8.214,1034 12.176,1035 1.519,1036 14.851,1037 4.144,1038 9.265,1039 11.218,1041 17.401,1042 8.922,1043 13.586,1044 1.414,1045 16.637,1046 3.726,1047 10.489,1048 12.811,1049 6.502,1050 19.852,1051 10.153,1052 3.216,1053 1.414,1054 18.436,1055 3.725,1056 11.444,1057 14.006,1059 22.041,1060 11.044,1061 2.888,1062 11.095,1063 20.245,1064 3.523,1065 12.594,1066 15.508,1067 7.77,1068 24.438,1069 12.184,1070 2.832,1071 8.994,1072 22.064,1073 4.315,1074 13.63,1075 16.802,1077 26.725,1078 13.17,1079 2.829,1080 8.655,1081 23.892,1082 3.881,1083 14.753,1084 18.261,1085 9.044,1086 29.108,1087 14.274,1088 2.782,1089 8.487,1090 25.726,1091 3.869,1092 15.831,1093 19.612,1095 31.448,1096 15.311,1097 2.713,1098 8.321,1099 27.568,1100 3.869,1101 16.949,1102 21.051,1103 10.319,1104 33.833,1105 16.404,1106 2.24,1107 8.32,1108 29.415,1109 3.472,1110 18.051,1111 22.436,1113 36.202,1114 17.47,1115 49161,1116 97138,1117 33.638,1118 58.489,1119 78.743,1120 86.828,1121 82.903,1122 78.612,1123 77.985,1124 101.399,1125 14.243,1126 224.752,1127 72.548,1128 5.512,1129 5.867,1130 6.344,1131 5.199,1132 5.216,1133 7.315,1134 3.786,1135 18.568,1136 5.106,1137 35.666,1138 1.486,1139 1.638,1140 1.564,1141 1.483,1142 1.471,1143 1.913,1144 0.269,1145 4.241,1146 1.369,1147 4.053,1148 4.067,1149 6.886,1150 4.014,1151 7.432,1152 4.005,1153 3.938,1154 3.958,1155 6.879,1156 3.896,1157 7.427,1158 3.88,1159 3.92,1160 3.942,1161 6.879,1162 3.876,1163 6.545,1164 3.86,1165 3.838,1166 3.859,1167 6.878,1168 3.787,1169 6.539,1170 3.772,1171 3.68,1172 3.713,1173 3.944,1174 3.486,1175 6.479,1176 3.513,1177 3.627,1178 3.66,1179 3.8,1180 3.446,1181 6.468,1182 3.465,1183 3.406,1184 3.463,1185 3.788,1186 3.258,1187 6.467,1188 3.245,1189 3.385,1190 3.434,1191 3.728,1192 3.244,1193 6.461,1194 3.228,1195 0.086,1196 0.073,1197 0.128,1198 0.079,1199 0.061,1200 4.579,1201 0.081,1202 3.867,1203 0.036,1204 6.793,1205 0.209,1206 4.183,1207 0.059,1208 3.216,1209 4.315,1210 1.893,1211 11.095,1212 3.106,1213 2,1214 1.99,1215 2.048,1216 2.06,1217 1.27,1218 2.064,1219 1.91,1220 1.89,1221 2.007,1222 1.999,1223 1.231,1224 2.009,1225 1.909,1226 1.89,1227 2.004,1228 1.993,1229 1.229,1230 2.005,1231 1.816,1232 1.797,1233 1.898,1234 1.914,1235 1.123,1236 1.914,1237 1.577,1238 1.54,1239 1.715,1240 1.801,1241 0.884,1242 1.773,1243 1.537,1244 1.499,1245 1.694,1246 1.744,1247 0.875,1248 1.733,1249 1.377,1250 1.324,1251 1.566,1252 1.581,1253 0.79,1254 1.581,1255 1.342,1256 1.298,1257 1.477,1258 1.544,1259 0.646,1260 1.534,1261 4.673,1263 5.999,1265 7.508,1267 9.103,1269 10.742,1270 13.137,1276 60.654,1277 1.076,1278 5.401,1289 55.807,1290 145.574,1291 318.786,1292 370.535,1293 401.754,1294 413.754,1295 413.754,1296 204.511,1297 8.575,1298 204.3,1299 204.3,1300 24,1301 12.996,1302 4.858,1303 4.087,1304 104.722,1305 329,1306 370,1307 0.147,1308 367.301,1309 652.92,1310 887.973,1311 84645,1312 5,1313 36.534,1314 0.731,1315 0.645,1316 40.534,1317 32.266,1318 23.802,1319 0.449,1320 0.339,1321 14.78,1322 20.805,1323 14.303,1324 11.756,1325 26.112,1326 17.942,1327 21.567,1328 0.291,1329 0.195,1330 24.533,1331 14.395,1332 18.205,1333 0.194,1334 0.106,1335 21.337,1336 9.947,1337 13.461,1338 0.12,1339 0.06,1340 15.622,1341 6.758,1342 10.613,1343 0.076,1344 0.032,1345 12.104,1346 4.435,1347 0.239,1348 183.201,1349 0.172,1350 43.744,1351 0.382,1352 254,1353 868.943,1354 539.422,1355 987.485,1356 1255.58,1357 902,1358 295,1359 784.155,1360 460.177,1361 843.281,1362 1215.17,1363 788,1364 5.469}
{0 CHEMBL509032,1 1.669,2 16.976,3 5.342,4 28.539,5 170.073,6 7.491,7 0.391,8 4.496,9 4.621,10 4.163,11 4.017,12 5.479,13 3.968,14 5.087,15 5.281,16 4.512,17 4.43,18 6.136,19 4.363,20 5.368,21 5.577,22 4.642,23 4.636,24 6.374,25 4.539,26 5.512,27 5.748,28 4.531,29 4.679,30 6.503,31 4.55,32 5.508,33 5.768,34 4.534,35 4.659,36 6.41,37 4.527,38 5.461,39 5.721,40 4.567,41 4.606,42 6.38,43 4.475,44 5.352,45 5.6,46 4.534,47 4.505,48 6.362,49 4.394,50 5.262,51 5.504,52 4.401,53 4.44,54 6.273,55 4.314,56 0.076,57 1.264,58 20.736,59 7.815,60 18.574,61 10.317,62 0.513,63 2.034,64 39.117,65 12.934,66 65.567,67 17.58,68 0.659,69 2.533,70 58.987,71 17.554,72 70.348,73 23.955,74 0.886,75 2.662,76 63.492,77 20.784,78 112.54,79 28.418,80 0.721,81 2.642,82 62.501,83 20.106,84 86.361,85 29.046,86 0.73,87 2.492,88 65.052,89 18.696,90 85.627,91 26.67,92 0.879,93 2.241,94 58.969,95 16.151,96 93.724,97 23.233,98 0.792,99 2.048,100 52.656,101 15.458,102 87.343,103 22.089,104 55,105 66,106 0.253,107 0.547,108 0.741,109 0.808,110 0.836,111 0.836,112 3.765,113 1.065,114 -4.41,115 -4.34,116 -4.09,118 36.6,119 2,120 2,123 2,124 6,126 2,138 7,140 6,141 1,143 1,146 1,167 4,170 2,171 7,173 3,175 2,178 5,181 1,182 10,184 1,186 5,188 2,191 2,192 8,195 3,196 1,197 1,199 6,203 2,204 10,206 1,208 3,211 7,214 2,215 6,220 2,223 4,227 3,228 7,231 1,233 6,235 2,239 3,240 2,243 2,245 1,247 5,252 9,255 2,257 2,260 4,264 3848,265 28.021,266 28.021,267 28.021,268 28.021,269 28.021,270 25.553,271 45.937,272 16.129,273 29.213,274 22.581,275 22.581,276 22.581,277 22.581,278 22.581,279 18.7,280 76.143,281 7.52,282 24.496,283 4.689,284 2.745,285 1.469,286 1.022,287 0.842,288 0.842,289 4.464,290 1,294 1,295 1538,296 4.243,300 778.263,307 2.931,308 44.704,311 0.75,312 0.67,313 0.67,314 0.9,315 1,316 0.83,317 1,318 0.83,319 90.833,320 713,321 4.948,322 5.35,323 7.68,324 4.389,325 3.523,326 4.789,327 2.95,328 13.626,329 3.028,330 4.34,331 3.27,332 6.301,333 3.966,334 3.018,335 3.977,336 0.86,337 9.609,338 2.863,339 4.239,340 3.232,341 6.164,342 3.829,343 2.907,344 3.87,345 0.8,346 9.113,347 2.7,348 3.922,349 3.133,350 6.138,351 3.769,352 2.841,353 3.433,354 0.8,355 9.005,356 2.586,357 3.88,358 3.094,359 5.981,360 3.543,361 2.615,362 3.101,363 0.8,364 8.504,365 2.424,366 3.756,367 2.924,368 5.874,369 3.411,370 2.465,371 2.851,372 0.4,373 7.768,374 2.305,375 3.463,376 2.614,377 5.212,378 3.223,379 2.296,380 2.752,381 0.4,382 6.436,383 2.127,384 3.309,385 2.467,386 5.046,387 3.031,388 2.135,389 2.321,391 6.101,392 1.895,393 2.967,394 2.295,395 4.709,396 2.617,397 1.668,398 2.145,400 4.617,401 1.576,402 2.889,403 1.895,404 4.528,405 2.527,406 1.599,407 2.025,409 4.233,410 1.47,411 2.81,412 1.815,413 4.327,414 2.455,415 1.52,416 1.9,417 4.038,418 1.408,419 2.785,420 1.717,421 4.172,422 2.429,423 1.46,424 1.846,425 3.542,426 1.401,427 2.715,428 1.428,429 4.155,430 2.239,431 1.3,432 1.794,433 3.533,434 1.197,435 2.435,436 1.378,437 3.754,438 2.186,439 1.238,440 1.349,441 3.032,442 1.169,443 2.323,444 1.146,445 3.551,446 2,447 1,448 1.316,449 2.419,450 1,451 20.348,452 0.484,453 1.194,454 0.028,455 51.5,456 1.226,457 23,458 0.548,459 28.5,460 0.679,461 45.665,462 1.087,463 47.452,464 0.579,465 44.618,466 1.062,467 9.545,468 0.227,469 10.605,470 0.253,471 0.166,472 0.041,473 0.305,478 0.715,479 1.607,480 0.776,481 1.256,482 0.66,483 1.061,484 0.977,485 1.07,486 0.824,487 0.885,488 0.601,489 0.869,490 0.988,491 1.186,492 1.113,493 1.204,494 0.84,495 1.053,496 1.096,497 1.009,498 0.933,499 0.996,500 1.404,501 1.041,502 0.776,503 1.001,504 0.727,505 0.895,506 0.812,507 0.931,508 0.974,509 1.007,510 0.825,511 0.845,512 0.689,513 0.909,514 1.007,515 0.941,516 0.953,517 0.9,518 0.699,519 0.91,520 0.875,521 1.033,522 1.015,523 0.956,524 0.757,525 1.004,526 10,527 0.347,528 6.222,529 2.75,530 2.471,531 1.722,532 1.336,533 0.8,534 0.542,535 0.401,536 32680,537 80267,538 2.054,539 48.8,541 27,543 1,544 2,546 6,547 4,549 1.808,550 1.902,551 3.996,552 0.173,558 136.829,559 1.669,560 3.612,561 4.889,562 5.336,563 5.516,564 5.516,565 3.529,566 4.916,567 5.362,568 4.222,569 3635.4,570 9.462,571 67680.4,576 521.319,577 1.583,578 5.308,579 0.217,580 0.007,581 0.094,582 0.038,583 0.038,584 0.026,585 0.022,586 0.014,587 0.01,588 0.008,589 0.475,590 0.17,591 0.63,592 0.897,593 244.023,594 0.037,595 -0.294,596 0.136,597 -0.099,598 -0.096,599 -0.016,600 0.038,601 0.104,602 0.086,603 0.124,604 0.203,605 0.103,606 -0.002,607 -0.058,608 -0.059,609 -0.116,610 0.097,611 -0.058,612 -0.025,613 -0.019,614 -0.056,615 -0.029,616 -0.052,617 -0.06,618 0.066,619 -0.036,620 0.1,621 0.034,622 0.034,623 0.057,624 -0.018,625 -0.03,626 0.112,627 0.078,628 0.039,629 0.061,630 0.07,631 0.054,632 0.088,633 0.038,634 0.122,635 0.055,636 0.121,637 -0.039,638 0.016,639 -0.012,640 0.092,641 -0.023,642 4.439,643 5.909,644 0.714,645 58.993,646 1.001,647 1.135,648 3.18,649 10.109,650 0.657,651 3.85,652 4.205,653 4.477,654 4.682,655 4.942,656 5.004,657 5.147,658 5.252,659 5.38,660 5.537,661 9.788,662 0.613,663 614.29,664 3.85,665 5.416,666 6.275,667 7.159,668 8.034,669 8.919,670 9.799,671 10.684,672 11.566,673 12.453,674 8.5,677 2,680 1,682 2,684 2,690 8,691 2,695 8,697 18,709 2,711 1,714 1,715 1,716 82,718 20,719 2,720 46,722 86,723 30,724 16,725 5,726 7,728 5,729 5,730 1,732 2,735 3,738 4,740 16,741 14,744 2,747 1,749 2,760 40,761 10,762 2,763 12,764 2,769 7,775 1,776 3,788 1,794 5,816 2,819 5,821 1,823 4,824 1,827 42,830 1,833 8,834 2,835 1,837 2,838 3,849 1,850 3.7,853 2,855 1,858 22.083,859 15.643,860 9.139,861 4.995,863 3.708,864 1.419,865 0.973,866 9.927,867 12.552,868 4.06,869 4.649,870 5.149,871 5.621,872 6.14,873 6.328,874 6.685,875 7.026,876 7.376,877 7.775,878 1,879 72,880 15.822,881 6.965,882 7.679,883 30.315,884 25.451,885 2.179,886 91.528,890 447.302,891 158.852,892 78.966,893 39.149,894 55.313,896 6.046,897 152.806,898 541.763,899 78.966,900 36.93,901 17.703,902 72.38,903 89.655,904 84.007,905 4.227,906 435.531,907 39.149,908 447.302,909 231.772,910 55.313,911 45.195,913 329.591,914 173.024,917 88.57,918 109.63,919 78.766,921 447.302,922 134.278,923 198.001,925 6.046,926 447.302,927 40.495,928 121.684,929 36.022,930 128.033,931 447.302,932 134.278,933 198.001,935 0.592,936 0.353,937 0.175,938 0.099,939 31,940 15,941 0.105,942 9,944 1,945 5.054,946 424.576,948 30,949 214.477,953 1,954 30.985,955 13.456,956 7.207,958 134.278,959 14.298,960 8.877,964 3.95,966 36.022,967 779.581,968 57,971 -3.522,973 25.817,980 82.116,981 93.039,983 0.262,984 0.568,985 0.769,986 0.839,987 0.868,988 0.868,989 5.335,990 2.135,991 6.293,992 6.436,993 4.89,994 5.338,995 3.153,996 7.146,997 4.731,998 6.548,999 1.668,1000 7.892,1001 6.101,1002 4.635,1003 5.352,1004 0.766,1005 8.31,1006 4.315,1007 7.883,1008 1.599,1009 9.603,1010 4.617,1011 6.564,1012 7.565,1013 5.044,1014 11.371,1015 6.218,1016 9.259,1017 1.52,1018 11.384,1019 4.233,1020 7.124,1021 8.42,1022 0.653,1023 13.41,1024 6.59,1025 10.675,1026 1.46,1027 13.213,1028 4.038,1029 8.566,1030 10.183,1031 7.186,1032 16.09,1033 7.995,1034 12.119,1035 1.3,1036 15.079,1037 3.542,1038 9.485,1039 11.408,1040 0.482,1041 18.478,1042 8.723,1043 13.587,1044 1.238,1045 16.975,1046 3.533,1047 10.76,1048 13.019,1049 9.348,1050 21.081,1051 9.928,1052 3.523,1053 1,1054 18.894,1055 3.032,1056 11.842,1057 14.414,1058 0.337,1059 23.605,1060 10.829,1061 3.018,1062 13.626,1063 20.833,1064 2.419,1065 13.066,1066 15.975,1067 11.511,1068 26.201,1069 11.949,1070 2.907,1071 9.609,1072 22.789,1073 4.789,1074 14.225,1075 17.45,1076 0.229,1077 28.778,1078 12.934,1079 2.841,1080 9.113,1081 24.76,1082 3.977,1083 15.441,1084 18.998,1085 13.675,1086 31.38,1087 14.021,1088 2.615,1089 9.005,1090 26.742,1091 3.87,1092 16.639,1093 20.514,1094 0.153,1095 33.977,1096 15.05,1097 2.465,1098 8.504,1099 28.735,1100 3.433,1101 17.861,1102 22.061,1103 15.838,1104 36.584,1105 16.127,1106 2.296,1107 7.768,1108 30.736,1109 3.101,1110 19.08,1111 23.598,1112 0.1,1113 39.189,1114 17.179,1115 30869,1116 48895,1117 30.224,1118 53.853,1119 69.39,1120 71.442,1121 72.024,1122 69.358,1123 69.2,1124 85.338,1125 14.02,1126 204.493,1127 63.913,1128 5.948,1129 7.35,1130 7.359,1131 5.487,1132 5.523,1133 7.789,1134 5.9,1135 21.688,1136 5.028,1137 24.449,1138 1.508,1139 1.553,1140 1.566,1141 1.508,1142 1.504,1143 1.855,1144 0.305,1145 4.445,1146 1.389,1147 4.117,1148 4.11,1149 4.748,1150 4.123,1151 7.714,1152 4.025,1153 3.998,1154 4.03,1155 4.019,1156 3.883,1157 6.999,1158 3.887,1159 3.877,1160 3.934,1161 3.903,1162 3.712,1163 5.102,1164 3.72,1165 3.811,1166 3.853,1167 3.764,1168 3.684,1169 4.853,1170 3.678,1171 3.694,1172 3.742,1173 3.693,1174 3.599,1175 4.705,1176 3.577,1177 3.662,1178 3.709,1179 3.548,1180 3.496,1181 4.507,1182 3.496,1183 3.267,1184 3.344,1185 3.309,1186 3.078,1187 4.453,1188 3.029,1189 3.233,1190 3.295,1191 3.134,1192 3.009,1193 4.374,1194 3.021,1195 0.108,1196 0.116,1197 0.167,1198 0.095,1199 0.077,1200 4.948,1201 0.104,1202 5.35,1203 0.064,1204 7.68,1205 0.296,1206 4.389,1207 0.066,1208 3.523,1209 4.789,1210 2.95,1211 13.626,1212 3.028,1213 1.997,1214 2.011,1215 2.085,1216 2.098,1217 1.446,1218 2.104,1219 1.936,1220 1.899,1221 2.002,1222 2.064,1223 1.331,1224 2.095,1225 1.829,1226 1.773,1227 1.976,1228 2.006,1229 1.24,1230 2.003,1231 1.726,1232 1.693,1233 1.884,1234 1.912,1235 1.068,1236 1.91,1237 1.666,1238 1.624,1239 1.868,1240 1.835,1241 1.021,1242 1.857,1243 1.64,1244 1.58,1245 1.727,1246 1.788,1247 0.825,1248 1.8,1249 1.209,1250 1.134,1251 1.571,1252 1.519,1253 0.825,1254 1.535,1255 1.173,1256 1.121,1257 1.54,1258 1.466,1259 0.757,1260 1.494,1261 4.533,1263 5.878,1265 7.421,1267 9.048,1269 10.715,1271 7.15,1272 6.41,1277 8.935,1278 6.322,1279 5.735,1281 0.081,1282 7.476,1289 50.264,1290 136.829,1291 296.196,1292 400.874,1293 437.545,1294 452.3,1295 452.3,1296 90.812,1297 8.844,1298 102.93,1299 111.31,1300 30,1301 12.985,1302 4.392,1303 3.585,1304 69.213,1305 249,1306 278,1307 0.133,1308 314.24,1309 546.39,1310 758.505,1311 110020,1312 1.2,1313 29.855,1314 0.711,1315 0.625,1316 30.605,1317 26.25,1318 20.15,1319 0.438,1320 0.355,1321 14.343,1322 18.193,1323 13.738,1324 11.384,1325 21.228,1326 16.329,1327 18.711,1328 0.284,1329 0.213,1330 20.467,1331 14.052,1332 15.981,1333 0.184,1334 0.122,1335 17.772,1336 10.614,1337 12.216,1338 0.114,1339 0.064,1340 13.266,1341 6.831,1342 10.358,1343 0.075,1344 0.036,1345 11.315,1346 4.956,1347 0.216,1348 137.605,1349 0.182,1350 37.898,1351 0.347,1352 224,1353 623.162,1354 300.72,1355 649.639,1356 880.16,1357 604,1358 265,1359 603.65,1360 345.555,1361 655.611,1362 958.46,1363 613,1364 6.063}
{0 CHEMBL513909,1 1.525,2 14.237,3 3.655,4 13.36,5 148.213,6 6.776,7 0.286,8 4.432,9 4.57,10 3.921,11 3.892,12 5.424,13 3.869,14 5.038,15 5.248,16 4.303,17 4.321,18 5.967,19 4.272,20 5.327,21 5.562,22 4.434,23 4.515,24 6.261,25 4.439,26 5.431,27 5.678,28 4.445,29 4.554,30 6.405,31 4.474,32 5.442,33 5.683,34 4.457,35 4.572,36 6.485,37 4.487,38 5.406,39 5.644,40 4.35,41 4.546,42 6.381,43 4.44,44 5.411,45 5.686,46 4.183,47 4.452,48 6.3,49 4.321,50 5.263,51 5.539,52 4.107,53 4.326,54 6.139,55 4.205,56 0.032,57 1.179,58 18.11,59 6.578,60 11.145,61 9.87,62 0.476,63 1.902,64 35.32,65 11.066,66 36.537,67 17.074,68 0.556,69 2.349,70 47.751,71 14.58,72 54.5,73 22.827,74 0.654,75 2.456,76 53.861,77 15.746,78 79.905,79 24.541,80 1.011,81 2.478,82 54.847,83 15.761,84 111.883,85 24.678,86 0.642,87 2.419,88 52.039,89 15.848,90 80.741,91 24.641,92 0.768,93 2.258,94 53.425,95 14.967,96 86.391,97 24.141,98 0.738,99 1.93,100 46.069,101 13.81,102 76.125,103 21.436,104 41,105 60,106 0.235,107 0.541,108 0.765,109 0.845,110 0.845,111 0.845,112 3.668,113 0.983,114 -4.05,115 -4,116 -3.79,118 36.4,119 1,120 7,123 3,124 2,126 3,138 3,139 1,140 3,141 1,143 1,146 1,153 2,167 7,170 3,171 7,173 3,175 4,178 6,181 4,182 9,184 1,186 4,188 1,191 1,192 11,195 2,197 2,199 4,203 5,204 11,206 2,211 8,214 1,215 11,218 1,219 1,220 3,223 4,227 1,228 10,231 1,233 3,239 3,240 4,243 2,245 2,247 3,251 1,252 5,260 9,264 2746,265 25.825,266 25.825,267 25.825,268 25.825,269 25.825,270 24.229,271 41.796,272 14.896,273 26.489,274 20.56,275 20.56,276 20.56,277 20.56,278 20.56,279 17.857,280 69.22,281 6.879,282 21.543,283 4.742,284 2.765,285 1.313,286 0.792,287 0.792,288 0.792,289 4.37,294 1,295 1181,296 3.674,299 95.957,300 491.975,304 184.801,307 2.488,308 39.385,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 82.5,320 541,321 4.556,322 3.94,323 7.095,324 4.309,325 3.364,326 4.074,327 1.989,328 12.265,329 3.179,330 4.337,331 3.579,332 6.265,333 3.962,334 2.987,335 3.964,336 1.058,337 9.475,338 2.92,339 3.977,340 3.207,341 6.218,342 3.685,343 2.725,344 3.31,345 0.86,346 9.008,347 2.606,348 3.85,349 3.103,350 6.021,351 3.621,352 2.668,353 3.169,354 0.835,355 8.455,356 2.543,357 3.738,358 2.837,359 5.936,360 3.525,361 2.565,362 2.805,363 0.8,364 8.238,365 2.462,366 3.571,367 2.803,368 5.392,369 3.425,370 2.453,371 2.7,372 0.543,373 7.057,374 2.377,375 3.437,376 2.464,377 5.302,378 3.107,379 2.167,380 2.588,381 0.4,382 6.625,383 2.026,384 3.096,385 2.306,386 5.09,387 2.976,388 2.038,389 2.138,391 5.761,392 1.904,393 3.081,394 2.176,395 4.893,396 2.92,397 1.97,398 2.13,400 5.676,401 1.857,402 2.887,403 1.938,404 4.347,405 2.467,406 1.527,407 2.022,409 4.065,410 1.429,411 2.714,412 1.808,413 4.146,414 2.279,415 1.272,416 1.692,417 3.349,418 1.27,419 2.586,420 1.647,421 4.044,422 2.175,423 1.206,424 1.593,425 3.124,426 1.164,427 2.177,428 1.243,429 3.827,430 2.095,431 1.128,432 1.169,433 2.618,434 1.087,435 2,436 1.14,437 3.414,438 1.984,439 1,440 1,441 2.275,442 0.983,443 1.992,444 1.077,445 3.31,446 1.651,447 0.66,448 0.786,449 1.372,450 0.647,451 17.8,452 0.468,453 0.955,454 0.025,455 43.25,456 1.138,457 17,458 0.447,459 26.25,460 0.691,461 42.518,462 1.119,463 43.4,464 0.564,465 36.805,466 0.969,467 7.813,468 0.206,469 10.576,470 0.278,471 0.15,473 0.376,478 0.804,479 1.678,480 0.864,481 1.322,482 0.564,483 1.127,484 0.885,485 1.115,486 0.894,487 0.975,488 0.54,489 0.934,490 0.906,491 1.162,492 0.936,493 1.064,494 0.799,495 1.005,496 1.21,497 1.052,498 0.98,499 0.975,500 1.298,501 0.945,502 1.148,503 0.986,504 1.035,505 0.937,506 1.399,507 0.962,508 1.105,509 1.185,510 1.132,511 1.161,512 1.257,513 1.151,514 1.139,515 0.977,516 1.084,517 0.956,518 1.098,519 0.997,520 0.988,521 0.805,522 0.93,523 0.848,524 0.799,525 0.875,526 7.5,527 0.307,528 4.667,529 2.903,530 3.186,531 1.576,532 1.003,533 0.777,534 0.502,535 0.385,536 23285,537 50645,538 2.081,539 50.6,540 7,541 19,543 1,544 2,546 6,547 4,549 1.787,550 1.932,551 3.72,552 0.175,558 117.4,559 1.525,560 3.502,561 4.954,562 5.474,563 5.474,564 5.474,565 3.242,566 4.86,567 5.218,568 3.97,569 2790.61,570 9.189,571 46312.4,576 482.543,577 1.462,578 5.171,579 0.179,580 0.007,581 0.078,582 0.044,583 0.048,584 0.024,585 0.017,586 0.016,587 0.011,588 0.008,589 0.433,590 0.33,591 0.63,592 0.782,593 211.289,594 -0.021,595 -0.336,596 0.075,597 -0.128,598 0.001,599 -0.029,600 0.08,601 0.069,602 0.09,603 0.07,604 0.091,605 0.076,606 0.049,607 -0.064,608 0.047,609 -0.046,610 0.06,611 -0.006,612 -0.082,613 -0.016,614 0.025,615 0.01,616 -0.051,617 0.032,618 0.052,619 0.061,620 -0.02,621 0.043,622 -0.001,623 0.008,624 -0.073,625 -0.125,626 -0.144,627 -0.149,628 -0.099,629 -0.157,630 -0.1,631 0.002,632 -0.084,633 -0.009,634 -0.105,635 -0.036,636 0.041,637 0.15,638 0.066,639 0.117,640 0.027,641 0.099,642 1.764,643 6.135,644 0.711,645 45.526,646 0.998,647 1.14,648 2.823,649 7.97,650 0.631,651 3.761,652 4.111,653 4.431,654 4.718,655 4.984,656 5.106,657 5.242,658 5.366,659 5.481,660 5.568,661 8.367,662 0.594,663 521.74,664 3.761,665 5.323,666 6.196,667 7.093,668 7.985,669 8.888,670 9.788,671 10.694,672 11.599,673 12.508,674 9.1,677 1,680 1,681 2,682 1,684 2,690 4,691 2,695 6,697 12,704 1,709 1,711 1,714 1,716 77,718 14,719 1,720 42,722 81,723 28,724 10,725 3,726 3,727 1,728 5,729 6,732 1,735 9,738 10,740 12,741 16,744 2,749 2,753 2,760 39,761 10,762 2,763 10,769 7,775 0.8,776 3,788 1,793 1,794 4,798 1,808 1,816 1,819 4,823 4,827 38,833 9,834 2,835 1,837 3,838 3,850 3.9,853 2,855 1,858 19.667,859 14.833,860 8.417,861 5.044,863 2.423,864 1.283,865 0.96,866 8.292,867 10.981,868 3.932,869 4.454,870 4.98,871 5.488,872 6.014,873 6.284,874 6.639,875 6.973,876 7.322,877 7.645,878 1,879 66,880 14.194,881 6.108,882 7.64,883 27.632,884 23.323,885 2.14,886 81.333,890 435.531,891 123.509,892 78.966,894 61.29,897 123.509,898 496.821,899 78.966,900 36.501,901 43.088,902 28.429,903 105.041,904 58.249,905 4.227,906 423.76,908 435.531,909 202.475,910 61.29,913 317.82,914 179.001,917 83.995,918 84.909,919 33.571,921 435.531,922 140.255,923 123.509,926 435.531,927 49.532,928 83.35,929 36.022,930 94.861,931 435.531,932 140.255,933 123.509,935 0.584,936 0.359,937 0.198,938 0.11,939 29,940 14,941 0.086,942 7,943 1,944 1.074,945 4.677,946 384.045,947 0.074,948 27,949 191.421,954 27.013,955 11.665,956 5.602,958 140.255,959 7.073,960 9.424,964 3.695,966 36.022,967 699.295,968 50,973 26.043,977 -0.007,980 76.832,981 87.76,983 0.243,984 0.559,985 0.791,986 0.874,987 0.874,988 0.874,989 5.215,990 2.038,991 6.196,992 6.625,993 4.796,994 5.142,995 2.653,996 7.048,997 4.707,998 6.389,999 1.97,1000 7.784,1001 5.761,1002 4.443,1003 4.956,1004 1.803,1005 8.03,1006 4.306,1007 7.692,1008 1.527,1009 9.47,1010 5.676,1011 6.431,1012 7.203,1013 3.28,1014 11.165,1015 6.252,1016 9.025,1017 1.272,1018 11.215,1019 4.065,1020 6.899,1021 7.827,1022 3.237,1023 12.979,1024 6.672,1025 10.392,1026 1.206,1027 12.998,1028 3.349,1029 8.353,1030 9.586,1031 4.354,1032 15.661,1033 8.083,1034 11.78,1035 1.128,1036 14.808,1037 3.124,1038 9.192,1039 10.576,1040 4.691,1041 17.843,1042 8.872,1043 13.187,1044 1,1045 16.638,1046 2.618,1047 10.452,1048 12.145,1049 5.607,1050 20.386,1051 10.085,1052 3.364,1053 0.66,1054 18.484,1055 2.275,1056 11.468,1057 13.319,1058 6.118,1059 22.741,1060 11.049,1061 2.987,1062 12.265,1063 20.344,1064 1.372,1065 12.661,1066 14.802,1067 6.929,1068 25.245,1069 12.192,1070 2.725,1071 9.475,1072 22.215,1073 4.074,1074 13.764,1075 16.073,1076 7.524,1077 27.68,1078 13.239,1079 2.668,1080 9.008,1081 24.096,1082 3.964,1083 14.941,1084 17.512,1085 8.278,1086 30.176,1087 14.362,1088 2.565,1089 8.455,1090 25.986,1091 3.31,1092 16.087,1093 18.837,1094 8.915,1095 32.648,1096 15.45,1097 2.453,1098 8.238,1099 27.884,1100 3.169,1101 17.265,1102 20.254,1103 9.639,1104 35.146,1105 16.572,1106 2.167,1107 7.057,1108 29.789,1109 2.805,1110 18.435,1111 21.608,1112 10.3,1113 37.636,1114 17.682,1115 21931,1116 32586,1117 27.857,1118 48.586,1119 63.096,1120 64.991,1121 66.159,1122 62.827,1123 62.777,1124 73.874,1125 12.968,1126 185.722,1127 60.058,1128 5.556,1129 5.94,1130 6.69,1131 5.394,1132 5.364,1133 7.074,1134 3.465,1135 20.265,1136 5.179,1137 20.817,1138 1.502,1139 1.547,1140 1.575,1141 1.496,1142 1.495,1143 1.759,1144 0.309,1145 4.422,1146 1.43,1147 4.048,1148 4.097,1149 4.002,1150 3.903,1151 7.43,1152 3.918,1153 3.938,1154 3.976,1155 3.886,1156 3.82,1157 7.426,1158 3.83,1159 3.845,1160 3.904,1161 3.73,1162 3.689,1163 5.01,1164 3.69,1165 3.784,1166 3.839,1167 3.665,1168 3.649,1169 4.81,1170 3.649,1171 3.596,1172 3.656,1173 3.507,1174 3.429,1175 4.401,1176 3.434,1177 3.42,1178 3.486,1179 3.332,1180 3.17,1181 4.365,1182 3.201,1183 3.337,1184 3.423,1185 3.181,1186 3.075,1187 4.311,1188 3.092,1189 3.241,1190 3.314,1191 3.054,1192 2.978,1193 4.132,1194 2.983,1195 0.108,1196 0.094,1197 0.169,1198 0.103,1199 0.08,1200 4.556,1201 0.097,1202 3.94,1203 0.047,1204 7.095,1205 0.292,1206 4.309,1207 0.076,1208 3.364,1209 4.074,1210 1.989,1211 12.265,1212 3.179,1213 1.925,1214 1.899,1215 2.051,1216 2.096,1217 1.4,1218 2.071,1219 1.871,1220 1.827,1221 2.004,1222 2.047,1223 1.313,1224 2.046,1225 1.815,1226 1.755,1227 1.967,1228 1.976,1229 1.211,1230 1.976,1231 1.579,1232 1.52,1233 1.86,1234 1.774,1235 1.112,1236 1.793,1237 1.577,1238 1.507,1239 1.798,1240 1.751,1241 1.094,1242 1.78,1243 1.516,1244 1.451,1245 1.758,1246 1.701,1247 0.876,1248 1.731,1249 1.331,1250 1.264,1251 1.61,1252 1.622,1253 0.825,1254 1.614,1255 1.276,1256 1.19,1257 1.571,1258 1.568,1259 0.745,1260 1.571,1261 4.443,1263 5.784,1264 2.398,1265 7.326,1266 4.443,1267 8.965,1268 6.293,1269 10.659,1271 7.54,1277 9.06,1278 6.437,1279 5.625,1281 0.261,1282 6.183,1289 45.723,1290 117.4,1291 269.671,1292 381.465,1293 421.523,1294 421.523,1295 421.523,1296 80.143,1297 8.557,1298 102.93,1299 102.93,1300 29,1301 13.025,1302 3.907,1303 3.17,1304 59.237,1305 193,1306 224,1307 0.15,1308 278.519,1309 491.61,1310 671.346,1311 69646,1313 26.811,1314 0.706,1315 0.602,1316 26.811,1317 22.866,1318 18.389,1319 0.438,1320 0.328,1321 13.54,1322 17.558,1323 13.164,1324 10.943,1325 18.389,1326 13.766,1327 16.495,1328 0.275,1329 0.178,1330 16.495,1331 10.66,1332 14.634,1333 0.176,1334 0.099,1335 14.634,1336 8.176,1337 12.164,1338 0.11,1339 0.053,1340 12.164,1341 5.921,1342 9.969,1343 0.069,1344 0.028,1345 9.969,1346 4.01,1347 0.238,1348 116.099,1349 0.189,1350 34.488,1351 0.402,1352 204,1353 554.098,1354 226.655,1355 527.84,1356 728.12,1357 496,1358 245,1359 543.776,1360 269.849,1361 547.986,1362 810.21,1363 514,1364 5}
{0 CHEMBL514016,1 1.69,2 11.643,3 6.815,4 46.446,5 114.964,6 10.583,7 0.844,8 3.838,9 3.918,10 3.752,11 3.589,12 5.03,13 3.547,14 4.298,15 4.397,16 4.193,17 3.992,18 5.502,19 3.932,20 4.51,21 4.652,22 4.244,23 4.084,24 5.653,25 3.993,26 4.495,27 4.656,28 4.256,29 3.999,30 5.667,31 3.888,32 4.359,33 4.529,34 3.957,35 3.874,36 5.452,37 3.776,38 4.256,39 4.394,40 3.988,41 3.818,42 5.45,43 3.734,44 4.304,45 4.475,46 3.874,47 3.799,48 5.406,49 3.668,50 4.16,51 4.359,52 3.74,53 3.571,54 5.249,55 3.429,56 0.05,57 0.523,58 2.739,59 2.528,60 4.807,61 2.781,62 0.134,63 0.884,64 5.518,65 4.366,66 11.013,67 4.732,68 0.219,69 1.079,70 16.146,71 6.871,72 21.376,73 7.192,74 0.373,75 1.121,76 23,77 7.687,78 29.054,79 7.234,80 0.255,81 0.957,82 18.128,83 6.617,84 23.659,85 6.479,86 0.235,87 0.767,88 10.057,89 4.854,90 19.146,91 5.869,92 0.192,93 0.811,94 16.37,95 6.29,96 21.183,97 7.354,98 0.259,99 0.728,100 19.206,101 6.116,102 26.055,103 7.295,104 5,105 46,106 0.289,107 0.56,108 0.751,109 0.902,110 0.91,111 0.91,112 3.375,113 0.944,114 -6.45,115 -6.28,116 -5.83,118 52.5,138 10,139 2,140 3,142 2,143 1,144 1,148 1,156 1,167 7,170 1,171 6,173 1,175 3,178 14,182 5,186 2,188 8,192 10,195 1,197 4,199 10,204 1,211 7,215 5,218 1,220 2,223 15,228 1,235 10,239 1,240 4,245 2,247 7,252 1,257 2,260 2,264 1132,265 19.256,266 19.256,267 19.256,268 19.256,269 19.256,270 16.094,271 12.689,272 11.249,273 19.911,274 15.841,275 15.841,276 15.841,277 15.841,278 15.841,279 11.132,280 20.048,281 5.383,282 17.052,283 3.631,284 2.051,285 0.93,286 0.05,289 4.09,290 2,294 1,295 738,296 2.449,299 57.73,300 300.915,303 113.945,304 121.947,307 1.837,308 19.218,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 58.667,320 326,321 4.546,322 3.267,323 6.54,324 4.057,325 3.124,326 4.464,327 0.4,328 10.342,329 2.963,330 4.517,331 3.152,332 6.519,333 4.013,334 3.06,335 4.45,337 10.267,338 2.856,339 4.219,340 2.916,341 6.111,342 3.727,343 2.78,344 3.918,346 8.907,347 2.619,348 3.775,349 2.81,350 5.5,351 3.359,352 2.425,353 3.216,355 7.337,356 2.263,357 3.585,358 2.427,359 5.201,360 3.107,361 2.191,362 2.995,364 6.373,365 1.959,366 3.277,367 2.145,368 4.863,369 2.759,370 1.854,371 2.612,373 5.309,374 1.648,375 3.139,376 1.897,377 4.735,378 2.615,379 1.711,380 2.409,382 4.881,383 1.521,384 3.032,385 1.544,386 4.414,387 2.461,388 1.532,389 2.298,391 4.312,392 1.4,393 2.976,394 1.532,395 4.159,396 2.424,397 1.5,398 2.198,400 3.724,401 1.364,402 2.873,403 1.47,404 3.949,405 2.371,406 1.414,407 2.036,409 3.252,410 1.284,411 2.611,412 1.155,413 3.59,414 2.084,415 1.13,416 1.664,417 2.783,418 1.064,419 2.395,420 0.987,421 3.407,422 1.89,423 0.937,424 1.348,425 2.218,426 0.885,427 1.847,428 0.396,429 3.001,430 1.241,431 0.347,432 0.521,433 0.86,434 0.304,435 1.465,436 0.347,437 3,438 1.073,439 0.145,440 0.185,441 0.388,442 0.131,443 1.153,444 0.328,445 2.644,446 0.67,447 -0.193,448 -0.242,449 -0.475,450 -0.135,451 14.362,452 0.513,453 0.674,454 0.024,455 43,456 1.536,457 24.5,458 0.875,459 18.5,460 0.661,461 20.409,462 0.729,463 26.438,464 0.661,465 28.552,466 1.02,467 8.187,468 0.292,469 5.483,470 0.196,471 0.099,473 0.348,478 0.694,479 1.013,480 0.527,481 0.675,482 0.687,483 0.656,484 0.697,485 1.033,486 0.653,487 0.824,488 0.661,489 0.809,490 1.129,491 1.137,492 1.013,493 0.995,494 1.019,495 0.973,496 1.009,497 1.094,498 1.073,499 1.151,500 0.939,501 1.059,502 1.273,503 0.868,504 1.113,505 0.944,506 1.214,507 0.929,508 0.588,509 0.959,510 0.817,511 1.009,512 0.715,513 1.091,514 1.109,515 1.026,516 1.15,517 1.085,518 1.211,519 1.174,520 1.058,521 0.923,522 1.196,523 1.06,524 1.116,525 1.068,526 5.5,527 0.106,528 3.111,529 2.104,530 1.627,531 0.972,532 0.407,533 0.467,534 0.242,535 0.154,536 11095,537 35371,538 2.2,539 30,541 10,543 1,544 1,549 1.706,550 2.1,551 3.492,552 -0.323,558 67.619,559 1.69,560 3.271,561 4.391,562 5.272,563 5.322,564 5.322,565 2.959,566 4.352,567 4.781,568 3.666,569 1385.65,570 8.29,571 18271.6,576 212.877,577 1.264,578 4.757,579 0.172,580 0.005,581 0.068,582 0.046,583 0.041,584 0.028,585 0.012,586 0.016,587 0.011,588 0.007,589 0.405,590 0.33,591 0.75,592 0.444,593 141.136,594 -0.066,595 -0.06,596 0.009,597 0.032,598 -0.126,599 0.032,600 0.047,601 -0.04,602 0.013,603 -0.029,604 0.024,605 -0.062,606 -0.172,607 -0.134,608 -0.092,609 -0.052,610 -0.109,611 -0.064,612 0.071,613 -0.007,614 -0.017,615 -0.083,616 0.071,617 -0.09,618 -0.265,619 0.159,620 -0.14,621 0.055,622 -0.217,623 0.06,624 0.301,625 -0.075,626 0.024,627 -0.183,628 0.195,629 -0.172,630 -0.111,631 -0.146,632 -0.09,633 -0.1,634 -0.149,635 -0.112,636 0.109,637 -0.006,638 0.045,639 0.041,640 0.121,641 0.108,642 1.037,643 2.462,644 0.893,645 25.602,646 1.014,647 1.097,648 5.218,649 27.229,650 0.805,651 3.497,652 3.85,653 4.159,654 4.466,655 4.71,656 4.804,657 4.913,658 5.075,659 5.159,660 5.231,661 6.822,662 0.764,663 423.34,664 3.497,665 5.056,666 5.927,667 6.821,668 7.705,669 8.602,670 9.49,671 10.389,672 11.278,673 12.177,674 10,682 1,684 3,689 4,690 11,691 3,694 1,695 6,697 27,709 1,715 2,716 40,718 27,719 3,720 32,722 44,723 21,724 21,725 8,726 10,728 5,729 7,730 2,740 21,760 12,761 4,762 1,763 7,764 3,769 4,775 0.6,788 1,793 1,794 4,797 1,798 1,819 3,821 1,824 2,827 28,834 1,844 1,849 2,858 13.333,859 7.469,860 5.972,861 2.314,863 5.377,864 1.661,865 1.076,866 4.534,867 13.512,868 3.839,869 4.546,870 5.221,871 5.887,872 6.481,873 6.846,874 7.278,875 7.763,876 8.127,877 8.443,878 0.875,879 46,880 10.261,881 4.456,882 7.651,883 19.614,884 16.471,885 2.151,886 60.222,890 129.482,891 158.467,892 68.367,893 78.297,896 31.278,897 127.189,898 207.779,899 68.367,902 94.762,903 63.057,904 46.434,905 3.074,906 148.989,907 78.297,908 129.482,909 195.556,911 109.575,913 129.482,917 31.847,918 113.353,919 128.654,920 31.278,921 129.482,922 68.367,923 236.764,926 129.482,927 55.086,928 103.381,929 18.011,930 128.654,931 129.482,932 68.367,933 236.764,935 0.588,936 0.348,937 0.197,938 0.108,939 25,940 10,941 0.068,942 3,943 2,944 1.16,945 4.076,946 254.098,947 0.16,948 25,949 134.606,950 1,954 17.655,955 7.191,956 3.418,957 3.786,958 68.367,959 20.937,960 13.307,963 1.629,964 4.619,966 18.011,967 434.614,968 45.5,980 40.549,981 43.877,983 0.318,984 0.615,985 0.825,986 0.991,987 1,988 1,989 5.067,990 1.532,991 5.916,992 4.881,993 4.533,994 5.234,995 0.278,996 6.744,997 4.389,998 6.31,999 1.5,1000 7.48,1001 4.312,1002 4.111,1003 5.094,1005 7.636,1006 3.847,1007 7.637,1008 1.414,1009 9.142,1010 3.724,1011 6.142,1012 7.563,1013 0.05,1014 10.753,1015 5.886,1016 9.002,1017 1.13,1018 10.861,1019 3.252,1020 6.538,1021 8.261,1023 12.476,1024 6.172,1025 10.397,1026 0.937,1027 12.617,1028 2.783,1029 8.033,1030 10.177,1031 0.008,1032 15.092,1033 7.666,1034 11.815,1035 0.347,1036 14.399,1037 2.218,1038 8.815,1039 11.283,1041 17.158,1042 8.351,1043 13.251,1044 0.145,1045 16.2,1046 0.86,1047 10.088,1048 12.961,1049 0.001,1050 19.593,1051 9.606,1052 3.124,1053 -0.193,1054 18.014,1055 0.388,1056 11.052,1057 14.267,1059 21.805,1060 10.485,1061 3.06,1062 10.342,1063 19.84,1064 -0.475,1065 12.231,1066 15.836,1068 24.172,1069 11.632,1070 2.78,1071 10.267,1072 21.673,1073 4.464,1074 13.28,1075 17.238,1077 26.446,1078 12.606,1079 2.425,1080 8.907,1081 23.514,1082 4.45,1083 14.421,1084 18.76,1086 28.787,1087 13.705,1088 2.191,1089 7.337,1090 25.36,1091 3.918,1092 15.509,1093 20.208,1095 31.09,1096 14.725,1097 1.854,1098 6.373,1099 27.21,1100 3.216,1101 16.637,1102 21.71,1104 33.422,1105 15.804,1106 1.711,1107 5.309,1108 29.063,1109 2.995,1110 17.743,1111 23.179,1113 35.738,1114 16.847,1115 10083,1116 18168,1117 22.076,1118 32.193,1119 48.702,1120 49.118,1121 49.479,1122 48.637,1123 48.303,1124 68.627,1125 0.8,1126 141.904,1127 44.521,1128 5.317,1129 5.267,1130 6.223,1131 5.166,1132 5.124,1133 7.464,1134 0.8,1135 17.313,1136 4.963,1137 9.703,1138 1.522,1139 1.535,1140 1.546,1141 1.52,1142 1.509,1143 2.145,1144 0.025,1145 4.435,1146 1.391,1147 4.101,1148 4.123,1149 4.34,1150 4.083,1151 5.118,1152 4.045,1153 4.035,1154 4.057,1155 4.097,1156 3.97,1157 5.012,1158 3.969,1159 3.846,1160 3.869,1161 3.952,1162 3.8,1163 4.854,1164 3.792,1165 3.427,1166 3.474,1167 3.645,1168 3.306,1169 4.764,1170 3.298,1171 3.288,1172 3.326,1173 3.445,1174 3.23,1175 4.375,1176 3.193,1177 3.05,1178 3.111,1179 3.325,1180 2.901,1181 4.273,1182 2.904,1183 2.884,1184 2.939,1185 3.024,1186 2.802,1187 4.116,1188 2.773,1189 2.879,1190 2.922,1191 2.934,1192 2.792,1193 4.021,1194 2.768,1195 0.142,1196 0.102,1197 0.204,1198 0.127,1199 0.098,1200 4.546,1201 0.14,1202 3.267,1203 0.013,1204 6.54,1205 0.323,1206 4.057,1207 0.093,1208 3.124,1209 4.464,1210 0.4,1211 10.342,1212 2.963,1213 2.01,1214 1.986,1215 2.06,1216 2.116,1217 1.181,1218 2.104,1219 1.899,1220 1.883,1221 1.982,1222 1.97,1223 1.111,1224 1.981,1225 1.885,1226 1.866,1227 1.938,1228 1.938,1229 1.08,1230 1.955,1231 1.362,1232 1.325,1233 1.45,1234 1.536,1235 0.501,1236 1.529,1237 1.235,1238 1.214,1239 1.267,1240 1.36,1241 0.386,1242 1.367,1243 0.995,1244 0.944,1245 1.178,1246 1.18,1247 0.236,1248 1.187,1249 0.917,1250 0.884,1251 1.104,1252 1.021,1253 0.184,1254 1.062,1255 0.868,1256 0.824,1257 1.046,1258 1.003,1259 0.175,1260 1.051,1261 4.174,1263 5.517,1264 2.398,1265 7.059,1266 4.727,1267 8.69,1268 6.843,1269 10.366,1272 12.627,1278 3.317,1289 30.562,1290 67.619,1291 130.849,1292 175.658,1293 210.877,1294 212.877,1295 212.877,1296 33.705,1297 8.135,1298 50.7,1299 78.94,1300 29,1301 12.702,1302 4.807,1303 3.858,1304 37.86,1305 117,1306 104,1307 0.159,1308 195.088,1309 316.81,1310 467.774,1311 42787,1312 5,1313 19.087,1314 0.682,1315 0.596,1316 20.441,1317 16.685,1318 13.67,1319 0.427,1320 0.315,1321 8.568,1322 12.371,1323 8.255,1324 6.787,1325 14.655,1326 10.073,1327 12.625,1328 0.274,1329 0.175,1330 14.046,1331 8.064,1332 10.922,1333 0.173,1334 0.095,1335 12.322,1336 5.972,1337 9.626,1338 0.112,1339 0.053,1340 11.227,1341 4.518,1342 7.874,1343 0.072,1344 0.028,1345 9.151,1346 3.061,1347 0.253,1348 94.177,1349 0.213,1350 26.86,1351 0.429,1352 156,1353 436.535,1354 220.878,1355 517.28,1356 705.14,1357 484,1358 187,1359 473.468,1360 240.291,1361 519.898,1362 767.37,1363 491,1364 6.097}
{0 CHEMBL514941,1 1.655,2 12.563,3 5.783,4 33.445,5 128.388,6 8.369,7 0.75,8 4.097,9 4.199,10 3.81,11 3.691,12 5.25,13 3.669,14 4.585,15 4.733,16 4.196,17 4.063,18 5.7,19 4.027,20 4.715,21 4.87,22 4.264,23 4.168,24 5.823,25 4.117,26 4.789,27 4.963,28 4.19,29 4.167,30 5.867,31 4.094,32 4.805,33 4.996,34 4.074,35 4.13,36 5.832,37 4.057,38 4.773,39 4.964,40 4.04,41 4.121,42 5.811,43 4.042,44 4.853,45 5.087,46 3.923,47 4.08,48 5.81,49 3.972,50 4.739,51 4.973,52 3.794,53 3.914,54 5.683,55 3.806,56 0.045,57 0.795,58 9.333,59 4.629,60 7.492,61 5.308,62 0.323,63 1.284,64 19.449,65 7.815,66 24.049,67 8.888,68 0.291,69 1.464,70 22.169,71 8.981,72 23.911,73 10.409,74 0.367,75 1.593,76 27.075,77 9.842,78 31.34,79 11.102,80 0.478,81 1.518,82 27.415,83 10.012,84 33.41,85 11.938,86 0.362,87 1.486,88 22.486,89 9.247,90 28.185,91 12.149,92 0.361,93 1.563,94 28.728,95 10.665,96 36.754,97 13.837,98 0.4,99 1.365,100 26.513,101 9.366,102 36.919,103 11.754,104 19,105 51,106 0.269,107 0.596,108 0.732,109 0.828,110 0.84,111 0.846,112 3.502,113 0.904,114 -4.75,115 -4.66,116 -4.38,118 45.3,123 3,138 10,139 2,140 3,142 2,143 1,146 1,148 1,156 1,167 8,170 1,171 8,173 3,175 3,178 9,181 1,182 9,186 3,188 8,191 1,192 7,195 1,196 1,197 4,199 7,203 2,204 2,206 1,208 1,211 10,214 1,215 3,218 3,220 3,223 13,228 4,231 1,233 2,235 7,239 1,240 7,245 3,247 2,252 4,257 2,260 1,264 1738,265 22.315,266 22.315,267 22.315,268 22.315,269 22.315,270 19.285,271 23.044,272 12.953,273 23.138,274 17.628,275 17.628,276 17.628,277 17.628,278 17.628,279 12.82,280 37.94,281 5.945,282 18.814,283 4.073,284 2.07,285 1.236,286 0.647,287 0.571,288 0.533,289 4.214,294 1,295 890,296 3.082,299 69.975,300 354.444,303 137.086,304 143.694,307 1.867,308 21.115,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 68.5,320 402,321 4.602,322 3.302,323 6.608,324 4.123,325 3.162,326 4.545,327 0.86,328 10.632,329 3.04,330 4.508,331 3.066,332 6.372,333 3.981,334 3.059,335 4.437,336 0.86,337 9.883,338 2.824,339 4.093,340 2.99,341 6.054,342 3.67,343 2.725,344 3.711,345 0.4,346 8.727,347 2.594,348 4.014,349 2.684,350 5.907,351 3.579,352 2.621,353 3.545,354 0.4,355 8.253,356 2.475,357 3.689,358 2.46,359 5.435,360 3.294,361 2.348,362 3.085,364 7.143,365 2.218,366 3.534,367 2.32,368 5.261,369 3.105,370 2.172,371 2.905,373 6.57,374 2.015,375 3.374,376 2.216,377 5.066,378 2.887,379 1.942,380 2.742,382 5.926,383 1.829,384 3.032,385 1.916,386 4.451,387 2.519,388 1.577,389 2.298,391 4.312,392 1.494,393 3.02,394 1.534,395 4.414,396 2.458,397 1.532,398 2.266,400 4.28,401 1.397,402 2.818,403 1.532,404 4.279,405 2.421,406 1.491,407 1.913,409 3.854,410 1.37,411 2.637,412 1.209,413 3.595,414 2.102,415 1.168,416 1.7,417 2.836,418 1.074,419 2.5,420 1.101,421 3.551,422 2,423 1,424 1.5,425 2.275,426 1,427 2.012,428 1,429 3.414,430 1.699,431 0.804,432 0.938,433 1.77,434 0.714,435 1.847,436 0.984,437 3,438 1.319,439 0.423,440 0.521,441 0.86,442 0.377,443 1.578,444 0.706,445 2.96,446 1.24,447 0.362,448 0.472,449 0.634,450 0.308,451 15.5,452 0.484,453 0.666,454 0.021,455 47.5,456 1.484,457 26,458 0.813,459 21.5,460 0.672,461 24.085,462 0.753,463 32.5,464 0.613,465 35.726,466 1.116,467 9.447,468 0.295,469 6.231,470 0.195,471 0.097,473 0.355,478 0.935,479 1.203,480 0.705,481 0.926,482 0.92,483 0.841,484 1.205,485 0.849,486 0.779,487 0.742,488 1,489 0.705,490 0.993,491 1.183,492 0.909,493 0.955,494 0.903,495 0.895,496 1.154,497 1.105,498 1.273,499 1.138,500 1.186,501 1.058,502 1.168,503 0.976,504 1.087,505 0.959,506 1.101,507 0.984,508 0.694,509 1.062,510 0.837,511 1.001,512 0.833,513 1.124,514 0.929,515 0.999,516 0.924,517 0.951,518 1.022,519 1.051,520 1.31,521 0.909,522 0.958,523 0.9,524 1.205,525 1.023,526 6.5,527 0.16,528 3.333,529 2.042,530 2.258,531 1.191,532 0.66,533 0.565,534 0.279,535 0.2,536 15255,537 41505,538 2.154,539 39.6,541 19,544 2,549 1.743,550 2.043,551 3.597,552 0.208,558 87.692,559 1.655,560 3.658,561 4.492,562 5.081,563 5.157,564 5.195,565 3.058,566 4.414,567 4.972,568 3.787,569 1878.25,570 8.689,571 27569.1,576 303.58,577 1.317,578 4.943,579 0.181,580 0.006,581 0.065,582 0.038,583 0.046,584 0.026,585 0.015,586 0.015,587 0.009,588 0.007,589 0.408,590 0.17,591 0.88,592 0.797,593 168.65,594 -0.065,595 -0.133,596 0.066,597 -0.015,598 -0.123,599 0.015,600 -0.023,601 0.205,602 0.148,603 0.217,604 0.027,605 0.187,606 0.011,607 -0.121,608 0.036,609 0.013,610 0.064,611 0.009,612 -0.102,613 -0.009,614 -0.211,615 -0.126,616 -0.145,617 -0.148,618 -0.046,619 0.033,620 -0.151,621 -0.015,622 -0.062,623 -0.046,624 0.131,625 -0.076,626 -0.091,627 -0.152,628 0.03,629 -0.188,630 -0.043,631 -0.04,632 -0.049,633 -0.05,634 -0.065,635 -0.06,636 -0.152,637 0.035,638 -0.037,639 0.013,640 -0.122,641 -0.037,642 1.154,643 1.966,644 0.781,645 34.082,646 1.006,647 1.116,648 3.517,649 12.366,650 0.711,651 3.611,652 3.951,653 4.277,654 4.575,655 4.86,656 4.99,657 5.13,658 5.273,659 5.366,660 5.394,661 7.449,662 0.678,663 443.57,664 3.611,665 5.165,666 6.038,667 6.93,668 7.82,669 8.719,670 9.614,671 10.515,672 11.412,673 12.313,674 9.4,679 1,682 1,684 3,689 4,690 10,691 3,694 1,695 7,697 27,709 2,714 2,716 53,718 27,719 3,720 36,722 57,723 24,724 21,725 8,726 10,728 5,729 7,740 21,741 3,760 21,761 7,762 2,763 8,764 1,769 5,775 0.6,776 2,788 1,793 1,794 4,797 1,798 1,819 3,821 1,823 3,827 32,834 2,835 2,844 1,850 3.8,855 2,858 15.667,859 10.683,860 7.139,861 2.939,863 5.432,864 1.642,865 1.031,866 5.704,867 13.896,868 3.922,869 4.608,870 5.291,871 5.956,872 6.585,873 6.99,874 7.439,875 7.904,876 8.272,877 8.552,878 1,879 54,880 11.74,881 4.947,882 7.599,883 22.518,884 18.306,885 2.099,886 67.167,890 223.651,891 185.395,892 86.378,894 22,896 31.278,897 154.118,898 245.651,899 86.378,900 30.162,902 94.762,903 69.297,904 63.301,905 4.973,906 254.929,908 223.651,909 240.496,910 22,911 31.278,913 223.651,914 22,917 25.128,918 147.001,919 68.367,920 31.278,921 223.651,922 108.378,923 185.395,926 223.651,927 60.47,928 124.925,929 36.022,930 72.356,931 223.651,932 108.378,933 185.395,935 0.577,936 0.355,937 0.199,938 0.115,939 26,940 11,941 0.105,942 6,943 2,944 1.16,945 4.341,946 303.145,947 0.16,948 25,949 156,950 1,954 20.767,955 8.789,956 4.059,957 3.778,958 108.378,959 20.067,960 13.904,963 1.688,964 5.408,966 36.022,967 517.424,968 49.5,980 53.309,981 59.152,983 0.289,984 0.639,985 0.784,986 0.887,987 0.9,988 0.907,989 5.152,990 1.577,991 6.023,992 5.926,993 4.635,994 5.296,995 1.526,996 6.855,997 4.513,998 6.385,999 1.532,1000 7.591,1001 4.312,1002 4.205,1003 5.173,1005 7.758,1006 4.026,1007 7.713,1008 1.491,1009 9.254,1010 4.28,1011 6.252,1012 7.62,1013 1.191,1014 10.859,1015 6.024,1016 9.08,1017 1.168,1018 10.972,1019 3.854,1020 6.648,1021 8.332,1023 12.564,1024 6.35,1025 10.476,1026 1,1027 12.725,1028 2.836,1029 8.139,1030 10.231,1031 0.969,1032 15.169,1033 7.809,1034 11.895,1035 0.804,1036 14.501,1037 2.275,1038 8.918,1039 11.343,1041 17.215,1042 8.515,1043 13.33,1044 0.423,1045 16.294,1046 1.77,1047 10.186,1048 13.012,1049 0.788,1050 19.644,1051 9.752,1052 3.162,1053 0.362,1054 18.1,1055 0.86,1056 11.148,1057 14.324,1059 21.845,1060 10.646,1061 3.059,1062 10.632,1063 19.915,1064 0.634,1065 12.325,1066 15.894,1067 0.634,1068 24.21,1069 11.787,1070 2.725,1071 9.883,1072 21.739,1073 4.545,1074 13.374,1075 17.304,1077 26.483,1078 12.775,1079 2.621,1080 8.727,1081 23.568,1082 4.437,1083 14.516,1084 18.831,1085 0.504,1086 28.828,1087 13.878,1088 2.348,1089 8.253,1090 25.404,1091 3.711,1092 15.607,1093 20.288,1095 31.135,1096 14.914,1097 2.172,1098 7.143,1099 27.243,1100 3.545,1101 16.738,1102 21.798,1103 0.395,1104 33.475,1105 16.004,1106 1.942,1107 6.57,1108 29.087,1109 3.085,1110 17.849,1111 23.279,1113 35.8,1114 17.066,1115 14141,1116 23494,1117 24.561,1118 37.676,1119 53.523,1120 54.6,1121 55.766,1122 53.537,1123 53.664,1124 74.197,1125 5.04,1126 157.39,1127 50.248,1128 5.379,1129 5.302,1130 6.29,1131 5.231,1132 5.162,1133 7.545,1134 1.72,1135 17.667,1136 5.04,1137 13.38,1138 1.487,1139 1.517,1140 1.549,1141 1.487,1142 1.491,1143 2.061,1144 0.14,1145 4.372,1146 1.396,1147 4.108,1148 4.132,1149 4.33,1150 4.08,1151 5.103,1152 4.043,1153 4.042,1154 4.061,1155 4.053,1156 3.964,1157 4.982,1158 3.971,1159 3.843,1160 3.871,1161 3.79,1162 3.786,1163 4.785,1164 3.781,1165 3.562,1166 3.617,1167 3.507,1168 3.332,1169 4.69,1170 3.364,1171 3.339,1172 3.409,1173 3.434,1174 3.262,1175 4.498,1176 3.216,1177 3.275,1178 3.326,1179 3.159,1180 3.056,1181 4.281,1182 3.062,1183 3.249,1184 3.314,1185 3.062,1186 2.96,1187 4.217,1188 2.969,1189 3.066,1190 3.147,1191 2.952,1192 2.853,1193 4.082,1194 2.849,1195 0.128,1196 0.092,1197 0.184,1198 0.115,1199 0.088,1200 4.602,1201 0.126,1202 3.302,1203 0.024,1204 6.608,1205 0.295,1206 4.123,1207 0.084,1208 3.162,1209 4.545,1210 0.86,1211 10.632,1212 3.04,1213 2.008,1214 1.986,1215 2.059,1216 2.132,1217 1.188,1218 2.11,1219 1.899,1220 1.883,1221 1.987,1222 1.978,1223 1.112,1224 1.984,1225 1.89,1226 1.866,1227 1.968,1228 1.951,1229 1.082,1230 1.971,1231 1.459,1232 1.405,1233 1.694,1234 1.739,1235 0.697,1236 1.723,1237 1.295,1238 1.257,1239 1.583,1240 1.557,1241 0.594,1242 1.567,1243 1.22,1244 1.159,1245 1.576,1246 1.524,1247 0.575,1248 1.54,1249 1.192,1250 1.117,1251 1.328,1252 1.387,1253 0.478,1254 1.399,1255 1.033,1256 0.954,1257 1.217,1258 1.25,1259 0.325,1260 1.267,1261 4.29,1263 5.624,1264 2.398,1265 7.163,1266 4.727,1267 8.794,1268 6.843,1269 10.474,1271 5.009,1278 6.425,1279 10.888,1289 35.938,1290 87.692,1291 193.857,1292 238.096,1293 269.315,1294 273.315,1295 275.315,1296 38.951,1297 8.464,1298 81.19,1299 109.43,1300 29,1301 12.835,1302 4.807,1303 3.858,1304 45.838,1305 144,1306 132,1307 0.154,1308 221.986,1309 366.87,1310 533.405,1311 63318,1313 22.079,1314 0.69,1315 0.583,1316 22.432,1317 18.656,1318 15.678,1319 0.435,1320 0.301,1321 9.93,1322 14.605,1323 9.548,1324 7.978,1325 16.086,1326 10.845,1327 13.79,1328 0.27,1329 0.159,1330 14.433,1331 8.09,1332 12.428,1333 0.175,1334 0.087,1335 13.249,1336 6.199,1337 10.558,1338 0.11,1339 0.046,1340 11.456,1341 4.462,1342 9.012,1343 0.07,1344 0.025,1345 9.777,1346 3.147,1347 0.245,1348 102.57,1349 0.202,1350 29.994,1351 0.416,1352 174,1353 505.933,1354 215.761,1355 511.073,1356 720.83,1357 484,1358 209,1359 532.946,1360 248.911,1361 559.575,1362 824.73,1363 525,1364 5}
{0 CHEMBL514942,1 1.624,2 12.419,3 5.94,4 35.28,5 123.322,6 8.403,7 0.771,8 4.056,9 4.151,10 3.777,11 3.678,12 5.209,13 3.651,14 4.546,15 4.687,16 4.167,17 4.056,18 5.645,19 4.016,20 4.674,21 4.811,22 4.243,23 4.174,24 5.783,25 4.116,26 4.795,27 4.971,28 4.152,29 4.182,30 5.84,31 4.092,32 4.815,33 5.019,34 4.057,35 4.132,36 5.812,37 4.037,38 4.737,39 4.931,40 3.987,41 4.102,42 5.763,43 4.01,44 4.764,45 4.985,46 3.834,47 4.053,48 5.712,49 3.933,50 4.665,51 4.912,52 3.722,53 3.87,54 5.58,55 3.745,56 0.026,57 0.725,58 8.76,59 4.526,60 7.538,61 5.183,62 0.253,63 1.189,64 18.523,65 7.687,66 21.076,67 8.643,68 0.23,69 1.364,70 20.164,71 8.83,72 20.015,73 10.079,74 0.312,75 1.563,76 27.28,77 10.365,78 28.468,79 11.732,80 0.438,81 1.495,82 28.302,83 10.874,84 35.025,85 13.205,86 0.357,87 1.442,88 25.353,89 9.64,90 30.669,91 11.852,92 0.233,93 1.441,94 25.043,95 10.057,96 29.485,97 12.862,98 0.272,99 1.298,100 24.804,101 9.241,102 31.158,103 12.045,104 14,105 50,106 0.266,107 0.599,108 0.748,109 0.846,110 0.859,111 0.865,112 3.472,113 0.907,114 -5.1,115 -5,116 -4.68,118 47.1,119 1,123 2,138 9,139 3,140 3,142 2,143 1,144 1,148 1,156 1,167 9,170 1,171 8,173 1,175 3,178 10,181 1,182 9,186 4,188 10,191 1,192 7,195 1,197 2,199 8,203 2,204 4,206 1,211 12,214 1,215 3,218 2,220 1,223 14,228 5,235 10,239 1,240 8,245 2,247 4,252 5,257 2,260 1,264 1551,265 21.497,266 21.497,267 21.497,268 21.497,269 21.497,270 18.387,271 17.313,272 12.456,273 22.245,274 17.178,275 17.178,276 17.178,277 17.178,278 17.178,279 12.369,280 24.65,281 5.753,282 18.252,283 4.049,284 2.02,285 1.114,286 0.515,287 0.437,288 0.397,289 4.184,294 1,295 857,296 2.915,299 67.225,300 341.61,303 132.013,304 137.135,307 1.954,308 19.874,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 66,320 385,321 4.578,322 3.292,323 6.589,324 4.106,325 3.142,326 4.514,327 0.86,328 10.542,329 3.031,330 4.516,331 3.12,332 6.39,333 4.006,334 3.073,335 4.441,336 0.86,337 9.939,338 2.893,339 4.233,340 2.992,341 6.114,342 3.795,343 2.832,344 3.91,345 0.4,346 8.945,347 2.702,348 3.981,349 2.807,350 6.013,351 3.561,352 2.621,353 3.489,355 8.544,356 2.451,357 3.754,358 2.447,359 5.805,360 3.357,361 2.392,362 3.177,364 7.858,365 2.298,366 3.418,367 2.238,368 5.176,369 2.943,370 2,371 2.801,373 6.134,374 1.882,375 3.036,376 2.033,377 4.542,378 2.568,379 1.639,380 2.298,382 4.554,383 1.522,384 3.032,385 1.576,386 4.414,387 2.496,388 1.532,389 2.282,391 4.312,392 1.48,393 2.997,394 1.533,395 4.337,396 2.452,397 1.519,398 2.223,400 3.95,401 1.393,402 2.833,403 1.532,404 4.102,405 2.389,406 1.417,407 1.966,409 3.564,410 1.372,411 2.702,412 1.468,413 3.883,414 2.239,415 1.339,416 1.776,417 3.078,418 1.197,419 2.63,420 1.188,421 3.592,422 2.101,423 1.167,424 1.684,425 2.834,426 1.073,427 1.905,428 1,429 3.243,430 1.569,431 0.666,432 0.801,433 1.437,434 0.596,435 1.847,436 0.92,437 3,438 1.242,439 0.375,440 0.521,441 0.86,442 0.315,443 1.55,444 0.452,445 2.914,446 1.224,447 0.347,448 0.412,449 0.569,450 0.304,451 15.1,452 0.487,453 0.687,454 0.022,455 46,456 1.484,457 25.5,458 0.823,459 20.5,460 0.661,461 23.846,462 0.769,463 31.1,464 0.61,465 33.572,466 1.083,467 9.066,468 0.292,469 6.091,470 0.196,471 0.099,473 0.364,478 0.884,479 1.151,480 0.694,481 0.914,482 0.87,483 0.836,484 1.247,485 0.873,486 0.768,487 0.731,488 1.034,489 0.686,490 0.935,491 1.216,492 0.94,493 1.019,494 0.826,495 0.969,496 1.098,497 1.118,498 1.275,499 1.162,500 1.095,501 1.102,502 1.021,503 0.937,504 0.972,505 0.911,506 0.976,507 0.95,508 0.832,509 0.978,510 1.092,511 1.048,512 0.997,513 1.067,514 0.865,515 1.07,516 0.985,517 1.03,518 1.057,519 1.153,520 0.888,521 0.914,522 0.854,523 0.916,524 0.985,525 1.008,526 6,527 0.16,528 3.778,529 1.917,530 2.378,531 1.045,532 0.636,533 0.577,534 0.322,535 0.164,536 14074,537 38100,538 2.16,539 39.2,540 3,541 15,543 1,544 1,549 1.734,550 2.044,551 3.592,552 -0.361,558 82.816,559 1.624,560 3.652,561 4.559,562 5.157,563 5.236,564 5.275,565 3.087,566 4.478,567 4.926,568 3.767,569 1751.46,570 8.591,571 24906.6,576 289.294,577 1.332,578 4.896,579 0.171,580 0.006,581 0.076,582 0.036,583 0.051,584 0.024,585 0.015,586 0.016,587 0.011,588 0.006,589 0.413,590 0.17,591 0.88,592 0.741,593 161.575,594 -0.037,595 -0.124,596 0.07,597 -0.018,598 -0.084,599 0.011,600 -0.074,601 0.154,602 0.155,603 0.225,604 -0.019,605 0.206,606 0.038,607 -0.174,608 -0.017,609 -0.062,610 0.071,611 -0.08,612 -0.096,613 -0.05,614 -0.22,615 -0.154,616 -0.133,617 -0.176,618 0.046,619 0.036,620 -0.016,621 0.05,622 0.056,623 0.028,624 0.027,625 0.039,626 -0.17,627 -0.105,628 -0.052,629 -0.115,630 -0.1,631 -0.102,632 -0.138,633 -0.131,634 -0.169,635 -0.167,636 -0.001,637 0.043,638 0.068,639 0.012,640 -0.002,641 0.014,642 1.032,643 1.949,644 0.806,645 31.003,646 1.004,647 1.111,648 3.87,649 14.975,650 0.719,651 3.584,652 3.932,653 4.263,654 4.554,655 4.828,656 4.934,657 5.069,658 5.215,659 5.323,660 5.371,661 7.283,662 0.685,663 428.55,664 3.584,665 5.142,666 6.019,667 6.913,668 7.805,669 8.703,670 9.6,671 10.499,672 11.397,673 12.297,674 7.8,682 1,684 3,689 4,690 10,691 3,694 1,695 7,697 27,709 1,714 2,716 51,718 27,719 3,720 35,722 55,723 24,724 21,725 9,726 9,728 5,729 7,732 1,740 21,741 3,760 20,761 6,762 1,763 7,764 1,769 4,775 0.6,776 2,788 1,793 1,794 4,797 1,798 1,819 3,821 1,823 3,827 31,834 1,835 2,844 1,850 3.9,855 2,858 15.167,859 10.433,860 6.833,861 2.861,863 5.405,864 1.644,865 1.033,866 5.264,867 13.792,868 3.902,869 4.598,870 5.284,871 5.939,872 6.559,873 6.943,874 7.392,875 7.862,876 8.244,877 8.548,878 1,879 53,880 11.377,881 4.813,882 7.586,883 21.885,884 17.938,885 2.086,886 64.667,890 223.651,891 186.253,892 68.367,894 22,896 31.278,897 154.975,898 245.651,899 68.367,900 30.591,902 85.286,903 63.057,904 75.105,905 3.074,906 243.158,908 223.651,909 223.343,910 22,911 31.278,913 223.651,914 22,917 40.672,918 132.314,919 50.357,920 31.278,921 223.651,922 90.367,923 186.253,926 223.651,927 61.757,928 124.496,929 18.011,930 72.356,931 223.651,932 90.367,933 186.253,935 0.582,936 0.359,937 0.201,938 0.113,939 26,940 11,941 0.091,942 5,943 2,944 1.16,945 4.256,946 291.906,947 0.16,948 25,949 151.58,950 1,954 19.86,955 8.217,956 3.734,957 3.849,958 90.367,959 19.773,960 13.591,963 1.7,964 6.167,966 18.011,967 500.271,968 48.5,980 51.207,981 56.654,983 0.286,984 0.644,985 0.804,986 0.909,987 0.923,988 0.93,989 5.134,990 1.532,991 6.009,992 4.554,993 4.615,994 5.286,995 1.454,996 6.849,997 4.503,998 6.374,999 1.519,1000 7.584,1001 4.312,1002 4.205,1003 5.173,1005 7.774,1006 4.054,1007 7.705,1008 1.417,1009 9.257,1010 3.95,1011 6.24,1012 7.618,1013 1.175,1014 10.88,1015 6.037,1016 9.075,1017 1.339,1018 10.985,1019 3.564,1020 6.661,1021 8.343,1023 12.604,1024 6.406,1025 10.476,1026 1.167,1027 12.749,1028 3.078,1029 8.146,1030 10.238,1031 0.966,1032 15.207,1033 7.854,1034 11.899,1035 0.666,1036 14.535,1037 2.834,1038 8.944,1039 11.359,1041 17.258,1042 8.595,1043 13.339,1044 0.375,1045 16.337,1046 1.437,1047 10.208,1048 13.024,1049 0.788,1050 19.682,1051 9.826,1052 3.142,1053 0.347,1054 18.15,1055 0.86,1056 11.18,1057 14.337,1059 21.878,1060 10.743,1061 3.073,1062 10.542,1063 19.971,1064 0.569,1065 12.354,1066 15.901,1067 0.634,1068 24.234,1069 11.882,1070 2.832,1071 9.939,1072 21.799,1073 4.514,1074 13.406,1075 17.307,1077 26.497,1078 12.883,1079 2.621,1080 8.945,1081 23.633,1082 4.441,1083 14.546,1084 18.828,1085 0.504,1086 28.831,1087 13.985,1088 2.392,1089 8.544,1090 25.47,1091 3.91,1092 15.635,1093 20.28,1095 31.127,1096 15.026,1097 2,1098 7.858,1099 27.311,1100 3.489,1101 16.762,1102 21.784,1103 0.395,1104 33.455,1105 16.115,1106 1.639,1107 6.134,1108 29.155,1109 3.177,1110 17.87,1111 23.257,1113 35.769,1114 17.178,1115 12994,1116 21541,1117 23.868,1118 36.671,1119 52.643,1120 53.392,1121 54.512,1122 52.453,1123 52.599,1124 73.177,1125 4.24,1126 155.217,1127 49.463,1128 5.355,1129 5.292,1130 6.272,1131 5.214,1132 5.142,1133 7.514,1134 1.72,1135 17.5,1136 5.031,1137 12.859,1138 1.504,1139 1.525,1140 1.557,1141 1.499,1142 1.503,1143 2.091,1144 0.121,1145 4.435,1146 1.413,1147 4.108,1148 4.131,1149 4.331,1150 4.084,1151 5.108,1152 4.048,1153 4.039,1154 4.058,1155 4.045,1156 3.962,1157 4.982,1158 3.968,1159 3.866,1160 3.893,1161 3.82,1162 3.813,1163 4.781,1164 3.807,1165 3.507,1166 3.544,1167 3.468,1168 3.314,1169 4.68,1170 3.324,1171 3.326,1172 3.368,1173 3.424,1174 3.251,1175 4.498,1176 3.226,1177 3.252,1178 3.317,1179 3.083,1180 2.995,1181 4.277,1182 2.986,1183 3.133,1184 3.219,1185 2.973,1186 2.972,1187 4.093,1188 2.964,1189 3.087,1190 3.173,1191 2.934,1192 2.853,1193 4.023,1194 2.849,1195 0.131,1196 0.094,1197 0.188,1198 0.117,1199 0.09,1200 4.578,1201 0.129,1202 3.292,1203 0.025,1204 6.589,1205 0.301,1206 4.106,1207 0.087,1208 3.142,1209 4.514,1210 0.86,1211 10.542,1212 3.031,1213 2.009,1214 1.988,1215 2.067,1216 2.127,1217 1.202,1218 2.109,1219 1.912,1220 1.894,1221 1.999,1222 1.992,1223 1.142,1224 1.997,1225 1.898,1226 1.877,1227 1.977,1228 1.957,1229 1.097,1230 1.977,1231 1.403,1232 1.368,1233 1.609,1234 1.666,1235 0.647,1236 1.642,1237 1.309,1238 1.279,1239 1.576,1240 1.525,1241 0.601,1242 1.54,1243 1.195,1244 1.121,1245 1.55,1246 1.456,1247 0.575,1248 1.497,1249 1.138,1250 1.07,1251 1.366,1252 1.359,1253 0.445,1254 1.381,1255 1.069,1256 0.98,1257 1.252,1258 1.297,1259 0.339,1260 1.313,1261 4.263,1263 5.602,1264 2.398,1265 7.148,1266 4.727,1267 8.785,1268 6.843,1269 10.468,1271 5.304,1278 3.445,1279 10.837,1289 34.917,1290 82.816,1291 186.261,1292 232.5,1293 263.029,1294 267.029,1295 269.029,1296 37.703,1297 8.387,1298 69.16,1299 97.4,1300 29,1301 12.819,1302 4.807,1303 3.858,1304 43.8,1305 137,1306 120,1307 0.156,1308 215.191,1309 355.87,1310 516.827,1311 57790,1313 21.372,1314 0.689,1315 0.586,1316 21.725,1317 18.156,1318 15.157,1319 0.433,1320 0.302,1321 9.688,1322 14.155,1323 9.285,1324 7.753,1325 15.565,1326 10.58,1327 13.505,1328 0.27,1329 0.162,1330 14.148,1331 8.119,1332 12.194,1333 0.174,1334 0.089,1335 13.015,1336 6.246,1337 10.38,1338 0.11,1339 0.048,1340 11.268,1341 4.505,1342 8.784,1343 0.071,1344 0.026,1345 9.585,1346 3.185,1347 0.248,1348 98.977,1349 0.205,1350 29.199,1351 0.421,1352 170,1353 487.6,1354 209.596,1355 494.392,1356 696.23,1357 468,1358 205,1359 511.834,1360 243.079,1361 540.455,1362 794.64,1363 506,1364 5}
{0 CHEMBL517720,1 1.795,2 12.03,3 3.496,4 12.223,5 122.61,6 8.684,7 0.486,8 4.141,9 4.247,10 3.831,11 3.62,12 5.306,13 3.65,14 4.669,15 4.81,16 4.215,17 4.006,18 5.875,19 4.019,20 4.858,21 5.036,22 4.261,23 4.139,24 5.978,25 4.113,26 4.882,27 5.07,28 4.233,29 4.142,30 5.98,31 4.09,32 4.915,33 5.133,34 4.271,35 4.133,36 6.029,37 4.085,38 4.874,39 5.069,40 4.198,41 4.098,42 5.997,43 4.063,44 4.879,45 5.084,46 4.169,47 4.009,48 6.115,49 3.983,50 4.82,51 5.057,52 3.947,53 3.874,54 5.977,55 3.832,56 0.186,57 0.838,58 8.717,59 4.321,60 14.114,61 4.928,62 0.675,63 1.293,64 18.992,65 7.451,66 44.968,67 8.507,68 0.735,69 1.507,70 26.448,71 8.919,72 47.427,73 11.017,74 0.715,75 1.521,76 28.974,77 10.173,78 52.972,79 12.865,80 0.828,81 1.546,82 31.018,83 9.955,84 55.756,85 13.393,86 0.713,87 1.496,88 29.737,89 9.497,90 56.01,91 12.044,92 0.93,93 1.467,94 29.067,95 8.56,96 87.959,97 11.197,98 0.972,99 1.326,100 30.015,101 8.105,102 86.69,103 10.869,104 11,105 52,106 0.295,107 0.662,108 0.807,109 0.866,110 0.872,111 0.872,112 3.532,113 0.865,114 -2.88,115 -2.89,116 -2.79,118 40.7,124 4,125 1,138 6,139 1,140 6,141 1,143 1,146 1,153 1,158 1,159 1,160 1,167 3,170 2,171 6,172 1,173 4,175 4,178 4,180 1,181 1,182 5,184 1,186 5,188 2,190 2,192 7,195 3,196 1,197 3,203 2,204 9,205 1,206 2,207 1,208 1,210 1,211 2,213 1,214 3,215 5,220 2,223 3,227 3,228 3,230 2,231 4,233 3,235 1,239 2,240 2,242 1,243 3,245 2,247 1,251 2,252 3,255 1,256 1,257 1,259 1,260 4,262 1,264 1877,265 22.532,266 22.532,267 22.532,268 22.532,269 22.532,270 20.188,271 37.019,272 13.334,273 23.274,274 18.321,275 18.321,276 18.321,277 18.321,278 18.321,279 14.662,280 60.954,281 6.386,282 19.584,283 3.96,284 1.725,285 0.843,286 0.481,287 0.444,288 0.444,289 4.241,290 1,293 1,294 1,295 879,296 3.162,299 74.965,300 409.593,303 138.692,307 1.789,308 37.627,311 1,312 0.67,313 1,314 0.8,316 1,317 1,318 0.78,319 73.333,320 397,321 4.489,322 3.513,323 6.684,324 4.083,325 3.145,326 4.173,327 1.392,328 10.781,329 2.933,330 4.334,331 3.486,332 6.26,333 3.974,334 3.002,335 3.961,336 0.98,337 9.514,338 2.926,339 4.062,340 3.131,341 5.864,342 3.621,343 2.7,344 3.656,345 0.86,346 8.128,347 2.502,348 3.819,349 2.945,350 5.709,351 3.563,352 2.593,353 3.086,354 0.8,355 7.889,356 2.485,357 3.645,358 2.839,359 5.578,360 3.298,361 2.371,362 2.953,363 0.532,364 7.283,365 2.205,366 3.544,367 2.558,368 5.247,369 3.152,370 2.222,371 2.818,372 0.4,373 6.563,374 2.016,375 3.253,376 2.313,377 4.84,378 2.846,379 1.919,380 2.491,381 0.4,382 5.461,383 1.756,384 3.043,385 2.142,386 4.614,387 2.654,388 1.728,389 2.24,391 4.639,392 1.586,393 2.909,394 2.007,395 4.387,396 2.587,397 1.648,398 1.968,400 4.307,401 1.537,402 2.671,403 1.817,404 3.724,405 2.18,406 1.225,407 1.742,409 2.822,410 1.16,411 2.632,412 1.711,413 3.621,414 2.13,415 1.163,416 1.593,417 2.666,418 1.112,419 2.236,420 1.367,421 3.487,422 2.095,423 1.125,424 1.218,425 2.513,426 1.075,427 2.197,428 1.284,429 3.482,430 1.952,431 1,432 1.167,433 2.491,434 0.946,435 2,436 1.256,437 3.417,438 1.934,439 1,440 1,441 2.136,442 0.922,443 1.788,444 1.114,445 3.247,446 1.555,447 0.659,448 0.721,449 1.779,450 0.584,451 15.448,452 0.468,453 0.78,454 0.024,455 45.5,456 1.379,457 22,458 0.667,459 23.5,460 0.712,461 26.447,462 0.801,463 35.552,464 0.658,465 36.239,466 1.098,467 9.159,468 0.278,469 6.905,470 0.209,471 0.094,473 0.35,478 0.908,479 1.416,480 0.609,481 1.036,482 0.75,483 0.86,484 1.073,485 1.025,486 0.751,487 0.846,488 0.635,489 0.833,490 1.02,491 1.12,492 0.962,493 0.963,494 0.908,495 0.978,496 0.793,497 1.174,498 0.994,499 1.157,500 0.899,501 1.121,502 0.646,503 0.962,504 0.763,505 0.897,506 0.614,507 0.895,508 0.982,509 1.149,510 1.05,511 1.06,512 1.109,513 1.021,514 0.938,515 1.077,516 0.928,517 1.017,518 1.346,519 1.037,520 1.051,521 0.887,522 0.9,523 0.767,524 1.379,525 0.864,526 6.5,527 0.156,528 3.111,529 2,530 1.751,531 1.125,532 0.72,533 0.422,534 0.308,535 0.158,536 16356,537 50996,538 2.15,539 38.9,541 14,542 2,543 1,544 4,549 1.754,550 2.041,551 3.544,552 1.633,554 1,558 96.908,559 1.795,560 4.03,561 4.912,562 5.273,563 5.31,564 5.31,565 2.93,566 4.681,567 5.021,568 3.75,569 1979.82,570 8.797,571 29882.1,576 310.764,577 1.301,578 4.989,579 0.176,580 0.005,581 0.06,582 0.038,583 0.036,584 0.022,585 0.015,586 0.009,587 0.008,588 0.005,589 0.375,590 0.17,591 0.63,592 0.62,593 175.262,594 -0.131,595 -0.211,596 0.023,597 -0.076,598 -0.115,599 0.01,600 -0.034,601 0.078,602 0.012,603 0.098,604 0.097,605 0.052,606 -0.124,607 -0.052,608 -0.072,609 -0.005,610 -0.067,611 -0.041,612 0.025,613 -0.153,614 -0.041,615 -0.16,616 -0.043,617 -0.133,618 0.138,619 0.053,620 0.17,621 0.069,622 0.143,623 0.104,624 -0.098,625 -0.123,626 -0.075,627 -0.088,628 -0.12,629 -0.052,630 0.047,631 -0.041,632 -0.036,633 -0.106,634 -0.034,635 -0.108,636 -0.033,637 0.091,638 0.007,639 0.134,640 -0.095,641 0.098,642 2.181,643 4.898,644 0.818,645 32.542,646 1.024,647 1.131,648 1.651,649 2.726,650 0.682,651 3.638,652 3.97,653 4.248,654 4.533,655 4.771,656 4.836,657 4.977,658 5.081,659 5.142,660 5.215,661 7.408,662 0.667,663 468.94,664 3.638,665 5.187,666 6.043,667 6.925,668 7.796,669 8.682,670 9.559,671 10.445,672 11.326,673 12.213,674 11.1,680 1,681 1,682 2,684 2,690 7,691 2,695 9,697 18,703 1,709 2,711 1,714 2,715 1,716 54,718 19,719 2,720 37,722 58,723 22,724 16,725 7,726 5,727 1,728 5,729 6,730 1,740 17,741 5,744 1,749 1,753 1,757 1,760 21,761 10,762 4,763 11,764 1,769 6,775 0.8,776 4,788 1,793 1,794 4,797 1,818 1,819 4,824 1,827 33,828 1,833 5,834 2,835 3,838 1,849 1,850 7.4,853 1,854 1,855 2,858 16.167,859 9.576,860 7.139,861 3.016,863 3.634,864 1.439,865 1.013,866 6.414,867 11.907,868 3.871,869 4.46,870 5.009,871 5.57,872 6.107,873 6.321,874 6.669,875 7.012,876 7.337,877 7.683,878 0.875,879 52,880 12.158,881 5.241,882 7.827,883 22.88,884 18.711,885 2.327,886 76.778,890 200.109,891 120.326,892 105.614,893 39.149,894 58.145,897 120.326,898 297.402,899 105.614,901 52.944,902 56.857,903 86.192,904 95.636,905 27.769,906 164.795,907 39.149,908 200.109,909 225.94,910 58.145,911 39.149,913 200.109,914 47.145,915 11,917 99.912,918 92.458,919 72.72,921 200.109,922 163.759,923 159.475,926 200.109,927 54.421,928 69.029,929 36.022,930 163.761,931 200.109,932 163.759,933 159.475,935 0.583,936 0.339,937 0.187,938 0.106,939 26,940 11,941 0.103,942 6,943 1,944 1.074,945 4.425,946 313.299,947 0.074,948 27,949 162.465,954 22.035,955 9.606,956 4.937,958 163.759,959 12.149,960 8.795,964 4.884,966 68.919,967 523.342,968 47,973 11.898,977 -0.515,980 55.313,981 61.093,983 0.312,984 0.7,985 0.854,986 0.916,987 0.923,988 0.923,989 5.121,990 1.728,991 6.023,992 5.461,993 4.654,994 5.147,995 2.345,996 6.828,997 4.529,998 6.315,999 1.648,1000 7.574,1001 4.639,1002 4.205,1003 4.945,1004 0.325,1005 7.681,1006 4.013,1007 7.618,1008 1.225,1009 9.222,1010 4.307,1011 6.24,1012 7.302,1013 2.498,1014 10.787,1015 6.007,1016 8.954,1017 1.163,1018 10.929,1019 2.822,1020 6.608,1021 7.894,1022 0.268,1023 12.472,1024 6.311,1025 10.321,1026 1.125,1027 12.672,1028 2.666,1029 8.101,1030 9.743,1031 2.914,1032 15.081,1033 7.767,1034 11.709,1035 1,1036 14.441,1037 2.513,1038 8.852,1039 10.71,1040 0.188,1041 17.126,1042 8.459,1043 13.115,1044 1,1045 16.23,1046 2.491,1047 10.119,1048 12.34,1049 3.453,1050 19.562,1051 9.687,1052 3.145,1053 0.659,1054 18.032,1055 2.136,1056 11.058,1057 13.503,1058 0.125,1059 21.773,1060 10.57,1061 3.002,1062 10.781,1063 19.846,1064 1.779,1065 12.231,1066 15.024,1067 4.054,1068 24.15,1069 11.7,1070 2.7,1071 9.514,1072 21.67,1073 4.173,1074 13.263,1075 16.296,1076 0.082,1077 26.439,1078 12.675,1079 2.593,1080 8.128,1081 23.502,1082 3.961,1083 14.398,1084 17.761,1085 4.686,1086 28.799,1087 13.765,1088 2.371,1089 7.889,1090 25.34,1091 3.656,1092 15.475,1093 19.092,1094 0.054,1095 31.126,1096 14.786,1097 2.222,1098 7.283,1099 27.185,1100 3.086,1101 16.599,1102 20.53,1103 5.332,1104 33.484,1105 15.86,1106 1.919,1107 6.563,1108 29.035,1109 2.953,1110 17.699,1111 21.895,1112 0.035,1113 35.83,1114 16.905,1115 15129,1116 26917,1117 25.255,1118 36.801,1119 55.688,1120 57.857,1121 56.522,1122 55.611,1123 55.547,1124 70.228,1125 10.726,1126 159.249,1127 51.911,1128 5.489,1129 5.513,1130 6.486,1131 5.186,1132 5.145,1133 7.173,1134 2.783,1135 17.937,1136 4.933,1137 13.347,1138 1.505,1139 1.564,1140 1.528,1141 1.503,1142 1.501,1143 1.898,1144 0.29,1145 4.304,1146 1.403,1147 4.021,1148 4.055,1149 4.058,1150 3.908,1151 7.437,1152 3.919,1153 3.95,1154 3.968,1155 3.94,1156 3.854,1157 5.088,1158 3.862,1159 3.79,1160 3.838,1161 3.758,1162 3.616,1163 4.984,1164 3.642,1165 3.691,1166 3.736,1167 3.583,1168 3.488,1169 4.897,1170 3.502,1171 3.351,1172 3.403,1173 3.495,1174 3.094,1175 4.711,1176 3.133,1177 3.303,1178 3.324,1179 3.28,1180 3.05,1181 4.694,1182 3.081,1183 3.111,1184 3.206,1185 3.014,1186 2.941,1187 4.558,1188 2.91,1189 3.095,1190 3.168,1191 2.924,1192 2.874,1193 4.136,1194 2.899,1195 0.121,1196 0.095,1197 0.181,1198 0.11,1199 0.085,1200 4.489,1201 0.113,1202 3.513,1203 0.038,1204 6.684,1205 0.291,1206 4.083,1207 0.079,1208 3.145,1209 4.173,1210 1.392,1211 10.781,1212 2.933,1213 1.937,1214 1.909,1215 2.029,1216 2.072,1217 1.243,1218 2.06,1219 1.863,1220 1.846,1221 1.917,1222 1.991,1223 1.058,1224 1.974,1225 1.704,1226 1.658,1227 1.855,1228 1.887,1229 1.042,1230 1.879,1231 1.632,1232 1.582,1233 1.779,1234 1.83,1235 0.825,1236 1.82,1237 1.22,1238 1.178,1239 1.513,1240 1.538,1241 0.776,1242 1.501,1243 1.163,1244 1.13,1245 1.435,1246 1.517,1247 0.578,1248 1.483,1249 1.153,1250 1.064,1251 1.393,1252 1.376,1253 0.304,1254 1.429,1255 0.998,1256 0.934,1257 1.203,1258 1.275,1259 0.291,1260 1.259,1261 4.317,1263 5.645,1264 2.398,1265 7.165,1266 4.595,1267 8.772,1268 6.605,1269 10.426,1272 6.351,1275 5.558,1277 2.835,1278 6.322,1279 16.361,1282 2.139,1289 36.029,1290 96.908,1291 217.628,1292 265.254,1293 284.764,1294 286.764,1295 286.764,1296 50.715,1297 8.273,1298 123.86,1299 123.86,1300 29,1301 12.745,1302 4.322,1303 3.459,1304 47.81,1305 149,1306 130,1307 0.154,1308 220.645,1309 384.63,1310 530.133,1311 52644,1312 1.9,1313 22.786,1314 0.69,1315 0.553,1316 23.286,1317 18.263,1318 16.064,1319 0.434,1320 0.288,1321 10.101,1322 14.916,1323 9.94,1324 8.128,1325 16.352,1326 10.673,1327 14.679,1328 0.282,1329 0.15,1330 15.05,1331 7.811,1332 12.292,1333 0.178,1334 0.08,1335 12.65,1336 5.547,1337 10.456,1338 0.114,1339 0.042,1340 10.731,1341 3.836,1342 8.68,1343 0.074,1344 0.022,1345 9.01,1346 2.612,1347 0.244,1348 105.494,1349 0.199,1350 30.662,1351 0.419,1352 178,1353 594.059,1354 217.464,1355 588.136,1356 794.29,1357 552,1358 210,1359 561.495,1360 245.929,1361 571.837,1362 843,1363 537,1364 6.052}
{0 CHEMBL521851,1 1.78,2 12.029,3 2.892,4 8.361,5 136.875,6 8.286,7 0.5,8 4.265,9 4.373,10 4.076,11 3.821,12 5.256,13 3.78,14 4.867,15 5.038,16 4.41,17 4.247,18 6.005,19 4.193,20 5.085,21 5.279,22 4.431,23 4.39,24 6.061,25 4.298,26 5.148,27 5.363,28 4.399,29 4.418,30 6.122,31 4.302,32 5.146,33 5.383,34 4.367,35 4.396,36 6.121,37 4.26,38 4.99,39 5.187,40 4.34,41 4.365,42 5.882,43 4.246,44 4.978,45 5.161,46 4.376,47 4.342,48 5.958,49 4.235,50 5.064,51 5.284,52 4.373,53 4.333,54 5.977,55 4.213,56 0.138,57 1.053,58 14.833,59 6.041,60 15.843,61 7.068,62 0.636,63 1.735,64 30.612,65 10.283,66 59.844,67 12.197,68 0.71,69 2.06,70 43.941,71 13.352,72 54.192,73 16.27,74 0.565,75 2.113,76 43.593,77 15.122,78 65.169,79 19.016,80 0.887,81 2.089,82 50.078,83 15.742,84 77.777,85 19.215,86 0.447,87 1.937,88 41.98,89 13.99,90 27.589,91 16.735,92 0.442,93 1.876,94 33.878,95 12.865,96 37.968,97 15.547,98 0.531,99 1.975,100 41.626,101 13.47,102 38.358,103 17.095,104 11,105 59,106 0.282,107 0.603,108 0.751,109 0.82,110 0.82,111 0.82,112 3.589,113 1.076,114 -2.75,115 -2.76,116 -2.68,118 37.1,123 1,124 9,138 4,139 2,141 1,142 1,143 1,145 1,148 3,163 1,167 4,170 5,171 4,175 2,178 5,181 2,182 11,186 2,188 2,191 1,192 7,197 1,199 1,203 6,204 4,206 2,211 3,214 2,215 4,223 3,227 2,228 5,231 1,233 1,235 2,239 1,240 9,245 1,247 1,251 3,252 2,264 2196,265 23.797,266 23.797,267 23.797,268 23.797,269 23.797,270 21.272,271 24.599,272 13.813,273 24.654,274 19.826,275 19.826,276 19.826,277 19.826,278 19.826,279 15.807,280 35.664,281 6.611,282 21.261,283 4.175,284 2.151,285 1.222,286 0.786,287 0.786,288 0.786,289 4.307,294 1,295 945,296 3.536,299 149.966,300 393.118,303 276.737,307 1.86,308 36.69,311 0.75,312 0.5,313 0.83,314 0.7,315 0.5,316 0.67,317 1,318 0.71,319 76.5,320 421,321 4.743,322 4.375,323 7.111,324 4.248,325 3.314,326 4.618,327 0.916,328 11.657,329 3.106,330 4.67,331 3.345,332 6.793,333 4.196,334 3.252,335 4.51,336 0.86,337 11.247,338 3.077,339 4.507,340 3.098,341 6.634,342 4.021,343 3.06,344 4.443,345 0.8,346 10.64,347 2.899,348 3.901,349 3.011,350 5.868,351 3.587,352 2.67,353 3.382,354 0.4,355 8.287,356 2.444,357 3.774,358 2.748,359 5.747,360 3.41,361 2.479,362 3.119,363 0.172,364 7.774,365 2.313,366 3.551,367 2.465,368 5.474,369 3.318,370 2.379,371 2.698,373 7.244,374 2.223,375 3.225,376 2.312,377 4.957,378 2.884,379 1.954,380 2.386,382 5.727,383 1.801,384 3.048,385 2.213,386 4.707,387 2.651,388 1.743,389 2.321,391 4.829,392 1.572,393 3.018,394 1.945,395 4.616,396 2.537,397 1.561,398 2.161,400 4.645,401 1.529,402 2.947,403 1.551,404 4.538,405 2.472,406 1.546,407 2.082,409 4.412,410 1.419,411 2.69,412 1.547,413 4.056,414 2.374,415 1.442,416 1.679,417 3.568,418 1.331,419 2.5,420 1.477,421 3.766,422 2.101,423 1.241,424 1.5,425 2.961,426 1.055,427 2.399,428 1.256,429 3.427,430 1.97,431 1,432 1.386,433 2.275,434 0.968,435 2.032,436 1.146,437 3.414,438 1.967,439 1,440 1,441 2.232,442 0.965,443 2,444 1,445 3.392,446 1.952,447 1,448 1,449 2.136,450 0.946,451 16.967,452 0.485,453 0.976,454 0.028,455 44,456 1.257,457 19.5,458 0.557,459 24.5,460 0.7,461 34.932,462 0.998,463 38.233,464 0.617,465 33.767,466 0.965,467 8.183,468 0.234,469 8.77,470 0.251,471 0.069,472 0.049,473 0.306,478 0.656,479 1.477,480 0.755,481 1.185,482 0.629,483 0.973,484 1.053,485 1.012,486 0.947,487 0.842,488 0.575,489 0.802,490 1.163,491 1.101,492 1.174,493 1.089,494 1.061,495 1.003,496 0.92,497 1.152,498 0.95,499 1.029,500 1.121,501 1.043,502 0.851,503 0.783,504 1.102,505 0.917,506 1,507 0.877,508 0.692,509 1.119,510 1.277,511 1.286,512 0.436,513 1.098,514 0.851,515 1.154,516 0.862,517 1.011,518 0.806,519 1.151,520 0.802,521 1.125,522 0.976,523 1.099,524 0.545,525 1.068,526 7.5,527 0.196,528 4,529 2.444,530 1.501,531 1.421,532 0.837,533 0.587,534 0.369,535 0.297,536 18778,537 53154,538 2.184,539 43.5,541 25,543 1,544 1,549 1.771,550 2.069,551 3.527,552 -0.26,558 110.33,559 1.78,560 3.803,561 4.732,562 5.168,563 5.168,564 5.168,565 2.952,566 4.651,567 5.097,568 3.765,569 2240.01,570 8.972,571 34343.3,576 369.16,577 1.437,578 5.068,579 0.188,580 0.006,581 0.068,582 0.042,583 0.027,584 0.026,585 0.015,586 0.011,587 0.007,588 0.007,589 0.398,590 0.33,591 0.63,592 0.597,593 187.789,594 0.082,595 -0.254,596 0.182,597 -0.099,598 -0.092,599 -0.008,600 0.004,601 0.12,602 0.012,603 0.141,604 0.23,605 0.119,606 -0.165,607 -0.034,608 -0.133,609 -0.045,610 -0.105,611 -0.034,612 -0.075,613 -0.163,614 -0.018,615 -0.049,616 -0.092,617 -0.045,618 0.038,619 0.222,620 -0.015,621 0.135,622 -0.064,623 0.129,624 -0.035,625 -0.019,626 -0.161,627 -0.142,628 -0.028,629 -0.072,630 -0.046,631 -0.102,632 -0.032,633 -0.071,634 -0.091,635 -0.182,636 -0.029,637 -0.095,638 0.012,639 -0.092,640 0.01,641 -0.073,642 4.051,643 4.845,644 0.857,645 39.378,646 1.011,647 1.131,648 1.521,649 2.313,650 0.682,651 3.714,652 4.094,653 4.394,654 4.71,655 4.963,656 5.142,657 5.384,658 5.591,659 5.737,660 5.943,661 7.405,662 0.644,663 513.71,664 3.714,665 5.293,666 6.168,667 7.076,668 7.967,669 8.879,670 9.779,671 10.694,672 11.599,673 12.515,674 11.3,677 2,680 1,682 1,684 3,689 4,690 5,691 3,692 1,694 1,695 4,697 20,711 1,716 62,718 22,719 1,720 40,722 67,723 23,724 13,725 3,726 3,728 6,729 8,740 13,741 10,744 2,747 1,749 2,760 27,761 9,762 1,763 12,764 2,769 7,775 0.667,776 3,785 1,788 1,793 2,794 4,797 2,816 1,818 1,819 4,821 2,823 1,827 35,831 1,833 9,835 1,838 3,845 1,850 4.8,853 2,854 1,858 16.917,859 11.45,860 7.333,861 3.711,863 3.989,864 1.457,865 1.04,866 6.23,867 12.708,868 3.97,869 4.64,870 5.227,871 5.887,872 6.436,873 6.916,874 7.469,875 7.993,876 8.352,877 8.832,878 0.875,879 58,880 13.148,881 5.91,882 7.688,883 25.347,884 21.963,885 2.188,886 76.583,890 306.049,891 131.959,892 74.664,894 55.313,896 37.085,897 94.874,898 361.361,899 74.664,900 7.19,901 23.925,902 43.712,903 117.318,904 43.708,905 6.576,906 325.555,908 306.049,909 169.539,910 55.313,911 37.085,913 308.377,914 44.313,915 11,917 56.422,918 60.554,919 56.042,920 31.278,921 306.049,922 129.977,923 131.959,925 5.807,926 306.049,927 72.009,928 61.91,929 16.663,930 105.547,931 306.049,932 129.977,933 131.959,935 0.595,936 0.344,937 0.188,938 0.101,939 32,940 13,941 0.075,942 5,943 2,944 1.133,945 4.541,946 358.098,947 0.133,948 30,949 169.525,950 1,953 1,954 23.255,955 9.376,956 4.681,957 3.976,958 113.314,959 10.012,960 14.245,961 3.03,963 1.727,964 3.802,966 16.663,967 567.985,968 52,971 -3.135,973 23.689,980 62.683,981 70.108,983 0.299,984 0.639,985 0.795,986 0.868,987 0.868,988 0.868,989 5.247,990 1.743,991 6.188,992 5.727,993 4.779,994 5.328,995 1.661,996 7.06,997 4.645,998 6.484,999 1.561,1000 7.785,1001 4.829,1002 4.511,1003 5.421,1004 0.57,1005 8.184,1006 4.306,1007 7.838,1008 1.546,1009 9.491,1010 4.645,1011 6.466,1012 7.679,1013 1.271,1014 11.253,1015 6.211,1016 9.235,1017 1.442,1018 11.262,1019 4.412,1020 7.022,1021 8.616,1022 0.581,1023 13.186,1024 6.699,1025 10.668,1026 1.241,1027 13.076,1028 3.568,1029 8.474,1030 10.396,1031 1.026,1032 15.815,1033 8.101,1034 12.128,1035 1,1036 14.919,1037 2.961,1038 9.382,1039 11.673,1040 0.515,1041 18.05,1042 8.945,1043 13.606,1044 1,1045 16.782,1046 2.275,1047 10.651,1048 13.286,1049 0.841,1050 20.542,1051 10.162,1052 3.314,1053 1,1054 18.661,1055 2.232,1056 11.711,1057 14.701,1058 0.441,1059 22.894,1060 11.16,1061 3.252,1062 11.657,1063 20.551,1064 2.136,1065 12.914,1066 16.252,1067 0.689,1068 25.342,1069 12.308,1070 3.06,1071 11.247,1072 22.451,1073 4.618,1074 14.039,1075 17.723,1076 0.373,1077 27.74,1078 13.372,1079 2.67,1080 10.64,1081 24.358,1082 4.51,1083 15.221,1084 19.25,1085 0.564,1086 30.175,1087 14.497,1088 2.479,1089 8.287,1090 26.27,1091 4.443,1092 16.375,1093 20.745,1094 0.314,1095 32.593,1096 15.591,1097 2.379,1098 7.774,1099 28.188,1100 3.382,1101 17.552,1102 22.264,1103 0.461,1104 35.025,1105 16.709,1106 1.954,1107 7.244,1108 30.109,1109 3.119,1110 18.719,1111 23.769,1112 0.264,1113 37.452,1114 17.816,1115 17221,1116 29135,1117 27.334,1118 42.313,1119 61.554,1120 62.698,1121 61.602,1122 61.525,1123 61.455,1124 79.593,1125 6.298,1126 185.247,1127 57.253,1128 5.743,1129 6.375,1130 6.913,1131 5.389,1132 5.314,1133 7.618,1134 1.776,1135 18.927,1136 5.106,1137 14.402,1138 1.539,1139 1.567,1140 1.54,1141 1.538,1142 1.536,1143 1.99,1144 0.157,1145 4.631,1146 1.431,1147 4.155,1148 4.188,1149 4.722,1150 4.094,1151 7.716,1152 4.073,1153 4.029,1154 4.052,1155 4.339,1156 3.96,1157 6.999,1158 3.935,1159 3.988,1160 3.989,1161 4.056,1162 3.949,1163 5.13,1164 3.828,1165 3.738,1166 3.786,1167 3.665,1168 3.538,1169 4.975,1170 3.545,1171 3.643,1172 3.676,1173 3.591,1174 3.47,1175 4.612,1176 3.45,1177 3.393,1178 3.454,1179 3.417,1180 3.217,1181 4.427,1182 3.229,1183 3.264,1184 3.323,1185 3.2,1186 3.119,1187 4.336,1188 3.118,1189 3.111,1190 3.206,1191 2.949,1192 2.941,1193 4.194,1194 2.91,1195 0.119,1196 0.109,1197 0.178,1198 0.106,1199 0.083,1200 4.743,1201 0.115,1202 4.375,1203 0.023,1204 7.111,1205 0.291,1206 4.248,1207 0.078,1208 3.314,1209 4.618,1210 0.916,1211 11.657,1212 3.106,1213 1.975,1214 1.952,1215 2.038,1216 2.077,1217 1.334,1218 2.069,1219 1.854,1220 1.844,1221 1.971,1222 2.04,1223 1.224,1224 2.064,1225 1.791,1226 1.757,1227 1.928,1228 1.964,1229 1.168,1230 1.959,1231 1.63,1232 1.612,1233 1.733,1234 1.8,1235 0.989,1236 1.82,1237 1.576,1238 1.54,1239 1.603,1240 1.746,1241 0.869,1242 1.765,1243 1.402,1244 1.38,1245 1.524,1246 1.619,1247 0.832,1248 1.582,1249 1.307,1250 1.232,1251 1.513,1252 1.508,1253 0.825,1254 1.554,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.825,1260 1.429,1261 4.394,1263 5.759,1264 3.045,1265 7.311,1266 5.352,1267 8.948,1268 7.424,1269 10.631,1271 1.28,1277 6.219,1279 5.586,1282 6.151,1289 39.936,1290 110.33,1291 235.802,1292 293.386,1293 320.405,1294 320.405,1295 320.405,1296 57.378,1297 8.719,1298 107.55,1299 144.17,1300 34,1301 13.028,1302 4.524,1303 3.7,1304 46.915,1305 156,1306 159,1307 0.147,1308 245.425,1309 407.97,1310 590.598,1311 77748,1313 23.993,1314 0.686,1315 0.603,1316 24.597,1317 21.108,1318 16.954,1319 0.424,1320 0.359,1321 11.704,1322 14.934,1323 11.235,1324 9.148,1325 18.256,1326 14.352,1327 16.324,1328 0.277,1329 0.205,1330 18.353,1331 12.092,1332 13.557,1333 0.169,1334 0.113,1335 15.101,1336 9.029,1337 11.866,1338 0.108,1339 0.061,1340 13.32,1341 6.737,1342 9.633,1343 0.068,1344 0.033,1345 10.894,1346 4.686,1347 0.23,1348 120.258,1349 0.191,1350 31.943,1351 0.409,1352 198,1353 581.131,1354 278.253,1355 594.77,1356 818.88,1357 556,1358 238,1359 570.047,1360 325.557,1361 621.57,1362 914.97,1363 583,1364 5}
{0 CHEMBL522785,1 1.672,2 12.568,3 6.653,4 44.265,5 145.523,6 8.494,7 0.762,8 4.232,9 4.339,10 3.951,11 3.814,12 5.397,13 3.802,14 4.716,15 4.861,16 4.345,17 4.191,18 5.853,19 4.165,20 4.853,21 5.014,22 4.37,23 4.277,24 5.965,25 4.23,26 4.936,27 5.128,28 4.328,29 4.274,30 6.006,31 4.208,32 4.91,33 5.097,34 4.297,35 4.242,36 5.991,37 4.197,38 4.918,39 5.102,40 4.295,41 4.296,42 5.988,43 4.24,44 5.007,45 5.217,46 4.299,47 4.312,48 6.046,49 4.252,50 4.973,51 5.173,52 4.29,53 4.282,54 6.005,55 4.216,56 0.094,57 0.948,58 10.184,59 5.053,60 9.086,61 5.716,62 0.354,63 1.506,64 20.762,65 8.65,66 25.802,67 9.844,68 0.402,69 1.729,70 24.237,71 9.575,72 29.096,73 10.902,74 0.464,75 1.849,76 31.48,77 11.372,78 37.296,79 13.237,80 0.624,81 1.774,82 28.685,83 9.962,84 40.028,85 11.721,86 0.409,87 1.782,88 26.843,89 10.716,90 31.805,91 13.41,92 0.512,93 1.942,94 29.959,95 10.812,96 43.077,97 13.666,98 0.428,99 1.832,100 29.077,101 11.084,102 36.108,103 13.516,104 14,105 60,106 0.264,107 0.6,108 0.745,109 0.855,110 0.873,111 0.878,112 3.642,113 0.884,114 -4.97,115 -4.87,116 -4.57,118 45,119 1,123 2,138 11,139 2,140 3,142 2,143 2,146 1,148 2,156 1,163 1,167 8,170 1,171 9,173 4,175 6,178 10,181 1,182 10,185 1,186 3,188 8,191 3,192 8,195 1,196 1,197 5,199 6,203 2,204 3,206 4,208 2,211 11,214 1,215 7,218 3,220 3,223 13,227 1,228 7,231 1,232 1,233 6,235 9,239 1,240 9,245 5,247 8,251 2,252 10,255 2,257 3,260 6,264 2872,265 25.616,266 25.616,267 25.616,268 25.616,269 25.616,270 21.94,271 28.631,272 14.94,273 26.501,274 20.7,275 20.7,276 20.7,277 20.7,278 20.7,279 14.981,280 48.828,281 7.031,282 22.013,283 4.235,284 2.102,285 1.185,286 0.484,287 0.371,288 0.338,289 4.361,294 1,295 1039,296 3.24,299 168.544,300 398.719,303 146.515,304 162.597,307 1.795,308 25.791,311 0.75,312 0.5,313 0.83,314 0.5,316 0.83,317 1,318 0.63,319 79.5,320 465,321 4.604,322 3.305,323 6.609,324 4.127,325 3.167,326 4.546,327 0.86,328 10.639,329 3.042,330 4.511,331 3.078,332 6.379,333 3.988,334 3.064,335 4.439,336 0.86,337 9.913,338 2.836,339 4.126,340 3.008,341 6.056,342 3.704,343 2.765,344 3.743,345 0.4,346 8.751,347 2.61,348 4.105,349 2.855,350 5.934,351 3.669,352 2.708,353 3.727,354 0.4,355 8.388,356 2.593,357 3.996,358 2.689,359 5.649,360 3.56,361 2.609,362 3.532,364 7.865,365 2.459,366 3.635,367 2.423,368 5.41,369 3.233,370 2.29,371 3.019,373 7.007,374 2.154,375 3.528,376 2.313,377 5.206,378 3.105,379 2.163,380 2.895,382 6.499,383 2.026,384 3.371,385 2.216,386 5.061,387 2.884,388 1.937,389 2.74,391 5.908,392 1.828,393 3.049,394 1.909,395 4.577,396 2.628,397 1.691,398 2.298,400 4.769,401 1.58,402 3.032,403 1.852,404 4.431,405 2.513,406 1.568,407 2.246,409 4.312,410 1.49,411 3.002,412 1.532,413 4.414,414 2.458,415 1.532,416 2.217,417 4.239,418 1.399,419 2.822,420 1.525,421 4.228,422 2.408,423 1.474,424 1.935,425 3.739,426 1.363,427 2.715,428 1.299,429 3.598,430 2.239,431 1.267,432 1.801,433 2.868,434 1.224,435 2.5,436 1.066,437 3.545,438 1.95,439 1,440 1.5,441 2.463,442 0.937,443 2.21,444 1,445 3.465,446 1.723,447 0.77,448 1.076,449 1.792,450 0.728,451 17.8,452 0.481,453 0.841,454 0.023,455 55,456 1.486,457 30,458 0.811,459 25,460 0.676,461 29.93,462 0.809,463 37.4,464 0.623,465 43.713,466 1.181,467 10.878,468 0.294,469 7.211,470 0.195,471 0.084,473 0.365,478 0.92,479 1.147,480 0.697,481 0.901,482 0.911,483 0.816,484 1.105,485 0.978,486 0.756,487 0.822,488 0.907,489 0.759,490 1.091,491 1.161,492 1.003,493 0.986,494 1.068,495 0.964,496 1.013,497 1.078,498 1.149,499 1.096,500 0.964,501 0.995,502 1.212,503 0.927,504 1.02,505 0.874,506 1.168,507 0.896,508 0.748,509 1.114,510 0.898,511 1.008,512 0.823,513 1.008,514 1.046,515 0.952,516 0.884,517 0.85,518 1.157,519 0.952,520 1.157,521 1.053,522 0.914,523 0.925,524 1.02,525 0.987,526 8,527 0.359,528 3.333,529 2.736,530 2.178,531 1.24,532 0.83,533 0.663,534 0.471,535 0.367,536 21906,537 59423,538 2.18,539 38.3,541 17,544 3,545 3,549 1.786,550 2.075,551 3.619,552 0.809,558 100.338,559 1.672,560 3.804,561 4.722,562 5.423,563 5.536,564 5.569,565 3.031,566 4.79,567 5.18,568 3.799,569 2529.82,570 9.146,571 40883.4,576 354.413,577 1.288,578 5.156,579 0.19,580 0.007,581 0.056,582 0.046,583 0.038,584 0.022,585 0.014,586 0.012,587 0.009,588 0.007,589 0.4,590 0.17,591 0.75,592 0.662,593 202.266,594 -0.043,595 -0.056,596 0.062,597 0.007,598 -0.121,599 0.027,600 0.018,601 0.073,602 0.149,603 0.138,604 0.086,605 0.132,606 -0.061,607 -0.08,608 -0.067,609 -0.031,610 -0.097,611 -0.076,612 0.002,613 -0.022,614 -0.077,615 -0.073,616 0.054,617 -0.049,618 -0.023,619 0.124,620 -0.085,621 0.052,622 -0.076,623 0.009,624 0.098,625 -0.099,626 -0.048,627 -0.091,628 0.076,629 -0.068,630 -0.09,631 0.072,632 -0.046,633 0.02,634 -0.151,635 -0.02,636 -0.117,637 -0.055,638 -0.021,639 -0.008,640 -0.046,641 -0.041,642 1.268,643 2.039,644 0.811,645 42.456,646 1.009,647 1.119,648 3.736,649 13.954,650 0.711,651 3.761,652 4.111,653 4.419,654 4.736,655 4.984,656 5.13,657 5.323,658 5.521,659 5.666,660 5.793,661 7.66,662 0.683,663 509.64,664 3.761,665 5.323,666 6.192,667 7.088,668 7.972,669 8.872,670 9.763,671 10.665,672 11.559,673 12.462,674 11.7,682 3,684 4,689 4,690 11,691 4,692 1,694 1,695 9,697 32,709 2,714 2,716 60,718 32,719 3,720 42,722 65,723 27,724 24,725 8,726 10,728 6,729 8,732 1,740 24,741 3,760 23,761 8,762 3,763 10,764 1,769 7,775 0.667,776 2,785 1,788 1,793 2,794 4,797 1,798 1,819 4,821 1,823 3,827 37,834 2,835 2,844 1,850 3.3,855 2,858 17.833,859 11.967,860 8.056,861 3.331,863 6.016,864 1.676,865 1.047,866 6.365,867 14.92,868 4.078,869 4.766,870 5.427,871 6.093,872 6.667,873 7.077,874 7.574,875 8.079,876 8.492,877 8.871,878 1,879 60,880 13.576,881 5.783,882 7.608,883 25.984,884 21.294,885 2.108,886 78,890 235.422,891 200.385,892 119.704,894 22,896 31.278,897 169.108,898 257.422,899 119.704,900 30.591,902 104.239,903 67.949,904 97.975,905 10.057,906 266.7,908 235.422,909 288.812,910 22,911 31.278,913 235.422,914 22,917 68.627,918 153.165,919 67.02,920 31.278,921 235.422,922 141.704,923 200.385,926 235.422,927 65.555,928 134.83,929 52.685,930 89.019,931 235.422,932 141.704,933 200.385,935 0.582,936 0.347,937 0.197,938 0.108,939 31,940 13,941 0.108,942 7,943 2,944 1.133,945 4.729,946 379.57,947 0.133,948 30,949 190.75,950 1,954 23.646,955 9.959,956 4.823,957 3.62,958 125.041,959 21.859,960 18.51,961 2.92,963 1.668,964 6.592,966 52.685,967 577.511,968 58,980 60.512,981 67.149,983 0.283,984 0.644,985 0.799,986 0.918,987 0.937,988 0.943,989 5.313,990 1.937,991 6.18,992 6.499,993 4.796,994 5.455,995 1.526,996 7.004,997 4.678,998 6.548,999 1.691,1000 7.74,1001 5.908,1002 4.369,1003 5.316,1005 7.867,1006 4.194,1007 7.873,1008 1.568,1009 9.394,1010 4.769,1011 6.405,1012 7.761,1013 1.191,1014 10.976,1015 6.182,1016 9.234,1017 1.532,1018 11.101,1019 4.312,1020 6.792,1021 8.454,1023 12.649,1024 6.501,1025 10.625,1026 1.474,1027 12.843,1028 4.239,1029 8.28,1030 10.347,1031 0.969,1032 15.255,1033 7.953,1034 12.037,1035 1.267,1036 14.61,1037 3.739,1038 9.048,1039 11.443,1041 17.281,1042 8.652,1043 13.465,1044 1,1045 16.393,1046 2.868,1047 10.312,1048 13.104,1049 0.788,1050 19.708,1051 9.881,1052 3.167,1053 0.77,1054 18.19,1055 2.463,1056 11.264,1057 14.403,1059 21.897,1060 10.768,1061 3.064,1062 10.639,1063 19.998,1064 1.792,1065 12.436,1066 15.964,1067 0.634,1068 24.259,1069 11.902,1070 2.765,1071 9.913,1072 21.814,1073 4.546,1074 13.477,1075 17.364,1077 26.525,1078 12.883,1079 2.708,1080 8.751,1081 23.637,1082 4.439,1083 14.614,1084 18.883,1085 0.504,1086 28.866,1087 13.979,1088 2.609,1089 8.388,1090 25.466,1091 3.743,1092 15.698,1093 20.334,1095 31.17,1096 15.009,1097 2.29,1098 7.865,1099 27.301,1100 3.727,1101 16.825,1102 21.838,1103 0.395,1104 33.507,1105 16.092,1106 2.163,1107 7.007,1108 29.14,1109 3.532,1110 17.93,1111 23.313,1113 35.831,1114 17.148,1115 20053,1116 33243,1117 28.838,1118 42.688,1119 63.386,1120 63.781,1121 64.729,1122 62.873,1123 62.979,1124 87.184,1125 5.04,1126 184.599,1127 59.183,1128 5.407,1129 5.305,1130 6.292,1131 5.236,1132 5.167,1133 7.546,1134 1.72,1135 17.676,1136 5.042,1137 14.717,1138 1.509,1139 1.519,1140 1.541,1141 1.497,1142 1.499,1143 2.076,1144 0.12,1145 4.395,1146 1.409,1147 4.115,1148 4.142,1149 4.331,1150 4.082,1151 5.127,1152 4.046,1153 4.044,1154 4.063,1155 4.061,1156 3.966,1157 4.986,1158 3.973,1159 3.905,1160 3.967,1161 3.856,1162 3.786,1163 4.977,1164 3.781,1165 3.842,1166 3.87,1167 3.79,1168 3.715,1169 4.771,1170 3.741,1171 3.518,1172 3.557,1173 3.476,1174 3.302,1175 4.684,1176 3.331,1177 3.298,1178 3.338,1179 3.428,1180 3.253,1181 4.498,1182 3.206,1183 3.252,1184 3.314,1185 3.1,1186 2.986,1187 4.269,1188 3,1189 3.166,1190 3.252,1191 3.012,1192 2.917,1193 4.111,1194 2.923,1195 0.11,1196 0.079,1197 0.157,1198 0.098,1199 0.075,1200 4.604,1201 0.108,1202 3.305,1203 0.02,1204 6.609,1205 0.253,1206 4.127,1207 0.072,1208 3.167,1209 4.546,1210 0.86,1211 10.639,1212 3.042,1213 2.008,1214 1.987,1215 2.058,1216 2.131,1217 1.188,1218 2.109,1219 1.899,1220 1.883,1221 1.986,1222 1.978,1223 1.111,1224 1.983,1225 1.89,1226 1.866,1227 1.968,1228 1.951,1229 1.082,1230 1.971,1231 1.601,1232 1.55,1233 1.799,1234 1.788,1235 0.887,1236 1.791,1237 1.44,1238 1.387,1239 1.613,1240 1.734,1241 0.606,1242 1.69,1243 1.292,1244 1.253,1245 1.576,1246 1.569,1247 0.575,1248 1.55,1249 1.236,1250 1.195,1251 1.485,1252 1.524,1253 0.492,1254 1.539,1255 1.193,1256 1.119,1257 1.312,1258 1.372,1259 0.462,1260 1.386,1261 4.443,1263 5.784,1264 3.045,1265 7.314,1266 5.352,1267 8.932,1268 7.391,1269 10.6,1271 5.139,1278 6.648,1279 11.043,1289 40.981,1290 100.338,1291 228.267,1292 283.34,1293 325.394,1294 332.149,1295 334.149,1296 46.057,1297 8.904,1298 109.87,1299 138.11,1300 34,1301 12.984,1302 5.044,1303 4.087,1304 50.776,1305 164,1306 169,1307 0.143,1308 251.103,1309 412.23,1310 604.452,1311 107900,1313 25.355,1314 0.685,1315 0.572,1316 25.708,1317 21.181,1318 18.089,1319 0.431,1320 0.295,1321 11.432,1322 16.9,1323 11.025,1324 9.195,1325 18.497,1326 12.369,1327 16.414,1328 0.274,1329 0.157,1330 17.056,1331 9.405,1332 14.253,1333 0.174,1334 0.084,1335 15.074,1336 6.898,1337 12.507,1338 0.111,1339 0.044,1340 13.394,1341 5.028,1342 10.207,1343 0.07,1344 0.024,1345 11.007,1346 3.433,1347 0.224,1348 117.798,1349 0.186,1350 33.471,1351 0.396,1352 204,1353 593.911,1354 249.924,1355 598.953,1356 845.81,1357 566,1358 244,1359 635.243,1360 288.185,1361 662.032,1362 972.09,1363 621,1364 6.108}
{0 CHEMBL522892,1 1.644,2 11.483,3 1.782,4 3.174,5 110.583,6 7.85,7 0.485,8 4.047,9 4.179,10 3.661,11 3.564,12 5.18,13 3.569,14 4.589,15 4.768,16 4.07,17 3.99,18 5.696,19 3.982,20 4.85,21 5.047,22 4.167,23 4.158,24 5.955,25 4.124,26 4.961,27 5.19,28 4.158,29 4.149,30 6.204,31 4.082,32 4.929,33 5.188,34 3.955,35 4.015,36 6.03,37 3.953,38 4.683,39 4.915,40 3.899,41 3.876,42 5.946,43 3.823,44 4.553,45 4.765,46 3.733,47 3.765,48 5.709,49 3.722,50 4.466,51 4.715,52 3.529,53 3.669,54 5.461,55 3.571,56 0.083,57 0.886,58 9.549,59 4.013,60 10.718,61 5.212,62 0.281,63 1.433,64 18.687,65 6.802,66 20.524,67 9.196,68 0.356,69 1.774,70 25.624,71 9.239,72 34.54,73 12.309,74 0.681,75 1.867,76 31.032,77 11.103,78 85.154,79 15.394,80 0.638,81 1.665,82 33.013,83 9.809,84 82.244,85 13.475,86 0.542,87 1.369,88 23.953,89 7.844,90 79.087,91 11.245,92 0.377,93 1.246,94 19.966,95 6.256,96 44.302,97 8.334,98 0.342,99 1.077,100 19.425,101 6.969,102 30.263,103 9.759,104 17,105 49,106 0.274,107 0.65,108 0.766,109 0.845,110 0.851,111 0.851,112 3.409,113 0.868,114 -3.23,115 -3.22,116 -3.09,118 42,123 1,124 4,133 1,135 1,138 6,139 1,140 3,142 1,148 1,153 1,156 1,158 1,159 1,160 1,167 3,171 5,173 2,175 7,178 5,180 2,181 1,182 2,186 3,188 2,191 2,192 4,194 2,195 4,196 3,197 4,198 2,199 4,201 2,204 3,206 1,208 1,211 2,213 1,215 7,220 6,223 2,225 2,227 1,228 2,233 3,235 1,237 1,239 1,240 1,242 1,243 3,247 4,252 1,260 4,264 1256,265 19.602,266 19.602,267 19.602,268 19.602,269 19.602,270 17.385,271 24.416,272 11.161,273 20.029,274 16.271,275 16.271,276 16.271,277 16.271,278 16.271,279 12.814,280 38.408,281 5.297,282 16.992,283 4,284 1.741,285 1.045,286 0.575,287 0.535,288 0.535,289 4.117,293 1,294 1,295 743,296 2.449,299 55.207,300 299.019,303 103.645,304 121.954,307 1.812,308 34.854,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 63.5,320 333,321 4.69,322 3.682,323 6.995,324 4.293,325 3.315,326 4.499,327 1.058,328 11.831,329 3.24,330 4.463,331 3.195,332 6.446,333 3.999,334 3.039,335 4.229,336 0.8,337 10.011,338 2.917,339 4.083,340 3.178,341 6.242,342 3.746,343 2.798,344 3.582,345 0.8,346 9.293,347 2.663,348 3.877,349 2.928,350 5.995,351 3.545,352 2.576,353 3.213,355 8.506,356 2.476,357 3.438,358 2.619,359 5.245,360 3.198,361 2.272,362 2.657,364 6.296,365 2.104,366 3.362,367 2.456,368 5.046,369 3.062,370 2.103,371 2.443,373 6.089,374 2.009,375 3.138,376 2.337,377 4.921,378 2.728,379 1.774,380 2.342,382 5.143,383 1.682,384 3.102,385 1.867,386 4.76,387 2.649,388 1.676,389 2.278,391 4.751,392 1.612,393 3.005,394 1.568,395 4.467,396 2.487,397 1.526,398 2.207,400 4.417,401 1.464,402 2.699,403 1.502,404 4.256,405 2.341,406 1.38,407 1.738,409 3.83,410 1.321,411 2.593,412 1.272,413 3.808,414 2.151,415 1.179,416 1.604,417 2.795,418 1.14,419 2,420 1.146,421 3.414,422 1.967,423 1,424 1,425 2.275,426 0.965,427 1.897,428 0.818,429 3.213,430 1.38,431 0.433,432 0.624,433 1.12,434 0.409,435 1.465,436 0.457,437 3.162,438 1.051,439 0.076,440 0.094,441 0.213,442 0.073,443 1.178,444 0.275,445 2.854,446 0.878,447 -0.092,448 -0.11,449 -0.243,450 -0.087,451 13.519,452 0.466,453 0.836,454 0.029,455 38.25,456 1.319,457 18,458 0.621,459 20.25,460 0.698,461 23.671,462 0.816,463 30.881,464 0.618,465 30.221,466 1.042,467 7.694,468 0.265,469 6.314,470 0.218,471 0.112,473 0.429,477 1,478 0.761,479 1.227,480 0.733,481 1.004,482 0.603,483 0.876,484 0.78,485 1.051,486 0.767,487 0.88,488 0.511,489 0.817,490 0.982,491 1.14,492 0.96,493 1.062,494 0.839,495 1.01,496 0.611,497 0.966,498 0.877,499 1.122,500 0.682,501 1.081,502 1.312,503 0.92,504 1.016,505 0.822,506 1.372,507 0.845,508 0.677,509 0.932,510 0.807,511 0.966,512 0.623,513 0.921,514 1.293,515 1.065,516 1.203,517 1.03,518 1.22,519 1.073,520 0.62,521 0.818,522 0.918,523 0.979,524 0.604,525 1.009,526 6,527 0.157,528 3.778,529 2.854,530 2.049,531 1.487,532 0.535,533 0.575,534 0.277,535 0.221,536 11120,537 28665,538 2.15,539 42,541 17,544 4,549 1.719,550 2,551 3.45,552 1.663,553 1,554 1,558 82.206,559 1.644,560 3.902,561 4.599,562 5.069,563 5.109,564 5.109,565 2.935,566 4.72,567 4.828,568 3.607,569 1464.55,570 8.406,571 19174.4,573 1,575 1,576 282.193,577 1.44,578 4.786,579 0.182,580 0.008,581 0.077,582 0.055,583 0.043,584 0.037,585 0.014,586 0.018,587 0.011,588 0.009,589 0.453,590 0.33,591 0.88,592 0.562,593 146.101,594 -0.096,595 -0.139,596 0.038,597 0.001,598 -0.069,599 0.043,600 -0.023,601 -0.02,602 0.087,603 0.091,604 0.054,605 0.113,606 -0.106,607 -0.115,608 -0.058,609 -0.079,610 -0.032,611 -0.059,612 0.307,613 0.001,614 0.088,615 -0.136,616 0.247,617 -0.096,618 -0.166,619 0.035,620 0.03,621 0.131,622 -0.15,623 0.13,624 0.239,625 -0.01,626 0.168,627 0.011,628 0.297,629 0.064,630 -0.238,631 -0.055,632 -0.253,633 -0.098,634 -0.183,635 -0.158,636 0.117,637 0.063,638 0.046,639 0.016,640 0.046,641 0.01,642 2.147,643 6.324,644 0.862,645 26.894,646 1.01,647 1.137,648 1.995,649 3.981,650 0.67,651 3.526,652 3.912,653 4.248,654 4.575,655 4.828,656 4.997,657 5.142,658 5.333,659 5.489,660 5.62,661 6.538,662 0.649,663 392.48,664 3.526,665 5.106,666 5.994,667 6.907,668 7.808,669 8.726,670 9.633,671 10.554,672 11.465,673 12.388,674 12,675 1,677 1,680 1,681 1,682 1,684 1,689 2,690 6,691 1,692 1,695 5,697 16,711 1,715 1,716 50,718 18,719 2,720 33,722 54,723 21,724 13,725 6,726 6,727 3,728 5,729 7,740 16,741 5,744 2,749 1,753 3,757 1,758 1,760 21,761 7,762 4,763 8,766 1,769 6,775 0.6,776 1,793 1,794 4,797 1,798 1,807 1,811 1,812 1,813 1,816 1,819 3,823 1,825 1,827 29,828 1,833 4,834 1,838 2,849 1,850 2,853 1,858 14.5,859 9.243,860 6.139,861 2.932,863 3.689,864 1.442,865 1.063,866 4.391,867 12.036,868 3.784,869 4.44,870 5.082,871 5.729,872 6.287,873 6.742,874 7.2,875 7.687,876 8.056,877 8.444,878 0.875,879 52,880 10.802,881 4.855,882 7.833,883 20.45,884 17.485,885 2.333,886 67.667,890 200.109,891 108.76,892 90.728,894 25.145,895 14.96,897 108.76,898 225.254,899 105.688,900 8.396,901 59.331,902 56.857,903 51.72,904 46.184,905 17.104,906 200.109,908 200.109,909 199.488,910 40.105,913 215.069,914 25.145,917 83.713,918 96.233,919 19.542,921 215.069,922 115.873,923 108.76,926 200.109,927 43.506,928 71.502,929 34.796,930 89.788,931 200.109,932 130.833,933 108.76,935 0.599,936 0.361,937 0.201,938 0.108,939 27,940 12,941 0.037,942 2,943 2,944 1.16,945 4.005,946 275.871,947 0.16,948 25,949 136.881,954 18.311,955 6.954,956 3.117,957 1.536,958 114.047,959 10.484,960 4.596,961 3.155,964 1.505,966 67.693,967 439.701,968 43,973 12.657,977 -0.168,980 50.52,981 56.861,983 0.291,984 0.691,985 0.815,986 0.898,987 0.905,988 0.905,989 5.063,990 1.676,991 6.009,992 5.143,993 4.595,994 5.127,995 1.641,996 6.882,997 4.513,998 6.295,999 1.526,1000 7.607,1001 4.751,1002 4.29,1003 5.056,1004 0.57,1005 7.883,1006 4.163,1007 7.631,1008 1.38,1009 9.304,1010 4.417,1011 6.252,1012 7.387,1013 1.488,1014 11.026,1015 6.098,1016 9.002,1017 1.179,1018 11.057,1019 3.83,1020 6.746,1021 8.139,1022 0.479,1023 12.854,1024 6.557,1025 10.406,1026 1,1027 12.847,1028 2.795,1029 8.203,1030 9.969,1031 1.47,1032 15.525,1033 7.989,1034 11.834,1035 0.433,1036 14.664,1037 2.275,1038 9.062,1039 11.106,1040 0.346,1041 17.7,1042 8.82,1043 13.28,1044 0.076,1045 16.5,1046 1.12,1047 10.328,1048 12.733,1049 1.501,1050 20.213,1051 10.062,1052 3.315,1053 -0.092,1054 18.351,1055 0.213,1056 11.355,1057 14.053,1058 0.237,1059 22.539,1060 11.065,1061 3.039,1062 11.831,1063 20.214,1064 -0.243,1065 12.551,1066 15.595,1067 1.556,1068 25.002,1069 12.238,1070 2.798,1071 10.011,1072 22.088,1073 4.499,1074 13.654,1075 17.001,1076 0.158,1077 27.396,1078 13.32,1079 2.576,1080 9.293,1081 23.969,1082 4.229,1083 14.827,1084 18.508,1085 1.626,1086 29.847,1087 14.472,1088 2.272,1089 8.506,1090 25.857,1091 3.582,1092 15.967,1093 19.955,1094 0.104,1095 32.273,1096 15.591,1097 2.103,1098 6.296,1099 27.751,1100 3.213,1101 17.137,1102 21.448,1103 1.706,1104 34.725,1105 16.739,1106 1.774,1107 6.089,1108 29.651,1109 2.657,1110 18.295,1111 22.915,1112 0.068,1113 37.169,1114 17.877,1115 10284,1116 16738,1117 22.194,1118 33.517,1119 51.138,1120 51.771,1121 52.791,1122 50.383,1123 50.292,1124 65.019,1125 5.317,1126 153.142,1127 48.149,1128 5.69,1129 5.682,1130 6.531,1131 5.36,1132 5.315,1133 7.499,1134 2.117,1135 19.431,1136 5.24,1137 13.884,1138 1.55,1139 1.569,1140 1.6,1141 1.527,1142 1.524,1143 1.97,1144 0.161,1145 4.641,1146 1.459,1147 4.142,1148 4.182,1149 4.114,1150 4.023,1151 8.201,1152 4.041,1153 3.966,1154 3.995,1155 3.933,1156 3.88,1157 7.429,1158 3.888,1159 3.807,1160 3.884,1161 3.701,1162 3.604,1163 5.118,1164 3.618,1165 3.546,1166 3.581,1167 3.49,1168 3.428,1169 4.989,1170 3.437,1171 3.311,1172 3.385,1173 3.229,1174 3.088,1175 4.603,1176 3.113,1177 3.132,1178 3.213,1179 3.042,1180 2.941,1181 4.447,1182 2.91,1183 3.111,1184 3.206,1185 2.899,1186 2.878,1187 4.228,1188 2.9,1189 3.081,1190 3.179,1191 2.866,1192 2.855,1193 3.915,1194 2.859,1195 0.142,1196 0.112,1197 0.212,1198 0.13,1199 0.1,1200 4.69,1201 0.136,1202 3.682,1203 0.032,1204 6.995,1205 0.359,1206 4.293,1207 0.098,1208 3.315,1209 4.499,1210 1.058,1211 11.831,1212 3.24,1213 1.959,1214 1.938,1215 2.047,1216 2.078,1217 1.307,1218 2.072,1219 1.938,1220 1.905,1221 2.02,1222 2.066,1223 1.151,1224 2.053,1225 1.716,1226 1.645,1227 1.909,1228 1.915,1229 1.081,1230 1.918,1231 1.568,1232 1.536,1233 1.657,1234 1.735,1235 0.825,1236 1.715,1237 1.206,1238 1.125,1239 1.539,1240 1.489,1241 0.724,1242 1.5,1243 1.153,1244 1.064,1245 1.513,1246 1.418,1247 0.641,1248 1.429,1249 1.131,1250 1.048,1251 1.321,1252 1.376,1253 0.343,1254 1.402,1255 0.997,1256 0.934,1257 1.209,1258 1.35,1259 0.235,1260 1.315,1261 4.205,1263 5.572,1264 2.398,1265 7.14,1266 4.727,1267 8.801,1268 6.843,1269 10.511,1271 2.12,1273 14.324,1275 6.201,1277 3.933,1278 2.702,1282 4.621,1289 32.441,1290 82.206,1291 195.12,1292 229.928,1293 253.438,1294 255.438,1295 255.438,1296 52.812,1297 8.346,1298 94.04,1299 94.04,1300 29,1301 12.897,1302 4.248,1303 3.459,1304 39.68,1305 114,1306 129,1307 0.172,1308 194.856,1309 334.46,1310 467.209,1311 51388,1312 2,1313 20.121,1314 0.694,1315 0.552,1316 19.25,1317 15.998,1318 14.008,1319 0.424,1320 0.289,1321 9.385,1322 13.4,1323 9.199,1324 7.556,1325 13.597,1326 9.547,1327 13.24,1328 0.27,1329 0.153,1330 12.703,1331 7.482,1332 11.645,1333 0.169,1334 0.081,1335 11.245,1336 5.599,1337 10.413,1338 0.108,1339 0.041,1340 9.889,1341 3.943,1342 8.199,1343 0.066,1344 0.022,1345 8.059,1346 2.758,1347 0.269,1348 88.277,1349 0.212,1350 27.297,1351 0.478,1352 164,1353 498.76,1354 181.452,1355 462.218,1356 636.03,1357 432,1358 200,1359 477.716,1360 218.558,1361 479.455,1362 712.37,1363 452,1364 5}
{0 CHEMBL523088,1 2.047,2 11.485,3 3.554,4 12.628,5 123.116,6 10.039,7 0.5,8 4.088,9 4.156,10 4.106,11 3.665,12 5.236,13 3.642,14 4.622,15 4.722,16 4.35,17 4.01,18 6.166,19 4.003,20 4.803,21 4.94,22 4.335,23 4.095,24 6.143,25 4.067,26 4.789,27 4.939,28 4.374,29 4.089,30 6.063,31 4.045,32 4.824,33 4.987,34 4.438,35 4.103,36 6.161,37 4.051,38 4.826,39 4.99,40 4.446,41 4.092,42 6.087,43 4.035,44 4.829,45 4.981,46 4.357,47 3.998,48 6.493,49 3.971,50 4.74,51 4.928,52 4.066,53 3.865,54 6.11,55 3.805,56 0.272,57 0.83,58 9.285,59 5.216,60 35.197,61 4.265,62 0.89,63 1.261,64 22.569,65 9.064,66 100.511,67 8.114,68 1.053,69 1.417,70 22.485,71 9.216,72 116.451,73 7.918,74 0.94,75 1.419,76 26.356,77 10.096,78 83.295,79 10.203,80 1.061,81 1.476,82 29.497,83 10.234,84 91.954,85 9.756,86 1.011,87 1.462,88 33.483,89 10.998,90 118.335,91 10.76,92 1.351,93 1.413,94 31.954,95 9.958,96 195.24,97 9.635,98 1.15,99 1.253,100 26.132,101 8.983,102 134.554,103 9.176,104 55,105 54,106 0.337,107 0.655,108 0.796,109 0.879,110 0.885,111 0.885,112 3.532,113 1.118,114 -2.51,115 -2.53,116 -2.47,118 37.3,123 2,125 1,138 6,140 7,141 1,143 1,146 1,167 1,170 4,171 3,173 5,175 5,178 4,182 6,184 1,186 2,188 1,192 10,195 2,196 2,197 4,203 1,204 6,206 4,211 2,214 1,215 6,218 4,220 2,223 3,227 9,228 2,231 1,233 2,239 5,240 1,243 1,244 1,245 3,247 1,252 4,255 2,260 4,264 1874,265 21.124,266 21.124,267 21.124,268 21.124,269 21.124,270 18.221,271 31.765,272 12.073,273 21.97,274 17.844,275 17.844,276 17.844,277 17.844,278 17.844,279 13.262,280 51.542,281 5.821,282 19.36,283 3.625,284 1.699,285 0.844,286 0.343,287 0.304,288 0.304,289 4.219,290 1,295 809,296 4.416,299 76.318,300 314.608,303 141.317,307 1.805,308 57.525,311 0.5,312 0.67,313 0.67,314 0.2,316 0.5,317 0.5,318 0.43,319 74.833,320 379,321 4.815,322 5.181,323 7.123,324 4.214,325 3.336,326 4.677,327 2.95,328 11.733,329 2.964,330 4.639,331 4.311,332 6.684,333 4.082,334 3.145,335 4.438,336 1.392,337 10.781,338 2.93,339 4.489,340 3.486,341 6.456,342 4.056,343 3.129,344 4.173,345 0.532,346 10.198,347 2.828,348 4.118,349 2.969,350 5.742,351 3.669,352 2.743,353 3.716,354 0.4,355 8.154,356 2.528,357 3.949,358 2.914,359 5.636,360 3.469,361 2.519,362 3.547,363 0.4,364 7.586,365 2.374,366 3.625,367 2.73,368 5.448,369 3.228,370 2.322,371 2.947,373 7.091,374 2.079,375 3.41,376 2.439,377 5.069,378 3.011,379 2.08,380 2.685,382 6.156,383 1.916,384 3.178,385 2.301,386 4.758,387 2.74,388 1.801,389 2.418,391 5.261,392 1.67,393 3.037,394 2.091,395 4.612,396 2.601,397 1.655,398 2.237,400 4.635,401 1.55,402 2.913,403 1.908,404 4.464,405 2.377,406 1.412,407 2.059,409 4.264,410 1.352,411 2.663,412 1.798,413 3.622,414 2.143,415 1.199,416 1.738,417 2.677,418 1.123,419 2.236,420 1.294,421 3.485,422 2.096,423 1.126,424 1.218,425 2.514,426 1.075,427 1.788,428 1.115,429 3.417,430 1.555,431 0.659,432 0.721,433 1.779,434 0.584,435 1.522,436 0.786,437 3.136,438 1.141,439 0.274,440 0.329,441 0.651,442 0.212,443 1.298,444 0.774,445 2.979,446 0.94,451 15.881,452 0.481,453 1.282,454 0.039,455 49,456 1.485,457 26.5,458 0.803,459 22.5,460 0.682,461 25.752,462 0.78,463 36.319,464 0.712,465 41.052,466 1.244,467 9.269,468 0.281,469 6.208,470 0.188,471 0.192,472 0.105,473 0.283,478 0.673,479 1.433,480 0.743,481 1.266,482 0.715,483 0.874,484 0.79,485 1.093,486 0.996,487 1.098,488 0.556,489 0.87,490 1.306,491 1.071,492 1.011,493 0.848,494 1.33,495 0.992,496 0.89,497 1.142,498 0.937,499 1.023,500 0.796,501 1.038,502 0.861,503 1.031,504 0.861,505 0.877,506 0.83,507 0.951,508 0.888,509 1.109,510 1.018,511 1.107,512 1.026,513 0.989,514 0.838,515 1.079,516 1.047,517 1.08,518 0.803,519 1.024,520 1.079,521 0.889,522 0.874,523 0.776,524 1.259,525 0.99,526 10.5,527 0.242,528 3.333,529 2.813,530 2.138,531 1.347,532 1.126,533 0.531,534 0.403,535 0.285,536 15063,537 60022,538 2.011,539 35.3,541 12,542 2,543 1,544 3,549 1.754,550 1.833,551 3.477,552 1.012,558 104.405,559 2.047,560 3.973,561 4.829,562 5.329,563 5.368,564 5.368,565 2.821,566 4.476,567 5.022,568 3.717,569 1962.43,570 8.8,571 29735.5,576 289.294,577 1.748,578 4.937,579 0.292,580 0.008,581 0.062,582 0.056,583 0.043,584 0.027,585 0.023,586 0.011,587 0.011,588 0.009,589 0.542,590 0.33,591 0.75,592 1.025,593 175.093,594 -0.012,595 -0.203,596 0.162,597 -0.12,598 -0.188,599 0.022,600 0.14,601 0.015,602 -0.109,603 -0.063,604 0.28,605 0.025,606 -0.341,607 -0.034,608 -0.204,609 0.012,610 -0.286,611 -0.115,612 -0.042,613 -0.136,614 -0.026,615 -0.098,616 -0.049,617 -0.074,618 -0.005,619 0.021,620 0.04,621 0.04,622 -0.02,623 -0.011,624 -0.013,625 -0.085,626 0.038,627 -0.076,628 -0.129,629 0.013,630 0.189,631 -0.041,632 -0.093,633 -0.109,634 0.351,635 -0.093,636 -0.082,637 0.065,638 -0.043,639 0.08,640 -0.136,641 -0.025,642 4.545,643 5.057,644 0.636,645 32.206,646 1.042,647 1.126,648 1.275,649 1.626,650 0.711,651 3.611,652 4.007,653 4.174,654 4.466,655 4.682,656 4.779,657 4.92,658 4.97,659 5.004,660 5.056,661 7.354,662 0.692,663 512.01,664 3.611,665 5.198,666 6.033,667 6.942,668 7.797,669 8.703,670 9.567,671 10.469,672 11.34,673 12.239,674 9.8,679 1,682 2,684 2,690 7,691 2,695 9,697 18,709 2,714 2,715 1,716 51,718 22,719 2,720 36,722 54,723 19,724 16,725 7,726 5,728 4,729 5,730 1,740 16,741 3,744 4,747 2,749 4,760 18,761 11,762 3,763 14,764 3,769 5,775 0.75,776 6,788 1,793 1,794 3,797 1,819 3,821 2,823 2,824 1,827 33,830 1,831 1,833 1,834 3,835 2,849 1,850 11.8,853 4,855 2,858 18,859 9.71,860 6.792,861 2.502,863 3.784,864 1.471,865 1.006,866 6.506,867 11.809,868 3.912,869 4.61,870 5.009,871 5.591,872 6.131,873 6.368,874 6.759,875 7.044,876 7.371,877 7.68,878 1,879 50,880 12.605,881 5.939,882 8.195,883 22.367,884 18.538,885 2.695,886 88.944,890 176.567,891 126.825,892 85.998,893 39.149,894 110.626,896 11.853,897 114.971,898 326.341,899 85.998,900 14.381,901 6.65,902 68.711,903 150.373,904 90.877,905 27.769,906 141.253,907 39.149,908 176.567,909 200.969,910 110.626,911 51.002,913 176.567,914 110.626,917 53.618,918 97.375,919 100.978,921 176.567,922 196.623,923 165.973,925 11.853,926 176.567,927 34.686,928 80.286,929 52.426,930 183.345,931 176.567,932 196.623,933 165.973,935 0.605,936 0.314,937 0.168,938 0.095,939 27,940 13,941 0.13,942 7,943 1,944 1.095,945 4.243,946 308.474,947 0.095,948 21,949 162.465,953 2,954 23.695,955 9.061,956 5.918,958 196.623,959 10.414,960 8.478,964 2.587,966 52.426,967 539.163,968 49,971 -7.252,973 47.341,980 53.135,981 57.438,983 0.361,984 0.7,985 0.851,986 0.939,987 0.946,988 0.946,989 5.19,990 1.801,991 6.103,992 6.156,993 4.691,994 5.298,995 3.156,996 6.969,997 4.53,998 6.478,999 1.655,1000 7.706,1001 5.261,1002 4.635,1003 5.585,1005 8.199,1006 4.324,1007 7.866,1008 1.412,1009 9.416,1010 4.635,1011 6.425,1012 7.687,1013 5.077,1014 11.152,1015 6.088,1016 9.288,1017 1.199,1018 11.187,1019 4.264,1020 7.083,1021 8.683,1023 13.111,1024 6.583,1025 10.738,1026 1.126,1027 12.998,1028 2.677,1029 8.459,1030 10.391,1031 7.196,1032 15.689,1033 7.923,1034 12.208,1035 0.659,1036 14.836,1037 2.514,1038 9.409,1039 11.671,1041 17.927,1042 8.722,1043 13.693,1044 0.274,1045 16.693,1046 1.779,1047 10.644,1048 13.249,1049 9.35,1050 20.394,1051 9.899,1052 3.336,1054 18.565,1055 0.651,1056 11.719,1057 14.651,1059 22.743,1060 10.838,1061 3.145,1062 11.733,1063 20.449,1065 12.906,1066 16.183,1067 11.512,1068 25.179,1069 11.947,1070 3.129,1071 10.781,1072 22.343,1073 4.677,1074 14.034,1075 17.641,1077 27.574,1078 12.953,1079 2.743,1080 10.198,1081 24.245,1082 4.438,1083 15.207,1084 19.158,1085 13.675,1086 30.004,1087 14.035,1088 2.519,1089 8.154,1090 26.153,1091 4.173,1092 16.36,1093 20.644,1095 32.42,1096 15.073,1097 2.322,1098 7.586,1099 28.068,1100 3.716,1101 17.531,1102 22.157,1103 15.838,1104 34.851,1105 16.145,1106 2.08,1107 7.091,1108 29.987,1109 3.547,1110 18.696,1111 23.659,1113 37.278,1114 17.199,1115 14504,1116 29135,1117 23.057,1118 36.239,1119 54.656,1120 59.44,1121 55.302,1122 54.976,1123 54.801,1124 73.804,1125 11.346,1126 166.964,1127 50.37,1128 5.673,1129 7.181,1130 6.674,1131 5.296,1132 5.336,1133 7.677,1134 5.9,1135 18.89,1136 4.964,1137 20.425,1138 1.518,1139 1.651,1140 1.536,1141 1.527,1142 1.522,1143 2.05,1144 0.315,1145 4.638,1146 1.399,1147 4.112,1148 4.1,1149 4.747,1150 4.107,1151 7.721,1152 4.013,1153 3.976,1154 3.987,1155 4.702,1156 3.909,1157 7.713,1158 3.879,1159 3.923,1160 3.867,1161 4.054,1162 3.869,1163 6.999,1164 3.746,1165 3.808,1166 3.843,1167 3.823,1168 3.648,1169 6.999,1170 3.658,1171 3.609,1172 3.609,1173 3.659,1174 3.534,1175 5.087,1176 3.48,1177 3.305,1178 3.325,1179 3.495,1180 3.05,1181 4.982,1182 3.082,1183 3.102,1184 3.179,1185 3.028,1186 2.894,1187 4.711,1188 2.914,1189 2.984,1190 3.061,1191 2.923,1192 2.803,1193 4.676,1194 2.811,1195 0.134,1196 0.144,1197 0.198,1198 0.117,1199 0.093,1200 4.815,1201 0.13,1202 5.181,1203 0.082,1204 7.123,1205 0.326,1206 4.214,1207 0.082,1208 3.336,1209 4.677,1210 2.95,1211 11.733,1212 2.964,1213 1.988,1214 2,1215 1.98,1216 2.071,1217 1.234,1218 2.1,1219 1.865,1220 1.848,1221 1.912,1222 1.987,1223 1.057,1224 1.976,1225 1.708,1226 1.749,1227 1.783,1228 1.864,1229 0.972,1230 1.913,1231 1.702,1232 1.669,1233 1.612,1234 1.825,1235 0.827,1236 1.854,1237 1.508,1238 1.513,1239 1.575,1240 1.646,1241 0.761,1242 1.694,1243 1.165,1244 1.132,1245 1.435,1246 1.521,1247 0.578,1248 1.486,1249 1.02,1250 0.949,1251 1.226,1252 1.284,1253 0.282,1254 1.278,1255 0.891,1256 0.814,1257 1.129,1258 1.165,1259 0.22,1260 1.168,1261 4.29,1263 5.666,1264 2.398,1265 7.204,1266 4.595,1267 8.819,1268 6.605,1269 10.476,1271 1.983,1272 6.288,1277 0.071,1278 8.215,1279 10.82,1289 35.285,1290 104.405,1291 202.623,1292 246.274,1293 271.784,1294 273.784,1295 273.784,1296 80.943,1297 8.026,1298 148.61,1299 165.37,1300 23,1301 12.767,1302 4.524,1303 3.807,1304 54.303,1305 148,1306 109,1307 0.178,1308 225.648,1309 391.33,1310 542.342,1311 37666,1312 2,1313 23.803,1314 0.721,1315 0.596,1316 24.803,1317 19.676,1318 15.476,1319 0.43,1320 0.373,1321 9.42,1322 12.882,1323 8.804,1324 7.283,1325 17.586,1326 13.421,1327 16.21,1328 0.3,1329 0.208,1330 19.351,1331 11.236,1332 11.183,1333 0.175,1334 0.099,1335 12.722,1336 6.305,1337 9.692,1338 0.113,1339 0.051,1340 11.003,1341 4.393,1342 7.776,1343 0.073,1344 0.029,1345 9.068,1346 3.053,1347 0.281,1348 120.121,1349 0.208,1350 30.561,1351 0.485,1352 180,1353 676.626,1354 284.117,1355 709.34,1356 932.79,1357 648,1358 208,1359 608.36,1360 320.386,1361 684.705,1362 984.92,1363 633,1364 5.687}
{0 CHEMBL523744,1 1.905,2 12.171,3 3.878,4 15.035,5 132.864,6 8.949,7 0.462,8 4.211,9 4.305,10 4.04,11 3.713,12 5.308,13 3.717,14 4.767,15 4.903,16 4.333,17 4.081,18 6.076,19 4.082,20 4.955,21 5.136,22 4.334,23 4.203,24 6.081,25 4.164,26 4.939,27 5.127,28 4.348,29 4.228,30 6.032,31 4.157,32 4.998,33 5.201,34 4.396,35 4.228,36 6.105,37 4.173,38 4.988,39 5.189,40 4.386,41 4.216,42 6.13,43 4.155,44 4.99,45 5.185,46 4.361,47 4.175,48 6.124,49 4.117,50 5.006,51 5.216,52 4.252,53 4.11,54 6.213,55 4.044,56 0.231,57 0.923,58 11.557,59 5.207,60 21.403,61 5.536,62 0.878,63 1.423,64 25.169,65 8.982,66 73.261,67 9.686,68 0.985,69 1.63,70 29.98,71 9.851,72 76.713,73 11.557,74 0.773,75 1.636,76 33.088,77 11.955,78 49.524,79 14.612,80 0.923,81 1.699,82 33.711,83 10.79,84 70.889,85 13.7,86 0.943,87 1.702,88 36.803,89 11.736,90 61.008,91 14.515,92 1.029,93 1.704,94 37.648,95 10.64,96 81.261,97 12.607,98 1.195,99 1.61,100 40.481,101 11.757,102 122.068,103 13.798,104 19,105 56,106 0.308,107 0.64,108 0.799,109 0.853,110 0.866,111 0.866,112 3.589,113 1.001,114 -2.49,115 -2.52,116 -2.46,118 37.9,123 1,124 4,125 1,138 6,140 7,141 1,143 1,146 1,167 1,170 3,171 5,173 5,175 5,178 4,181 1,182 2,184 1,186 2,188 1,192 11,195 4,196 2,197 4,203 1,204 6,211 2,214 5,215 6,218 4,220 2,223 3,227 1,228 3,231 3,233 2,239 5,240 2,243 2,244 1,245 3,247 1,251 4,252 2,260 4,264 2245,265 23.427,266 23.427,267 23.427,268 23.427,269 23.427,270 20.851,271 39.068,272 13.789,273 24.299,274 19.358,275 19.358,276 19.358,277 19.358,278 19.358,279 15.313,280 67.078,281 6.659,282 20.858,283 3.953,284 1.897,285 0.914,286 0.578,287 0.496,288 0.496,289 4.294,290 1,295 935,296 3.742,299 81.075,300 442.76,303 149.905,307 1.824,308 44.292,311 0.5,312 0.67,313 0.67,314 0.6,316 0.67,317 1,318 0.59,319 78.333,320 426,321 4.647,322 4.311,323 6.684,324 4.093,325 3.154,326 4.444,327 1.392,328 10.781,329 2.951,330 4.489,331 3.486,332 6.464,333 4.082,334 3.144,335 4.173,336 0.86,337 10.23,338 2.93,339 4.257,340 3.172,341 6.197,342 3.871,343 2.924,344 3.874,345 0.8,346 9.321,347 2.76,348 4.052,349 2.945,350 5.721,351 3.621,352 2.7,353 3.645,354 0.532,355 8.029,356 2.485,357 3.67,358 2.848,359 5.607,360 3.381,361 2.442,362 2.953,363 0.4,364 7.426,365 2.288,366 3.607,367 2.628,368 5.399,369 3.219,370 2.312,371 2.864,372 0.4,373 6.99,374 2.073,375 3.4,376 2.364,377 5.062,378 3.009,379 2.078,380 2.665,382 6.137,383 1.915,384 3.175,385 2.233,386 4.755,387 2.744,388 1.805,389 2.413,391 5.249,392 1.674,393 3.034,394 2.091,395 4.611,396 2.641,397 1.72,398 2.232,400 4.633,401 1.574,402 2.883,403 1.913,404 4.361,405 2.587,406 1.646,407 1.933,409 4.251,410 1.536,411 2.664,412 1.8,413 3.622,414 2.145,415 1.204,416 1.739,417 2.686,418 1.125,419 2.236,420 1.414,421 3.495,422 2.096,423 1.126,424 1.218,425 2.608,426 1.075,427 2.203,428 1.284,429 3.483,430 1.964,431 1.07,432 1.18,433 2.513,434 0.947,435 2,436 1.256,437 3.417,438 1.952,439 1,440 1,441 2.136,442 0.946,443 1.788,444 1.114,445 3.247,446 1.555,447 0.659,448 0.721,449 1.779,450 0.584,451 16.614,452 0.475,453 1.007,454 0.029,455 48.75,456 1.393,457 24,458 0.686,459 24.75,460 0.707,461 29.42,462 0.841,463 38.586,464 0.665,465 39.735,466 1.135,467 9.458,468 0.27,469 7.379,470 0.211,471 0.113,472 0.05,473 0.295,478 0.788,479 1.547,480 0.679,481 1.237,482 0.709,483 0.923,484 1.002,485 1.109,486 0.917,487 0.99,488 0.597,489 0.871,490 1.178,491 1.013,492 0.931,493 0.789,494 1.208,495 0.941,496 0.64,497 1.099,498 0.922,499 1.1,500 0.515,501 1.077,502 0.844,503 1.078,504 0.784,505 0.892,506 0.896,507 0.941,508 0.726,509 1.064,510 0.958,511 0.995,512 0.644,513 0.966,514 0.982,515 1.14,516 1.103,517 1.126,518 1.107,519 1.05,520 1.044,521 0.982,522 1.012,523 0.999,524 1.416,525 0.969,526 8.5,527 0.209,528 2.889,529 2.5,530 1.791,531 1.243,532 0.881,533 0.618,534 0.386,535 0.288,536 18810,537 62141,538 2.116,539 39.7,541 17,542 2,543 1,544 3,549 1.77,550 1.991,551 3.539,552 0.933,558 110.494,559 1.905,560 3.961,561 4.944,562 5.28,563 5.362,564 5.362,565 2.875,566 4.708,567 5.105,568 3.78,569 2249.35,570 8.975,571 35673.7,576 339.763,577 1.482,578 5.06,579 0.218,580 0.006,581 0.052,582 0.047,583 0.034,584 0.023,585 0.016,586 0.012,587 0.008,588 0.007,589 0.424,590 0.33,591 0.63,592 0.797,593 189.302,594 -0.047,595 -0.303,596 0.129,597 -0.151,598 -0.154,599 -0.011,600 0.038,601 0.01,602 -0.066,603 -0.002,604 0.251,605 0.024,606 -0.226,607 0.039,608 -0.11,609 0.079,610 -0.218,611 -0.03,612 0.097,613 -0.073,614 0.008,615 -0.113,616 0.095,617 -0.069,618 -0.034,619 -0.055,620 0.082,621 0.02,622 -0.063,623 0.031,624 0.093,625 -0.026,626 0.021,627 -0.021,628 0.098,629 0.016,630 -0.07,631 -0.051,632 -0.106,633 -0.109,634 -0.118,635 -0.104,636 -0.017,637 0.009,638 -0.04,640 -0.057,641 0.006,642 4.378,643 4.856,644 0.771,645 37.11,646 1.028,647 1.132,648 1.261,649 1.59,650 0.684,651 3.689,652 4.043,653 4.263,654 4.575,655 4.787,656 4.89,657 5.024,658 5.182,659 5.209,660 5.308,661 7.663,662 0.663,663 519.03,664 3.689,665 5.252,666 6.094,667 6.987,668 7.844,669 8.74,670 9.604,671 10.501,672 11.369,673 12.265,674 10.3,679 1,680 1,682 2,684 2,690 7,691 2,695 9,697 18,709 2,711 1,714 2,715 1,716 58,718 20,719 2,720 39,722 62,723 22,724 16,725 7,726 5,728 5,729 6,730 1,740 16,741 6,744 2,747 1,749 2,760 23,761 11,762 3,763 13,764 2,769 6,775 0.8,776 5,788 1,793 1,794 4,797 1,818 1,819 4,821 1,823 1,824 1,827 35,831 1,833 5,834 3,835 3,838 1,849 1,850 8.6,853 2,854 1,855 2,858 17.583,859 10.576,860 7.403,861 3.155,863 3.673,864 1.439,865 1.009,866 7.085,867 12.039,868 3.932,869 4.559,870 5.002,871 5.592,872 6.107,873 6.36,874 6.683,875 7.117,876 7.369,877 7.736,878 0.875,879 53,880 13.099,881 5.822,882 7.887,883 24.367,884 20.109,885 2.387,886 83.528,890 235.422,891 128.191,892 89.122,893 39.149,894 77.313,896 5.807,897 122.383,898 351.883,899 89.122,900 7.19,901 20.046,902 62.665,903 117.06,904 95.207,905 27.769,906 200.109,907 39.149,908 235.422,909 211.505,910 77.313,911 44.956,913 235.422,914 66.313,915 11,917 67.014,918 94.515,919 94.932,921 235.422,922 166.434,923 167.339,925 5.807,926 235.422,927 49.288,928 76.22,929 52.426,930 150.032,931 235.422,932 166.434,933 167.339,935 0.588,936 0.319,937 0.181,938 0.099,939 28,940 12,941 0.113,942 7,943 1,944 1.074,945 4.545,946 338.897,947 0.074,948 27,949 173.525,953 1,954 24.212,955 10.242,956 6.019,958 166.434,959 12.119,960 8.81,964 4.785,966 52.426,967 569.196,968 50,971 -3.462,973 23.713,980 59.6,981 65.638,983 0.325,984 0.676,985 0.844,986 0.901,987 0.915,988 0.915,989 5.196,990 1.805,991 6.107,992 6.137,993 4.727,994 5.247,995 2.142,996 6.929,997 4.584,998 6.423,999 1.72,1000 7.669,1001 5.249,1002 4.443,1003 5.301,1004 0.325,1005 7.947,1006 4.202,1007 7.763,1008 1.646,1009 9.332,1010 4.633,1011 6.372,1012 7.505,1013 2.334,1014 10.955,1015 6.097,1016 9.137,1017 1.204,1018 11.053,1019 4.251,1020 6.858,1021 8.322,1022 0.268,1023 12.746,1024 6.484,1025 10.543,1026 1.126,1027 12.811,1028 2.686,1029 8.297,1030 10.076,1031 2.813,1032 15.313,1033 7.89,1034 11.97,1035 1.07,1036 14.595,1037 2.608,1038 9.128,1039 11.224,1040 0.188,1041 17.418,1042 8.63,1043 13.413,1044 1,1045 16.396,1046 2.513,1047 10.377,1048 12.807,1049 3.398,1050 19.837,1051 9.836,1052 3.154,1053 0.659,1054 18.211,1055 2.136,1056 11.369,1057 14.111,1058 0.125,1059 22.078,1060 10.745,1061 3.144,1062 10.781,1063 20.037,1064 1.779,1065 12.541,1066 15.623,1067 4.025,1068 24.448,1069 11.866,1070 2.924,1071 10.23,1072 21.871,1073 4.444,1074 13.607,1075 17.004,1076 0.082,1077 26.748,1078 12.856,1079 2.7,1080 9.321,1081 23.712,1082 4.173,1083 14.751,1084 18.486,1085 4.671,1086 29.103,1087 13.941,1088 2.442,1089 8.029,1090 25.559,1091 3.874,1092 15.852,1093 19.907,1094 0.054,1095 31.431,1096 14.97,1097 2.312,1098 7.426,1099 27.411,1100 3.645,1101 16.987,1102 21.378,1103 5.325,1104 33.783,1105 16.043,1106 2.078,1107 6.99,1108 29.267,1109 2.953,1110 18.105,1111 22.821,1112 0.035,1113 36.126,1114 17.091,1115 17532,1116 32090,1117 26.235,1118 39.665,1119 58.258,1120 61.531,1121 58.901,1122 58.609,1123 58.514,1124 74.767,1125 8.766,1126 170.843,1127 54.152,1128 5.647,1129 6.311,1130 6.486,1131 5.196,1132 5.154,1133 7.444,1134 2.783,1135 17.937,1136 4.951,1137 16.133,1138 1.494,1139 1.578,1140 1.51,1141 1.503,1142 1.5,1143 1.917,1144 0.225,1145 4.381,1146 1.389,1147 4.055,1148 4.074,1149 4.716,1150 3.982,1151 7.718,1152 3.933,1153 3.969,1154 3.978,1155 4.056,1156 3.869,1157 6.999,1158 3.868,1159 3.865,1160 3.858,1161 3.905,1162 3.785,1163 5.088,1164 3.701,1165 3.787,1166 3.832,1167 3.751,1168 3.613,1169 4.984,1170 3.634,1171 3.649,1172 3.681,1173 3.552,1174 3.471,1175 4.744,1176 3.478,1177 3.306,1178 3.326,1179 3.495,1180 3.051,1181 4.708,1182 3.082,1183 3.118,1184 3.206,1185 3.043,1186 2.941,1187 4.58,1188 2.929,1189 3.111,1190 3.192,1191 2.924,1192 2.907,1193 4.141,1194 2.91,1195 0.119,1196 0.111,1197 0.171,1198 0.105,1199 0.081,1200 4.647,1201 0.114,1202 4.311,1203 0.036,1204 6.684,1205 0.276,1206 4.093,1207 0.076,1208 3.154,1209 4.444,1210 1.392,1211 10.781,1212 2.951,1213 1.94,1214 1.918,1215 2.022,1216 2.077,1217 1.244,1218 2.076,1219 1.863,1220 1.847,1221 1.917,1222 1.992,1223 1.071,1224 1.976,1225 1.708,1226 1.715,1227 1.851,1228 1.898,1229 1.056,1230 1.926,1231 1.694,1232 1.656,1233 1.777,1234 1.862,1235 0.92,1236 1.863,1237 1.586,1238 1.552,1239 1.603,1240 1.739,1241 0.825,1242 1.77,1243 1.166,1244 1.133,1245 1.513,1246 1.521,1247 0.774,1248 1.486,1249 1.153,1250 1.064,1251 1.435,1252 1.376,1253 0.578,1254 1.429,1255 1.031,1256 0.964,1257 1.229,1258 1.296,1259 0.304,1260 1.285,1261 4.369,1263 5.714,1264 2.398,1265 7.235,1266 4.595,1267 8.839,1268 6.605,1269 10.487,1271 1.111,1272 6.362,1277 2.717,1278 8.863,1279 16.384,1282 2.126,1289 38.458,1290 110.494,1291 229.741,1292 286.743,1293 306.253,1294 311.008,1295 311.008,1296 61.947,1297 8.365,1298 126.94,1299 135.32,1300 29,1301 12.796,1302 4.392,1303 3.585,1304 52.098,1305 163,1306 135,1307 0.153,1308 238.699,1309 414.57,1310 574.186,1311 58343,1312 1.7,1313 24.416,1314 0.698,1315 0.581,1316 25.166,1317 20.319,1318 16.837,1319 0.432,1320 0.334,1321 10.701,1322 14.883,1323 10.308,1324 8.453,1325 18.053,1326 13.017,1327 16.305,1328 0.291,1329 0.18,1330 18.059,1331 10.07,1332 12.311,1333 0.176,1334 0.088,1335 13.12,1336 6.172,1337 11.026,1338 0.115,1339 0.047,1340 11.818,1341 4.513,1342 8.733,1343 0.073,1344 0.025,1345 9.426,1346 2.969,1347 0.242,1348 119.919,1349 0.195,1350 32.149,1351 0.416,1352 190,1353 653.675,1354 262.45,1355 662.865,1356 887.65,1357 616,1358 221,1359 605.089,1360 297.154,1361 647.123,1362 942.02,1363 603,1364 6.77}
{0 CHEMBL525191,1 1.571,2 9.36,3 2.407,4 5.796,5 95.753,6 7.777,7 0.607,8 3.887,9 3.997,10 3.491,11 3.444,12 5.086,13 3.433,14 4.376,15 4.534,16 3.818,17 3.851,18 5.433,19 3.817,20 4.601,21 4.805,22 3.851,23 3.954,24 5.622,25 3.889,26 4.61,27 4.801,28 3.855,29 3.935,30 5.719,31 3.874,32 4.636,33 4.853,34 3.777,35 3.9,36 5.678,37 3.828,38 4.539,39 4.74,40 3.71,41 3.879,42 5.524,43 3.791,44 4.612,45 4.842,46 3.659,47 3.849,48 5.599,49 3.744,50 4.589,51 4.841,52 3.498,53 3.676,54 5.628,55 3.571,56 0.128,57 0.648,58 8.273,59 3.802,60 17.434,61 4.705,62 0.141,63 1.043,64 14.684,65 6.079,66 19.042,67 7.92,68 0.259,69 1.235,70 20.378,71 7.795,72 29.015,73 10.613,74 0.239,75 1.236,76 20.176,77 7.747,78 35.055,79 10.37,80 0.304,81 1.234,82 22.102,83 7.93,84 38.06,85 10.684,86 0.178,87 1.135,88 18.979,89 7.899,90 23.238,91 10.631,92 0.158,93 1.179,94 21.549,95 8.453,96 27.666,97 11.768,98 0.338,99 1.09,100 22.914,101 7.773,102 45.313,103 10.679,104 10,105 39,106 0.271,107 0.641,108 0.81,109 0.864,110 0.872,111 0.872,112 3.268,113 0.882,114 -3.29,115 -3.28,116 -3.14,118 44.2,120 2,124 2,138 5,139 5,141 2,142 1,147 1,152 1,161 1,163 1,167 11,171 7,178 14,182 9,184 1,186 2,188 12,192 8,195 1,197 3,199 9,203 1,204 6,208 3,211 7,214 1,215 6,220 3,223 6,228 4,233 5,235 5,239 2,240 3,245 2,247 2,252 4,255 3,257 3,264 939,265 17.533,266 17.533,267 17.533,268 17.533,269 17.533,270 15.205,271 10.747,272 10.464,273 17.81,274 13.767,275 13.767,276 13.767,277 13.767,278 13.767,279 10.404,280 8.152,281 4.819,282 14.159,283 3.855,284 1.712,285 0.735,286 0.419,287 0.372,288 0.372,289 3.968,292 1,293 1,294 1,295 510,296 2.646,299 119.434,300 132.364,303 94.583,307 1.414,308 19.209,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 54,320 234,321 4.565,322 3.778,323 6.739,324 4.192,325 3.205,326 4.287,327 1.869,328 11.05,329 3.165,330 4.378,331 3.217,332 6.521,333 4.019,334 3.032,335 3.985,337 10.25,338 2.992,339 3.852,340 3.053,341 5.762,342 3.454,343 2.464,344 3.367,346 7.804,347 2.441,348 3.676,349 2.481,350 5.311,351 3.275,352 2.32,353 3.068,355 6.828,356 2.21,357 3.301,358 2.431,359 5.079,360 2.871,361 1.897,362 2.516,364 5.756,365 1.845,366 3.087,367 2.061,368 4.533,369 2.633,370 1.675,371 2.302,373 4.321,374 1.604,375 2.833,376 1.757,377 4.195,378 2.437,379 1.451,380 1.951,382 3.721,383 1.429,384 2.623,385 1.544,386 3.925,387 2.178,388 1.223,389 1.66,391 3.009,392 1.164,393 2.5,394 1.473,395 3.463,396 1.984,397 1,398 1.5,400 2.219,401 0.983,402 2.272,403 1.126,404 3.247,405 1.879,406 0.938,407 1.163,409 2.136,410 0.874,411 2.089,412 1,413 3.242,414 1.746,415 0.789,416 1.052,417 1.67,418 0.752,419 1.944,420 0.801,421 3.122,422 1.722,423 0.74,424 0.858,425 1.602,426 0.727,427 1.422,428 0.701,429 2.731,430 1.243,431 0.246,432 0.274,433 0.393,434 0.245,435 0.82,436 -0.045,437 2.558,438 0.474,439 -0.419,440 -0.458,441 -0.698,442 -0.37,443 0.744,444 -0.169,445 2.323,446 0.453,447 -0.53,448 -0.68,449 -1.344,450 -0.52,451 11.767,452 0.471,453 0.462,454 0.018,455 33.5,456 1.34,457 17.5,458 0.7,459 16,460 0.64,461 18.479,462 0.739,463 26.033,464 0.605,465 23.883,466 0.955,467 6.764,468 0.271,469 5.532,470 0.221,471 0.057,473 0.331,478 0.777,479 1.047,480 0.762,481 0.91,482 0.854,483 0.857,484 0.846,485 1.093,486 0.878,487 0.927,488 0.698,489 0.903,490 0.765,491 0.989,492 0.925,493 0.934,494 0.707,495 0.944,496 0.886,497 1.156,498 1.012,499 1.108,500 0.809,501 1.081,502 1.035,503 0.948,504 1.03,505 0.951,506 0.931,507 0.977,508 0.681,509 1.081,510 0.994,511 1.145,512 0.685,513 1.13,514 0.645,515 1.179,516 0.967,517 1.215,518 0.583,519 1.156,520 1.092,521 0.916,522 1.061,523 1.031,524 1.112,525 1.04,526 4,527 0.061,528 2.667,529 1.764,530 1.429,531 0.771,532 0.42,533 0.323,534 0.268,535 0.166,536 6854,537 19534,538 2.154,539 41.9,540 2,541 9,542 1,543 2,544 2,545 2,549 1.686,550 2.055,551 3.21,552 0.273,553 1,554 1,556 1,558 67.56,559 1.571,560 3.714,561 4.691,562 5.008,563 5.054,564 5.054,565 2.695,566 4.484,567 4.611,568 3.343,569 1002.81,570 8.007,571 11865.8,573 1,575 1,576 233.329,577 1.26,578 4.592,579 0.143,580 0.006,581 0.068,582 0.045,583 0.038,584 0.022,585 0.013,586 0.011,587 0.011,588 0.01,589 0.367,590 0.33,591 1,592 0.955,593 118.82,594 0.079,595 0.08,596 0.035,597 0.097,598 -0.018,599 0.054,600 -0.129,601 0.006,602 -0.038,603 0.064,604 -0.085,605 0.036,606 -0.03,607 0.043,608 -0.014,609 0.053,610 -0.055,611 0.03,612 -0.041,613 -0.125,614 -0.101,615 -0.128,616 -0.01,617 -0.125,618 -0.12,619 0.056,620 -0.072,621 0.02,622 -0.073,623 -0.009,624 -0.009,625 -0.094,626 -0.091,627 -0.128,628 -0.052,629 -0.127,630 0.029,631 -0.231,632 -0.019,633 -0.207,634 0.061,635 -0.134,636 -0.04,637 0.007,638 -0.023,639 -0.062,640 -0.029,641 -0.043,642 1.461,643 3.236,644 0.8,645 21.267,646 1.006,647 1.124,648 2.064,649 4.26,650 0.681,651 3.367,652 3.689,653 4.025,654 4.344,655 4.554,656 4.691,657 4.875,658 5.024,659 5.1,660 5.159,661 5.622,662 0.656,663 334.41,664 3.367,665 4.905,666 5.778,667 6.671,668 7.565,669 8.468,670 9.371,671 10.278,672 11.185,673 12.094,674 9.3,682 1,683 1,684 2,690 8,691 2,695 6,696 1,697 17,701 1,716 43,718 18,719 1,720 28,722 46,723 19,724 14,725 3,726 3,727 1,728 4,729 5,732 1,735 2,738 2,740 15,741 4,744 1,752 1,753 1,756 1,757 1,760 18,761 5,762 2,763 6,769 4,775 0.75,776 2,777 1,785 1,787 1,793 2,794 2,797 1,817 2,819 3,827 25,832 2,833 4,850 4.7,851 1,855 1,858 12.167,859 7.617,860 5.639,861 2.559,863 3.366,864 1.45,865 0.969,866 4.244,867 10.852,868 3.651,869 4.266,870 4.904,871 5.532,872 6.053,873 6.418,874 6.901,875 7.328,876 7.701,877 8.003,878 1,879 39,880 9.181,881 3.924,882 7.767,883 17.601,884 14.698,885 2.267,886 56.667,889 1,890 188.338,891 103.14,892 48.473,894 85.489,897 103.14,898 273.827,899 48.473,901 7.175,902 99.112,903 59.747,904 94.609,905 11.771,906 153.024,908 188.338,909 151.612,910 85.489,913 188.338,914 42.806,915 42.683,917 43.05,918 75.113,919 33.449,921 188.338,922 133.962,923 103.14,926 188.338,927 28.616,928 76.3,930 132.185,931 188.338,932 133.962,933 103.14,935 0.568,936 0.347,937 0.204,938 0.11,939 20,940 8,941 0.087,942 4,943 1,944 1.1,945 3.702,946 216.176,947 0.1,948 20,949 112.096,954 15.854,955 6.692,956 2.917,958 132.185,959 15.487,960 8.706,964 6.121,965 1.763,966 85.489,967 425.439,968 37.5,976 3.39,977 0.742,980 43.247,981 48.318,983 0.29,984 0.685,985 0.865,986 0.923,987 0.931,988 0.931,989 4.877,990 1.223,991 5.753,992 3.721,993 4.369,994 4.952,995 2.077,996 6.594,997 4.323,998 6.085,999 1,1000 7.322,1001 3.009,1002 3.892,1003 4.677,1005 7.545,1006 3.843,1007 7.398,1008 0.938,1009 8.995,1010 2.219,1011 5.979,1012 7.162,1013 3.234,1014 10.686,1015 5.904,1016 8.752,1017 0.789,1018 10.731,1019 2.136,1020 6.399,1021 7.769,1023 12.499,1024 6.324,1025 10.141,1026 0.74,1027 12.509,1028 1.67,1029 7.904,1030 9.664,1031 4.456,1032 15.137,1033 7.807,1034 11.555,1035 0.246,1036 14.314,1037 1.602,1038 8.726,1039 10.683,1041 17.286,1042 8.627,1043 12.987,1044 -0.419,1045 16.139,1046 0.393,1047 10.005,1048 12.328,1049 5.698,1050 19.757,1051 9.889,1052 3.205,1053 -0.53,1054 17.978,1055 -0.698,1056 11.009,1057 13.553,1059 22.043,1060 10.886,1061 3.032,1062 11.05,1063 19.829,1064 -1.344,1065 12.201,1066 15.084,1067 6.946,1068 24.456,1069 12.064,1070 2.464,1071 10.25,1072 21.688,1073 4.287,1074 13.284,1075 16.413,1077 26.797,1078 13.138,1079 2.32,1080 7.804,1081 23.553,1082 3.985,1083 14.445,1084 17.892,1085 8.196,1086 29.19,1087 14.286,1088 1.897,1089 6.828,1090 25.425,1091 3.367,1092 15.564,1093 19.274,1095 31.556,1096 15.394,1097 1.675,1098 5.756,1099 27.3,1100 3.068,1101 16.714,1102 20.73,1103 9.447,1104 33.943,1105 16.531,1106 1.451,1107 4.321,1108 29.18,1109 2.516,1110 17.849,1111 22.14,1113 36.32,1114 17.654,1115 6548,1116 11139,1117 19.186,1118 29.262,1119 42.263,1120 44.605,1121 43.423,1122 42.01,1123 41.958,1124 55.967,1125 3.737,1126 121.513,1127 40.86,1128 5.395,1129 5.778,1130 6.541,1131 5.227,1132 5.205,1133 7.287,1134 3.737,1135 18.255,1136 5.165,1137 9.347,1138 1.509,1139 1.593,1140 1.551,1141 1.5,1142 1.499,1143 1.999,1144 0.133,1145 4.34,1146 1.459,1147 4.096,1148 4.131,1149 4.058,1150 4.02,1151 6.543,1152 4.023,1153 3.924,1154 3.963,1155 3.874,1156 3.821,1157 6.456,1158 3.829,1159 3.738,1160 3.796,1161 3.67,1162 3.574,1163 5.001,1164 3.591,1165 3.471,1166 3.521,1167 3.361,1168 3.315,1169 4.811,1170 3.316,1171 3.288,1172 3.346,1173 3.154,1174 3.099,1175 4.671,1176 3.099,1177 3.058,1178 3.116,1179 2.935,1180 2.852,1181 4.1,1182 2.86,1183 2.854,1184 2.925,1185 2.687,1186 2.735,1187 3.788,1188 2.715,1189 2.755,1190 2.822,1191 2.653,1192 2.527,1193 3.717,1194 2.547,1195 0.163,1196 0.135,1197 0.241,1198 0.15,1199 0.114,1200 4.565,1201 0.153,1202 3.778,1203 0.067,1204 6.739,1205 0.395,1206 4.192,1207 0.113,1208 3.205,1209 4.287,1210 1.869,1211 11.05,1212 3.165,1213 1.945,1214 1.927,1215 2.024,1216 2.007,1217 1.219,1218 2.013,1219 1.822,1220 1.79,1221 1.927,1222 1.944,1223 1.066,1224 1.94,1225 1.592,1226 1.525,1227 1.806,1228 1.851,1229 1.036,1230 1.839,1231 1.546,1232 1.49,1233 1.767,1234 1.731,1235 0.98,1236 1.741,1237 1.321,1238 1.288,1239 1.444,1240 1.451,1241 0.61,1242 1.45,1243 1.004,1244 0.927,1245 1.207,1246 1.36,1247 0.297,1248 1.315,1249 0.953,1250 0.9,1251 1.181,1252 1.214,1253 0.218,1254 1.189,1255 0.886,1256 0.821,1257 1.16,1258 1.062,1259 0.206,1260 1.107,1261 4.043,1263 5.361,1264 3.045,1265 6.882,1266 5.416,1267 8.496,1268 7.526,1269 10.159,1276 18.336,1277 2.121,1289 28.203,1290 67.56,1291 159.72,1292 201.72,1293 215.329,1294 217.329,1295 217.329,1296 35.277,1297 7.485,1298 83.53,1299 83.53,1300 22,1301 12.61,1302 4.248,1303 3.392,1304 35.704,1305 81,1306 93,1307 0.213,1308 172.274,1309 292.94,1310 412.11,1311 16818,1313 17.225,1314 0.689,1315 0.545,1316 17.225,1317 13.631,1318 12.296,1319 0.439,1320 0.294,1321 8.126,1322 11.81,1323 7.983,1324 6.568,1325 12.296,1326 8.232,1327 10.595,1328 0.272,1329 0.155,1330 10.595,1331 6.033,1332 9.439,1333 0.172,1334 0.082,1335 9.439,1336 4.524,1337 8.32,1338 0.109,1339 0.044,1340 8.32,1341 3.314,1342 6.576,1343 0.07,1344 0.023,1345 6.576,1346 2.179,1347 0.325,1348 77.271,1349 0.228,1350 23.89,1351 0.614,1352 134,1353 380.88,1354 143.789,1355 373.572,1356 515.79,1357 350,1358 161,1359 387.666,1360 171.596,1361 392.319,1362 569.18,1363 370,1364 5}
{0 CHEMBL535,1 1.584,2 11.655,3 2.998,4 8.987,5 113.678,6 7.117,7 0.355,8 4.101,9 4.238,10 3.612,11 3.603,12 5.199,13 3.578,14 4.649,15 4.852,16 3.983,17 3.985,18 5.735,19 3.943,20 4.864,21 5.08,22 4.051,23 4.122,24 5.954,25 4.066,26 4.978,27 5.196,28 4.03,29 4.168,30 6.076,31 4.077,32 5.06,33 5.324,34 3.954,35 4.095,36 6.164,37 3.994,38 4.949,39 5.221,40 3.905,41 4.029,42 6.047,43 3.935,44 4.824,45 5.053,46 3.867,47 3.978,48 5.943,49 3.895,50 4.825,51 5.057,52 3.837,53 3.927,54 6.073,55 3.851,56 0.042,57 0.89,58 12.112,59 4.992,60 8.39,61 6.881,62 0.257,63 1.392,64 22.895,65 8.086,66 28.708,67 11.698,68 0.357,69 1.638,70 29.378,71 9.964,72 45.373,73 13.974,74 0.334,75 1.713,76 32.841,77 11.644,78 54.094,79 16.456,80 0.714,81 1.689,82 38.27,83 11.448,84 97.478,85 16.832,86 0.566,87 1.535,88 34.091,89 10.532,90 95.888,91 15.545,92 0.404,93 1.417,94 28.873,95 9.612,96 60.464,97 13.7,98 0.648,99 1.43,100 29.772,101 9.203,102 101.382,103 12.854,104 59,105 44,106 0.262,107 0.599,108 0.765,109 0.838,110 0.838,111 0.838,112 3.408,113 0.956,114 -3.6,115 -3.57,116 -3.41,118 39.3,119 4,124 4,132 1,133 1,138 3,139 3,140 2,148 2,153 2,167 6,171 4,173 2,175 8,178 7,182 3,184 1,186 6,188 8,192 4,195 1,196 1,197 3,199 8,203 1,204 4,206 1,207 1,208 5,211 5,215 4,220 4,223 4,228 6,231 1,233 3,235 6,239 1,240 2,243 2,244 1,245 1,247 5,252 2,257 3,260 5,264 1395,265 19.24,266 19.24,267 19.24,268 19.24,269 19.24,270 17.408,271 25.99,272 11.043,273 19.62,274 15.105,275 15.105,276 15.105,277 15.105,278 15.105,279 12.167,280 30.71,281 5.039,282 15.616,283 4.223,284 2.178,285 1.175,286 0.732,287 0.732,288 0.732,289 4.082,293 1,294 1,295 707,296 4.062,299 154.273,300 84.801,303 128.978,307 2.105,308 37.028,311 1,312 1,313 1,314 1,315 1,316 1,317 1,318 1,319 63.5,320 338,321 4.619,322 3.668,323 6.845,324 4.245,325 3.256,326 4.332,327 1.058,328 11.257,329 3.22,330 4.49,331 3.635,332 6.721,333 4.136,334 3.145,335 4.111,336 1.058,337 10.905,338 3.113,339 3.829,340 2.996,341 5.705,342 3.416,343 2.463,344 3.258,345 0.8,346 7.519,347 2.375,348 3.628,349 2.971,350 5.455,351 3.355,352 2.406,353 2.899,355 6.694,356 2.255,357 3.438,358 2.78,359 5.271,360 3.242,361 2.267,362 2.569,364 6.623,365 2.192,366 3.317,367 2.546,368 4.966,369 2.899,370 1.936,371 2.442,373 5.734,374 1.844,375 3.173,376 2.205,377 4.871,378 2.803,379 1.823,380 2.338,382 5.105,383 1.774,384 3.033,385 1.951,386 4.707,387 2.635,388 1.64,389 2.146,391 4.754,392 1.62,393 2.728,394 1.567,395 4.407,396 2.374,397 1.413,398 1.77,400 3.88,401 1.355,402 2.382,403 1.546,404 3.65,405 2.036,406 1.042,407 1.241,409 2.355,410 1.029,411 2.163,412 0.941,413 3.368,414 1.773,415 0.787,416 1.057,417 2.007,418 0.771,419 1.618,420 0.82,421 3.011,422 1.591,423 0.618,424 0.618,425 0.791,426 0.6,427 1.513,428 0.744,429 2.628,430 1.138,431 0.177,432 0.203,433 0.399,434 0.168,435 1.183,436 0.576,437 2.618,438 1.037,439 0.066,440 0.078,441 0.124,442 0.063,443 1.042,444 0.375,445 2.459,446 0.77,447 -0.24,448 -0.277,449 -0.524,450 -0.238,451 13.552,452 0.467,453 0.822,454 0.028,455 33.5,456 1.155,457 15,458 0.517,459 18.5,460 0.638,461 28.078,462 0.968,463 32.648,464 0.583,465 27.063,466 0.933,467 6.772,468 0.234,469 7.078,470 0.244,471 0.218,473 0.398,477 1,478 0.676,479 1.273,480 0.827,481 1.147,482 0.544,483 1.031,484 0.653,485 1.063,486 0.753,487 0.935,488 0.489,489 0.866,490 1.045,491 0.979,492 0.964,493 0.941,494 0.905,495 0.924,496 0.854,497 1.157,498 1.037,499 1.261,500 0.867,501 1.201,502 1.031,503 0.824,504 0.956,505 0.87,506 1.142,507 0.898,508 0.887,509 0.832,510 0.814,511 0.796,512 0.831,513 0.782,514 0.966,515 0.95,516 0.971,517 1.055,518 1.062,519 1.029,520 1.226,521 0.956,522 1.076,523 0.927,524 1.288,525 0.968,526 6.5,527 0.086,528 3.778,529 3.368,530 1.503,531 1.07,532 0.754,533 0.607,534 0.463,535 0.194,536 10261,537 26966,538 1.973,539 48.2,540 3,541 12,544 3,545 3,546 6,549 1.719,550 1.794,551 3.48,552 0.891,553 1,554 1,558 88.722,559 1.584,560 3.63,561 4.633,562 5.075,563 5.075,564 5.075,565 2.945,566 4.487,567 4.825,568 3.702,569 1503.13,570 8.406,571 20612.1,573 1,575 1,576 325.212,577 1.556,578 4.756,579 0.21,580 0.005,581 0.086,582 0.073,583 0.036,584 0.028,585 0.02,586 0.017,587 0.014,588 0.008,589 0.496,590 0.33,591 1,592 1.766,593 148.127,594 -0.05,595 -0.12,596 0.029,597 -0.024,598 -0.046,599 0.012,600 0.072,601 -0.021,602 0.162,603 0.094,604 0.093,605 0.138,606 -0.107,607 0.081,608 -0.009,609 0.066,610 -0.036,611 0.059,612 -0.003,613 -0.198,614 -0.098,615 -0.243,616 -0.002,617 -0.201,618 0.014,619 0.03,620 0.048,621 0.059,622 -0.045,623 0.055,624 0.053,625 0.076,626 0.178,627 0.156,628 0.098,629 0.193,630 -0.01,631 -0.052,632 -0.006,633 -0.067,634 -0.037,635 -0.046,636 0.004,637 0.02,638 -0.061,639 0.03,640 0.027,641 -0.021,642 2.071,643 5.703,644 0.483,645 30.19,646 1.003,647 1.138,648 2.373,649 5.63,650 0.643,651 3.466,652 3.807,653 4.094,654 4.357,655 4.489,656 4.564,657 4.718,658 4.852,659 4.844,660 4.875,661 7.02,662 0.611,663 398.53,664 3.466,665 5.017,666 5.878,667 6.77,668 7.651,669 8.551,670 9.443,671 10.348,672 11.247,673 12.154,674 7.1,677 1,681 2,682 1,690 3,692 1,695 7,697 11,704 1,715 1,716 56,718 14,719 1,720 31,722 58,723 22,724 10,725 3,726 3,727 4,728 3,729 4,732 4,740 14,741 8,744 3,749 2,751 1,753 3,757 1,758 1,760 27,761 6,762 3,763 7,769 4,775 0.667,776 2,789 1,793 2,794 1,797 1,807 1,811 1,812 1,816 1,819 2,823 4,825 1,827 29,833 4,834 2,838 1,849 1,850 3.6,853 2,858 16.167,859 11.26,860 6.528,861 3.655,863 2.844,864 1.383,865 0.973,866 6.557,867 10.273,868 3.701,869 4.287,870 4.865,871 5.431,872 5.869,873 6.183,874 6.595,875 7.004,876 7.275,877 7.594,878 0.875,879 46,880 10.811,881 4.602,882 7.92,883 20.383,884 16.46,885 2.42,886 70.167,889 1,890 282.506,891 121.171,892 55.931,894 50.29,895 14.96,897 121.171,898 332.796,899 70.891,900 35.301,901 44.444,902 37.905,903 59.699,904 44.53,905 20.474,906 282.506,908 282.506,909 177.103,910 65.25,913 226.84,914 120.916,917 99.655,918 67.972,919 9.476,921 297.467,922 106.221,923 121.171,926 282.506,927 47.966,928 76.33,929 52.807,930 65.25,931 282.506,932 121.181,933 121.171,935 0.584,936 0.356,937 0.187,938 0.091,939 20,940 11,941 0.121,942 7,943 1,944 1.143,945 3.936,946 249.067,947 0.143,948 14,949 136.881,954 21.284,955 8.934,956 4.439,958 104.396,959 4.197,961 3.187,964 3.428,966 52.807,967 524.859,968 39.5,973 25.049,975 1.676,977 -0.06,980 56.178,981 63.734,983 0.273,984 0.625,985 0.798,986 0.874,987 0.874,988 0.874,989 4.961,990 1.64,991 5.889,992 5.105,993 4.489,994 4.973,995 1.863,996 6.739,997 4.434,998 6.182,999 1.413,1000 7.482,1001 4.754,1002 4.205,1003 4.924,1004 0.325,1005 7.735,1006 4.139,1007 7.509,1008 1.042,1009 9.173,1010 3.88,1011 6.125,1012 7.166,1013 1.868,1014 10.853,1015 6.031,1016 8.873,1017 0.787,1018 10.921,1019 2.355,1020 6.648,1021 7.93,1022 0.268,1023 12.69,1024 6.556,1025 10.27,1026 0.618,1027 12.706,1028 2.007,1029 8.072,1030 9.691,1031 1.93,1032 15.345,1033 7.96,1034 11.691,1035 0.177,1036 14.518,1037 0.791,1038 8.958,1039 10.825,1040 0.188,1041 17.53,1042 8.85,1043 13.132,1044 0.066,1045 16.35,1046 0.399,1047 10.206,1048 12.403,1049 2.01,1050 20.027,1051 10.084,1052 3.256,1053 -0.24,1054 18.199,1055 0.124,1056 11.253,1057 13.707,1058 0.125,1059 22.35,1060 11.131,1061 3.145,1062 11.257,1063 20.061,1064 -0.524,1065 12.441,1066 15.209,1067 2.099,1068 24.79,1069 12.309,1070 2.463,1071 10.905,1072 21.933,1073 4.332,1074 13.556,1075 16.591,1076 0.082,1077 27.166,1078 13.42,1079 2.406,1080 7.519,1081 23.814,1082 4.111,1083 14.725,1084 18.063,1085 2.193,1086 29.586,1087 14.58,1088 2.267,1089 6.694,1090 25.702,1091 3.258,1092 15.869,1093 19.48,1094 0.054,1095 31.982,1096 15.718,1097 1.936,1098 6.623,1099 27.595,1100 2.899,1101 17.035,1102 20.939,1103 2.291,1104 34.395,1105 16.874,1106 1.823,1107 5.734,1108 29.493,1109 2.569,1110 18.192,1111 22.374,1112 0.035,1113 36.799,1114 18.022,1115 10241,1116 16865,1117 19.709,1118 36.006,1119 46.73,1120 48.507,1121 49.823,1122 46.081,1123 46.081,1124 58.126,1125 5.833,1126 136.296,1127 44.76,1128 5.545,1129 5.668,1130 6.463,1131 5.284,1132 5.256,1133 7.332,1134 2.117,1135 18.419,1136 5.22,1137 18.634,1138 1.507,1139 1.565,1140 1.607,1141 1.486,1142 1.486,1143 1.875,1144 0.188,1145 4.397,1146 1.444,1147 4.085,1148 4.115,1149 4.05,1150 3.991,1151 8.201,1152 4.001,1153 3.94,1154 3.971,1155 3.904,1156 3.839,1157 7.431,1158 3.85,1159 3.755,1160 3.837,1161 3.619,1162 3.55,1163 7.427,1164 3.555,1165 3.494,1166 3.548,1167 3.44,1168 3.343,1169 4.819,1170 3.357,1171 3.424,1172 3.476,1173 3.311,1174 3.205,1175 4.646,1176 3.21,1177 3.306,1178 3.407,1179 3.04,1180 3.123,1181 4.338,1182 3.089,1183 3.202,1184 3.297,1185 2.998,1186 3.023,1187 4.045,1188 3.002,1189 3.093,1190 3.147,1191 2.944,1192 2.856,1193 3.997,1194 2.88,1195 0.149,1196 0.118,1197 0.221,1198 0.137,1199 0.105,1200 4.619,1201 0.14,1202 3.668,1203 0.034,1204 6.845,1205 0.363,1206 4.245,1207 0.104,1208 3.256,1209 4.332,1210 1.058,1211 11.257,1212 3.22,1213 1.891,1214 1.872,1215 1.969,1216 1.971,1217 1.217,1218 1.971,1219 1.744,1220 1.705,1221 1.963,1222 1.96,1223 1.113,1224 1.965,1225 1.685,1226 1.627,1227 1.845,1228 1.84,1229 1.005,1230 1.836,1231 1.637,1232 1.585,1233 1.792,1234 1.83,1235 0.919,1236 1.823,1237 1.388,1238 1.31,1239 1.725,1240 1.634,1241 0.87,1242 1.657,1243 1.351,1244 1.291,1245 1.697,1246 1.584,1247 0.869,1248 1.638,1249 1.343,1250 1.256,1251 1.545,1252 1.575,1253 0.612,1254 1.558,1255 0.998,1256 0.935,1257 1.258,1258 1.282,1259 0.316,1260 1.283,1261 4.143,1263 5.476,1264 3.045,1265 6.993,1266 5.533,1267 8.595,1268 7.703,1269 10.247,1271 7.856,1273 13.65,1277 3.24,1278 5.705,1282 2.238,1289 34.22,1290 88.722,1291 203.264,1292 259.437,1293 284.192,1294 284.192,1295 284.192,1296 73.893,1297 7.428,1298 80.99,1299 80.99,1300 16,1301 12.673,1302 3.907,1303 3.248,1304 52.559,1305 121,1306 128,1307 0.213,1308 212.57,1309 376.81,1310 510.432,1311 16523,1312 1.8,1313 21.129,1314 0.729,1315 0.596,1316 20.259,1317 17.28,1318 13.85,1319 0.447,1320 0.319,1321 9.741,1322 13.278,1323 9.393,1324 7.849,1325 13.456,1326 9.879,1327 12.455,1328 0.283,1329 0.162,1330 11.821,1331 7.149,1332 10.606,1333 0.18,1334 0.091,1335 10.264,1336 5.365,1337 8.825,1338 0.115,1339 0.048,1340 8.613,1341 3.663,1342 6.317,1343 0.072,1344 0.023,1345 5.988,1346 2.045,1347 0.337,1348 87.002,1349 0.225,1350 27.641,1351 0.58,1352 150,1353 482.226,1354 166.169,1355 440.779,1356 591.42,1357 410,1358 178,1359 427.916,1360 193.084,1361 427.854,1362 628.8,1363 403,1364 5.509}
{0 CHEMBL553,1 1.568,2 11.345,3 4.31,4 18.575,5 110.749,6 7.567,7 0.548,8 4.05,9 4.152,10 3.627,11 3.526,12 5.216,13 3.534,14 4.559,15 4.716,16 3.895,17 3.835,18 5.642,19 3.833,20 4.683,21 4.845,22 3.989,23 3.966,24 5.793,25 3.938,26 4.733,27 4.933,28 3.953,29 3.987,30 5.768,31 3.933,32 4.809,33 5.016,34 3.978,35 3.993,36 5.841,37 3.949,38 4.756,39 4.929,40 4.008,41 4.017,42 5.839,43 3.974,44 4.81,45 5.008,46 3.969,47 4.04,48 5.839,49 3.981,50 4.868,51 5.089,52 3.861,53 3.961,54 5.891,55 3.89,56 0.054,57 0.714,58 10.332,59 4.677,60 11.647,61 5.733,62 0.454,63 1.069,64 20.708,65 7.197,66 33.876,67 8.665,68 0.65,69 1.236,70 23.177,71 8.149,72 39.845,73 10.493,74 0.305,75 1.325,76 24.251,77 9.042,78 32.353,79 12.318,80 0.58,81 1.335,82 27.897,83 9.386,84 47.402,85 12.503,86 0.618,87 1.309,88 25.009,89 9.121,90 42.197,91 11.875,92 0.375,93 1.41,94 26.398,95 9.44,96 37.479,97 12.731,98 0.676,99 1.381,100 30.36,101 9.574,102 54.708,103 12.892,104 31,105 40,106 0.261,107 0.608,108 0.734,109 0.816,110 0.822,111 0.828,112 3.408,113 0.881,114 -4.13,115 -4.08,116 -3.86,118 42.3,123 2,124 4,136 1,137 1,138 6,139 2,140 3,142 1,143 1,144 1,167 7,170 1,171 5,173 1,175 3,178 8,181 3,182 5,186 3,188 6,191 1,192 4,195 1,197 3,199 4,203 2,204 4,206 1,208 1,211 5,214 3,215 7,218 1,223 6,227 1,228 6,235 5,239 2,240 6,243 1,247 3,251 2,252 5,255 1,260 1,264 1486,265 20.231,266 20.231,267 20.231,268 20.231,269 20.231,270 18.156,271 25.355,272 12.658,273 21.081,274 15.244,275 15.244,276 15.244,277 15.244,278 15.244,279 11.96,280 33.398,281 5.909,282 16.407,283 4.133,284 2.047,285 1.289,286 0.798,287 0.76,288 0.721,289 4.097,293 1,294 1,295 682,296 3.674,300 246.825,304 132.191,307 1.874,308 25.957,311 1,312 0.83,313 0.83,314 0.8,315 0.5,316 1,317 1,318 0.85,319 63.5,320 329,321 4.576,322 3.304,323 6.586,324 4.1,325 3.136,326 4.513,327 0.86,328 10.539,329 3.024,330 4.143,331 3.021,332 6.058,333 3.703,334 2.742,335 3.734,336 0.86,337 8.765,338 2.658,339 3.986,340 2.877,341 5.609,342 3.548,343 2.592,344 3.488,345 0.86,346 7.719,347 2.446,348 3.608,349 2.47,350 5.22,351 3.101,352 2.143,353 2.885,354 0.86,355 6.393,356 2.053,357 3.385,358 2.413,359 4.889,360 2.865,361 1.923,362 2.648,363 0.4,364 5.548,365 1.814,366 3.041,367 2.207,368 4.525,369 2.663,370 1.762,371 2.233,373 4.576,374 1.568,375 2.914,376 2.059,377 3.977,378 2.505,379 1.618,380 1.891,382 3.444,383 1.426,384 2.818,385 1.888,386 3.619,387 2.411,388 1.492,389 1.789,391 3.079,392 1.361,393 2.628,394 1.506,395 3.536,396 2.221,397 1.285,398 1.631,400 2.753,401 1.213,402 2.615,403 1.335,404 3.495,405 2.144,406 1.202,407 1.513,409 2.621,410 1.113,411 2.511,412 1.278,413 3.163,414 1.633,415 0.757,416 0.885,417 1.559,418 0.658,419 1.926,420 1.081,421 2.853,422 1.539,423 0.705,424 0.853,425 1.184,426 0.584,427 1.758,428 0.574,429 2.832,430 1.43,431 0.431,432 0.731,433 0.629,434 0.43,435 1.433,436 0.527,437 2.673,438 1.114,439 0.201,440 0.233,441 0.434,442 0.182,443 1.182,444 0.247,445 2.599,446 0.824,447 -0.088,448 -0.107,449 -0.191,450 -0.08,451 13.533,452 0.467,453 0.427,454 0.015,455 38.5,456 1.328,457 19.5,458 0.672,459 19,460 0.655,461 21.738,462 0.75,463 31.467,464 0.605,465 30.457,466 1.05,467 8.161,468 0.281,469 6.084,470 0.21,471 0.111,473 0.259,478 0.923,479 1.4,480 0.769,481 1.227,482 0.863,483 1.008,484 1.614,485 0.873,486 1.004,487 0.778,488 1.214,489 0.78,490 1.081,491 1.08,492 0.991,493 0.912,494 0.945,495 0.93,496 0.759,497 1.194,498 0.883,499 1.117,500 0.815,501 1.036,502 1.124,503 0.903,504 0.918,505 0.847,506 0.994,507 0.843,508 0.964,509 1.081,510 0.995,511 1.025,512 0.938,513 1.021,514 0.957,515 1.159,516 1.039,517 1.121,518 0.893,519 1.088,520 1.258,521 0.925,522 1.137,523 0.942,524 1.129,525 0.997,526 4.5,527 0.128,528 2.222,529 1.438,530 1.56,531 0.792,532 0.586,533 0.46,534 0.303,535 0.208,536 9971,537 28979,538 2.053,539 44.2,541 20,542 1,543 1,544 1,549 1.725,550 1.955,551 3.483,552 -0.336,554 1,558 81.519,559 1.568,560 3.653,561 4.412,562 4.902,563 4.941,564 4.979,565 2.957,566 4.858,567 4.82,568 3.63,569 1473.82,570 8.434,571 20207.6,573 1,575 1,576 296.423,577 1.233,578 4.804,579 0.145,580 0.006,581 0.056,582 0.033,583 0.038,584 0.019,585 0.014,586 0.011,587 0.009,588 0.007,589 0.338,590 0.33,591 1,592 1.643,593 147.354,594 -0.043,595 -0.249,596 0.065,597 -0.167,598 -0.038,599 -0.05,600 -0.245,601 0.169,602 -0.022,603 0.2,604 -0.18,605 0.137,606 0.081,607 -0.023,608 -0.039,609 0.074,610 0.011,611 0.006,612 0.037,613 -0.145,614 0.045,615 -0.125,616 0.031,617 -0.055,618 -0.023,619 0.095,620 0.075,621 0.121,622 -0.007,623 0.116,624 0.115,625 -0.045,626 -0.046,627 -0.03,628 0.02,629 -0.066,630 -0.071,631 -0.104,632 -0.1,633 -0.144,634 -0.036,635 -0.126,636 -0.098,637 0.065,638 -0.119,639 -0.004,640 -0.084,641 -0.054,642 1.108,643 2.357,644 0.552,645 32.749,646 1.009,647 1.125,648 2.902,649 8.423,650 0.662,651 3.466,652 3.714,653 3.97,654 4.234,655 4.511,656 4.625,657 4.771,658 4.905,659 5.017,660 5.017,661 6.746,662 0.638,663 393.48,664 3.466,665 4.963,666 5.79,667 6.645,668 7.502,669 8.374,670 9.245,671 10.126,672 11.004,673 11.891,674 5.8,682 1,684 2,689 2,690 7,691 2,695 5,697 17,709 1,714 2,716 52,718 18,719 2,720 31,722 54,723 22,724 14,725 6,726 6,728 3,729 4,739 2,740 14,741 6,757 1,760 23,761 7,762 1,763 7,769 3,775 0.667,776 4,788 1,794 3,798 1,801 1,802 1,818 2,819 2,823 2,827 29,833 4,834 1,835 4,842 1,843 1,848 1,850 7.7,854 2,855 2,858 14.833,859 9.983,860 6.833,861 2.831,863 3.591,864 1.479,865 0.947,866 7.655,867 11.095,868 3.75,869 4.29,870 4.907,871 5.513,872 6.139,873 6.469,874 6.901,875 7.309,876 7.738,877 7.937,878 0.875,879 43,880 10.624,881 4.252,882 7.73,883 20.11,884 15.342,885 2.23,886 64.667,888 1,889 1,890 258.964,891 169.438,892 51.582,894 44,897 169.438,898 302.964,899 51.582,900 21.766,901 18.37,902 56.857,903 67.342,904 69.775,905 54.451,906 235.422,908 258.964,909 221.02,910 44,913 258.964,914 22,915 22,917 47.143,918 123.275,919 50.602,921 258.964,922 95.581,923 169.438,926 258.964,927 41.844,928 87.242,929 35.041,930 100.892,931 258.964,932 95.581,933 169.438,935 0.546,936 0.316,937 0.175,938 0.103,939 16,940 7,941 0.185,942 10,943 1,944 1.125,945 4.043,946 244.412,947 0.125,948 16,949 138.881,954 20.879,955 10.632,956 5.582,957 1.521,958 95.581,959 12.758,960 8.754,964 3.434,966 18.011,967 523.983,968 41.5,980 52.451,981 58.485,983 0.275,984 0.641,985 0.774,986 0.86,987 0.867,988 0.873,989 4.951,990 1.492,991 5.727,992 3.444,993 4.394,994 4.977,995 1.979,996 6.491,997 4.274,998 6.134,999 1.285,1000 7.245,1001 3.079,1002 3.761,1003 4.691,1005 7.298,1006 3.644,1007 7.424,1008 1.202,1009 8.869,1010 2.753,1011 5.922,1012 7.199,1013 1.691,1014 10.42,1015 5.723,1016 8.754,1017 0.757,1018 10.558,1019 2.621,1020 6.176,1021 7.819,1023 12.095,1024 5.979,1025 10.121,1026 0.705,1027 12.291,1028 1.559,1029 7.736,1030 9.747,1031 1.446,1032 14.709,1033 7.478,1034 11.514,1035 0.431,1036 14.053,1037 1.184,1038 8.432,1039 10.803,1041 16.752,1042 8.162,1043 12.928,1044 0.201,1045 15.837,1046 0.629,1047 9.732,1048 12.484,1049 1.222,1050 19.187,1051 9.415,1052 3.136,1053 -0.088,1054 17.637,1055 0.434,1056 10.649,1057 13.76,1059 21.394,1060 10.308,1061 2.742,1062 10.539,1063 19.449,1064 -0.191,1065 11.838,1066 15.333,1067 1.019,1068 23.766,1069 11.458,1070 2.592,1071 8.765,1072 21.27,1073 4.513,1074 12.863,1075 16.721,1077 26.047,1078 12.452,1079 2.143,1080 7.719,1081 23.1,1082 3.734,1083 14.007,1084 18.248,1085 0.837,1086 28.399,1087 13.561,1088 1.923,1089 6.393,1090 24.937,1091 3.488,1092 15.084,1093 19.693,1095 30.715,1096 14.604,1097 1.762,1098 5.548,1099 26.779,1100 2.885,1101 16.214,1102 21.202,1103 0.677,1104 33.061,1105 15.699,1106 1.618,1107 4.576,1108 28.626,1109 2.648,1110 17.317,1111 22.675,1113 35.394,1114 16.767,1115 9964,1116 17099,1117 20.86,1118 34.449,1119 45.202,1120 45.105,1121 45.844,1122 43.943,1123 43.976,1124 58.054,1125 7.68,1126 118.489,1127 41.063,1128 5.452,1129 5.304,1130 6.497,1131 5.178,1132 5.136,1133 7.513,1134 1.72,1135 17.476,1136 5.024,1137 12.953,1138 1.458,1139 1.455,1140 1.479,1141 1.418,1142 1.419,1143 1.873,1144 0.248,1145 3.822,1146 1.325,1147 4.079,1148 4.107,1149 4.053,1150 3.979,1151 5.448,1152 3.993,1153 3.896,1154 3.921,1155 3.845,1156 3.843,1157 5.1,1158 3.84,1159 3.614,1160 3.652,1161 3.52,1162 3.37,1163 4.78,1164 3.399,1165 3.555,1166 3.597,1167 3.404,1168 3.297,1169 4.671,1170 3.312,1171 3.386,1172 3.432,1173 3.282,1174 3.202,1175 4.66,1176 3.208,1177 3.244,1178 3.285,1179 3.173,1180 3.135,1181 4.566,1182 3.144,1183 3.135,1184 3.21,1185 2.99,1186 2.903,1187 4.327,1188 2.915,1189 3.071,1190 3.163,1191 2.875,1192 2.825,1193 4.091,1194 2.816,1195 0.148,1196 0.107,1197 0.212,1198 0.132,1199 0.101,1200 4.576,1201 0.146,1202 3.304,1203 0.028,1204 6.586,1205 0.34,1206 4.1,1207 0.098,1208 3.136,1209 4.513,1210 0.86,1211 10.539,1212 3.024,1213 2.008,1214 1.986,1215 2.063,1216 2.127,1217 1.189,1218 2.108,1219 1.892,1220 1.87,1221 1.986,1222 1.969,1223 1.065,1224 1.977,1225 1.514,1226 1.471,1227 1.763,1228 1.79,1229 0.979,1230 1.778,1231 1.482,1232 1.432,1233 1.763,1234 1.772,1235 0.971,1236 1.767,1237 1.31,1238 1.265,1239 1.527,1240 1.553,1241 0.561,1242 1.536,1243 1.233,1244 1.195,1245 1.509,1246 1.416,1247 0.557,1248 1.446,1249 1.105,1250 1.021,1251 1.416,1252 1.371,1253 0.418,1254 1.395,1255 1.075,1256 0.978,1257 1.367,1258 1.327,1259 0.225,1260 1.351,1261 4.143,1263 5.407,1265 6.882,1267 8.468,1269 10.116,1271 3.25,1277 1.726,1278 3.3,1279 21.802,1286 5.494,1288 2.629,1289 33.191,1290 81.519,1291 189.959,1292 229.403,1293 254.913,1294 256.913,1295 258.913,1296 45.889,1297 7.504,1298 74.73,1299 74.73,1300 18,1301 12.425,1302 4.248,1303 3.524,1304 52.144,1305 114,1306 130,1307 0.222,1308 206.716,1309 361.14,1310 496.146,1311 18053,1313 20.476,1314 0.706,1315 0.568,1316 20.476,1317 16.475,1318 14.245,1319 0.46,1320 0.294,1321 8.897,1322 13.453,1323 8.657,1324 7.212,1325 14.245,1326 9.108,1327 11.641,1328 0.291,1329 0.152,1330 11.641,1331 6.071,1332 9.67,1333 0.186,1334 0.079,1335 9.67,1336 4.083,1337 7.984,1338 0.117,1339 0.039,1340 7.984,1341 2.683,1342 6.697,1343 0.074,1344 0.02,1345 6.697,1346 1.816,1347 0.345,1348 91.017,1349 0.219,1350 27.527,1351 0.619,1352 142,1353 484.565,1354 159.12,1355 452.573,1356 611.63,1357 428,1358 163,1359 431.547,1360 180.455,1361 439.29,1362 635.11,1363 408,1364 5.329}
{0 CHEMBL554,1 1.816,2 17.4,3 6.255,4 39.126,5 152.448,6 8.805,7 0.636,8 4.306,9 4.395,10 4.109,11 3.908,12 5.446,13 3.881,14 4.829,15 4.958,16 4.397,17 4.268,18 6.123,19 4.239,20 5.076,21 5.243,22 4.42,23 4.346,24 6.269,25 4.299,26 5.076,27 5.278,28 4.34,29 4.305,30 6.187,31 4.234,32 5.025,33 5.23,34 4.277,35 4.306,36 6.114,37 4.221,38 4.952,39 5.129,40 4.381,41 4.311,42 6.078,43 4.24,44 4.986,45 5.172,46 4.433,47 4.32,48 6.18,49 4.243,50 4.938,51 5.12,52 4.341,53 4.213,54 6.171,55 4.146,56 0.16,57 1.011,58 12.31,59 6.42,60 21.401,61 6.763,62 0.486,63 1.617,64 26.002,65 10.989,66 63.858,67 11.764,68 0.911,69 1.929,70 36.244,71 13.271,72 105.739,73 14.463,74 0.861,75 1.894,76 37.427,77 13.509,78 86.989,79 16.077,80 0.9,81 1.805,82 40.185,83 13.57,84 93.378,85 16.058,86 0.663,87 1.655,88 29.907,89 12.198,90 64.253,91 14.715,92 0.713,93 1.742,94 34.463,95 12.827,96 64.704,97 15.491,98 0.726,99 1.618,100 35.717,101 12.338,102 78.312,103 14.109,104 31,105 62,106 0.283,107 0.622,108 0.804,109 0.906,110 0.906,111 0.906,112 3.717,113 1.011,114 -5.1,115 -5,116 -4.68,118 43.9,123 1,124 4,138 12,139 3,140 4,142 1,143 1,144 1,148 2,167 10,170 2,171 8,173 1,175 3,178 11,182 10,184 1,186 3,188 9,192 8,195 3,197 4,199 8,204 3,206 1,208 2,211 10,214 2,215 5,218 1,220 3,223 13,227 3,228 6,233 4,235 9,240 6,245 2,247 8,251 1,252 6,255 2,256 1,257 1,260 5,264 3850,265 26.703,266 26.703,267 26.703,268 26.703,269 26.703,270 22.984,271 28.108,272 15.708,273 27.495,274 21.775,275 21.775,276 21.775,277 21.775,278 21.775,279 16.106,280 40.3,281 7.533,282 23.138,283 4.229,284 2.048,285 0.875,286 0.224,287 0.224,288 0.224,289 4.421,290 1,294 1,295 1499,296 4.301,299 115.698,300 520.673,304 201.137,307 3.11,308 50.596,311 0.75,312 0.67,313 0.67,314 0.5,315 0.5,316 0.67,317 0.5,318 0.61,319 87.833,320 696,321 4.622,322 5.046,323 6.557,324 4.091,325 3.113,326 4.484,327 2.95,328 10.419,329 3.053,330 4.553,331 3.295,332 6.394,333 3.952,334 3.098,335 4.423,336 1.151,337 9.951,338 2.799,339 4.254,340 3.144,341 6.141,342 3.843,343 2.887,344 3.899,345 0.657,346 9.089,347 2.635,348 4.203,349 2.997,350 6.071,351 3.77,352 2.813,353 3.853,354 0.4,355 8.773,356 2.608,357 4.037,358 2.926,359 5.503,360 3.614,361 2.641,362 3.645,364 7.439,365 2.56,366 3.688,367 2.624,368 5.406,369 3.324,370 2.358,371 3.091,373 7.038,374 2.285,375 3.574,376 2.541,377 5.292,378 3.199,379 2.241,380 2.932,382 6.74,383 2.112,384 3.348,385 2.408,386 5.006,387 2.929,388 1.991,389 2.683,391 5.733,392 1.853,393 3.281,394 2.239,395 4.748,396 2.839,397 1.885,398 2.54,400 5.298,401 1.788,402 2.987,403 2.071,404 4.32,405 2.536,406 1.588,407 2.201,409 4.068,410 1.504,411 2.848,412 1.963,413 4.186,414 2.363,415 1.472,416 1.979,417 3.785,418 1.329,419 2.764,420 1.679,421 4.053,422 2.358,423 1.427,424 1.859,425 3.38,426 1.24,427 2.671,428 1.456,429 3.628,430 2.192,431 1.206,432 1.75,433 2.904,434 1.182,435 2.471,436 1.349,437 3.49,438 2.176,439 1.199,440 1.461,441 2.627,442 1.168,443 2.367,444 1.237,445 3.426,446 1.902,447 0.942,448 1.314,449 2.268,450 0.902,451 19.267,452 0.482,453 1.113,454 0.028,455 56,456 1.4,457 30,458 0.75,459 26,460 0.65,461 33.504,462 0.838,463 42.533,464 0.644,465 46.672,466 1.167,467 11.054,468 0.276,469 8.177,470 0.204,471 0.112,472 0.043,473 0.285,477 1,478 0.647,479 1.128,480 0.688,481 1.073,482 0.623,483 0.875,484 0.858,485 1.063,486 0.966,487 1.127,488 0.602,489 0.949,490 1.253,491 1.062,492 1.009,493 0.989,494 1.243,495 1.028,496 0.982,497 0.95,498 0.884,499 0.885,500 0.783,501 0.97,502 0.95,503 0.822,504 1.089,505 0.878,506 0.811,507 0.926,508 0.713,509 0.876,510 0.769,511 0.874,512 0.661,513 0.953,514 0.708,515 0.976,516 0.962,517 0.935,518 0.532,519 0.95,520 1.046,521 1.077,522 1.104,523 1.056,524 0.899,525 1.046,526 9.5,527 0.247,528 4,529 2.035,530 2.117,531 1.153,532 0.772,533 0.813,534 0.45,535 0.353,536 30303,537 99733,538 2.086,539 39.4,541 23,543 1,544 2,549 1.796,550 1.959,551 4.033,552 0.174,558 119.837,559 1.816,560 3.996,561 5.169,562 5.821,563 5.821,564 5.821,565 3.504,566 4.934,567 5.283,568 4.275,569 3334.52,570 9.312,571 61875.3,576 398.93,577 1.479,578 5.251,579 0.216,580 0.006,581 0.065,582 0.034,583 0.039,584 0.022,585 0.014,586 0.014,587 0.009,588 0.009,589 0.428,590 0.17,591 0.63,592 1.173,593 231.191,594 -0.002,595 -0.083,596 0.11,597 -0.042,598 -0.104,599 0.023,600 -0.003,601 -0.054,602 -0.09,603 -0.114,604 0.145,605 -0.033,606 -0.163,607 -0.09,608 -0.129,609 -0.067,610 -0.176,611 -0.099,612 -0.052,613 -0.031,614 -0.005,615 0.017,616 -0.037,617 0.001,618 -0.045,619 0.137,620 -0.085,621 0.081,622 -0.061,623 0.073,624 0.049,625 -0.014,626 0.078,627 0.042,628 -0.026,629 0.021,630 0.093,631 -0.067,632 0.064,633 0.02,634 0.098,635 0.036,636 -0.04,637 -0.117,638 -0.02,639 -0.1,640 0.012,641 -0.064,642 3.936,643 5.431,644 0.675,645 67.613,646 1.019,647 1.121,648 3.87,649 14.981,650 0.703,651 3.807,652 4.143,653 4.344,654 4.595,655 4.82,656 4.92,657 5.075,658 5.257,659 5.429,660 5.533,661 10.081,662 0.677,663 581.11,664 3.807,665 5.361,666 6.192,667 7.069,668 7.916,669 8.795,670 9.651,671 10.531,672 11.394,673 12.276,674 6.1,676 1,682 1,684 2,689 2,690 13,691 2,693 1,695 9,697 28,709 1,714 1,715 2,716 66,718 30,719 3,720 44,722 70,723 29,724 24,725 8,726 10,728 5,729 6,730 1,740 24,741 5,744 2,747 1,749 2,758 1,759 1,760 26,761 9,762 2,763 11,764 2,769 4,775 0.8,776 4,788 1,793 1,794 4,798 1,815 1,819 4,821 1,823 1,824 1,825 1,827 40,830 1,833 4,834 2,835 1,849 2,850 6.1,853 2,855 2,858 20.417,859 12.102,860 8.569,861 3.666,863 5.393,864 1.607,865 1.012,866 8.671,867 14.284,868 4.111,869 4.769,870 5.28,871 5.87,872 6.415,873 6.737,874 7.187,875 7.696,876 8.193,877 8.511,878 0.917,879 59,880 14.909,881 6.547,882 7.934,883 27.822,884 22.939,885 2.434,886 97.361,890 282.506,891 190.209,892 69.593,893 39.149,894 64.82,895 14.96,896 6.046,897 184.163,898 386.475,899 84.553,900 7.19,901 9.703,902 137.772,903 89.655,904 78.847,905 28.186,906 270.735,907 39.149,908 282.506,909 253.756,910 79.78,911 45.195,913 297.467,914 64.82,917 56.488,918 163.697,919 78.766,921 297.467,922 134.413,923 229.358,925 6.046,926 282.506,927 54.639,928 129.524,929 36.022,930 152.5,931 282.506,932 149.373,933 229.358,935 0.587,936 0.317,937 0.165,938 0.089,939 29,940 13,941 0.157,942 11,943 1,944 1.074,945 5.12,946 384.556,947 0.074,948 27,949 210.877,953 1,954 28.063,955 12.359,956 7.595,957 1.531,958 149.373,959 22.46,960 8.797,962 5.974,964 4.748,966 36.022,967 661.237,968 60,971 -3.019,973 22.593,980 67.232,981 74.017,983 0.3,984 0.661,985 0.855,986 0.963,987 0.963,988 0.963,989 5.347,990 1.991,991 6.196,992 6.74,993 4.828,994 5.457,995 3.102,996 6.991,997 4.715,998 6.587,999 1.885,1000 7.747,1001 5.733,1002 4.511,1003 5.46,1005 7.978,1006 4.281,1007 7.923,1008 1.588,1009 9.397,1010 5.298,1011 6.45,1012 7.761,1013 5.052,1014 10.949,1015 6.229,1016 9.296,1017 1.472,1018 11.105,1019 4.068,1020 6.909,1021 8.551,1023 12.71,1024 6.57,1025 10.699,1026 1.427,1027 12.85,1028 3.785,1029 8.347,1030 10.36,1031 7.188,1032 15.235,1033 8.009,1034 12.124,1035 1.206,1036 14.619,1037 3.38,1038 9.151,1039 11.502,1041 17.304,1042 8.711,1043 13.564,1044 1.199,1045 16.405,1046 2.904,1047 10.391,1048 13.117,1049 9.348,1050 19.683,1051 9.937,1052 3.113,1053 0.942,1054 18.204,1055 2.627,1056 11.357,1057 14.429,1059 21.884,1060 10.819,1061 3.098,1062 10.419,1063 20.013,1064 2.268,1065 12.516,1066 15.962,1067 11.511,1068 24.214,1069 11.952,1070 2.887,1071 9.951,1072 21.83,1073 4.484,1074 13.558,1075 17.357,1077 26.473,1078 12.927,1079 2.813,1080 9.089,1081 23.653,1082 4.423,1083 14.686,1084 18.857,1085 13.675,1086 28.789,1087 14.023,1088 2.641,1089 8.773,1090 25.482,1091 3.899,1092 15.764,1093 20.294,1095 31.077,1096 15.048,1097 2.358,1098 7.439,1099 27.315,1100 3.853,1101 16.881,1102 21.781,1103 15.838,1104 33.39,1105 16.131,1106 2.241,1107 7.038,1108 29.152,1109 3.645,1110 17.978,1111 23.241,1113 35.693,1114 17.184,1115 28660,1116 52166,1117 29.413,1118 46.421,1119 65.729,1120 68.668,1121 66.391,1122 65.963,1123 65.621,1124 89.227,1125 10.316,1126 188.384,1127 61.69,1128 5.518,1129 7.046,1130 6.203,1131 5.17,1132 5.113,1133 7.484,1134 5.9,1135 17.268,1136 5.053,1137 20.781,1138 1.494,1139 1.561,1140 1.509,1141 1.499,1142 1.491,1143 2.028,1144 0.234,1145 4.281,1146 1.402,1147 4.112,1148 4.135,1149 4.721,1150 4.031,1151 8.201,1152 4.029,1153 3.993,1154 3.968,1155 4.089,1156 3.989,1157 7.715,1158 3.869,1159 3.944,1160 3.959,1161 3.992,1162 3.865,1163 6.999,1164 3.845,1165 3.883,1166 3.898,1167 3.852,1168 3.804,1169 5.124,1170 3.802,1171 3.834,1172 3.848,1173 3.82,1174 3.708,1175 5.008,1176 3.723,1177 3.442,1178 3.508,1179 3.396,1180 3.258,1181 4.963,1182 3.269,1183 3.329,1184 3.389,1185 3.306,1186 3.129,1187 4.661,1188 3.128,1189 3.237,1190 3.284,1191 3.21,1192 3.041,1193 4.422,1194 3.052,1195 0.105,1196 0.115,1197 0.149,1198 0.093,1199 0.071,1200 4.622,1201 0.102,1202 5.046,1203 0.067,1204 6.557,1205 0.237,1206 4.091,1207 0.069,1208 3.113,1209 4.484,1210 2.95,1211 10.419,1212 3.053,1213 2.024,1214 2,1215 2.082,1216 2.128,1217 1.278,1218 2.115,1219 1.907,1220 1.886,1221 2.012,1222 2.007,1223 1.209,1224 2.021,1225 1.845,1226 1.86,1227 1.925,1228 1.952,1229 1.131,1230 2.009,1231 1.831,1232 1.825,1233 1.863,1234 1.928,1235 1.043,1236 1.934,1237 1.58,1238 1.543,1239 1.689,1240 1.758,1241 0.935,1242 1.774,1243 1.475,1244 1.448,1245 1.578,1246 1.652,1247 0.706,1248 1.634,1249 1.254,1250 1.192,1251 1.498,1252 1.466,1253 0.619,1254 1.491,1255 1.189,1256 1.141,1257 1.436,1258 1.436,1259 0.589,1260 1.43,1261 4.489,1263 5.82,1264 2.398,1265 7.324,1266 4.595,1267 8.909,1268 6.581,1269 10.538,1271 1.21,1272 6.467,1273 13.431,1277 1.023,1278 6.374,1279 5.772,1289 44.664,1290 119.837,1291 263.751,1292 341.156,1293 384.175,1294 384.175,1295 384.175,1296 86.039,1297 8.891,1298 106.35,1299 114.73,1300 29,1301 12.815,1302 4.954,1303 4.087,1304 64.222,1305 236,1306 246,1307 0.127,1308 277.749,1309 478.59,1310 669.468,1311 119639,1312 3,1313 28.114,1314 0.703,1315 0.577,1316 27.994,1317 23.098,1318 19.231,1319 0.437,1320 0.337,1321 12.42,1322 17.419,1323 11.923,1324 9.834,1325 20.053,1326 14.834,1327 18.301,1328 0.295,1329 0.192,1330 19.443,1331 11.883,1332 13.964,1333 0.184,1334 0.095,1335 14.461,1336 7.249,1337 11.62,1338 0.119,1339 0.049,1340 11.935,1341 4.777,1342 9.263,1343 0.075,1344 0.025,1345 9.52,1346 3.131,1347 0.208,1348 133.238,1349 0.184,1350 36.86,1351 0.328,1352 212,1353 728.073,1354 279.714,1355 723.579,1356 959.49,1357 670,1358 244,1359 651.272,1360 313.061,1361 690.535,1362 995.65,1363 645,1364 5}
{0 CHEMBL558752,1 1.859,2 15.514,3 6.607,4 43.648,5 120.68,6 9.782,7 0.659,8 4.14,9 4.241,10 3.906,11 3.631,12 5.441,13 3.695,14 4.683,15 4.815,16 4.421,17 3.997,18 6.599,19 4.072,20 4.805,21 4.965,22 4.34,23 4.068,24 6.253,25 4.114,26 4.895,27 5.085,28 4.275,29 4.037,30 6.334,31 4.074,32 4.791,33 4.996,34 4.103,35 4.001,36 6.06,37 3.997,38 4.741,39 4.935,40 4.143,41 4.003,42 6.101,43 3.988,44 4.747,45 4.941,46 4.074,47 3.937,48 6.053,49 3.946,50 4.679,51 4.874,52 4.136,53 3.832,54 6.21,55 3.859,56 0.433,57 1.298,58 4.994,59 4.463,60 58,61 3.926,62 1.625,63 2.602,64 13.283,65 7.528,66 256.909,67 6.634,68 1.126,69 2.085,70 15.851,71 8.278,72 96.766,73 8.136,74 1.547,75 2.154,76 21.864,77 9.137,78 163.102,79 8.751,80 1.325,81 1.796,82 22.163,83 9.058,84 161.056,85 9.772,86 1.088,87 1.738,88 18.796,89 8.595,90 93.831,91 10.334,92 1.274,93 1.818,94 20.869,95 9.059,96 151.43,97 9.427,98 1.392,99 1.646,100 18.967,101 7.413,102 127.495,103 8.361,104 54,105 62,106 0.303,107 0.633,108 0.765,109 0.865,110 0.865,111 0.865,112 3.642,113 0.779,114 -4.97,115 -4.87,116 -4.57,118 45.3,123 1,130 2,138 9,139 1,140 3,141 1,142 3,147 1,148 1,156 1,157 1,167 5,170 1,171 8,173 3,175 2,178 6,181 1,182 5,184 1,186 3,188 3,191 2,192 5,197 3,199 4,203 2,204 5,206 1,208 2,211 2,215 6,218 1,223 4,228 5,233 2,235 6,239 1,240 3,245 3,247 4,251 2,252 2,255 1,260 1,264 2716,265 24.01,266 24.01,267 24.01,268 24.01,269 24.01,270 20.926,271 25.984,272 13.55,273 25.018,274 20.258,275 20.258,276 20.258,277 20.258,278 20.258,279 15.539,280 34.25,281 6.477,282 22.116,283 3.869,284 1.842,285 1.034,286 0.42,287 0.42,288 0.42,289 4.34,294 1,295 1245,296 4.416,299 199.753,300 366.296,303 165.703,307 2.662,308 69.66,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 87,320 574,321 4.63,322 4.461,323 7.121,324 4.188,325 3.334,326 4.586,327 3.825,328 11.714,329 2.998,330 4.5,331 4.46,332 7.111,333 4.173,334 3.314,335 4.058,336 3.825,337 11.657,338 2.892,339 4.438,340 3.274,341 6.694,342 4.124,343 3.188,344 3.836,345 0.86,346 10.796,347 2.872,348 4.19,349 3.073,350 6.171,351 3.808,352 2.874,353 3.644,354 0.4,355 9.192,356 2.645,357 3.923,358 2.824,359 5.703,360 3.536,361 2.603,362 3.34,364 7.873,365 2.417,366 3.798,367 2.66,368 5.498,369 3.403,370 2.468,371 3.148,373 7.351,374 2.279,375 3.615,376 2.352,377 5.256,378 3.15,379 2.206,380 2.992,382 6.508,383 2.067,384 3.269,385 2.1,386 5.002,387 2.816,388 1.891,389 2.533,391 5.764,392 1.738,393 3.149,394 1.957,395 4.764,396 2.647,397 1.725,398 2.443,400 5.08,401 1.593,402 3.08,403 1.814,404 4.677,405 2.605,406 1.669,407 2.285,409 4.872,410 1.525,411 2.895,412 1.697,413 4.561,414 2.465,415 1.538,416 2.008,417 4.585,418 1.388,419 2.695,420 1.345,421 4.067,422 2.179,423 1.243,424 1.78,425 3.148,426 1.157,427 2.5,428 1.024,429 3.58,430 2,431 1,432 1.5,433 2.443,434 1,435 2.379,436 1.002,437 3.479,438 1.868,439 0.932,440 1.328,441 2.275,442 0.864,443 2.248,444 1,445 3.414,446 1.816,447 0.866,448 1.158,449 2.167,450 0.82,451 16.448,452 0.445,453 1.375,454 0.037,455 50.75,456 1.372,457 25,458 0.676,459 25.75,460 0.696,461 28.591,462 0.773,463 40.552,464 0.765,465 46.425,466 1.255,467 10.476,468 0.283,469 6.993,470 0.189,471 0.135,472 0.061,473 0.328,476 6,478 0.64,479 0.992,480 0.548,481 1.029,482 0.615,483 0.848,484 0.472,485 0.706,486 0.574,487 0.901,488 0.351,489 0.851,490 0.705,491 0.837,492 0.843,493 1.046,494 0.505,495 1.053,496 0.981,497 0.909,498 1.155,499 1.001,500 0.9,501 1.111,502 0.792,503 0.758,504 1.037,505 0.888,506 0.759,507 1.027,508 0.408,509 0.564,510 0.767,511 0.971,512 0.358,513 1.09,514 0.889,515 0.891,516 1.015,517 1.021,518 0.773,519 1.083,520 0.571,521 0.683,522 0.832,523 0.883,524 0.642,525 0.988,526 11,527 0.288,528 4.889,529 3.104,530 2.003,531 1.518,532 0.83,533 0.687,534 0.521,535 0.445,536 23805,537 101580,538 2.054,539 30.2,541 12,542 1,543 1,544 2,549 1.776,550 1.881,551 3.885,552 0.269,558 98.521,559 1.859,560 3.886,561 4.694,562 5.308,563 5.308,564 5.308,565 3.357,566 4.736,567 5.178,568 4.124,569 2746.75,570 9.084,571 46955.7,576 303.58,577 1.718,578 5.11,579 0.268,580 0.008,581 0.079,582 0.053,583 0.038,584 0.032,585 0.017,586 0.015,587 0.012,588 0.011,589 0.533,590 0.17,591 0.75,592 0.823,593 207.618,594 -0.073,595 -0.13,596 0.012,597 -0.074,598 -0.112,599 -0.004,600 0.385,601 0.29,602 0.171,603 0.053,604 0.476,605 -0.007,606 -0.032,607 -0.074,608 -0.043,609 -0.131,610 0.05,611 -0.118,612 -0.127,613 -0.043,614 -0.213,615 -0.064,616 -0.103,617 -0.137,618 -0.066,619 0.011,620 -0.068,621 0.076,622 -0.092,623 0.045,624 0.186,625 0.112,626 0.146,627 -0.015,628 0.137,629 -0.004,630 -0.115,631 -0.115,632 -0.032,633 -0.032,634 -0.076,635 0.002,636 0.241,637 0.13,638 0.143,639 0.058,640 0.098,641 0.03,642 5.832,643 4.842,644 0.703,645 49.779,646 1.058,647 1.161,648 3.738,649 13.971,650 0.683,651 3.738,652 4.143,653 4.369,654 4.615,655 4.828,656 4.977,657 5.1,658 5.263,659 5.38,660 5.537,661 9.177,662 0.705,663 518.46,664 3.738,665 5.333,666 6.188,667 7.094,668 7.967,669 8.87,670 9.749,671 10.651,672 11.534,673 12.436,674 11.3,682 3,684 3,689 2,690 11,691 3,692 1,695 8,696 1,697 27,709 1,714 1,716 53,718 27,719 2,720 41,722 57,723 24,724 21,725 5,726 7,728 5,729 6,732 2,737 2,740 21,741 3,758 6,760 16,761 11,762 2,763 13,766 2,769 6,775 0.8,776 1,787 1,793 2,794 3,797 1,819 4,823 1,825 6,827 37,834 1,835 1,839 2,849 6,850 1.9,855 1,858 19.667,859 9.99,860 7.611,861 2.88,863 5.031,864 1.574,865 1.04,866 6.186,867 13.795,868 4.016,869 4.696,870 5.293,871 5.905,872 6.422,873 6.783,874 7.215,875 7.676,876 8.027,877 8.484,878 1,879 59,880 14.567,881 7.298,882 8.491,883 24.38,884 20.04,885 2.991,886 110.667,890 164.795,891 157.754,892 87.052,894 11,895 89.761,897 157.754,898 175.795,899 176.813,900 8.396,902 94.334,903 64.456,904 172.489,905 13.915,906 141.253,907 15.519,908 164.795,909 244.806,910 100.761,913 164.795,914 100.761,917 73.146,918 121.303,919 50.357,921 254.556,922 98.052,923 157.754,926 180.314,927 30.458,928 113.677,929 34.796,930 151.117,931 164.795,932 187.813,933 157.754,935 0.61,936 0.337,937 0.166,938 0.089,939 32,940 15,941 0.088,942 5,943 1,944 1.077,945 4.726,946 359.01,947 0.077,948 26,949 179.24,954 24.82,955 9.222,956 5.313,957 1.275,958 169.128,959 14.794,960 12.061,961 2.459,964 -0.163,965 1.733,966 34.796,967 510.362,968 54.5,980 56.083,981 61.559,983 0.325,984 0.678,985 0.82,986 0.927,987 0.927,988 0.927,989 5.297,990 1.891,991 6.252,992 6.508,993 4.828,994 5.384,995 3.749,996 7.132,997 4.66,998 6.564,999 1.725,1000 7.869,1001 5.764,1002 4.745,1003 5.352,1004 4.586,1005 8.37,1006 4.369,1007 7.914,1008 1.669,1009 9.595,1010 5.08,1011 6.569,1012 7.656,1013 6.114,1014 11.355,1015 6.208,1016 9.298,1017 1.538,1018 11.385,1019 4.872,1020 7.238,1021 8.385,1022 7.382,1023 13.352,1024 6.661,1025 10.709,1026 1.243,1027 13.216,1028 4.585,1029 8.63,1030 10.213,1031 8.751,1032 15.949,1033 8.036,1034 12.141,1035 1,1036 15.075,1037 3.148,1038 9.599,1039 11.309,1040 10.082,1041 18.224,1042 8.815,1043 13.587,1044 0.932,1045 16.954,1046 2.443,1047 10.848,1048 12.937,1049 11.427,1050 20.709,1051 10.007,1052 3.334,1053 0.866,1054 18.848,1055 2.275,1056 11.941,1057 14.225,1058 12.767,1059 23.087,1060 10.938,1061 3.314,1062 11.714,1063 20.754,1064 2.167,1065 13.142,1066 15.768,1067 14.11,1068 25.54,1069 12.054,1070 3.188,1071 11.657,1072 22.669,1073 4.586,1074 14.287,1075 17.157,1076 15.451,1077 27.957,1078 13.056,1079 2.874,1080 10.796,1081 24.591,1082 4.058,1083 15.474,1084 18.666,1085 16.793,1086 30.403,1087 14.142,1088 2.603,1089 9.192,1090 26.52,1091 3.836,1092 16.642,1093 20.109,1094 18.134,1095 32.837,1096 15.179,1097 2.468,1098 7.873,1099 28.452,1100 3.644,1101 17.826,1102 21.609,1103 19.476,1104 35.282,1105 16.254,1106 2.206,1107 7.351,1108 30.389,1109 3.34,1110 19.005,1111 23.081,1112 20.818,1113 37.724,1114 17.308,1115 22456,1116 46668,1117 26.641,1118 36.205,1119 64.499,1120 62.57,1121 63.997,1122 63.718,1123 63.294,1124 83.578,1125 17.821,1126 194.842,1127 57.953,1128 5.411,1129 6.461,1130 6.668,1131 5.281,1132 5.334,1133 7.586,1134 5.335,1135 18.803,1136 4.998,1137 22.93,1138 1.573,1139 1.526,1140 1.561,1141 1.554,1142 1.544,1143 2.038,1144 0.435,1145 4.752,1146 1.413,1147 4.133,1148 4.174,1149 4.105,1150 4,1151 8.517,1152 4.02,1153 3.993,1154 4.044,1155 3.969,1156 3.84,1157 8.509,1158 3.855,1159 3.918,1160 3.946,1161 3.879,1162 3.828,1163 7.999,1164 3.842,1165 3.75,1166 3.789,1167 3.716,1168 3.579,1169 7.999,1170 3.607,1171 3.478,1172 3.53,1173 3.438,1174 3.285,1175 7.999,1176 3.31,1177 3.317,1178 3.37,1179 3.311,1180 3.028,1181 7.999,1182 3.078,1183 3.248,1184 3.307,1185 3.256,1186 2.893,1187 5.092,1188 2.956,1189 3.028,1190 3.117,1191 2.886,1192 2.831,1193 4.997,1194 2.831,1195 0.113,1196 0.109,1197 0.174,1198 0.102,1199 0.081,1200 4.63,1201 0.112,1202 4.461,1203 0.093,1204 7.121,1205 0.286,1206 4.188,1207 0.073,1208 3.334,1209 4.586,1210 3.825,1211 11.714,1212 2.998,1213 1.926,1214 1.904,1215 2.009,1216 2.047,1217 1.136,1218 2.035,1219 1.904,1220 1.878,1221 1.996,1222 2.014,1223 1.097,1224 2.007,1225 1.812,1226 1.778,1227 1.898,1228 1.947,1229 0.956,1230 1.935,1231 1.502,1232 1.457,1233 1.686,1234 1.76,1235 0.754,1236 1.734,1237 1.497,1238 1.427,1239 1.602,1240 1.748,1241 0.64,1242 1.697,1243 1.287,1244 1.229,1245 1.368,1246 1.566,1247 0.394,1248 1.511,1249 1.136,1250 1.084,1251 1.311,1252 1.456,1253 0.357,1254 1.394,1255 0.989,1256 0.936,1257 1.181,1258 1.254,1259 0.218,1260 1.222,1261 4.419,1263 5.802,1264 3.045,1265 7.352,1266 5.416,1267 8.971,1268 7.535,1269 10.627,1271 1.746,1273 76.921,1278 2.993,1279 5.855,1283 -9.006,1289 37.357,1290 98.521,1291 205.977,1292 248.786,1293 281.315,1294 281.315,1295 281.315,1296 82.394,1297 8.764,1298 80.65,1299 80.65,1300 28,1301 12.96,1302 4.807,1303 3.858,1304 57.142,1305 206,1306 182,1307 0.134,1308 220.842,1309 386.99,1310 530.615,1311 95195,1312 11.3,1313 26.372,1314 0.713,1315 0.509,1316 21.372,1317 18.816,1318 17.469,1319 0.426,1320 0.26,1321 10.358,1322 16.34,1323 10.267,1324 8.401,1325 15.047,1326 10.649,1327 17.942,1328 0.289,1329 0.128,1330 14.026,1331 7.956,1332 13.736,1333 0.176,1334 0.069,1335 11.838,1336 5.399,1337 11.196,1338 0.112,1339 0.036,1340 9.944,1341 3.565,1342 8.793,1343 0.071,1344 0.019,1345 8.087,1346 2.301,1347 0.218,1348 112.888,1349 0.194,1350 34.306,1351 0.349,1352 206,1353 1013.65,1354 256.481,1355 814.754,1356 1064.34,1357 754,1358 243,1359 758.766,1360 282.163,1361 724.807,1362 1103.63,1363 680,1364 5}
{0 CHEMBL565612,1 1.568,2 10.576,3 3.484,4 12.137,5 126.137,6 7.973,7 0.553,8 4.142,9 4.259,10 3.781,11 3.707,12 5.259,13 3.706,14 4.687,15 4.854,16 4.185,17 4.138,18 5.795,19 4.121,20 4.921,21 5.109,22 4.258,23 4.284,24 5.987,25 4.242,26 4.999,27 5.212,28 4.281,29 4.28,30 6.158,31 4.235,32 4.98,33 5.19,34 4.334,35 4.26,36 6.153,37 4.244,38 4.917,39 5.065,40 4.378,41 4.284,42 6.223,43 4.279,44 5.013,45 5.188,46 4.284,47 4.313,48 6.232,49 4.273,50 5.035,51 5.246,52 4.106,53 4.249,54 6.118,55 4.168,56 0.045,57 0.876,58 9.78,59 4.486,60 7.239,61 5.62,62 0.346,63 1.468,64 19.644,65 7.588,66 23.924,67 9.88,68 0.274,69 1.74,70 26.568,71 10.453,72 30.947,73 13.676,74 0.457,75 1.854,76 30.641,77 11.014,78 72.841,79 15.029,80 0.52,81 1.826,82 30.38,83 10.219,84 53.635,85 13.6,86 0.45,87 1.738,88 24.911,89 9.731,90 52.452,91 11.85,92 0.475,93 1.836,94 29.331,95 10.957,96 70.237,97 13.597,98 0.493,99 1.815,100 32.545,101 11.952,102 73.704,103 15.356,104 10,105 56,106 0.253,107 0.608,108 0.725,109 0.819,110 0.854,111 0.86,112 3.533,113 0.866,114 -3.81,115 -3.77,116 -3.59,118 45.5,123 1,124 4,133 2,138 8,139 3,142 2,146 1,147 1,148 1,153 2,167 11,170 3,171 6,173 2,175 5,178 12,181 1,182 7,186 4,188 10,191 2,192 11,195 1,197 4,199 8,203 3,204 10,206 1,207 1,208 2,211 8,214 2,215 10,218 4,220 5,223 6,227 2,228 13,233 3,235 6,240 8,243 2,245 2,247 6,251 1,252 6,255 1,257 1,260 6,264 1876,265 22.723,266 22.723,267 22.723,268 22.723,269 22.723,270 19.964,271 17.659,272 13.165,273 23.117,274 18.785,275 18.785,276 18.785,277 18.785,278 18.785,279 14.423,280 23.387,281 6.26,282 19.403,283 4.213,284 2.011,285 1.286,286 0.705,287 0.486,288 0.45,289 4.253,293 1,294 1,295 788,296 2.55,299 129.391,300 309.87,303 110.87,304 128.062,307 1.442,308 33.971,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 71,320 349,321 4.785,322 3.836,323 7.159,324 4.391,325 3.397,326 4.623,327 1.2,328 12.545,329 3.375,330 4.539,331 3.303,332 6.661,333 4.07,334 3.099,335 4.477,336 0.8,337 10.735,338 3.019,339 4.285,340 3.199,341 6.323,342 3.838,343 2.869,344 3.901,345 0.8,346 9.55,347 2.79,348 3.905,349 3.047,350 6.074,351 3.642,352 2.698,353 3.237,354 0.8,355 8.775,356 2.519,357 3.564,358 2.92,359 5.659,360 3.195,361 2.269,362 2.904,364 7.191,365 2.192,366 3.393,367 2.586,368 5.157,369 3.182,370 2.193,371 2.677,373 6.091,374 2.07,375 3.355,376 2.358,377 5.045,378 2.962,379 1.975,380 2.416,382 5.954,383 1.939,384 3.166,385 2.006,386 4.867,387 2.694,388 1.667,389 2.326,391 4.876,392 1.697,393 3.046,394 1.667,395 4.504,396 2.518,397 1.554,398 2.312,400 4.27,401 1.501,402 2.946,403 1.546,404 4.394,405 2.507,406 1.546,407 2.125,409 3.961,410 1.482,411 2.839,412 1.463,413 4.11,414 2.319,415 1.324,416 1.898,417 3.45,418 1.314,419 2.638,420 1.349,421 3.725,422 2.244,423 1.289,424 1.672,425 2.957,426 1.226,427 2.544,428 1.146,429 3.601,430 2.054,431 1.069,432 1.526,433 2.663,434 1.049,435 2.276,436 1.136,437 3.563,438 1.967,439 1,440 1.152,441 2.275,442 0.965,443 2,444 0.897,445 3.414,446 1.769,447 0.8,448 1,449 2.099,450 0.773,451 15.567,452 0.472,453 0.833,454 0.025,455 46,456 1.394,457 23,458 0.697,459 23,460 0.697,461 27.02,462 0.819,463 33.633,464 0.612,465 38.417,466 1.164,467 9.165,468 0.278,469 6.933,470 0.21,471 0.075,473 0.405,478 0.752,479 1.343,480 0.703,481 1.003,482 0.535,483 0.865,484 0.75,485 0.914,486 0.802,487 0.801,488 0.512,489 0.794,490 0.933,491 1.099,492 0.898,493 1.013,494 0.849,495 0.957,496 0.796,497 1.077,498 0.835,499 0.949,500 0.646,501 0.897,502 1.067,503 0.863,504 0.777,505 0.749,506 1.006,507 0.709,508 1.234,509 1.132,510 0.951,511 1.078,512 1.433,513 0.996,514 1.392,515 1.115,516 1.153,517 1.11,518 1.538,519 1.1,520 1.328,521 1.052,522 1.202,523 1.121,524 1.505,525 1.15,526 5.5,527 0.138,528 4,529 2.639,530 2.036,531 1.601,532 1.048,533 0.699,534 0.477,535 0.248,536 14350,537 35642,538 2.203,539 40,541 19,542 1,544 2,549 1.762,550 2.084,551 3.334,552 0.192,554 1,558 86.261,559 1.568,560 3.771,561 4.495,562 5.077,563 5.295,564 5.331,565 2.795,566 4.863,567 5.016,568 3.458,569 1825.73,570 8.839,571 25500.1,573 1,576 317.975,577 1.337,578 4.987,579 0.145,580 0.006,581 0.071,582 0.045,583 0.035,584 0.025,585 0.016,586 0.012,587 0.01,588 0.007,589 0.372,590 0.5,591 0.88,592 0.467,593 169.754,594 -0.059,595 -0.204,596 0.059,597 -0.043,598 -0.035,599 0.015,600 0.092,601 0.209,602 0.056,603 0.137,604 0.072,605 0.101,606 -0.059,607 -0.075,608 0.016,609 -0.032,610 -0.023,611 -0.001,612 0.122,613 -0.063,614 0.131,615 0.018,616 0.198,617 0.071,618 0.055,619 0.18,620 0.207,621 0.191,622 0.065,623 0.225,624 0.06,625 -0.068,626 -0.053,627 -0.133,628 0.035,629 -0.118,630 -0.149,631 -0.097,632 -0.213,633 -0.148,634 -0.106,635 -0.182,636 -0.171,637 -0.093,638 -0.207,639 -0.137,640 -0.19,641 -0.176,642 2.103,643 6.12,644 0.909,645 28.511,646 1.006,647 1.122,648 2.584,649 6.676,650 0.692,651 3.664,652 4.043,653 4.407,654 4.771,655 5.063,656 5.231,657 5.455,658 5.652,659 5.793,660 5.9,661 6.158,662 0.669,663 438.53,664 3.664,665 5.242,666 6.138,667 7.057,668 7.973,669 8.901,670 9.827,671 10.759,672 11.689,673 12.623,674 10.9,677 1,680 1,681 1,682 1,684 2,689 4,690 9,691 2,692 1,695 3,697 21,711 1,716 55,718 24,719 2,720 38,722 60,723 25,724 16,725 4,726 8,727 4,728 6,729 8,740 20,741 5,744 3,749 2,753 4,757 1,760 22,761 7,762 2,763 8,769 6,772 1,775 0.667,776 2,788 1,789 1,793 2,794 4,797 1,798 1,812 2,816 1,819 4,823 1,827 33,833 4,834 1,838 2,850 3.6,853 2,858 15.833,859 10.383,860 7.028,861 3.35,863 4.638,864 1.531,865 1.067,866 4.752,867 13.373,868 3.961,869 4.623,870 5.314,871 6.003,872 6.619,873 7.061,874 7.594,875 8.085,876 8.477,877 8.836,878 1,879 59,880 12.282,881 5.505,882 7.722,883 23.447,884 20.12,885 2.222,886 73.333,889 1,890 235.422,891 134.733,892 74.616,894 50.29,897 134.733,898 285.712,899 74.616,900 8.396,901 26.434,902 84.857,903 93.27,904 42.638,905 15.814,906 223.651,908 235.422,909 209.349,910 50.29,913 235.422,914 50.29,917 53.143,918 122.634,919 33.571,921 235.422,922 124.906,923 134.733,926 235.422,927 41.479,928 99.502,929 34.796,930 83.861,931 235.422,932 124.906,933 134.733,935 0.591,936 0.359,937 0.21,938 0.121,939 31,940 13,941 0.05,942 3,943 2,944 1.133,945 4.232,946 347.811,947 0.133,948 30,949 160.465,954 20.101,955 7.802,956 3.323,957 3.27,958 108.12,959 17.137,960 9.66,961 3.206,964 1.751,966 34.796,967 495.061,968 51.5,973 26.127,977 -0.221,980 55.334,981 61.73,983 0.271,984 0.652,985 0.777,986 0.878,987 0.916,988 0.922,989 5.227,990 1.667,991 6.142,992 5.954,993 4.727,994 5.311,995 1.957,996 7.029,997 4.669,998 6.458,999 1.554,1000 7.742,1001 4.876,1002 4.369,1003 5.207,1004 0.57,1005 8.065,1006 4.294,1007 7.793,1008 1.546,1009 9.445,1010 4.27,1011 6.385,1012 7.606,1013 1.93,1014 11.243,1015 6.277,1016 9.168,1017 1.324,1018 11.21,1019 3.961,1020 6.878,1021 8.379,1022 0.479,1023 13.149,1024 6.764,1025 10.58,1026 1.289,1027 13.015,1028 3.45,1029 8.362,1030 10.247,1031 2.084,1032 15.851,1033 8.222,1034 12.02,1035 1.069,1036 14.85,1037 2.957,1038 9.242,1039 11.425,1040 0.346,1041 18.107,1042 9.101,1043 13.48,1044 1,1045 16.706,1046 2.663,1047 10.526,1048 13.08,1049 2.33,1050 20.663,1051 10.369,1052 3.397,1053 0.8,1054 18.578,1055 2.275,1056 11.579,1057 14.443,1058 0.237,1059 23.063,1060 11.422,1061 3.099,1062 12.545,1063 20.463,1064 2.099,1065 12.793,1066 16.011,1067 2.626,1068 25.577,1069 12.626,1070 2.869,1071 10.735,1072 22.358,1073 4.623,1074 13.923,1075 17.457,1076 0.158,1077 28.039,1078 13.755,1079 2.698,1080 9.55,1081 24.262,1082 4.477,1083 15.116,1084 18.99,1085 2.95,1086 30.546,1087 14.942,1088 2.269,1089 8.775,1090 26.173,1091 3.901,1092 16.281,1093 20.473,1094 0.104,1095 33.036,1096 16.106,1097 2.193,1098 7.191,1099 28.09,1100 3.237,1101 17.472,1102 21.994,1103 3.29,1104 35.545,1105 17.293,1106 1.975,1107 6.091,1108 30.012,1109 2.904,1110 18.655,1111 23.494,1112 0.068,1113 38.051,1114 18.474,1115 13114,1116 20877,1117 26.065,1118 38.034,1119 59.177,1120 60.389,1121 60.482,1122 58.457,1123 58.474,1124 77.928,1125 7.2,1126 177.199,1127 56.762,1128 5.785,1129 5.836,1130 6.841,1131 5.466,1132 5.397,1133 7.623,1134 2.4,1135 20.276,1136 5.375,1137 12.907,1138 1.557,1139 1.589,1140 1.592,1141 1.538,1142 1.539,1143 2.051,1144 0.189,1145 4.663,1146 1.494,1147 4.17,1148 4.198,1149 4.141,1150 4.088,1151 7.45,1152 4.097,1153 4.049,1154 4.084,1155 4.015,1156 3.961,1157 7.408,1158 3.969,1159 3.809,1160 3.882,1161 3.74,1162 3.63,1163 5.054,1164 3.65,1165 3.762,1166 3.783,1167 3.688,1168 3.609,1169 4.96,1170 3.62,1171 3.389,1172 3.459,1173 3.31,1174 3.236,1175 4.496,1176 3.242,1177 3.367,1178 3.43,1179 3.27,1180 3.16,1181 4.345,1182 3.188,1183 3.131,1184 3.221,1185 2.99,1186 2.941,1187 4.298,1188 2.917,1189 3.111,1190 3.206,1191 2.874,1192 2.914,1193 4.143,1194 2.91,1195 0.126,1196 0.101,1197 0.188,1198 0.116,1199 0.089,1200 4.785,1201 0.122,1202 3.836,1203 0.032,1204 7.159,1205 0.33,1206 4.391,1207 0.089,1208 3.397,1209 4.623,1210 1.2,1211 12.545,1212 3.375,1213 2.029,1214 2.006,1215 2.093,1216 2.135,1217 1.292,1218 2.122,1219 1.933,1220 1.91,1221 2.025,1222 2.012,1223 1.208,1224 2.018,1225 1.758,1226 1.684,1227 1.969,1228 1.975,1229 1.143,1230 1.98,1231 1.64,1232 1.617,1233 1.72,1234 1.772,1235 0.849,1236 1.758,1237 1.383,1238 1.339,1239 1.564,1240 1.627,1241 0.825,1242 1.586,1243 1.247,1244 1.196,1245 1.513,1246 1.557,1247 0.657,1248 1.527,1249 1.214,1250 1.153,1251 1.475,1252 1.467,1253 0.529,1254 1.461,1255 1.153,1256 1.064,1257 1.343,1258 1.376,1259 0.341,1260 1.429,1261 4.344,1263 5.707,1264 3.045,1265 7.272,1266 5.476,1267 8.929,1268 7.627,1269 10.637,1271 2.094,1277 3.42,1278 2.491,1282 4.399,1289 36.772,1290 86.261,1291 207.392,1292 247.22,1293 279.22,1294 291.22,1295 293.22,1296 54.819,1297 8.736,1298 97.98,1299 97.98,1300 34,1301 13.123,1302 4.644,1303 3.858,1304 42.801,1305 118,1306 147,1307 0.173,1308 219.848,1309 375.2,1310 528.189,1311 83396,1313 22.526,1314 0.683,1315 0.549,1316 22.526,1317 18.13,1318 16.097,1319 0.424,1320 0.289,1321 10.813,1322 15.508,1323 10.593,1324 8.711,1325 16.097,1326 10.97,1327 14.918,1328 0.266,1329 0.151,1330 14.918,1331 8.461,1332 13.305,1333 0.164,1334 0.079,1335 13.305,1336 6.404,1337 12.018,1338 0.103,1339 0.039,1340 12.018,1341 4.619,1342 10.223,1343 0.065,1344 0.021,1345 10.223,1346 3.284,1347 0.262,1348 100.69,1349 0.196,1350 29.718,1351 0.511,1352 188,1353 520.717,1354 204.64,1355 508.935,1356 712.49,1357 478,1358 231,1359 540.709,1360 248.864,1361 549.449,1362 820.52,1363 519,1364 5}
{0 CHEMBL565871,1 1.675,2 8.613,3 4.091,4 16.735,5 112.647,6 8.349,7 0.6,8 4.062,9 4.165,10 3.725,11 3.563,12 5.278,13 3.592,14 4.569,15 4.719,16 4.149,17 3.972,18 5.777,19 3.992,20 4.75,21 4.883,22 4.29,23 4.127,24 6.004,25 4.146,26 4.905,27 5.058,28 4.31,29 4.182,30 6.25,31 4.188,32 4.958,33 5.156,34 4.278,35 4.224,36 6.081,37 4.2,38 4.945,39 5.133,40 4.248,41 4.242,42 6.073,43 4.212,44 4.931,45 5.107,46 4.233,47 4.229,48 6.115,49 4.197,50 4.964,51 5.133,52 4.169,53 4.15,54 6.247,55 4.113,56 0.136,57 0.783,58 8.262,59 4.022,60 11.055,61 4.575,62 0.502,63 1.261,64 16.799,65 6.726,66 26.767,67 8.112,68 0.465,69 1.473,70 19.168,71 8.135,72 35.338,73 9.484,74 0.801,75 1.658,76 24.387,77 8.928,78 92.332,79 10.354,80 0.758,81 1.746,82 28.16,83 9.881,84 42.762,85 12.858,86 0.64,87 1.691,88 27.346,89 10.33,90 50.977,91 12.936,92 0.562,93 1.647,94 25.818,95 10.446,96 46.592,97 12.846,98 0.767,99 1.581,100 27.716,101 11.054,102 66.104,103 13.24,104 38,105 53,106 0.277,107 0.674,108 0.798,109 0.863,110 0.885,111 0.885,112 3.474,113 0.82,114 -3.73,115 -3.7,116 -3.52,118 44,119 1,123 2,138 7,139 2,140 3,143 1,147 1,148 2,153 1,154 1,157 1,167 8,170 5,171 3,173 3,175 2,178 7,181 3,182 7,184 1,186 3,188 5,191 5,192 9,195 1,197 1,199 2,203 4,204 10,206 2,211 4,214 1,215 10,218 1,220 1,223 7,227 1,228 10,231 1,233 4,235 7,239 1,240 10,243 2,245 6,247 4,251 1,252 7,255 2,256 1,257 3,260 1,264 1562,265 20.922,266 20.922,267 20.922,268 20.922,269 20.922,270 18.222,271 22.345,272 11.791,273 21.467,274 17.151,275 17.151,276 17.151,277 17.151,278 17.151,279 12.84,280 23.5,281 5.45,282 17.982,283 3.969,284 1.564,285 0.813,286 0.42,287 0.285,288 0.285,289 4.176,293 1,294 1,295 582,296 2.828,299 96.511,300 225.191,302 79.198,303 98.739,306 131.317,307 1.288,308 37.472,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 68.5,320 267,321 4.872,322 3.859,323 7.224,324 4.411,325 3.475,326 4.838,327 1.713,328 12.814,329 3.258,330 4.467,331 3.484,332 6.854,333 4.111,334 3.149,335 4.106,336 1.001,337 11.356,338 3.034,339 4.276,340 3.362,341 6.453,342 3.879,343 2.91,344 3.903,345 0.86,346 9.831,347 2.806,348 3.997,349 3.109,350 6.132,351 3.59,352 2.647,353 3.468,354 0.514,355 8.731,356 2.488,357 3.675,358 2.951,359 5.823,360 3.311,361 2.345,362 2.96,364 7.641,365 2.258,366 3.515,367 2.624,368 5.519,369 3.122,370 2.155,371 2.798,373 6.743,374 2.068,375 3.257,376 2.211,377 5.164,378 2.849,379 1.893,380 2.468,382 5.875,383 1.798,384 3.067,385 2.07,386 5.008,387 2.585,388 1.639,389 2.255,391 5.117,392 1.54,393 2.917,394 1.662,395 4.535,396 2.458,397 1.487,398 2.085,400 4.058,401 1.436,402 2.869,403 1.555,404 4.284,405 2.414,406 1.414,407 2.034,409 3.472,410 1.414,411 2.783,412 1.43,413 3.859,414 2.281,415 1.336,416 1.89,417 3.167,418 1.258,419 2.621,420 1.353,421 3.68,422 2.117,423 1.146,424 1.662,425 2.945,426 1.107,427 1.914,428 1.098,429 3.538,430 1.508,431 0.572,432 0.706,433 1.424,434 0.526,435 1.877,436 0.94,437 3.348,438 1.46,439 0.5,440 0.631,441 1.13,442 0.473,443 1.601,444 0.829,445 2.957,446 1.227,447 0.312,448 0.402,449 0.609,450 0.285,451 14.333,452 0.462,453 0.926,454 0.03,455 44.5,456 1.435,457 22.5,458 0.726,459 22,460 0.71,461 24.676,462 0.796,463 32.467,464 0.649,465 38.373,466 1.238,467 9.064,468 0.292,469 5.854,470 0.189,471 0.174,473 0.467,478 0.848,479 1.46,480 0.684,481 1.077,482 0.672,483 0.881,484 0.717,485 0.859,486 0.639,487 0.737,488 0.551,489 0.682,490 0.924,491 1.258,492 0.795,493 1.064,494 0.917,495 0.933,496 1.111,497 1.158,498 1.05,499 1.025,500 1.027,501 1.019,502 0.767,503 0.96,504 0.901,505 0.881,506 0.61,507 0.899,508 0.892,509 0.971,510 0.948,511 0.939,512 0.761,513 0.942,514 0.877,515 1.038,516 0.999,517 1.116,518 0.739,519 1.082,520 1.044,521 1.216,522 1.134,523 1.334,524 0.993,525 1.28,526 5.5,527 0.078,528 4.444,529 3.264,530 2.661,531 1.658,532 1.17,533 0.925,534 0.62,535 0.3,536 10754,537 32655,538 2.1,539 38,540 3,541 13,542 1,544 2,549 1.749,550 1.918,551 3.058,552 0.257,554 1,558 83.765,559 1.675,560 4.08,561 4.83,562 5.223,563 5.359,564 5.359,565 2.502,566 4.672,567 4.926,568 3.239,569 1506.11,570 8.675,571 20220.3,573 1,575 1,576 282.193,577 1.507,578 4.864,579 0.157,580 0.009,581 0.084,582 0.054,583 0.045,584 0.029,585 0.021,586 0.017,587 0.013,588 0.01,589 0.438,590 0.5,591 0.88,592 0.778,593 154.787,594 -0.106,595 -0.308,596 0.045,597 -0.098,598 -0.103,599 -0.014,600 0.141,601 0.267,602 0.203,603 0.214,604 0.054,605 0.21,606 -0.014,607 -0.165,608 0.036,609 -0.098,610 -0.047,611 -0.042,612 -0.049,613 -0.078,614 -0.155,615 -0.091,616 0.021,617 -0.141,618 0.051,619 0.098,620 0.035,621 0.07,622 0.018,623 0.056,624 -0.07,625 0.055,626 -0.026,627 0.044,628 -0.044,629 0.031,630 -0.046,631 -0.02,632 -0.095,633 -0.122,634 -0.006,635 -0.112,636 0.022,637 -0.272,638 -0.174,639 -0.331,640 0.021,641 -0.305,642 2.203,643 5.661,644 0.774,645 25.794,646 1.02,647 1.125,648 2.5,649 6.252,650 0.684,651 3.584,652 3.989,653 4.382,654 4.745,655 5.056,656 5.308,657 5.576,658 5.799,659 5.971,660 6.066,661 5.582,662 0.673,663 417.46,664 3.584,665 5.176,666 6.089,667 7.024,668 7.96,669 8.906,670 9.853,671 10.806,672 11.759,673 12.716,674 10,681 2,682 2,684 1,689 1,690 8,691 1,695 8,696 1,697 21,713 1,714 1,716 50,718 23,719 2,720 35,722 54,723 22,724 17,725 5,726 7,727 1,728 5,729 8,731 1,732 1,740 19,741 3,744 2,749 2,753 2,757 1,760 19,761 7,762 2,763 9,766 2,769 5,772 1,775 0.6,776 4,793 2,794 3,796 1,797 1,800 1,819 3,823 3,827 31,832 1,834 1,835 1,838 1,850 8,852 1,853 2,855 1,858 16.167,859 10.167,860 6.694,861 2.781,863 3.869,864 1.462,865 1.01,866 4.534,867 12.241,868 3.882,869 4.575,870 5.278,871 5.985,872 6.593,873 7.137,874 7.724,875 8.216,876 8.696,877 9.075,878 0.833,879 60,880 11.474,881 5.1,882 7.93,883 21.329,884 17.788,885 2.43,886 75.333,888 1,889 1,890 200.109,891 135.965,892 41.106,894 103.973,897 135.965,898 304.082,899 41.106,900 28.105,901 21.135,902 75.381,903 114.463,904 29.843,905 23.888,906 188.338,908 200.109,909 177.072,910 103.973,913 200.109,914 103.973,917 34.432,918 125.854,919 16.786,921 200.109,922 145.079,923 135.965,926 200.109,927 32.48,928 109.796,929 18.011,930 120.759,931 200.109,932 145.079,933 135.965,935 0.598,936 0.378,937 0.212,938 0.119,939 29,940 14,941 0.056,942 3,943 2,944 1.167,945 3.897,946 320.534,947 0.167,948 24,949 153.58,954 19.664,955 7.147,956 2.846,957 0.434,958 141.894,959 14.484,960 4.637,964 4.153,965 1.852,966 60.694,967 481.153,968 47.5,973 24.743,977 -1.062,980 51.003,981 56.236,983 0.297,984 0.723,985 0.856,986 0.926,987 0.949,988 0.949,989 5.16,990 1.639,991 6.12,992 5.875,993 4.673,994 5.263,995 2.286,996 7.052,997 4.58,998 6.418,999 1.487,1000 7.757,1001 5.117,1002 4.443,1003 5.263,1004 1.305,1005 8.169,1006 4.297,1007 7.773,1008 1.414,1009 9.495,1010 4.058,1011 6.382,1012 7.584,1013 2.764,1014 11.36,1015 6.189,1016 9.167,1017 1.336,1018 11.29,1019 3.472,1020 6.976,1021 8.426,1022 2.473,1023 13.303,1024 6.721,1025 10.596,1026 1.146,1027 13.121,1028 3.167,1029 8.42,1030 10.248,1031 3.533,1032 16.034,1033 8.119,1034 12.049,1035 0.572,1036 14.977,1037 2.945,1038 9.368,1039 11.474,1040 3.63,1041 18.313,1042 9.001,1043 13.522,1044 0.5,1045 16.851,1046 1.424,1047 10.644,1048 13.115,1049 4.46,1050 20.897,1051 10.228,1052 3.475,1053 0.312,1054 18.739,1055 1.13,1056 11.743,1057 14.519,1058 4.762,1059 23.318,1060 11.261,1061 3.149,1062 12.814,1063 20.638,1064 0.609,1065 12.967,1066 16.097,1067 5.464,1068 25.856,1069 12.43,1070 2.91,1071 11.356,1072 22.546,1073 4.838,1074 14.131,1075 17.583,1076 5.873,1077 28.338,1078 13.528,1079 2.647,1080 9.831,1081 24.462,1082 4.106,1083 15.343,1084 19.142,1085 6.504,1086 30.866,1087 14.68,1088 2.345,1089 8.731,1090 26.385,1091 3.903,1092 16.537,1093 20.668,1094 6.97,1095 33.375,1096 15.808,1097 2.155,1098 7.641,1099 28.313,1100 3.468,1101 17.751,1102 22.225,1103 7.562,1104 35.904,1105 16.959,1106 1.893,1107 6.743,1108 30.245,1109 2.96,1110 18.96,1111 23.771,1112 8.059,1113 38.427,1114 18.102,1115 10257,1116 18035,1117 23.005,1118 34.176,1119 54.703,1120 56.916,1121 58.042,1122 54.175,1123 54.214,1124 72.706,1125 8.177,1126 170.395,1127 51.736,1128 5.818,1129 5.859,1130 6.916,1131 5.498,1132 5.475,1133 7.838,1134 3.02,1135 20.638,1136 5.258,1137 17.493,1138 1.563,1139 1.626,1140 1.658,1141 1.548,1142 1.549,1143 2.077,1144 0.234,1145 4.868,1146 1.478,1147 4.226,1148 4.274,1149 4.214,1150 4.057,1151 7.447,1152 4.089,1153 3.896,1154 3.923,1155 3.854,1156 3.811,1157 7.411,1158 3.814,1159 3.864,1160 3.888,1161 3.81,1162 3.758,1163 6.469,1164 3.773,1165 3.612,1166 3.663,1167 3.565,1168 3.37,1169 5.071,1170 3.412,1171 3.249,1172 3.315,1173 3.121,1174 3.026,1175 4.816,1176 3.005,1177 3.217,1178 3.286,1179 3.063,1180 2.973,1181 4.602,1182 2.984,1183 3.171,1184 3.257,1185 3.041,1186 2.954,1187 4.386,1188 2.97,1189 3.081,1190 3.116,1191 2.968,1192 2.85,1193 4.2,1194 2.892,1195 0.139,1196 0.11,1197 0.206,1198 0.126,1199 0.099,1200 4.872,1201 0.138,1202 3.859,1203 0.049,1204 7.224,1205 0.366,1206 4.411,1207 0.093,1208 3.475,1209 4.838,1210 1.713,1211 12.814,1212 3.258,1213 1.959,1214 1.937,1215 2.044,1216 2.062,1217 1.191,1218 2.054,1219 1.871,1220 1.848,1221 1.978,1222 1.984,1223 1.075,1224 1.975,1225 1.718,1226 1.68,1227 1.795,1228 1.946,1229 0.902,1230 1.908,1231 1.455,1232 1.389,1233 1.589,1234 1.727,1235 0.682,1236 1.682,1237 1.347,1238 1.303,1239 1.573,1240 1.547,1241 0.613,1242 1.539,1243 1.207,1244 1.127,1245 1.552,1246 1.508,1247 0.577,1248 1.519,1249 1.197,1250 1.123,1251 1.443,1252 1.418,1253 0.57,1254 1.469,1255 1.097,1256 1.017,1257 1.355,1258 1.406,1259 0.359,1260 1.403,1261 4.263,1263 5.645,1264 3.045,1265 7.233,1266 5.533,1267 8.919,1268 7.766,1269 10.658,1271 4.956,1276 10.282,1278 2.328,1279 5.573,1282 1.301,1289 33.654,1290 83.765,1291 204.012,1292 241.522,1293 261.173,1294 267.928,1295 267.928,1296 56.6,1297 8.373,1298 106.55,1299 106.55,1300 28,1301 13.202,1302 4.585,1303 3.755,1304 43.033,1305 100,1306 103,1307 0.21,1308 202.59,1309 344.88,1310 486.08,1311 46271,1313 21.861,1314 0.705,1315 0.551,1316 21.861,1317 17.08,1318 14.918,1319 0.426,1320 0.273,1321 9.38,1322 14.182,1323 9.11,1324 7.567,1325 14.918,1326 9.572,1327 13.879,1328 0.262,1329 0.137,1330 13.879,1331 7.244,1332 12.896,1333 0.163,1334 0.07,1335 12.896,1336 5.531,1337 11.174,1338 0.098,1339 0.034,1340 11.174,1341 3.901,1342 9.327,1343 0.06,1344 0.017,1345 9.327,1346 2.697,1347 0.311,1348 94.831,1349 0.208,1350 27.854,1351 0.641,1352 176,1353 560.27,1354 198.149,1355 535.142,1356 742.23,1357 500,1358 220,1359 566.187,1360 244.512,1361 570.085,1362 851.77,1363 535,1364 5.921}
{0 CHEMBL566515,1 1.675,2 8.613,3 4.091,4 16.735,5 112.647,6 8.349,7 0.6,8 4.062,9 4.165,10 3.725,11 3.563,12 5.278,13 3.592,14 4.569,15 4.719,16 4.149,17 3.972,18 5.784,19 3.992,20 4.749,21 4.883,22 4.274,23 4.126,24 5.996,25 4.141,26 4.896,27 5.059,28 4.305,29 4.177,30 6.215,31 4.179,32 4.94,33 5.131,34 4.294,35 4.218,36 6.083,37 4.202,38 4.953,39 5.132,40 4.253,41 4.246,42 6.11,43 4.22,44 4.95,45 5.133,46 4.233,47 4.235,48 6.122,49 4.2,50 4.964,51 5.133,52 4.169,53 4.15,54 6.247,55 4.113,56 0.136,57 0.783,58 8.262,59 4.022,60 11.044,61 4.575,62 0.502,63 1.261,64 16.799,65 6.726,66 26.505,67 8.112,68 0.478,69 1.473,70 19.176,71 8.136,72 37.467,73 9.453,74 0.751,75 1.654,76 24.527,77 8.991,78 84.697,79 10.841,80 0.726,81 1.725,82 27.032,83 9.605,84 38.287,85 12.385,86 0.689,87 1.695,88 27.207,89 10.267,90 58.874,91 12.45,92 0.581,93 1.667,94 26.938,95 10.721,96 48.951,97 13.35,98 0.767,99 1.581,100 27.716,101 11.054,102 66.104,103 13.24,104 38,105 53,106 0.277,107 0.674,108 0.807,109 0.872,110 0.885,111 0.885,112 3.474,113 0.82,114 -3.73,115 -3.7,116 -3.52,118 44,119 1,123 2,138 7,139 2,140 3,143 1,147 1,148 2,153 1,154 1,157 1,167 8,170 5,171 3,173 3,175 2,178 8,181 3,182 7,184 1,186 2,188 5,191 5,192 9,195 1,197 1,199 1,203 4,204 10,206 2,208 1,211 4,214 1,215 10,218 1,220 1,223 7,227 1,228 10,231 1,233 4,235 7,239 1,240 10,243 2,245 6,247 4,251 1,252 7,255 2,256 1,257 3,260 1,264 1566,265 20.87,266 20.87,267 20.87,268 20.87,269 20.87,270 18.197,271 23.83,272 11.786,273 21.421,274 17.177,275 17.177,276 17.177,277 17.177,278 17.177,279 12.868,280 24.288,281 5.488,282 18.015,283 3.969,284 1.564,285 0.758,286 0.365,287 0.285,288 0.285,289 4.176,293 1,294 1,295 582,296 2.828,299 96.511,300 225.191,302 79.198,303 98.739,306 131.317,307 1.288,308 37.146,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 68.5,320 267,321 4.871,322 3.859,323 7.222,324 4.409,325 3.474,326 4.838,327 1.713,328 12.807,329 3.254,330 4.451,331 3.481,332 6.845,333 4.099,334 3.139,335 4.071,336 1.001,337 11.33,338 3.017,339 4.227,340 3.358,341 6.333,342 3.828,343 2.853,344 3.862,345 0.86,346 9.523,347 2.77,348 3.984,349 3.016,350 6.127,351 3.577,352 2.634,353 3.447,354 0.514,355 8.699,356 2.475,357 3.657,358 2.934,359 5.77,360 3.285,361 2.316,362 2.947,364 7.488,365 2.234,366 3.513,367 2.583,368 5.28,369 3.108,370 2.148,371 2.815,373 6.284,374 2.049,375 3.362,376 2.373,377 5.117,378 2.963,379 2.001,380 2.614,382 5.763,383 1.914,384 3.074,385 2.094,386 4.946,387 2.666,388 1.695,389 2.26,391 5.269,392 1.64,393 3.066,394 1.87,395 4.826,396 2.585,397 1.639,398 2.254,400 4.955,401 1.54,402 2.917,403 1.645,404 4.356,405 2.458,406 1.487,407 2.085,409 3.698,410 1.436,411 2.721,412 1.368,413 3.994,414 2.203,415 1.249,416 1.804,417 3.109,418 1.185,419 2.513,420 1.223,421 3.667,422 1.998,423 1.013,424 1.512,425 2.773,426 0.996,427 1.914,428 0.963,429 3.533,430 1.499,431 0.561,432 0.696,433 1.393,434 0.515,435 1.873,436 0.937,437 3.347,438 1.457,439 0.5,440 0.63,441 1.13,442 0.473,443 1.601,444 0.829,445 2.931,446 1.226,447 0.31,448 0.402,449 0.609,450 0.284,451 14.333,452 0.462,453 0.943,454 0.03,455 44.5,456 1.435,457 22.5,458 0.726,459 22,460 0.71,461 24.621,462 0.794,463 32.467,464 0.649,465 38.348,466 1.237,467 9.049,468 0.292,469 5.852,470 0.189,471 0.174,473 0.467,478 0.848,479 1.46,480 0.684,481 1.077,482 0.673,483 0.881,484 0.717,485 0.859,486 0.639,487 0.737,488 0.539,489 0.682,490 0.941,491 1.258,492 0.839,493 1.069,494 0.948,495 0.96,496 0.964,497 1.145,498 0.959,499 1.006,500 0.869,501 0.978,502 0.77,503 0.982,504 0.886,505 0.897,506 0.598,507 0.897,508 1.028,509 0.983,510 1.032,511 0.957,512 0.916,513 0.979,514 0.858,515 1.015,516 0.977,517 1.091,518 0.723,519 1.058,520 1.044,521 1.216,522 1.134,523 1.334,524 0.993,525 1.28,526 6,527 0.078,528 4.222,529 3.139,530 2.741,531 1.658,532 1.17,533 0.925,534 0.62,535 0.3,536 10762,537 32679,538 2.1,539 38,540 3,541 13,542 1,544 2,549 1.749,550 1.918,551 3.058,552 0.257,554 1,558 83.765,559 1.675,560 4.08,561 4.886,562 5.279,563 5.359,564 5.359,565 2.502,566 4.478,567 4.926,568 3.239,569 1506.13,570 8.675,571 20238.7,573 1,575 1,576 282.193,577 1.507,578 4.864,579 0.171,580 0.009,581 0.08,582 0.053,583 0.046,584 0.028,585 0.021,586 0.017,587 0.013,588 0.01,589 0.448,590 0.5,591 0.88,592 0.778,593 154.809,594 -0.106,595 -0.308,596 0.045,597 -0.098,598 -0.104,599 -0.014,600 0.141,601 0.267,602 0.203,603 0.214,604 0.067,605 0.21,606 -0.031,607 -0.165,608 -0.009,609 -0.103,610 -0.079,611 -0.069,612 0.015,613 -0.068,614 -0.059,615 -0.067,616 0.075,617 -0.08,618 0.054,619 0.088,620 0.037,621 0.05,622 0.034,623 0.046,624 -0.128,625 0.045,626 -0.115,627 0.021,628 -0.103,629 -0.026,630 -0.034,631 -0.008,632 -0.058,633 -0.095,634 0.004,635 -0.076,636 0.022,637 -0.272,638 -0.174,639 -0.331,640 0.021,641 -0.305,642 2.203,643 5.661,644 0.774,645 25.919,646 1.02,647 1.125,648 2.5,649 6.252,650 0.684,651 3.584,652 3.989,653 4.369,654 4.745,655 5.069,656 5.308,657 5.572,658 5.799,659 5.971,660 6.066,661 5.586,662 0.673,663 417.46,664 3.584,665 5.176,666 6.084,667 7.02,668 7.954,669 8.9,670 9.846,671 10.799,672 11.752,673 12.709,674 10,681 2,682 2,684 1,689 1,690 8,691 1,695 8,696 1,697 21,713 1,714 1,716 50,718 23,719 2,720 35,722 54,723 22,724 17,725 5,726 7,727 1,728 5,729 8,731 1,732 1,740 19,741 3,744 2,749 2,753 2,757 1,760 19,761 7,762 2,763 9,766 2,769 5,772 1,775 0.6,776 4,793 2,794 3,796 1,797 1,800 1,819 3,823 3,827 31,832 1,834 1,835 1,838 1,850 8,852 1,853 2,855 1,858 16.167,859 10.167,860 6.667,861 2.774,863 3.869,864 1.462,865 1.01,866 4.534,867 12.241,868 3.882,869 4.575,870 5.27,871 5.985,872 6.602,873 7.137,874 7.721,875 8.216,876 8.696,877 9.075,878 0.833,879 59,880 11.47,881 5.094,882 7.93,883 21.329,884 17.784,885 2.43,886 75.333,888 1,889 1,890 200.109,891 135.965,892 41.106,894 103.973,897 135.965,898 304.082,899 41.106,900 28.105,901 21.135,902 75.381,903 114.463,904 29.843,905 23.888,906 188.338,908 200.109,909 177.072,910 103.973,913 200.109,914 103.973,917 34.432,918 125.854,919 16.786,921 200.109,922 145.079,923 135.965,926 200.109,927 32.48,928 109.796,929 18.011,930 120.759,931 200.109,932 145.079,933 135.965,935 0.598,936 0.371,937 0.212,938 0.125,939 29,940 14,941 0.056,942 3,943 2,944 1.167,945 3.902,946 320.169,947 0.167,948 24,949 153.58,954 19.664,955 7.147,956 2.923,957 0.434,958 141.894,959 14.325,960 4.637,964 4.359,965 1.852,966 60.694,967 481.153,968 47.5,973 24.743,977 -1.062,980 51.003,981 56.236,983 0.297,984 0.723,985 0.866,986 0.935,987 0.949,988 0.949,989 5.16,990 1.695,991 6.116,992 5.763,993 4.673,994 5.263,995 2.286,996 7.041,997 4.58,998 6.418,999 1.639,1000 7.747,1001 5.269,1002 4.443,1003 5.263,1004 1.305,1005 8.145,1006 4.297,1007 7.771,1008 1.487,1009 9.478,1010 4.955,1011 6.375,1012 7.579,1013 2.764,1014 11.333,1015 6.182,1016 9.163,1017 1.249,1018 11.266,1019 3.698,1020 6.957,1021 8.411,1022 2.473,1023 13.271,1024 6.701,1025 10.587,1026 1.013,1027 13.091,1028 3.109,1029 8.401,1030 10.234,1031 3.533,1032 16.002,1033 8.099,1034 12.037,1035 0.561,1036 14.942,1037 2.773,1038 9.34,1039 11.453,1040 3.63,1041 18.283,1042 8.97,1043 13.507,1044 0.5,1045 16.813,1046 1.393,1047 10.617,1048 13.095,1049 4.46,1050 20.868,1051 10.197,1052 3.474,1053 0.31,1054 18.698,1055 1.13,1056 11.712,1057 14.496,1058 4.762,1059 23.292,1060 11.223,1061 3.139,1062 12.807,1063 20.596,1064 0.609,1065 12.937,1066 16.075,1067 5.464,1068 25.831,1069 12.392,1070 2.853,1071 11.33,1072 22.503,1073 4.838,1074 14.1,1075 17.561,1076 5.873,1077 28.315,1078 13.486,1079 2.634,1080 9.523,1081 24.419,1082 4.071,1083 15.313,1084 19.122,1085 6.504,1086 30.844,1087 14.638,1088 2.316,1089 8.699,1090 26.341,1091 3.862,1092 16.507,1093 20.648,1094 6.97,1095 33.355,1096 15.765,1097 2.148,1098 7.488,1099 28.27,1100 3.447,1101 17.721,1102 22.207,1103 7.562,1104 35.885,1105 16.915,1106 2.001,1107 6.284,1108 30.203,1109 2.947,1110 18.932,1111 23.754,1112 8.059,1113 38.409,1114 18.057,1115 10264,1116 18050,1117 23.005,1118 34.176,1119 54.817,1120 56.848,1121 57.924,1122 54.226,1123 54.251,1124 72.734,1125 8.177,1126 170.133,1127 51.767,1128 5.817,1129 5.859,1130 6.913,1131 5.496,1132 5.474,1133 7.838,1134 3.02,1135 20.613,1136 5.254,1137 17.522,1138 1.566,1139 1.624,1140 1.655,1141 1.549,1142 1.55,1143 2.078,1144 0.234,1145 4.861,1146 1.479,1147 4.226,1148 4.274,1149 4.214,1150 4.057,1151 7.447,1152 4.089,1153 3.895,1154 3.923,1155 3.852,1156 3.811,1157 7.411,1158 3.814,1159 3.864,1160 3.888,1161 3.809,1162 3.758,1163 6.471,1164 3.773,1165 3.612,1166 3.663,1167 3.565,1168 3.37,1169 5.071,1170 3.412,1171 3.249,1172 3.315,1173 3.122,1174 3.028,1175 4.816,1176 3.022,1177 3.218,1178 3.286,1179 3.066,1180 2.972,1181 4.6,1182 2.985,1183 3.201,1184 3.269,1185 3.061,1186 2.954,1187 4.386,1188 2.97,1189 3.069,1190 3.111,1191 2.996,1192 2.848,1193 4.203,1194 2.886,1195 0.139,1196 0.11,1197 0.206,1198 0.126,1199 0.099,1200 4.871,1201 0.138,1202 3.859,1203 0.049,1204 7.222,1205 0.366,1206 4.409,1207 0.093,1208 3.474,1209 4.838,1210 1.713,1211 12.807,1212 3.254,1213 1.959,1214 1.937,1215 2.046,1216 2.062,1217 1.192,1218 2.055,1219 1.871,1220 1.848,1221 1.979,1222 1.984,1223 1.076,1224 1.976,1225 1.718,1226 1.68,1227 1.795,1228 1.946,1229 0.902,1230 1.908,1231 1.455,1232 1.389,1233 1.59,1234 1.727,1235 0.683,1236 1.682,1237 1.348,1238 1.303,1239 1.573,1240 1.546,1241 0.608,1242 1.539,1243 1.2,1244 1.131,1245 1.529,1246 1.508,1247 0.574,1248 1.52,1249 1.197,1250 1.123,1251 1.444,1252 1.434,1253 0.554,1254 1.466,1255 1.098,1256 1.017,1257 1.356,1258 1.406,1259 0.36,1260 1.403,1261 4.263,1263 5.645,1264 3.045,1265 7.229,1266 5.533,1267 8.911,1268 7.766,1269 10.647,1271 5.071,1276 10.12,1278 2.328,1279 5.573,1282 1.301,1289 33.654,1290 83.765,1291 204.012,1292 244.277,1293 263.928,1294 267.928,1295 267.928,1296 55.787,1297 8.373,1298 106.55,1299 106.55,1300 28,1301 13.195,1302 4.585,1303 3.755,1304 43.027,1305 100,1306 103,1307 0.21,1308 202.59,1309 344.88,1310 486.08,1311 46271,1313 21.861,1314 0.705,1315 0.551,1316 21.861,1317 17.08,1318 14.901,1319 0.426,1320 0.273,1321 9.374,1322 14.162,1323 9.101,1324 7.562,1325 14.901,1326 9.566,1327 14.007,1328 0.264,1329 0.138,1330 14.007,1331 7.293,1332 12.647,1333 0.162,1334 0.07,1335 12.647,1336 5.447,1337 11.12,1338 0.098,1339 0.034,1340 11.12,1341 3.886,1342 9.608,1343 0.061,1344 0.017,1345 9.608,1346 2.759,1347 0.311,1348 94.73,1349 0.208,1350 27.859,1351 0.64,1352 176,1353 560.27,1354 198.149,1355 535.425,1356 741.71,1357 500,1358 219,1359 565.187,1360 243.18,1361 569.544,1362 849.43,1363 534,1364 8.549}
{0 CHEMBL566516,1 1.732,2 8.613,3 3.337,4 11.138,5 109.3,6 8.738,7 0.6,8 4.04,9 4.134,10 3.729,11 3.519,12 5.311,13 3.567,14 4.528,15 4.661,16 4.156,17 3.928,18 5.809,19 3.968,20 4.728,21 4.853,22 4.284,23 4.07,24 6.043,25 4.109,26 4.852,27 5.001,28 4.313,29 4.106,30 6.249,31 4.138,32 4.883,33 5.053,34 4.307,35 4.15,36 6.157,37 4.159,38 4.891,39 5.054,40 4.262,41 4.175,42 6.137,43 4.173,44 4.895,45 5.06,46 4.249,47 4.149,48 6.183,49 4.146,50 4.896,51 5.048,52 4.185,53 4.049,54 6.333,55 4.046,56 0.22,57 0.757,58 7.245,59 3.77,60 16.893,61 3.874,62 0.549,63 1.211,64 14.298,65 6.197,66 24.802,67 6.877,68 0.62,69 1.414,70 17.348,71 7.641,72 47.965,73 8.175,74 0.926,75 1.553,76 21.837,77 8.124,78 94.26,79 8.899,80 0.925,81 1.604,82 23.628,83 8.717,84 58.123,85 10.463,86 0.81,87 1.573,88 23.632,89 9.413,90 65.182,91 10.709,92 0.805,93 1.536,94 23.958,95 9.772,96 63.34,97 11.344,98 1.042,99 1.434,100 24.3,101 9.834,102 92.703,103 11.046,104 38,105 53,106 0.288,107 0.68,108 0.791,109 0.866,110 0.896,111 0.896,112 3.474,113 0.796,114 -2.78,115 -2.79,116 -2.71,118 43.8,123 2,138 7,139 1,140 4,143 1,147 1,148 2,153 1,154 1,157 1,167 5,170 5,171 3,173 3,175 4,178 4,181 3,182 6,184 1,186 4,188 3,191 5,192 7,195 2,199 1,203 4,204 8,206 3,207 1,211 3,214 1,215 8,218 2,220 2,223 4,227 1,228 7,231 2,233 5,235 4,239 1,240 8,243 4,244 1,245 6,247 3,251 1,252 6,255 2,256 1,257 3,260 1,264 1566,265 20.87,266 20.87,267 20.87,268 20.87,269 20.87,270 18.197,271 23.561,272 11.786,273 21.455,274 17.177,275 17.177,276 17.177,277 17.177,278 17.177,279 12.868,280 23.98,281 5.488,282 18.085,283 3.853,284 1.498,285 0.832,286 0.381,287 0.198,288 0.198,289 4.176,293 1,294 1,295 582,296 2.828,299 96.511,300 225.191,302 79.198,303 98.739,306 131.317,307 1.288,308 45.468,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 69.5,320 267,321 4.871,322 3.859,323 7.222,324 4.408,325 3.474,326 4.838,327 1.713,328 12.807,329 3.25,330 4.451,331 3.482,332 6.845,333 4.096,334 3.139,335 4.071,336 1.001,337 11.33,338 3.004,339 4.227,340 3.359,341 6.333,342 3.818,343 2.853,344 3.862,345 0.86,346 9.523,347 2.746,348 3.984,349 3.03,350 6.127,351 3.575,352 2.634,353 3.447,354 0.514,355 8.699,356 2.47,357 3.657,358 2.939,359 5.77,360 3.284,361 2.316,362 2.947,364 7.488,365 2.232,366 3.513,367 2.584,368 5.28,369 3.107,370 2.148,371 2.815,373 6.284,374 2.048,375 3.362,376 2.393,377 5.117,378 2.948,379 2.001,380 2.614,382 5.763,383 1.882,384 3.074,385 2.096,386 4.946,387 2.648,388 1.695,389 2.26,391 5.269,392 1.607,393 3.066,394 1.892,395 4.826,396 2.584,397 1.639,398 2.254,400 4.955,401 1.54,402 2.917,403 1.646,404 4.356,405 2.458,406 1.487,407 2.085,409 3.698,410 1.436,411 2.721,412 1.369,413 3.994,414 2.202,415 1.249,416 1.804,417 3.109,418 1.185,419 2.513,420 1.224,421 3.667,422 1.998,423 1.013,424 1.512,425 2.773,426 0.996,427 1.914,428 0.963,429 3.533,430 1.498,431 0.561,432 0.696,433 1.393,434 0.514,435 1.873,436 0.937,437 3.347,438 1.457,439 0.5,440 0.63,441 1.13,442 0.473,443 1.601,444 0.829,445 2.931,446 1.226,447 0.31,448 0.402,449 0.609,450 0.283,451 14.167,452 0.457,453 0.943,454 0.03,455 45.25,456 1.46,457 23,458 0.742,459 22.25,460 0.718,461 23.218,462 0.749,463 32.633,464 0.68,465 39.75,466 1.282,467 9.248,468 0.298,469 5.653,470 0.182,471 0.165,473 0.473,478 0.912,479 1.444,480 0.677,481 1.038,482 0.753,483 0.836,484 0.731,485 0.904,486 0.642,487 0.78,488 0.56,489 0.703,490 0.982,491 1.267,492 0.825,493 1.069,494 0.967,495 0.939,496 1.021,497 1.107,498 0.965,499 0.96,500 0.946,501 0.94,502 0.75,503 0.973,504 0.876,505 0.896,506 0.637,507 0.901,508 0.961,509 1.002,510 0.986,511 0.989,512 0.872,513 0.985,514 0.884,515 1.033,516 0.951,517 1.106,518 0.796,519 1.051,520 0.995,521 1.159,522 1.106,523 1.305,524 1.017,525 1.262,526 6,527 0.078,528 4.222,529 3.139,530 2.741,531 1.658,532 1.17,533 0.925,534 0.62,535 0.3,536 10762,537 35395,538 2.1,539 35.4,541 13,542 1,544 3,549 1.749,550 1.918,551 3.058,552 0.94,553 1,554 1,558 83.133,559 1.732,560 4.087,561 4.753,562 5.204,563 5.387,564 5.387,565 2.502,566 4.478,567 4.926,568 3.239,569 1506.13,570 8.675,571 20238.7,573 1,575 1,576 268.078,577 1.507,578 4.864,579 0.171,580 0.009,581 0.08,582 0.053,583 0.046,584 0.028,585 0.021,586 0.017,587 0.013,588 0.01,589 0.448,590 0.5,591 0.88,592 0.778,593 154.809,594 -0.159,595 -0.295,596 0.017,597 -0.064,598 -0.138,599 0.007,600 0.08,601 0.236,602 0.151,603 0.166,604 0.04,605 0.165,606 -0.082,607 -0.182,608 -0.01,609 -0.107,610 -0.097,611 -0.06,612 -0.035,613 -0.028,614 -0.078,615 -0.031,616 0.016,617 -0.061,618 0.098,619 0.098,620 0.031,621 0.05,622 0.065,623 0.032,624 -0.094,625 0.025,626 -0.084,627 -0.006,628 -0.076,629 -0.028,630 -0.005,631 -0.037,632 -0.027,633 -0.11,634 0.01,635 -0.072,636 0.094,637 -0.218,638 -0.137,639 -0.309,640 0.07,641 -0.296,642 2.255,643 5.612,644 0.774,645 25.919,646 1.03,647 1.126,648 1.551,649 2.405,650 0.685,651 3.584,652 3.989,653 4.369,654 4.745,655 5.069,656 5.308,657 5.572,658 5.799,659 5.971,660 6.066,661 5.586,662 0.684,663 419.43,664 3.584,665 5.176,666 6.084,667 7.02,668 7.954,669 8.9,670 9.846,671 10.799,672 11.752,673 12.709,674 10.4,681 2,682 2,684 1,689 1,690 8,691 1,695 8,696 1,697 21,713 2,714 1,716 48,718 23,719 2,720 35,722 52,723 21,724 17,725 5,726 7,727 1,728 5,729 8,731 1,740 19,741 2,744 2,749 2,753 2,757 1,760 17,761 8,762 3,763 10,766 2,769 5,772 1,775 0.6,776 5,793 2,794 3,796 1,797 1,800 1,819 3,823 2,827 31,832 2,834 1,835 1,838 1,850 10.4,852 2,853 2,855 1,858 16.167,859 9.367,860 6.667,861 2.574,863 3.869,864 1.462,865 0.991,866 4.512,867 12.241,868 3.882,869 4.575,870 5.27,871 5.985,872 6.602,873 7.137,874 7.721,875 8.216,876 8.696,877 9.075,878 0.833,879 59,880 11.489,881 5.182,882 8.059,883 21.03,884 17.552,885 2.559,886 79.333,889 1,890 164.795,891 123.955,892 41.106,894 146.656,897 123.955,898 311.452,899 41.106,900 19.279,901 21.135,902 75.381,903 157.147,904 26.658,905 23.888,906 153.024,908 164.795,909 165.061,910 146.656,913 164.795,914 146.656,917 25.607,918 122.668,919 16.786,921 164.795,922 187.763,923 123.955,926 164.795,927 29.294,928 100.97,929 18.011,930 163.442,931 164.795,932 187.763,933 123.955,935 0.598,936 0.371,937 0.212,938 0.125,939 29,940 14,941 0.058,942 3,943 2,944 1.167,945 3.902,946 320.169,947 0.167,948 24,949 151.58,954 19.628,955 7.126,956 2.913,957 0.323,958 184.577,959 12.964,960 4.556,964 2.168,965 1.692,966 103.377,967 476.513,968 47.5,973 24.66,977 -1.164,980 49.447,981 54.03,983 0.31,984 0.732,985 0.851,986 0.932,987 0.965,988 0.965,989 5.16,990 1.695,991 6.116,992 5.763,993 4.673,994 5.263,995 2.286,996 7.041,997 4.571,998 6.418,999 1.639,1000 7.747,1001 5.269,1002 4.443,1003 5.263,1004 1.305,1005 8.145,1006 4.28,1007 7.771,1008 1.487,1009 9.478,1010 4.955,1011 6.375,1012 7.579,1013 2.764,1014 11.333,1015 6.168,1016 9.163,1017 1.249,1018 11.266,1019 3.698,1020 6.957,1021 8.411,1022 2.473,1023 13.271,1024 6.68,1025 10.587,1026 1.013,1027 13.091,1028 3.109,1029 8.401,1030 10.234,1031 3.533,1032 16.002,1033 8.079,1034 12.037,1035 0.561,1036 14.942,1037 2.773,1038 9.34,1039 11.453,1040 3.63,1041 18.283,1042 8.945,1043 13.507,1044 0.5,1045 16.813,1046 1.393,1047 10.617,1048 13.095,1049 4.46,1050 20.868,1051 10.172,1052 3.474,1053 0.31,1054 18.698,1055 1.13,1056 11.712,1057 14.496,1058 4.762,1059 23.292,1060 11.195,1061 3.139,1062 12.807,1063 20.596,1064 0.609,1065 12.937,1066 16.075,1067 5.464,1068 25.831,1069 12.363,1070 2.853,1071 11.33,1072 22.503,1073 4.838,1074 14.1,1075 17.561,1076 5.873,1077 28.315,1078 13.455,1079 2.634,1080 9.523,1081 24.419,1082 4.071,1083 15.313,1084 19.122,1085 6.504,1086 30.844,1087 14.606,1088 2.316,1089 8.699,1090 26.341,1091 3.862,1092 16.507,1093 20.648,1094 6.97,1095 33.355,1096 15.731,1097 2.148,1098 7.488,1099 28.27,1100 3.447,1101 17.721,1102 22.207,1103 7.562,1104 35.885,1105 16.88,1106 2.001,1107 6.284,1108 30.203,1109 2.947,1110 18.932,1111 23.754,1112 8.059,1113 38.409,1114 18.021,1115 10264,1116 18758,1117 23.005,1118 32.869,1119 54.817,1120 56.907,1121 57.924,1122 54.206,1123 54.251,1124 72.734,1125 8.177,1126 170.133,1127 51.524,1128 5.817,1129 5.859,1130 6.913,1131 5.495,1132 5.474,1133 7.838,1134 3.02,1135 20.613,1136 5.25,1137 17.522,1138 1.566,1139 1.626,1140 1.655,1141 1.549,1142 1.55,1143 2.078,1144 0.234,1145 4.861,1146 1.472,1147 4.225,1148 4.273,1149 4.213,1150 4.051,1151 7.447,1152 4.084,1153 3.882,1154 3.907,1155 3.845,1156 3.787,1157 7.411,1158 3.79,1159 3.859,1160 3.878,1161 3.806,1162 3.753,1163 6.484,1164 3.772,1165 3.61,1166 3.66,1167 3.564,1168 3.369,1169 6.455,1170 3.41,1171 3.249,1172 3.315,1173 3.121,1174 2.973,1175 5.066,1176 2.988,1177 3.217,1178 3.286,1179 3.063,1180 2.957,1181 4.815,1182 2.973,1183 3.089,1184 3.121,1185 3.045,1186 2.855,1187 4.46,1188 2.899,1189 2.994,1190 3.009,1191 2.91,1192 2.756,1193 4.384,1194 2.782,1195 0.139,1196 0.11,1197 0.206,1198 0.126,1199 0.099,1200 4.871,1201 0.138,1202 3.859,1203 0.049,1204 7.222,1205 0.366,1206 4.408,1207 0.093,1208 3.474,1209 4.838,1210 1.713,1211 12.807,1212 3.25,1213 1.941,1214 1.92,1215 2.018,1216 2.055,1217 1.144,1218 2.042,1219 1.855,1220 1.835,1221 1.951,1222 1.979,1223 1.045,1224 1.959,1225 1.716,1226 1.678,1227 1.793,1228 1.936,1229 0.896,1230 1.902,1231 1.455,1232 1.389,1233 1.587,1234 1.726,1235 0.68,1236 1.681,1237 1.346,1238 1.302,1239 1.573,1240 1.545,1241 0.579,1242 1.538,1243 1.197,1244 1.124,1245 1.444,1246 1.508,1247 0.572,1248 1.517,1249 1.098,1250 1.018,1251 1.356,1252 1.406,1253 0.361,1254 1.403,1255 0.88,1256 0.859,1257 1.12,1258 1.204,1259 0.173,1260 1.152,1261 4.263,1263 5.645,1264 3.045,1265 7.229,1266 5.533,1267 8.911,1268 7.766,1269 10.647,1271 3.046,1276 20.507,1278 2.279,1279 5.511,1282 1.252,1289 32.842,1290 83.133,1291 196.162,1292 228.162,1293 249.814,1294 258.568,1295 258.568,1296 62.984,1297 8.373,1298 126.78,1299 126.78,1300 28,1301 13.195,1302 4.585,1303 3.755,1304 43.027,1305 100,1306 103,1307 0.21,1308 196.994,1309 336.37,1310 472.425,1311 46271,1313 21.861,1314 0.705,1315 0.533,1316 21.861,1317 16.527,1318 14.901,1319 0.426,1320 0.265,1321 9.082,1322 14.094,1323 8.889,1324 7.348,1325 14.901,1326 9.29,1327 14.007,1328 0.264,1329 0.132,1330 14.007,1331 6.995,1332 12.647,1333 0.162,1334 0.067,1335 12.647,1336 5.206,1337 11.12,1338 0.098,1339 0.033,1340 11.12,1341 3.729,1342 9.608,1343 0.061,1344 0.017,1345 9.608,1346 2.623,1347 0.311,1348 95.307,1349 0.208,1350 27.859,1351 0.64,1352 176,1353 592.419,1354 200.253,1355 563.013,1356 772.91,1357 524,1358 219,1359 584.217,1360 245.173,1361 586.196,1362 874.31,1363 550,1364 5.301}
{0 CHEMBL566741,1 1.641,2 9.815,3 3.624,4 13.135,5 100.007,6 7.655,7 0.5,8 3.995,9 4.116,10 3.591,11 3.459,12 5.115,13 3.471,14 4.547,15 4.732,16 3.989,17 3.863,18 5.653,19 3.858,20 4.725,21 4.914,22 4.085,23 3.999,24 5.84,25 3.984,26 4.818,27 5.019,28 4.066,29 4.019,30 6.07,31 3.989,32 4.81,33 5.045,34 3.935,35 4.01,36 5.799,37 3.941,38 4.742,39 4.96,40 3.858,41 3.978,42 5.754,43 3.902,44 4.736,45 4.947,46 3.806,47 3.935,48 5.774,49 3.857,50 4.747,51 4.976,52 3.687,53 3.844,54 5.804,55 3.755,56 0.066,57 0.756,58 9.516,59 3.857,60 6.805,61 5.196,62 0.487,63 1.196,64 19.539,65 6.568,66 28.052,67 9.075,68 0.386,69 1.375,70 23.543,71 8.037,72 31.968,73 11.204,74 0.692,75 1.463,76 26.705,77 7.989,78 82.53,79 11.442,80 0.488,81 1.436,82 27.102,83 8.578,84 33.933,85 12.759,86 0.446,87 1.331,88 24.833,89 8.484,90 38.063,91 12.108,92 0.404,93 1.277,94 24.693,95 8.561,96 40.947,97 11.948,98 0.506,99 1.198,100 26.455,101 8.461,102 56.117,103 11.863,104 32,105 44,106 0.277,107 0.647,108 0.816,109 0.844,110 0.844,111 0.844,112 3.341,113 0.89,114 -4.02,115 -3.97,116 -3.76,118 39.6,119 1,120 2,123 2,124 1,138 4,139 1,140 1,143 1,147 1,148 2,153 1,154 1,157 1,167 6,170 5,171 4,173 3,178 5,181 2,182 6,184 1,188 2,191 5,192 9,195 1,199 1,203 2,204 6,206 1,211 3,214 2,215 7,220 1,223 5,227 1,228 6,233 3,235 4,239 1,240 9,245 3,247 2,252 5,257 1,264 1054,265 18.378,266 18.378,267 18.378,268 18.378,269 18.378,270 16.499,271 19.436,272 10.627,273 18.905,274 14.681,275 14.681,276 14.681,277 14.681,278 14.681,279 11.485,280 20.65,281 4.902,282 15.456,283 3.944,284 1.754,285 0.756,286 0.589,287 0.589,288 0.589,289 4.034,292 1,293 1,294 1,295 571,296 3.082,299 89.835,300 137.224,302 73.881,303 89.618,306 120.949,307 1.465,308 27.797,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 59.5,320 265,321 4.831,322 3.857,323 7.135,324 4.367,325 3.432,326 4.797,327 1.713,328 12.457,329 3.212,330 4.334,331 3.432,332 6.653,333 3.987,334 3.03,335 3.886,336 1.001,337 10.643,338 2.902,339 3.994,340 3.255,341 6.065,342 3.579,343 2.623,344 3.509,345 0.86,346 8.473,347 2.495,348 3.722,349 2.874,350 5.76,351 3.361,352 2.407,353 3.017,354 0.514,355 7.557,356 2.29,357 3.563,358 2.726,359 5.308,360 3.18,361 2.22,362 2.85,364 6.717,365 2.114,366 3.321,367 2.33,368 5.17,369 2.946,370 1.986,371 2.526,373 5.993,374 1.894,375 3.06,376 2.05,377 5,378 2.652,379 1.686,380 2.219,382 5.121,383 1.622,384 2.784,385 1.491,386 4.487,387 2.348,388 1.391,389 1.889,391 4.068,392 1.325,393 2.508,394 1.462,395 3.857,396 2.267,397 1.31,398 1.502,400 2.871,401 1.246,402 2.5,403 1.158,404 3.414,405 2,406 1,407 1.5,409 2.275,410 1,411 1.982,412 1.034,413 3.381,414 1.646,415 0.71,416 0.841,417 1.675,418 0.66,419 1.895,420 1,421 3.345,422 1.496,423 0.499,424 0.638,425 1.19,426 0.489,427 1.643,428 0.856,429 2.917,430 1.336,431 0.457,432 0.526,433 0.734,434 0.398,435 1.273,436 0.717,437 2.695,438 1.059,439 0.091,440 0.106,441 0.171,442 0.088,443 1,444 0.157,445 2.499,446 0.558,447 -0.407,448 -0.479,449 -0.84,450 -0.383,451 12.5,452 0.463,453 0.713,454 0.026,455 35.25,456 1.306,457 16,458 0.593,459 19.25,460 0.713,461 22.331,462 0.827,463 29.5,464 0.615,465 27.549,466 1.02,467 6.9,468 0.256,469 6.145,470 0.228,471 0.173,473 0.416,478 0.786,479 1.66,480 0.734,481 1.249,482 0.548,483 1.016,484 0.744,485 0.882,486 0.729,487 0.787,488 0.518,489 0.759,490 0.897,491 1.218,492 0.783,493 1.019,494 0.857,495 0.901,496 0.98,497 1.07,498 1.026,499 0.972,500 0.923,501 0.99,502 0.72,503 1.016,504 0.943,505 0.972,506 0.63,507 0.98,508 0.805,509 1.023,510 1.032,511 1.05,512 0.806,513 1.072,514 0.952,515 1.118,516 1.107,517 1.195,518 0.942,519 1.181,520 1.152,521 1.03,522 1.142,523 1.114,524 1.216,525 1.128,526 5,527 0.107,528 3.556,529 2.549,530 2.168,531 1.324,532 0.78,533 0.598,534 0.379,535 0.254,536 7833,537 21869,538 2.075,539 43.8,540 5,541 12,542 1,544 1,546 2,549 1.707,550 1.906,551 3.229,552 -0.272,554 1,558 78.764,559 1.641,560 3.831,561 4.829,562 4.996,563 4.996,564 4.996,565 2.742,566 4.459,567 4.719,568 3.379,569 1186.04,570 8.234,571 14565.3,573 1,575 1,576 268.078,577 1.506,578 4.668,579 0.167,580 0.009,581 0.081,582 0.053,583 0.048,584 0.033,585 0.021,586 0.018,587 0.013,588 0.012,589 0.455,590 0.33,591 1,592 1.257,593 130.965,594 -0.054,595 -0.419,596 0.072,597 -0.181,598 -0.038,599 -0.055,600 0.186,601 0.258,602 0.187,603 0.192,604 0.1,605 0.179,606 0.014,607 -0.141,608 0.139,609 -0.013,610 0.01,611 0.067,612 0.05,613 0.018,614 -0.075,615 -0.026,616 0.14,617 -0.067,618 0.016,619 0.03,620 -0.002,622 0.017,623 0.002,624 -0.031,625 0.018,626 -0.106,627 -0.044,628 -0.042,629 -0.079,630 -0.084,631 -0.106,632 -0.171,633 -0.182,634 -0.074,635 -0.189,636 -0.125,637 -0.089,638 -0.153,639 -0.128,640 -0.111,641 -0.142,642 2.135,643 5.426,644 0.667,645 24.705,646 1.012,647 1.134,648 2.792,649 7.796,650 0.656,651 3.434,652 3.807,653 4.174,654 4.522,655 4.82,656 5.069,657 5.283,658 5.447,659 5.572,660 5.609,661 5.739,662 0.635,663 367.45,664 3.434,665 5.004,666 5.9,667 6.821,668 7.745,669 8.682,670 9.619,671 10.563,672 11.506,673 12.455,674 10.4,681 2,682 2,684 1,689 1,690 5,691 1,695 5,696 1,697 15,714 1,716 48,718 17,719 1,720 30,722 51,723 19,724 11,725 2,726 4,727 1,728 4,729 7,731 1,732 1,738 2,740 13,741 6,744 2,749 2,753 2,756 1,757 1,760 21,761 6,762 1,763 8,766 2,769 5,772 1,775 0.5,776 3,793 2,794 2,796 1,797 1,800 1,819 2,823 3,827 27,833 3,834 1,835 1,838 1,850 6.3,853 2,855 1,858 14.167,859 9.717,860 6,861 3.01,863 3.022,864 1.384,865 0.998,866 4.598,867 10.891,868 3.701,869 4.35,870 5.035,871 5.731,872 6.302,873 6.842,874 7.36,875 7.75,876 8.173,877 8.476,878 0.857,879 48,880 9.999,881 4.319,882 7.827,883 18.925,884 15.565,885 2.327,886 62.833,889 1,890 235.422,891 108.769,892 41.106,894 61.29,897 108.769,898 296.712,899 41.106,900 28.105,901 28.31,902 46.952,903 71.78,904 23.901,905 23.888,906 223.651,908 235.422,909 149.875,910 61.29,913 211.88,914 84.832,917 41.607,918 91.483,919 16.786,921 235.422,922 102.396,923 108.769,926 235.422,927 33.712,928 81.367,929 18.011,930 78.075,931 235.422,932 102.396,933 108.769,935 0.584,936 0.36,937 0.2,938 0.118,939 23,940 11,941 0.098,942 5,943 2,944 1.222,945 3.715,946 248.113,947 0.222,948 18,949 124.382,954 17.922,955 6.926,956 2.882,957 0.649,958 99.21,959 9.687,960 4.613,964 3.505,965 2.092,966 18.011,967 446.587,968 39.5,973 24.324,977 -0.904,980 48.56,981 54.441,983 0.294,984 0.686,985 0.865,986 0.895,987 0.895,988 0.895,989 4.968,990 1.391,991 5.916,992 5.121,993 4.489,994 5.037,995 2.286,996 6.821,997 4.388,998 6.204,999 1.31,1000 7.534,1001 4.068,1002 4.205,1003 5.027,1004 1.305,1005 7.895,1006 4.048,1007 7.547,1008 1,1009 9.254,1010 2.871,1011 6.168,1012 7.334,1013 2.764,1014 11.069,1015 5.955,1016 8.933,1017 0.71,1018 11.032,1019 2.275,1020 6.723,1021 8.187,1022 2.473,1023 12.983,1024 6.442,1025 10.353,1026 0.499,1027 12.847,1028 1.675,1029 8.175,1030 9.996,1031 3.533,1032 15.698,1033 7.842,1034 11.801,1035 0.457,1036 14.689,1037 1.19,1038 9.099,1039 11.237,1040 3.63,1041 17.958,1042 8.694,1043 13.268,1044 0.091,1045 16.551,1046 0.734,1047 10.377,1048 12.873,1049 4.46,1050 20.526,1051 9.916,1052 3.432,1053 -0.407,1054 18.427,1055 0.171,1056 11.464,1057 14.291,1058 4.762,1059 22.93,1060 10.931,1061 3.03,1062 12.457,1063 20.316,1064 -0.84,1065 12.687,1066 15.87,1067 5.464,1068 25.452,1069 12.093,1070 2.623,1071 10.643,1072 22.215,1073 4.797,1074 13.844,1075 17.367,1076 5.873,1077 27.916,1078 13.18,1079 2.407,1080 8.473,1081 24.123,1082 3.886,1083 15.054,1084 18.929,1085 6.504,1086 30.426,1087 14.325,1088 2.22,1089 7.557,1090 26.037,1091 3.509,1092 16.244,1093 20.462,1094 6.97,1095 32.916,1096 15.445,1097 1.986,1098 6.717,1099 27.958,1100 3.017,1101 17.454,1102 22.021,1103 7.562,1104 35.424,1105 16.589,1106 1.686,1107 5.993,1108 29.884,1109 2.85,1110 18.66,1111 23.571,1112 8.059,1113 37.927,1114 17.724,1115 7650,1116 12970,1117 19.709,1118 31.483,1119 46.043,1120 48.157,1121 48.754,1122 45.657,1123 45.682,1124 59.613,1125 8.177,1126 139.889,1127 43.471,1128 5.777,1129 5.857,1130 6.994,1131 5.453,1132 5.432,1133 7.797,1134 3.02,1135 20.21,1136 5.212,1137 15.019,1138 1.535,1139 1.605,1140 1.625,1141 1.522,1142 1.523,1143 1.987,1144 0.273,1145 4.663,1146 1.449,1147 4.213,1148 4.265,1149 4.197,1150 4.03,1151 7.447,1152 4.064,1153 3.877,1154 3.902,1155 3.829,1156 3.775,1157 7.411,1158 3.787,1159 3.702,1160 3.76,1161 3.628,1162 3.527,1163 5.052,1164 3.528,1165 3.579,1166 3.645,1167 3.424,1168 3.362,1169 4.841,1170 3.384,1171 3.258,1172 3.32,1173 3.14,1174 3.001,1175 4.401,1176 3.022,1177 3.219,1178 3.292,1179 3.103,1180 2.951,1181 4.208,1182 2.962,1183 3.134,1184 3.223,1185 2.96,1186 2.866,1187 4.104,1188 2.879,1189 2.959,1190 3.017,1191 2.787,1192 2.775,1193 3.847,1194 2.772,1195 0.161,1196 0.129,1197 0.238,1198 0.146,1199 0.114,1200 4.831,1201 0.16,1202 3.857,1203 0.057,1204 7.135,1205 0.415,1206 4.367,1207 0.107,1208 3.432,1209 4.797,1210 1.713,1211 12.457,1212 3.212,1213 1.921,1214 1.898,1215 2.026,1216 2.032,1217 1.287,1218 2.028,1219 1.724,1220 1.679,1221 1.96,1222 1.96,1223 1.109,1224 1.929,1225 1.715,1226 1.657,1227 1.794,1228 1.908,1229 0.9,1230 1.903,1231 1.467,1232 1.394,1233 1.647,1234 1.731,1235 0.825,1236 1.707,1237 1.393,1238 1.339,1239 1.599,1240 1.625,1241 0.679,1242 1.622,1243 1.177,1244 1.096,1245 1.548,1246 1.479,1247 0.576,1248 1.505,1249 1.09,1250 1.008,1251 1.35,1252 1.401,1253 0.442,1254 1.398,1255 0.995,1256 0.905,1257 1.281,1258 1.251,1259 0.353,1260 1.274,1261 4.111,1263 5.468,1264 3.045,1265 7.029,1266 5.533,1267 8.691,1268 7.758,1269 10.412,1271 5.369,1277 2.779,1278 2.352,1279 5.24,1282 1.362,1289 30.466,1290 78.764,1291 183.865,1292 231.814,1293 239.814,1294 239.814,1295 239.814,1296 45.541,1297 7.869,1298 86.32,1299 86.32,1300 22,1301 12.946,1302 4.17,1303 3.392,1304 39.935,1305 92,1306 112,1307 0.221,1308 185.992,1309 315.37,1310 445.581,1311 25110,1313 19.129,1314 0.708,1315 0.575,1316 19.129,1317 15.522,1318 13.045,1319 0.435,1320 0.297,1321 8.718,1322 12.366,1323 8.472,1324 7.085,1325 13.045,1326 8.898,1327 11.749,1328 0.267,1329 0.148,1330 11.749,1331 6.52,1332 10.666,1333 0.167,1334 0.076,1335 10.666,1336 4.837,1337 9.104,1338 0.1,1339 0.037,1340 9.104,1341 3.332,1342 7.568,1343 0.062,1344 0.019,1345 7.568,1346 2.355,1347 0.334,1348 83.055,1349 0.225,1350 25.304,1351 0.647,1352 148,1353 464.12,1354 167.713,1355 439.807,1356 609.42,1357 412,1358 182,1359 463.452,1360 203.632,1361 465.031,1362 693.87,1363 436,1364 5}
{0 CHEMBL566959,1 1.667,2 8.5,3 3.373,4 11.378,5 95.238,6 7.854,7 0.517,8 3.94,9 4.06,10 3.55,11 3.414,12 5.098,13 3.43,14 4.476,15 4.653,16 3.965,17 3.83,18 5.635,19 3.826,20 4.698,21 4.89,22 4.049,23 3.954,24 5.852,25 3.941,26 4.77,27 4.976,28 4.042,29 3.946,30 6.057,31 3.93,32 4.722,33 4.939,34 3.936,35 3.936,36 5.798,37 3.892,38 4.693,39 4.894,40 3.863,41 3.937,42 5.787,43 3.879,44 4.729,45 4.944,46 3.759,47 3.904,48 5.831,49 3.821,50 4.698,51 4.935,52 3.589,53 3.765,54 5.788,55 3.671,56 0.098,57 0.721,58 8.598,59 3.547,60 11.007,61 4.641,62 0.419,63 1.155,64 17.017,65 6.137,66 24.117,67 8.414,68 0.42,69 1.33,70 22.619,71 7.742,72 42.052,73 10.664,74 0.711,75 1.38,76 25.361,77 7.379,78 86.427,79 10.485,80 0.541,81 1.334,82 23.987,83 7.526,84 36.283,85 10.838,86 0.481,87 1.279,88 22.718,89 7.777,90 43.003,91 10.67,92 0.471,93 1.247,94 24.488,95 8.44,96 56.751,97 11.587,98 0.501,99 1.111,100 25.493,101 8.209,102 68.245,103 11.353,104 29,105 43,106 0.285,107 0.679,108 0.835,109 0.881,110 0.881,111 0.881,112 3.306,113 0.88,114 -3.79,115 -3.75,116 -3.57,118 40,119 1,120 2,123 1,124 1,138 4,139 1,140 1,143 1,147 1,148 2,153 1,154 1,157 1,167 6,170 5,171 2,173 3,175 2,178 5,181 2,182 4,184 1,186 2,188 2,191 5,192 7,195 1,197 1,199 1,203 2,204 6,206 2,211 3,214 1,215 7,218 1,220 1,223 4,228 7,231 1,233 4,235 4,240 6,245 3,247 2,252 6,255 2,256 1,257 3,260 1,264 908,265 17.508,266 17.508,267 17.508,268 17.508,269 17.508,270 15.577,271 17.279,272 10.166,273 17.897,274 14.271,275 14.271,276 14.271,277 14.271,278 14.271,279 11.068,280 17.162,281 4.782,282 14.932,283 3.825,284 1.525,285 0.611,286 0.345,287 0.345,288 0.345,289 3.998,292 1,293 1,294 1,295 476,296 2.915,299 83.057,300 128.2,302 68.286,303 82.943,306 111.955,307 1.385,308 31.479,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 57.5,320 221,321 4.832,322 3.857,323 7.136,324 4.367,325 3.432,326 4.798,327 1.713,328 12.459,329 3.213,330 4.339,331 3.432,332 6.656,333 3.991,334 3.034,335 3.898,336 1.001,337 10.656,338 2.908,339 3.993,340 3.256,341 6.07,342 3.579,343 2.621,344 3.501,345 0.514,346 8.516,347 2.496,348 3.695,349 2.834,350 5.773,351 3.335,352 2.372,353 2.97,355 7.598,356 2.275,357 3.505,358 2.617,359 5.211,360 3.103,361 2.139,362 2.795,364 6.229,365 2.047,366 3.267,367 2.211,368 5.091,369 2.892,370 1.931,371 2.47,373 5.729,374 1.845,375 3.06,376 2.036,377 4.914,378 2.651,379 1.685,380 2.219,382 5.089,383 1.62,384 2.799,385 1.491,386 4.399,387 2.348,388 1.389,389 1.921,391 3.883,392 1.325,393 2.613,394 1.425,395 3.837,396 2.299,397 1.326,398 1.648,400 2.879,401 1.285,402 2.468,403 1.186,404 3.471,405 2.067,406 1.088,407 1.457,409 2.491,410 1.063,411 1.972,412 1.084,413 3.381,414 1.601,415 0.644,416 0.799,417 1.614,418 0.613,419 1.884,420 0.857,421 3.345,422 1.489,423 0.496,424 0.634,425 1.189,426 0.486,427 1.277,428 0.71,429 2.839,430 1.06,431 0.092,432 0.106,433 0.172,434 0.088,435 1,436 0.154,437 2.566,438 0.565,439 -0.387,440 -0.486,441 -0.865,442 -0.359,443 0.949,444 -0.057,445 2.411,446 0.525,447 -0.481,448 -0.573,449 -1.184,450 -0.463,451 12,452 0.462,453 0.751,454 0.029,455 34.5,456 1.327,457 16,458 0.615,459 18.5,460 0.712,461 20.908,462 0.804,463 28.2,464 0.627,465 26.821,466 1.032,467 6.656,468 0.256,469 5.851,470 0.225,471 0.167,473 0.433,478 0.826,479 1.595,480 0.735,481 1.154,482 0.646,483 0.957,484 0.53,485 0.951,486 0.69,487 0.874,488 0.466,489 0.819,490 0.881,491 1.217,492 0.79,493 1.031,494 0.865,495 0.916,496 0.961,497 1.02,498 0.95,499 0.901,500 0.851,501 0.904,502 0.808,503 1.018,504 0.963,505 0.957,506 0.658,507 0.97,508 0.943,509 1.044,510 1.107,511 1.081,512 0.864,513 1.111,514 0.984,515 1.067,516 1.151,517 1.187,518 0.932,519 1.2,520 1.151,521 0.994,522 1.128,523 1.111,524 1.227,525 1.12,526 5,527 0.066,528 3.333,529 2.674,530 2.128,531 1.206,532 0.827,533 0.517,534 0.389,535 0.187,536 6906,537 20020,538 2.078,539 42.2,540 5,541 9,542 1,544 2,546 2,549 1.699,550 1.902,551 3.074,552 0.327,553 1,554 1,556 1,558 75,559 1.667,560 3.967,561 4.881,562 5.147,563 5.147,564 5.147,565 2.551,566 4.547,567 4.668,568 3.241,569 1053.19,570 8.137,571 12580.3,573 1,575 1,576 247.133,577 1.513,578 4.611,579 0.172,580 0.009,581 0.078,582 0.058,583 0.048,584 0.03,585 0.022,586 0.016,587 0.015,588 0.01,589 0.459,590 0.33,591 1,592 1.181,593 123.648,594 -0.101,595 -0.366,596 0.046,597 -0.105,598 -0.075,599 -0.02,600 0.242,601 0.214,602 0.18,603 0.11,604 0.109,605 0.118,606 0.01,607 -0.164,608 0.132,609 -0.034,610 -0.021,611 0.051,612 0.064,613 0.043,614 0.011,615 0.029,616 0.123,617 0.016,618 0.016,619 0.043,620 -0.027,621 0.003,622 0.01,623 -0.012,624 -0.09,625 0.008,626 -0.191,627 -0.086,628 -0.08,629 -0.142,630 -0.106,631 -0.084,632 -0.205,633 -0.181,634 -0.059,635 -0.205,636 -0.149,637 -0.098,638 -0.118,639 -0.118,640 -0.136,641 -0.11,642 2.156,643 5.373,644 0.692,645 21.692,646 1.015,647 1.134,648 2.56,649 6.553,650 0.66,651 3.401,652 3.784,653 4.143,654 4.511,655 4.804,656 5.043,657 5.257,658 5.425,659 5.533,660 5.553,661 5.368,662 0.643,663 353.42,664 3.401,665 4.977,666 5.872,667 6.799,668 7.724,669 8.664,670 9.602,671 10.549,672 11.493,673 12.444,674 11.1,681 2,682 2,684 1,689 1,690 5,691 1,695 5,696 1,697 15,713 1,716 45,718 17,719 1,720 29,722 48,723 18,724 11,725 2,726 4,727 1,728 4,729 7,731 1,732 1,738 2,740 13,741 5,744 2,749 2,753 2,756 1,757 1,760 19,761 6,762 2,763 8,766 2,769 5,772 1,775 0.5,776 3,793 2,794 2,796 1,797 1,800 1,819 2,823 2,827 26,832 1,833 3,834 1,838 1,850 6.7,852 1,853 2,858 13.667,859 8.75,860 5.667,861 2.851,863 3.009,864 1.387,865 0.989,866 4.151,867 10.787,868 3.676,869 4.337,870 5.016,871 5.723,872 6.29,873 6.822,874 7.343,875 7.736,876 8.137,877 8.428,878 0.833,879 46,880 9.645,881 4.25,882 7.936,883 18.091,884 15.089,885 2.436,886 63.333,889 1,890 200.109,891 92.643,892 41.106,894 92.973,897 92.643,898 293.082,899 41.106,900 17.222,901 28.31,902 46.952,903 114.463,904 7.658,905 23.888,906 188.338,908 200.109,909 133.749,910 92.973,913 176.567,914 116.515,917 41.607,918 75.356,919 16.786,921 200.109,922 134.079,923 92.643,926 200.109,927 28.469,928 70.484,929 18.011,930 109.759,931 200.109,932 134.079,933 92.643,935 0.589,936 0.355,937 0.204,938 0.121,939 23,940 11,941 0.083,942 4,943 2,944 1.222,945 3.607,946 238.25,947 0.222,948 18,949 122.211,954 16.972,955 6.359,956 2.686,957 0.596,958 130.894,959 8.802,960 4.564,964 2.543,965 2.016,966 60.694,967 426.831,968 38.5,973 24.232,977 -0.956,980 45.676,981 51.026,983 0.303,984 0.722,985 0.889,986 0.937,987 0.937,988 0.937,989 4.947,990 1.389,991 5.894,992 5.089,993 4.466,994 5.024,995 2.123,996 6.804,997 4.372,998 6.19,999 1.326,1000 7.514,1001 3.883,1002 4.205,1003 5.027,1004 1.305,1005 7.874,1006 4.048,1007 7.535,1008 1.088,1009 9.235,1010 2.879,1011 6.146,1012 7.325,1013 2.693,1014 11.06,1015 5.942,1016 8.921,1017 0.644,1018 11.014,1019 2.491,1020 6.711,1021 8.18,1022 2.473,1023 12.974,1024 6.434,1025 10.343,1026 0.496,1027 12.832,1028 1.614,1029 8.159,1030 9.99,1031 3.51,1032 15.696,1033 7.833,1034 11.79,1035 0.092,1036 14.676,1037 1.189,1038 9.09,1039 11.234,1040 3.63,1041 17.957,1042 8.69,1043 13.259,1044 -0.387,1045 16.539,1046 0.172,1047 10.368,1048 12.872,1049 4.453,1050 20.528,1051 9.913,1052 3.432,1053 -0.481,1054 18.418,1055 -0.865,1056 11.459,1057 14.291,1058 4.762,1059 22.932,1060 10.931,1061 3.034,1062 12.459,1063 20.309,1064 -1.184,1065 12.683,1066 15.871,1067 5.462,1068 25.455,1069 12.094,1070 2.621,1071 10.656,1072 22.21,1073 4.798,1074 13.843,1075 17.368,1076 5.873,1077 27.919,1078 13.183,1079 2.372,1080 8.516,1081 24.119,1082 3.898,1083 15.054,1084 18.931,1085 6.504,1086 30.429,1087 14.329,1088 2.139,1089 7.598,1090 26.035,1091 3.501,1092 16.245,1093 20.464,1094 6.97,1095 32.919,1096 15.45,1097 1.931,1098 6.229,1099 27.956,1100 2.97,1101 17.456,1102 22.023,1103 7.562,1104 35.428,1105 16.595,1106 1.685,1107 5.729,1108 29.883,1109 2.795,1110 18.662,1111 23.573,1112 8.059,1113 37.93,1114 17.731,1115 6732,1116 11635,1117 19.016,1118 29.722,1119 44.989,1120 46.764,1121 47.394,1122 44.551,1123 44.498,1124 58.434,1125 6.457,1126 137.012,1127 42.529,1128 5.778,1129 5.857,1130 6.994,1131 5.454,1132 5.432,1133 7.798,1134 3.02,1135 20.214,1136 5.213,1137 14.434,1138 1.551,1139 1.613,1140 1.634,1141 1.536,1142 1.534,1143 2.015,1144 0.223,1145 4.725,1146 1.467,1147 4.213,1148 4.265,1149 4.197,1150 4.029,1151 7.447,1152 4.063,1153 3.871,1154 3.897,1155 3.823,1156 3.771,1157 7.411,1158 3.782,1159 3.699,1160 3.758,1161 3.622,1162 3.527,1163 6.471,1164 3.527,1165 3.576,1166 3.642,1167 3.424,1168 3.359,1169 5.043,1170 3.381,1171 3.229,1172 3.302,1173 3.124,1174 2.981,1175 4.607,1176 2.997,1177 3.143,1178 3.225,1179 3.049,1180 2.868,1181 4.245,1182 2.901,1183 3.019,1184 3.067,1185 2.851,1186 2.854,1187 4.112,1188 2.845,1189 2.924,1190 2.967,1191 2.786,1192 2.746,1193 3.869,1194 2.747,1195 0.167,1196 0.133,1197 0.246,1198 0.151,1199 0.118,1200 4.832,1201 0.165,1202 3.857,1203 0.059,1204 7.136,1205 0.43,1206 4.367,1207 0.111,1208 3.432,1209 4.798,1210 1.713,1211 12.459,1212 3.213,1213 1.919,1214 1.895,1215 2.024,1216 2.029,1217 1.286,1218 2.026,1219 1.724,1220 1.679,1221 1.959,1222 1.96,1223 1.1,1224 1.928,1225 1.714,1226 1.656,1227 1.794,1228 1.903,1229 0.899,1230 1.901,1231 1.467,1232 1.394,1233 1.644,1234 1.731,1235 0.823,1236 1.707,1237 1.384,1238 1.326,1239 1.584,1240 1.602,1241 0.676,1242 1.603,1243 1.101,1244 1.024,1245 1.359,1246 1.407,1247 0.456,1248 1.403,1249 1.007,1250 0.916,1251 1.294,1252 1.258,1253 0.355,1254 1.286,1255 0.883,1256 0.843,1257 1.138,1258 1.149,1259 0.167,1260 1.131,1261 4.078,1263 5.442,1264 3.045,1265 7.006,1266 5.533,1267 8.671,1268 7.758,1269 10.395,1271 3.685,1276 9.825,1277 2.658,1278 2.322,1282 1.335,1289 28.939,1290 75,1291 178.504,1292 219.624,1293 231.624,1294 231.624,1295 231.624,1296 47.3,1297 7.778,1298 97.32,1299 97.32,1300 22,1301 12.934,1302 4.17,1303 3.392,1304 37.684,1305 84,1306 84,1307 0.231,1308 176.4,1309 298.07,1310 422.176,1311 22283,1313 18.422,1314 0.709,1315 0.56,1316 18.422,1317 14.561,1318 12.507,1319 0.431,1320 0.293,1321 8.356,1322 11.914,1323 8.162,1324 6.8,1325 12.507,1326 8.509,1327 11.592,1328 0.27,1329 0.147,1330 11.592,1331 6.342,1332 10.174,1333 0.164,1334 0.074,1335 10.174,1336 4.593,1337 8.949,1338 0.099,1339 0.036,1340 8.949,1341 3.235,1342 7.433,1343 0.061,1344 0.019,1345 7.433,1346 2.288,1347 0.346,1348 79.289,1349 0.229,1350 24.318,1351 0.692,1352 144,1353 448.534,1354 162.938,1355 429.918,1356 592.76,1357 400,1358 177,1359 451.937,1360 197.635,1361 452.804,1362 676.74,1363 426,1364 6.161}
{0 CHEMBL572878,1 1.625,2 12.697,3 4.445,4 19.761,5 134.268,6 7.617,7 0.459,8 4.223,9 4.36,10 3.852,11 3.746,12 5.264,13 3.713,14 4.754,15 4.955,16 4.209,17 4.106,18 5.761,19 4.045,20 4.954,21 5.18,22 4.195,23 4.222,24 5.917,25 4.121,26 5.007,27 5.26,28 4.138,29 4.196,30 5.957,31 4.072,32 4.907,33 5.156,34 4.169,35 4.155,36 5.872,37 4.06,38 4.828,39 5.024,40 4.211,41 4.193,42 5.828,43 4.088,44 4.877,45 5.098,46 4.185,47 4.188,48 5.82,49 4.069,50 4.879,51 5.109,52 4.1,53 4.188,54 5.766,55 4.061,56 0.058,57 1.019,58 13.326,59 5.246,60 8.981,61 7.112,62 0.337,63 1.582,64 26.662,65 8.349,66 28.572,67 11.98,68 0.383,69 1.783,70 34.938,71 10.824,72 36.022,73 14.782,74 0.476,75 1.767,76 39.027,77 11.848,78 54.352,79 16.633,80 0.399,81 1.668,82 35.152,83 10.423,84 44.42,85 14.572,86 0.305,87 1.694,88 33.497,89 10.442,90 33.706,91 13.463,92 0.467,93 1.725,94 36.591,95 10.82,96 34.713,97 14.386,98 0.214,99 1.664,100 32.442,101 11.143,102 27.062,103 15.27,104 10,105 52,106 0.261,107 0.597,108 0.766,109 0.828,110 0.828,111 0.828,112 3.532,113 0.976,114 -5.31,115 -5.2,116 -4.86,118 37.7,119 1,120 2,121 1,123 1,124 4,138 6,140 2,143 3,146 1,148 1,153 1,163 1,167 5,170 2,171 7,173 3,175 7,178 5,181 1,182 3,185 1,186 4,188 4,191 2,192 9,195 2,197 2,199 4,203 1,204 7,206 1,208 2,211 6,214 2,215 6,220 2,223 8,227 1,228 4,231 5,233 3,235 3,240 4,247 5,251 3,252 7,255 1,256 1,257 3,260 2,264 2224,265 22.375,266 22.375,267 22.375,268 22.375,269 22.375,270 20.203,271 36.777,272 13.122,273 23.1,274 18.315,275 18.315,276 18.315,277 18.315,278 18.315,279 14.949,280 58.816,281 6.359,282 19.516,283 4.306,284 2.217,285 1.164,286 0.779,287 0.779,288 0.779,289 4.231,294 1,295 927,296 3.317,297 72.439,299 100.105,300 349.914,307 1.967,308 24.624,311 1,312 0.67,313 1,314 1,315 1,316 1,317 1,318 0.95,319 71,320 419,321 4.296,322 4.555,323 6.219,324 3.918,325 2.984,326 3.915,327 2.95,328 9.411,329 2.913,330 4.12,331 3.735,332 6.118,333 3.897,334 2.914,335 3.699,336 1.907,337 8.907,338 2.739,339 4.076,340 3.235,341 5.696,342 3.665,343 2.721,344 3.637,345 0.8,346 7.983,347 2.57,348 3.943,349 3.028,350 5.581,351 3.594,352 2.66,353 3.172,354 0.8,355 7.678,356 2.505,357 3.693,358 2.884,359 5.379,360 3.413,361 2.481,362 2.896,363 0.4,364 7.062,365 2.291,366 3.5,367 2.628,368 5.177,369 3.162,370 2.251,371 2.761,372 0.149,373 6.512,374 2.027,375 3.32,376 2.511,377 5.019,378 3.097,379 2.176,380 2.502,382 6.016,383 1.996,384 3.23,385 2.424,386 4.854,387 2.839,388 1.918,389 2.339,391 5.566,392 1.749,393 2.999,394 2.266,395 4.523,396 2.585,397 1.643,398 2.164,400 4.641,401 1.544,402 2.827,403 1.902,404 4.241,405 2.497,406 1.485,407 1.806,409 3.873,410 1.478,411 2.525,412 1.496,413 4.212,414 2.22,415 1.296,416 1.529,417 3.71,418 1.194,419 2.5,420 1.146,421 3.414,422 2,423 1,424 1.5,425 2.275,426 1,427 2.207,428 1.035,429 3.414,430 1.967,431 1,432 1.069,433 2.275,434 0.965,435 2,436 1,437 3.274,438 1.713,439 0.73,440 1,441 1.735,442 0.716,443 1.524,444 0.772,445 3.035,446 1.145,447 0.243,448 0.294,449 0.623,450 0.213,451 15.867,452 0.481,453 0.831,454 0.025,455 42.25,456 1.28,457 19.5,458 0.591,459 22.75,460 0.689,461 29.594,462 0.897,463 35.733,464 0.586,465 31.31,466 0.949,467 7.95,468 0.241,469 8.063,470 0.244,471 0.084,473 0.334,478 0.846,479 1.424,480 0.766,481 1.035,482 0.61,483 0.965,484 0.844,485 1.167,486 0.835,487 0.974,488 0.529,489 0.932,490 1.259,491 1.066,492 1.108,493 1.013,494 1.154,495 1.008,496 1.025,497 0.973,498 0.987,499 0.99,500 1.167,501 0.955,502 1.077,503 0.918,504 0.916,505 0.826,506 1.004,507 0.76,508 1.123,509 1.263,510 1.39,511 1.299,512 0.981,513 1.1,514 0.858,515 1.033,516 1.346,517 1.267,518 0.643,519 1.09,520 0.802,521 1.164,522 1.033,523 1.101,524 0.55,525 1.055,526 8,527 0.237,528 2.5,529 2.201,530 1.293,531 1.042,532 0.754,533 0.535,534 0.315,535 0.309,536 17151,537 40945,538 2.15,539 45.9,540 4,541 17,544 3,545 4,549 1.755,550 2.041,551 3.619,552 0.892,558 99.127,559 1.625,560 3.714,561 4.766,562 5.152,563 5.152,564 5.152,565 3.068,566 4.378,567 5.01,568 3.837,569 2025.97,570 8.795,571 31258.6,576 361.775,577 1.301,578 4.989,579 0.216,580 0.007,581 0.051,582 0.047,583 0.03,584 0.022,585 0.016,586 0.012,587 0.007,588 0.008,589 0.417,590 0.17,591 0.75,592 0.467,593 176.508,594 -0.01,595 -0.188,596 0.077,597 -0.02,598 -0.007,599 0.006,600 0.139,601 -0.033,602 0.116,603 0.01,604 0.159,605 0.02,606 -0.162,607 0.003,608 -0.073,609 -0.002,610 -0.114,611 -0.049,612 0.017,613 0.004,614 0.057,615 0.025,616 -0.013,617 0.033,618 -0.045,619 0.101,620 0.152,621 0.198,622 -0.001,623 0.219,624 -0.129,625 -0.104,626 -0.135,627 -0.1,628 -0.103,629 -0.104,630 0.05,631 0.097,632 -0.104,633 -0.1,634 -0.06,635 -0.096,636 -0.062,637 -0.122,638 -0.004,639 -0.032,640 -0.02,641 -0.039,642 1.553,643 4.99,644 0.788,645 40.854,646 1.001,647 1.136,648 4.08,649 16.644,650 0.668,651 3.638,652 3.97,653 4.159,654 4.407,655 4.595,656 4.682,657 4.844,658 5.024,659 5.159,660 5.278,661 7.753,662 0.629,663 464.66,664 3.638,665 5.187,666 6.028,667 6.901,668 7.753,669 8.627,670 9.484,671 10.359,672 11.219,673 12.094,674 13.1,677 1,680 1,681 1,682 2,684 3,690 6,691 3,692 1,695 7,697 17,709 1,711 1,716 61,718 18,719 1,720 37,722 65,723 23,724 13,725 2,726 4,728 5,729 5,732 1,735 2,736 1,738 2,740 14,741 9,742 1,744 1,749 1,753 1,760 28,761 8,762 3,763 10,764 1,769 8,775 1,776 1,785 1,788 1,791 1,793 1,794 3,807 1,816 1,819 5,820 1,821 1,823 2,827 33,833 6,834 2,836 1,837 1,838 2,850 1.6,853 1,858 16.167,859 11.417,860 7.056,861 3.693,863 2.816,864 1.358,865 1.006,866 6.649,867 10.683,868 3.861,869 4.422,870 4.882,871 5.42,872 5.838,873 6.062,874 6.481,875 6.912,876 7.276,877 7.623,878 1,879 47,880 12.207,881 5.202,882 7.591,883 23.779,884 19.859,885 2.091,886 69,890 294.278,891 139.236,892 109.167,894 25.145,896 32.22,897 107.017,898 319.422,899 109.167,900 17.222,901 31.503,902 56.857,903 80.084,904 45.23,905 10.434,906 326.497,908 294.278,909 216.184,910 25.145,911 32.22,913 294.278,914 25.145,917 78.819,918 87.131,919 50.234,920 32.22,921 294.278,922 134.312,923 139.236,926 294.278,927 65.157,928 80.328,929 52.685,930 75.379,931 294.278,932 134.312,933 139.236,935 0.587,936 0.316,937 0.165,938 0.088,939 26,940 11,941 0.108,942 7,944 1,945 4.587,946 303.604,948 26,949 156.465,950 1,954 22.356,955 9.816,956 6.121,958 117.649,959 11.763,960 13.842,961 2.949,964 5.813,966 52.685,967 567.826,968 46.5,973 11.99,977 0.114,980 61.054,981 69.268,983 0.274,984 0.626,985 0.804,986 0.869,987 0.869,988 0.869,989 5.113,990 1.918,991 6.009,992 6.016,993 4.654,994 5.109,995 3.284,996 6.774,997 4.534,998 6.305,999 1.643,1000 7.54,1001 5.566,1002 4.29,1003 4.879,1004 1.738,1005 7.564,1006 4.114,1007 7.596,1008 1.485,1009 9.158,1010 4.641,1011 6.232,1012 7.194,1013 5.14,1014 10.572,1015 5.999,1016 8.911,1017 1.296,1018 10.825,1019 3.873,1020 6.594,1021 7.692,1022 3.061,1023 12.103,1024 6.317,1025 10.251,1026 1,1027 12.521,1028 3.71,1029 8.043,1030 9.528,1031 7.226,1032 14.633,1033 7.715,1034 11.607,1035 1,1036 14.238,1037 2.275,1038 8.746,1039 10.383,1040 4.414,1041 16.504,1042 8.384,1043 12.976,1044 0.73,1045 15.97,1046 2.275,1047 9.981,1048 11.996,1049 9.364,1050 18.844,1051 9.574,1052 2.984,1053 0.243,1054 17.714,1055 1.735,1056 10.859,1057 13.049,1058 5.75,1059 20.885,1060 10.421,1061 2.914,1062 9.411,1063 19.467,1064 0.623,1065 11.997,1066 14.545,1067 11.518,1068 23.146,1069 11.519,1070 2.721,1071 8.907,1072 21.228,1073 3.915,1074 12.964,1075 15.712,1076 7.068,1077 25.272,1078 12.457,1079 2.66,1080 7.983,1081 22.996,1082 3.699,1083 14.058,1084 17.142,1085 13.678,1086 27.502,1087 13.516,1088 2.481,1089 7.678,1090 24.77,1091 3.637,1092 15.073,1093 18.377,1094 8.374,1095 29.673,1096 14.502,1097 2.251,1098 7.062,1099 26.549,1100 3.172,1101 16.149,1102 19.77,1103 15.84,1104 31.892,1105 15.546,1106 2.176,1107 6.512,1108 28.332,1109 2.896,1110 17.189,1111 21.046,1112 9.674,1113 34.087,1114 16.558,1115 15830,1116 24682,1117 25.255,1118 40.762,1119 55.819,1120 58.537,1121 56.152,1122 55.046,1123 55.005,1124 68.565,1125 14.012,1126 156.537,1127 51.804,1128 5.296,1129 6.555,1130 5.633,1131 5.07,1132 4.984,1133 6.915,1134 5.9,1135 15.729,1136 4.913,1137 13.885,1138 1.509,1139 1.582,1140 1.518,1141 1.488,1142 1.487,1143 1.853,1144 0.379,1145 4.231,1146 1.4,1147 4.008,1148 4.06,1149 4.088,1150 3.907,1151 7.428,1152 3.894,1153 3.935,1154 3.984,1155 3.883,1156 3.782,1157 5.054,1158 3.793,1159 3.868,1160 3.934,1161 3.827,1162 3.755,1163 4.914,1164 3.752,1165 3.83,1166 3.87,1167 3.761,1168 3.666,1169 4.72,1170 3.686,1171 3.682,1172 3.748,1173 3.619,1174 3.503,1175 4.373,1176 3.511,1177 3.208,1178 3.302,1179 3.346,1180 3.073,1181 4.212,1182 3.029,1183 3.189,1184 3.249,1185 3.037,1186 2.941,1187 4.07,1188 2.936,1189 3.111,1190 3.206,1191 3.006,1192 2.93,1193 3.92,1194 2.91,1195 0.116,1196 0.123,1197 0.168,1198 0.106,1199 0.081,1200 4.296,1201 0.106,1202 4.555,1203 0.08,1204 6.219,1205 0.254,1206 3.918,1207 0.079,1208 2.984,1209 3.915,1210 2.95,1211 9.411,1212 2.913,1213 1.896,1214 1.872,1215 1.997,1216 2.049,1217 1.29,1218 2.039,1219 1.824,1220 1.766,1221 1.971,1222 1.972,1223 1.089,1224 1.981,1225 1.662,1226 1.601,1227 1.81,1228 1.869,1229 0.897,1230 1.851,1231 1.573,1232 1.516,1233 1.744,1234 1.786,1235 0.846,1236 1.783,1237 1.392,1238 1.362,1239 1.548,1240 1.611,1241 0.825,1242 1.589,1243 1.286,1244 1.204,1245 1.533,1246 1.579,1247 0.825,1248 1.55,1249 1.153,1250 1.064,1251 1.513,1252 1.427,1253 0.803,1254 1.448,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.623,1260 1.429,1261 4.317,1262 1.946,1263 5.645,1264 3.932,1265 7.146,1266 5.82,1267 8.721,1268 7.63,1269 10.336,1271 4.105,1277 5.843,1278 6.274,1280 1.502,1281 0.189,1282 4.617,1289 38.341,1290 99.127,1291 226.535,1292 290.755,1293 314.265,1294 314.265,1295 314.265,1296 48.478,1297 7.867,1298 102.07,1299 127.37,1300 26,1301 12.637,1302 4.248,1303 3.392,1304 47.709,1305 148,1306 162,1307 0.149,1308 237.562,1309 403.5,1310 571.412,1311 28604,1313 22.786,1314 0.69,1315 0.596,1316 23.139,1317 19.653,1318 16.013,1319 0.433,1320 0.325,1321 11.12,1322 14.889,1323 10.765,1324 8.913,1325 16.421,1326 12.037,1327 14.912,1328 0.287,1329 0.186,1330 15.607,1331 9.676,1332 11.612,1333 0.184,1334 0.101,1335 12.316,1336 6.345,1337 9.615,1338 0.119,1339 0.053,1340 10.408,1341 4.318,1342 7.449,1343 0.076,1344 0.031,1345 8.286,1346 2.992,1347 0.236,1348 104.552,1349 0.199,1350 31.013,1351 0.402,1352 178,1353 481.82,1354 222.991,1355 491.773,1356 682.75,1357 462,1358 207,1359 501.549,1360 245.856,1361 522.965,1362 762.14,1363 491,1364 5.77}
{0 CHEMBL572881,1 1.481,2 11.607,3 2.721,4 7.405,5 112.492,6 7.324,7 0.581,8 4.026,9 4.158,10 3.583,11 3.584,12 5.127,13 3.56,14 4.543,15 4.722,16 3.947,17 3.989,18 5.597,19 3.943,20 4.804,21 5.002,22 3.986,23 4.133,24 5.824,25 4.048,26 4.944,27 5.207,28 3.872,29 4.072,30 5.953,31 3.953,32 4.791,33 5.051,34 3.727,35 3.926,36 5.79,37 3.819,38 4.617,39 4.86,40 3.735,41 3.836,42 5.672,43 3.762,44 4.517,45 4.719,46 3.767,47 3.836,48 5.639,49 3.782,50 4.591,51 4.81,52 3.688,53 3.821,54 5.705,55 3.736,56 0.04,57 0.782,58 10.48,59 4.319,60 8.837,61 5.92,62 0.184,63 1.248,64 19.045,65 7.308,66 22.805,67 10.274,68 0.136,69 1.538,70 25.469,71 9.702,72 26.884,73 13.703,74 0.465,75 1.622,76 32.551,77 10.79,78 57.557,79 15.809,80 0.314,81 1.36,82 28.07,83 9.36,84 48.465,85 13.434,86 0.287,87 1.179,88 23.119,89 7.743,90 40.926,91 11.076,92 0.197,93 1.146,94 19.533,95 6.735,96 31.198,97 9.43,98 0.234,99 1.158,100 21.817,101 7.857,102 41.779,103 10.85,104 10,105 44,106 0.247,107 0.6,108 0.767,109 0.84,110 0.849,111 0.849,112 3.374,113 0.9,114 -4.02,115 -3.97,116 -3.76,118 43.1,119 2,122 1,124 2,138 7,139 3,140 2,141 3,143 1,153 1,167 9,171 5,173 2,175 8,178 9,182 3,186 8,188 5,191 1,192 4,195 2,196 2,197 4,199 7,204 3,206 1,208 1,211 6,215 4,218 1,220 6,223 7,227 1,228 5,233 4,235 5,240 4,243 1,244 1,245 2,247 6,251 1,252 2,255 1,257 1,260 8,264 1276,265 18.886,266 18.886,267 18.886,268 18.886,269 18.886,270 16.606,271 27.538,272 11.14,273 19.161,274 15.315,275 15.315,276 15.315,277 15.315,278 15.315,279 11.861,280 44.521,281 5.303,282 15.732,283 4.191,284 2.071,285 1.072,286 0.633,287 0.579,288 0.579,289 4.071,293 1,294 1,295 711,296 3.464,299 67.027,300 258.362,303 115.361,307 1.893,308 21.663,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 59.5,320 325,321 4.62,322 3.691,323 7.414,324 4.461,325 3.468,326 4.097,327 1.058,328 12.923,329 3.444,330 4.343,331 3.599,332 6.456,333 3.983,334 3,335 3.938,336 0.657,337 9.967,338 2.948,339 3.903,340 2.84,341 5.753,342 3.555,343 2.581,344 3.442,345 0.4,346 7.943,347 2.516,348 3.866,349 2.65,350 5.364,351 3.49,352 2.501,353 3.207,355 6.992,356 2.472,357 3.436,358 2.551,359 5.273,360 3.086,361 2.119,362 2.651,364 6.511,365 2.039,366 3.176,367 2.121,368 4.891,369 2.802,370 1.829,371 2.356,373 5.299,374 1.772,375 2.975,376 1.707,377 4.478,378 2.52,379 1.563,380 2.157,382 3.961,383 1.495,384 2.861,385 1.594,386 3.899,387 2.418,388 1.441,389 2.017,391 3.345,392 1.405,393 2.796,394 1.483,395 3.625,396 2.367,397 1.414,398 1.899,400 3.056,401 1.343,402 2.538,403 1.312,404 3.572,405 2.003,406 1.021,407 1.5,409 2.548,410 0.995,411 2.5,412 1,413 3.417,414 1.984,415 1,416 1.492,417 2.136,418 0.983,419 1.885,420 0.886,421 3.247,422 1.658,423 0.703,424 0.809,425 1.687,426 0.67,427 1.849,428 0.805,429 3.076,430 1.554,431 0.618,432 0.736,433 1.424,434 0.577,435 1.242,436 0.515,437 2.836,438 0.914,439 -0.066,440 -0.081,441 -0.176,442 -0.064,443 1.019,444 -0.033,445 2.601,446 0.638,447 -0.337,448 -0.424,449 -0.809,450 -0.327,451 13.333,452 0.476,453 0.731,454 0.026,455 39.25,456 1.402,457 21,458 0.75,459 18.25,460 0.652,461 21.429,462 0.765,463 29.267,464 0.574,465 28.421,466 1.015,467 7.608,468 0.272,469 5.919,470 0.211,471 0.1,472 0.038,473 0.263,478 0.851,479 1.272,480 0.813,481 1.011,482 0.646,483 0.917,484 0.772,485 1.068,486 0.839,487 0.937,488 0.592,489 0.896,490 0.956,491 1.36,492 1.083,493 1.279,494 0.876,495 1.21,496 0.96,497 0.914,498 1.017,499 0.985,500 0.922,501 1.001,502 1.313,503 0.914,504 0.994,505 0.919,506 1.495,507 0.922,508 1.279,509 0.903,510 0.859,511 0.788,512 1.47,513 0.78,514 1.338,515 1.044,516 1.029,517 0.992,518 1.323,519 0.969,520 1.328,521 1.077,522 1.05,523 1.104,524 1.683,525 1.067,526 6,527 0.119,528 3.556,529 2.264,530 1.062,531 0.934,532 0.409,533 0.395,534 0.302,535 0.217,536 10560,537 24984,538 2.106,539 45.1,540 6,541 11,543 3,544 3,549 1.709,550 1.988,551 3.504,552 0.882,553 1,554 1,558 75.535,559 1.481,560 3.602,561 4.6,562 5.04,563 5.094,564 5.094,565 2.968,566 4.45,567 4.779,568 3.68,569 1391.12,570 8.303,571 18665.1,573 1,575 1,576 289.294,577 1.454,578 4.74,579 0.194,580 0.006,581 0.081,582 0.053,583 0.029,584 0.029,585 0.012,586 0.011,587 0.01,588 0.009,589 0.433,590 0.33,591 1,592 0.517,593 141.664,594 -0.068,595 -0.095,596 0.042,597 0.008,598 -0.06,599 0.035,600 0.08,601 0.044,602 0.066,603 0.06,604 0.081,605 0.062,606 -0.069,607 -0.317,608 -0.158,609 -0.282,610 -0.038,611 -0.24,612 0.141,613 0.055,614 -0.004,615 -0.034,616 0.123,617 -0.035,618 -0.083,619 0.026,620 0.028,621 0.046,622 -0.089,623 0.051,624 -0.018,625 0.067,626 0.152,627 0.182,628 -0.012,629 0.187,630 -0.122,631 0.028,632 -0.067,633 -0.031,634 -0.076,635 -0.035,636 -0.028,637 -0.099,638 -0.062,639 -0.12,640 -0.054,641 -0.103,642 1.859,643 5.852,644 0.75,645 26.827,646 0.996,647 1.126,648 2.789,649 7.781,650 0.673,651 3.466,652 3.807,653 4.06,654 4.304,655 4.466,656 4.477,657 4.605,658 4.71,659 4.754,660 4.787,661 6.9,662 0.638,663 373.5,664 3.466,665 5.017,666 5.866,667 6.751,668 7.615,669 8.505,670 9.376,671 10.268,672 11.143,673 12.038,674 9.8,679 2,681 1,684 2,690 10,691 2,695 6,697 18,704 1,709 2,716 51,718 19,719 1,720 31,722 54,723 22,724 16,725 3,726 3,727 1,728 4,729 5,732 2,733 1,734 1,740 17,741 5,744 1,749 1,753 1,757 1,760 23,761 6,762 3,763 6,769 5,775 0.75,776 1,787 2,793 1,794 3,797 1,819 3,823 2,827 28,833 2,834 3,839 1,850 2,853 1,858 14.083,859 9.65,860 6.042,861 2.931,863 3.416,864 1.45,865 0.993,866 5.014,867 11.011,868 3.738,869 4.324,870 4.866,871 5.389,872 5.86,873 5.928,874 6.235,875 6.524,876 6.781,877 7.063,878 0.875,879 43,880 10.338,881 4.394,882 7.658,883 19.865,884 16.412,885 2.158,886 60.417,889 1,890 235.422,891 137.441,892 87.603,894 25.145,897 137.441,898 260.567,899 87.603,900 17.65,901 22.222,902 66.334,903 134.755,904 42.212,905 2.328,906 200.109,908 235.422,909 225.044,910 25.145,913 235.422,914 25.145,917 67.015,918 88.437,919 69.593,921 235.422,922 112.748,923 137.441,926 235.422,927 26.314,928 111.126,929 54.032,930 58.716,931 235.422,932 112.748,933 137.441,935 0.587,936 0.339,937 0.18,938 0.092,939 22,940 9,941 0.093,942 5,943 1,944 1.095,945 4.038,946 241.147,947 0.095,948 21,949 128.606,954 18.454,955 7.608,956 4.026,958 112.748,959 18.561,960 8.347,964 5.233,966 54.032,967 485.611,968 41,973 12.852,977 -0.192,980 50.789,981 57.438,983 0.261,984 0.635,985 0.811,986 0.888,987 0.898,988 0.898,989 4.98,990 1.441,991 5.878,992 3.961,993 4.489,994 5.011,995 1.487,996 6.725,997 4.441,998 6.194,999 1.414,1000 7.465,1001 3.345,1002 4.205,1003 4.771,1005 7.921,1006 4.177,1007 7.51,1008 1.021,1009 9.169,1010 3.056,1011 6.159,1012 7.165,1013 1.369,1014 10.969,1015 6.084,1016 8.864,1017 1,1018 10.948,1019 2.548,1020 6.723,1021 7.711,1023 13.033,1024 6.67,1025 10.251,1026 0.703,1027 12.779,1028 2.136,1029 8.182,1030 9.599,1031 1.381,1032 15.695,1033 8.095,1034 11.662,1035 0.618,1036 14.647,1037 1.687,1038 9.119,1039 10.524,1041 18.071,1042 9.047,1043 13.093,1044 -0.066,1045 16.542,1046 1.424,1047 10.406,1048 12.18,1049 1.439,1050 20.641,1051 10.313,1052 3.468,1053 -0.337,1054 18.458,1055 -0.176,1056 11.507,1057 13.308,1059 23.128,1060 11.419,1061 3,1062 12.923,1063 20.39,1064 -0.809,1065 12.74,1066 14.843,1067 1.516,1068 25.679,1069 12.641,1070 2.581,1071 9.967,1072 22.335,1073 4.097,1074 13.911,1075 16.084,1077 28.207,1078 13.812,1079 2.501,1080 7.943,1081 24.291,1082 3.938,1083 15.133,1084 17.554,1085 1.602,1086 30.757,1087 15.025,1088 2.119,1089 6.992,1090 26.255,1091 3.442,1092 16.336,1093 18.86,1095 33.302,1096 16.225,1097 1.829,1098 6.511,1099 28.226,1100 3.207,1101 17.558,1102 20.295,1103 1.691,1104 35.854,1105 17.442,1106 1.563,1107 5.299,1108 30.202,1109 2.651,1110 18.777,1111 21.638,1113 38.406,1114 18.656,1115 9927,1116 15428,1117 20.86,1118 34.336,1119 47.109,1120 47.944,1121 47.121,1122 46.435,1123 46.516,1124 60.603,1125 4.231,1126 135.583,1127 45.316,1128 5.501,1129 5.691,1130 7.216,1131 5.503,1132 5.468,1133 7.097,1134 2.117,1135 20.548,1136 5.444,1137 11.85,1138 1.52,1139 1.547,1140 1.52,1141 1.498,1142 1.501,1143 1.955,1144 0.136,1145 4.374,1146 1.462,1147 4.048,1148 4.084,1149 3.994,1150 3.963,1151 7.429,1152 3.966,1153 3.93,1154 3.972,1155 3.877,1156 3.818,1157 4.925,1158 3.827,1159 3.836,1160 3.875,1161 3.779,1162 3.734,1163 4.853,1164 3.74,1165 3.571,1166 3.63,1167 3.466,1168 3.445,1169 4.784,1170 3.439,1171 3.25,1172 3.342,1173 3.165,1174 3.043,1175 4.258,1176 3.061,1177 3.243,1178 3.289,1179 3.116,1180 2.986,1181 4.12,1182 3.015,1183 3.091,1184 3.186,1185 2.917,1186 2.868,1187 3.894,1188 2.868,1189 2.874,1190 3.009,1191 2.687,1192 2.735,1193 3.826,1194 2.715,1195 0.149,1196 0.119,1197 0.239,1198 0.144,1199 0.112,1200 4.62,1201 0.132,1202 3.691,1203 0.034,1204 7.414,1205 0.417,1206 4.461,1207 0.111,1208 3.468,1209 4.097,1210 1.058,1211 12.923,1212 3.444,1213 1.925,1214 1.899,1215 2.028,1216 2.044,1217 1.272,1218 2.036,1219 1.876,1220 1.84,1221 1.993,1222 1.989,1223 1.107,1224 1.995,1225 1.804,1226 1.771,1227 1.914,1228 1.925,1229 1.022,1230 1.925,1231 1.641,1232 1.581,1233 1.851,1234 1.82,1235 0.948,1236 1.837,1237 1.208,1238 1.146,1239 1.463,1240 1.483,1241 0.548,1242 1.476,1243 1.177,1244 1.104,1245 1.417,1246 1.464,1247 0.537,1248 1.446,1249 1.049,1250 0.969,1251 1.415,1252 1.316,1253 0.469,1254 1.325,1255 0.934,1256 0.821,1257 1.282,1258 1.239,1259 0.286,1260 1.308,1261 4.143,1263 5.476,1264 2.398,1265 7.004,1266 4.844,1267 8.616,1268 7.018,1269 10.272,1271 4.418,1277 1.461,1278 9.634,1283 0.102,1289 32.563,1290 75.535,1291 183.694,1292 234.623,1293 257.029,1294 259.784,1295 259.784,1296 43.47,1297 7.595,1298 78.94,1299 78.94,1300 23,1301 12.568,1302 4.322,1303 3.459,1304 42.516,1305 115,1306 114,1307 0.176,1308 200.922,1309 344.41,1310 482.01,1311 22969,1313 19.562,1314 0.699,1315 0.571,1316 19.562,1317 15.99,1318 13.527,1319 0.436,1320 0.3,1321 9.2,1322 13.12,1323 8.896,1324 7.437,1325 13.527,1326 9.304,1327 12.576,1328 0.286,1329 0.172,1330 12.576,1331 7.561,1332 10.329,1333 0.181,1334 0.088,1335 10.329,1336 4.989,1337 8.636,1338 0.118,1339 0.046,1340 8.636,1341 3.384,1342 6.678,1343 0.078,1344 0.025,1345 6.678,1346 2.174,1347 0.28,1348 84.009,1349 0.219,1350 26.964,1351 0.475,1352 150,1353 388.024,1354 160.874,1355 385.928,1356 535.3,1357 362,1358 176,1359 399.848,1360 187.319,1361 411.351,1362 596.84,1363 386,1364 5}
{0 CHEMBL573339,1 1.643,2 8.038,3 2.634,4 6.936,5 93.122,6 8.295,7 0.7,8 3.901,9 3.993,10 3.57,11 3.427,12 5.053,13 3.451,14 4.429,15 4.567,16 3.953,17 3.814,18 5.57,19 3.831,20 4.632,21 4.81,22 4.004,23 3.906,24 5.74,25 3.897,26 4.601,27 4.8,28 3.93,29 3.856,30 5.661,31 3.843,32 4.552,33 4.727,34 3.948,35 3.85,36 5.691,37 3.845,38 4.563,39 4.716,40 3.948,41 3.915,42 5.647,43 3.901,44 4.608,45 4.774,46 3.86,47 3.933,48 5.677,49 3.88,50 4.659,51 4.872,52 3.658,53 3.843,54 5.7,55 3.738,56 0.093,57 0.64,58 7.051,59 3.599,60 8.919,61 4.003,62 0.347,63 1.055,64 14.419,65 5.833,66 21.708,67 6.641,68 0.537,69 1.241,70 20.054,71 7.233,72 35.14,73 8.985,74 0.401,75 1.234,76 19.844,77 6.951,78 33.285,79 8.821,80 0.525,81 1.162,82 18.373,83 6.593,84 41.881,85 7.998,86 0.434,87 1.193,88 16.823,89 6.549,90 25.389,91 7.574,92 0.383,93 1.212,94 17.722,95 7.482,96 25.34,97 8.996,98 0.443,99 1.167,100 21.923,101 8.885,102 39.839,103 11.593,104 2,105 43,106 0.282,107 0.649,108 0.781,109 0.845,110 0.845,111 0.845,112 3.306,113 0.847,114 -3.61,115 -3.59,116 -3.42,118 45.2,124 4,138 6,139 2,140 1,141 1,142 1,143 1,145 1,148 1,156 1,167 6,170 3,171 6,175 2,178 5,181 4,182 7,186 2,188 2,191 2,192 7,197 1,199 1,203 3,204 7,206 2,211 3,214 1,215 6,223 4,227 1,228 6,231 1,233 1,235 4,239 1,240 5,243 1,245 1,247 2,252 3,255 1,257 1,260 1,264 888,265 18.154,266 18.154,267 18.154,268 18.154,269 18.154,270 15.811,271 12.611,272 10.787,273 18.623,274 14.885,275 14.885,276 14.885,277 14.885,278 14.885,279 11.295,280 16.024,281 5.188,282 15.653,283 3.749,284 1.617,285 0.845,286 0.476,287 0.476,288 0.476,289 4.024,292 1,293 1,294 1,295 471,296 2.121,299 37.097,300 226.299,303 148.493,307 1.047,308 26.381,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 57,320 209,321 4.779,322 3.38,323 6.937,324 4.289,325 3.319,326 4.866,327 0.86,328 11.762,329 3.224,330 4.245,331 2.973,332 6.306,333 3.825,334 2.855,335 3.917,336 0.8,337 9.524,338 2.772,339 4.042,340 2.874,341 6.123,342 3.688,343 2.742,344 3.615,346 8.995,347 2.588,348 3.625,349 2.476,350 5.454,351 3.215,352 2.274,353 3.018,355 6.72,356 2.133,357 3.454,358 2.321,359 5.054,360 3.044,361 2.088,362 2.819,364 6.043,365 1.989,366 3.187,367 2.042,368 4.929,369 2.762,370 1.82,371 2.402,373 5.376,374 1.716,375 2.947,376 1.735,377 4.335,378 2.505,379 1.552,380 2.101,382 4.001,383 1.474,384 2.842,385 1.504,386 4.161,387 2.343,388 1.387,389 1.998,391 3.558,392 1.325,393 2.648,394 1.389,395 3.613,396 2.246,397 1.31,398 1.697,400 2.914,401 1.214,402 2.588,403 1.256,404 3.559,405 2.081,406 1.098,407 1.631,409 2.567,410 1.077,411 2.28,412 1.114,413 3.475,414 1.952,415 1,416 1.243,417 2.531,418 0.946,419 2,420 1.083,421 3.267,422 1.91,423 1,424 1,425 2.136,426 0.905,427 1.891,428 0.508,429 3.247,430 1.417,431 0.463,432 0.653,433 1.239,434 0.441,435 1.063,436 -0.057,437 2.736,438 0.606,439 -0.341,440 -0.451,441 -0.846,442 -0.32,443 0.928,444 -0.263,445 2.639,446 0.516,447 -0.41,448 -0.511,449 -1.005,450 -0.375,451 12.1,452 0.465,453 0.551,454 0.021,455 37.5,456 1.442,457 19,458 0.731,459 18.5,460 0.712,461 18.299,462 0.704,463 26.9,464 0.64,465 26.764,466 1.029,467 7.429,468 0.286,469 5.364,470 0.206,471 0.028,473 0.364,478 0.922,479 1.35,480 0.676,481 1.072,482 0.905,483 0.87,484 1.093,485 1.048,486 0.844,487 0.911,488 0.749,489 0.837,490 0.976,491 1.101,492 0.887,493 0.911,494 0.902,495 0.887,496 0.969,497 1.061,498 0.88,499 0.907,500 0.895,501 0.865,502 1.024,503 0.911,504 0.9,505 0.803,506 0.84,507 0.818,508 1.093,509 1.093,510 1.101,511 1.006,512 0.857,513 1.026,514 0.915,515 1.086,516 1.219,517 1.237,518 0.897,519 1.274,520 0.695,521 1.052,522 1.128,523 1.309,524 0.846,525 1.315,526 4,527 0.025,528 2.667,529 1.701,530 1.275,531 1.146,532 0.554,533 0.259,534 0.228,535 0.089,536 7600,537 20994,538 2.241,539 38.1,541 14,543 1,544 1,549 1.7,550 2.167,551 3.032,552 -0.294,553 1,554 1,556 1,558 69.012,559 1.643,560 3.775,561 4.547,562 4.916,563 4.916,564 4.916,565 2.286,566 4.393,567 4.672,568 3.169,569 1029.87,570 8.147,571 12408.6,572 1,573 1,575 1,576 226.477,577 1.142,578 4.66,579 0.133,580 0.006,581 0.062,582 0.039,583 0.031,584 0.027,585 0.013,586 0.007,587 0.008,588 0.006,589 0.333,590 0.5,591 0.88,592 0.362,593 123.326,594 -0.092,595 -0.256,596 0.06,597 -0.095,598 -0.107,599 -0.008,600 -0.074,601 0.035,602 0.009,603 0.029,604 0.006,605 0.033,606 0.036,607 -0.071,608 0.055,609 0.036,610 0.017,611 0.04,612 -0.081,613 -0.012,614 0.072,615 0.029,616 -0.044,617 0.077,618 0.008,619 0.144,620 0.031,621 0.134,622 0.059,623 0.091,624 -0.143,625 -0.013,626 -0.239,627 -0.069,628 -0.128,629 -0.143,630 -0.079,631 -0.052,632 -0.349,633 -0.269,634 -0.127,635 -0.342,636 0.116,637 -0.146,638 -0.138,639 -0.288,640 0.081,641 -0.268,642 1.488,643 3.826,644 0.962,645 19.935,646 1.016,647 1.122,648 2.385,649 5.688,650 0.689,651 3.434,652 3.784,653 4.127,654 4.477,655 4.796,656 4.956,657 5.215,658 5.425,659 5.525,660 5.624,661 5.249,662 0.676,663 348.39,664 3.434,665 4.99,666 5.872,667 6.777,668 7.681,669 8.597,670 9.513,671 10.436,672 11.359,673 12.285,674 9.5,680 1,684 3,689 4,690 7,691 3,693 1,695 4,697 21,711 1,713 1,716 42,718 21,719 1,720 30,722 46,723 19,724 15,725 2,726 4,728 5,729 8,740 15,741 4,756 1,757 1,759 1,760 16,761 7,762 1,763 7,769 4,775 0.6,776 3,787 1,788 1,793 1,794 4,797 2,818 1,819 3,827 26,832 1,833 4,835 1,838 1,850 7.1,852 1,854 1,855 1,858 12,859 7.667,860 5.583,861 2.54,863 4.165,864 1.525,865 1.024,866 3.731,867 12.103,868 3.726,869 4.404,870 5.11,871 5.829,872 6.501,873 6.989,874 7.581,875 8.135,876 8.52,877 8.952,878 0.667,879 44,880 9.597,881 4.213,882 7.705,883 18.329,884 15.436,885 2.205,886 57.333,889 1,890 176.567,891 101.103,892 53.481,894 63.191,897 101.103,898 239.757,899 53.481,901 13.396,902 56.857,903 120.218,904 31.91,905 7.164,906 164.795,908 176.567,909 154.584,910 63.191,913 178.894,914 52.191,915 11,917 28.995,918 72.904,919 50.357,921 176.567,922 116.671,923 101.103,926 176.567,927 35.198,928 69.029,930 113.547,931 176.567,932 116.671,933 101.103,935 0.582,936 0.345,937 0.202,938 0.119,939 24,940 9,941 0.043,942 2,943 2,944 1.16,945 3.774,946 242.994,947 0.16,948 25,949 118.211,954 15.558,955 6.236,956 2.713,957 2.743,958 116.671,959 12.445,960 13.778,962 5.983,964 2.202,966 42.683,967 394.341,968 40.5,980 42.691,981 47.113,983 0.305,984 0.7,985 0.843,986 0.912,987 0.912,988 0.912,989 4.965,990 1.387,991 5.855,992 4.001,993 4.466,994 5.091,995 1.235,996 6.708,997 4.375,998 6.186,999 1.31,1000 7.428,1001 3.558,1002 4.007,1003 4.956,1004 0.325,1005 7.662,1006 3.886,1007 7.511,1008 1.098,1009 9.106,1010 2.914,1011 6.084,1012 7.419,1013 0.938,1014 10.832,1015 5.921,1016 8.878,1017 1,1018 10.848,1019 2.567,1020 6.494,1021 8.187,1022 0.268,1023 12.661,1024 6.309,1025 10.283,1026 1,1027 12.631,1028 2.531,1029 8.017,1030 10.102,1031 0.732,1032 15.339,1033 7.795,1034 11.716,1035 0.463,1036 14.444,1037 2.136,1038 8.838,1039 11.302,1040 0.188,1041 17.525,1042 8.596,1043 13.171,1044 -0.341,1045 16.277,1046 1.239,1047 10.137,1048 12.998,1049 0.57,1050 20.041,1051 9.862,1052 3.319,1053 -0.41,1054 18.127,1055 -0.846,1056 11.151,1057 14.404,1058 0.125,1059 22.378,1060 10.856,1061 2.855,1062 11.762,1063 19.988,1064 -1.005,1065 12.365,1066 16.016,1067 0.438,1068 24.844,1069 12.04,1070 2.742,1071 9.524,1072 21.86,1073 4.866,1074 13.469,1075 17.517,1076 0.082,1077 27.245,1078 13.12,1079 2.274,1080 8.995,1081 23.74,1082 3.917,1083 14.654,1084 19.101,1085 0.334,1086 29.699,1087 14.278,1088 2.088,1089 6.72,1090 25.627,1091 3.615,1092 15.8,1093 20.643,1094 0.054,1095 32.13,1096 15.399,1097 1.82,1098 6.043,1099 27.519,1100 3.018,1101 16.98,1102 22.22,1103 0.252,1104 34.584,1105 16.552,1106 1.552,1107 5.376,1108 29.416,1109 2.819,1110 18.146,1111 23.782,1112 0.035,1113 37.03,1114 17.693,1115 6991,1116 11755,1117 20.978,1118 28.955,1119 45.956,1120 46.037,1121 46.388,1122 45.857,1123 45.817,1124 61.92,1125 3.32,1126 134.731,1127 43.605,1128 5.779,1129 5.38,1130 6.739,1131 5.393,1132 5.319,1133 7.866,1134 1.72,1135 19.31,1136 5.224,1137 6.541,1138 1.532,1139 1.535,1140 1.546,1141 1.529,1142 1.527,1143 2.064,1144 0.111,1145 4.491,1146 1.454,1147 4.183,1148 4.2,1149 4.171,1150 4.047,1151 6.471,1152 4.074,1153 3.894,1154 3.916,1155 3.843,1156 3.821,1157 5.281,1158 3.823,1159 3.768,1160 3.822,1161 3.671,1162 3.567,1163 4.814,1164 3.585,1165 3.535,1166 3.58,1167 3.462,1168 3.369,1169 4.617,1170 3.385,1171 3.114,1172 3.206,1173 3.063,1174 2.946,1175 4.538,1176 2.966,1177 3.111,1178 3.135,1179 2.866,1180 2.941,1181 4.324,1182 2.91,1183 2.94,1184 2.992,1185 2.863,1186 2.746,1187 4.032,1188 2.75,1189 2.922,1190 2.967,1191 2.804,1192 2.714,1193 3.806,1194 2.735,1195 0.159,1196 0.113,1197 0.231,1198 0.143,1199 0.111,1200 4.779,1201 0.162,1202 3.38,1203 0.029,1204 6.937,1205 0.392,1206 4.289,1207 0.107,1208 3.319,1209 4.866,1210 0.86,1211 11.762,1212 3.224,1213 1.956,1214 1.93,1215 2.025,1216 2.081,1217 1.218,1218 2.062,1219 1.848,1220 1.824,1221 1.942,1222 1.975,1223 1.097,1224 1.957,1225 1.749,1226 1.71,1227 1.917,1228 1.942,1229 1.026,1230 1.943,1231 1.545,1232 1.509,1233 1.646,1234 1.771,1235 0.825,1236 1.738,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.698,1242 1.429,1243 0.998,1244 0.981,1245 1.154,1246 1.235,1247 0.259,1248 1.195,1249 0.942,1250 0.906,1251 1.125,1252 1.14,1253 0.237,1254 1.131,1255 0.883,1256 0.838,1257 1.103,1258 1.114,1259 0.139,1260 1.101,1261 4.111,1263 5.451,1264 2.398,1265 7.002,1266 4.844,1267 8.648,1268 7.066,1269 10.344,1276 9.826,1277 2.753,1279 5.462,1282 2.141,1289 28.391,1290 69.012,1291 158.561,1292 190.968,1293 206.477,1294 206.477,1295 206.477,1296 32.97,1297 7.938,1298 84.51,1299 84.51,1300 29,1301 12.791,1302 4.459,1303 3.524,1304 33.517,1305 83,1306 75,1307 0.205,1308 168.877,1309 278.47,1310 403.821,1311 28842,1313 17.51,1314 0.673,1315 0.535,1316 17.51,1317 13.922,1318 12.793,1319 0.426,1320 0.282,1321 8.311,1322 12.185,1323 8.209,1324 6.7,1325 12.793,1326 8.468,1327 11.597,1328 0.27,1329 0.143,1330 11.597,1331 6.156,1332 10.241,1333 0.168,1334 0.074,1335 10.241,1336 4.488,1337 9.145,1338 0.105,1339 0.037,1340 9.145,1341 3.228,1342 7.995,1343 0.067,1344 0.019,1345 7.995,1346 2.254,1347 0.306,1348 80.996,1349 0.218,1350 24.334,1351 0.613,1352 146,1353 450.201,1354 163.654,1355 427.285,1356 598.74,1357 404,1358 177,1359 455.855,1360 196.404,1361 455.624,1362 681.09,1363 431,1364 5}
{0 CHEMBL574236,1 1.631,2 8.533,3 4.358,4 18.995,5 110.953,6 8.193,7 0.618,8 4.033,9 4.142,10 3.692,11 3.556,12 5.211,13 3.574,14 4.551,15 4.708,16 4.107,17 3.962,18 5.721,19 3.97,20 4.72,21 4.865,22 4.233,23 4.11,24 5.916,25 4.114,26 4.86,27 5.025,28 4.267,29 4.158,30 6.163,31 4.153,32 4.911,33 5.108,34 4.236,35 4.202,36 6.009,37 4.174,38 4.913,39 5.108,40 4.185,41 4.227,42 5.992,43 4.183,44 4.891,45 5.074,46 4.15,47 4.208,48 6.013,49 4.159,50 4.918,51 5.102,52 4.053,53 4.123,54 6.12,55 4.059,56 0.075,57 0.769,58 8.256,59 3.946,60 6.664,61 4.695,62 0.462,63 1.248,64 17.033,65 6.65,66 25.241,67 8.239,68 0.373,69 1.447,70 19.358,71 8.013,72 27.416,73 9.752,74 0.652,75 1.62,76 24.001,77 8.69,78 77.943,79 10.655,80 0.614,81 1.701,82 26.737,83 9.388,84 35.209,85 12.243,86 0.482,87 1.66,88 26.892,89 10.204,90 41.754,91 13.044,92 0.419,93 1.605,94 25.291,95 10.205,96 36.529,97 12.793,98 0.558,99 1.539,100 27.318,101 10.904,102 53.389,103 13.47,104 27,105 51,106 0.27,107 0.643,108 0.774,109 0.855,110 0.882,111 0.882,112 3.442,113 0.832,114 -4.47,115 -4.4,116 -4.14,118 44.9,119 1,123 2,138 8,139 2,140 2,143 1,147 1,148 2,153 1,154 1,157 1,167 10,170 5,171 3,173 3,178 10,181 3,182 7,184 1,188 6,191 5,192 10,195 1,199 2,203 4,204 11,206 1,211 4,214 1,215 11,220 1,223 8,227 1,228 11,233 3,235 9,239 1,240 12,243 1,245 5,247 5,251 1,252 7,257 2,260 1,264 1424,265 20.422,266 20.422,267 20.422,268 20.422,269 20.422,270 17.775,271 21.673,272 11.647,273 20.933,274 16.694,275 16.694,276 16.694,277 16.694,278 16.694,279 12.457,280 23.125,281 5.406,282 17.453,283 3.983,284 1.736,285 0.944,286 0.454,287 0.291,288 0.291,289 4.147,293 1,294 1,295 561,296 2.739,299 92.348,300 215.85,302 75.785,303 94.175,306 125.498,307 1.262,308 29.178,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 65.5,320 256,321 4.87,322 3.859,323 7.221,324 4.408,325 3.473,326 4.837,327 1.713,328 12.804,329 3.252,330 4.443,331 3.479,332 6.843,333 4.092,334 3.134,335 4.047,336 1.001,337 11.322,338 3.008,339 4.19,340 3.357,341 6.315,342 3.796,343 2.818,344 3.812,345 0.86,346 9.441,347 2.747,348 3.97,349 2.987,350 6.126,351 3.567,352 2.623,353 3.42,354 0.514,355 8.688,356 2.467,357 3.637,358 2.908,359 5.765,360 3.266,361 2.293,362 2.908,364 7.461,365 2.22,366 3.435,367 2.538,368 5.261,369 3.024,370 2.058,371 2.703,373 6.185,374 1.977,375 3.101,376 2.095,377 5.106,378 2.679,379 1.711,380 2.298,382 5.365,383 1.651,384 3.067,385 1.871,386 4.86,387 2.585,388 1.639,389 2.255,391 4.978,392 1.54,393 2.917,394 1.645,395 4.354,396 2.458,397 1.487,398 2.085,400 3.69,401 1.436,402 2.86,403 1.493,404 3.971,405 2.414,406 1.414,407 2.014,409 3.142,410 1.414,411 2.721,412 1.368,413 3.671,414 2.202,415 1.249,416 1.804,417 2.995,418 1.185,419 2.513,420 1.22,421 3.586,422 1.998,423 1.013,424 1.512,425 2.652,426 0.996,427 1.914,428 0.963,429 3.523,430 1.497,431 0.559,432 0.694,433 1.385,434 0.513,435 1.872,436 0.937,437 3.346,438 1.456,439 0.5,440 0.63,441 1.129,442 0.473,443 1.601,444 0.829,445 2.889,446 1.226,447 0.309,448 0.401,449 0.609,450 0.283,451 14,452 0.467,453 0.837,454 0.028,455 43.25,456 1.442,457 22,458 0.733,459 21.25,460 0.708,461 23.383,462 0.779,463 31,464 0.633,465 36.023,466 1.201,467 8.808,468 0.294,469 5.699,470 0.19,471 0.155,473 0.443,478 0.781,479 1.474,480 0.675,481 1.097,482 0.562,483 0.9,484 0.734,485 0.842,486 0.671,487 0.725,488 0.552,489 0.694,490 0.889,491 1.239,492 0.801,493 1.048,494 0.907,495 0.935,496 1.02,497 1.145,498 0.975,499 1.002,500 0.915,501 0.977,502 0.848,503 0.97,504 0.934,505 0.885,506 0.631,507 0.902,508 0.925,509 0.969,510 0.968,511 0.942,512 0.745,513 0.95,514 0.927,515 1.033,516 1.053,517 1.117,518 0.772,519 1.103,520 1.084,521 1.202,522 1.174,523 1.326,524 0.988,525 1.291,526 5,527 0.049,528 4,529 3.076,530 2.47,531 1.658,532 1.033,533 0.815,534 0.504,535 0.254,536 9967,537 28286,538 2.124,539 38.8,540 3,541 14,542 1,544 1,549 1.74,550 1.957,551 3.042,552 -0.316,554 1,558 79.938,559 1.631,560 3.879,561 4.671,562 5.16,563 5.324,564 5.324,565 2.465,566 4.748,567 4.878,568 3.212,569 1397.21,570 8.578,571 18331.9,573 1,575 1,576 275.121,577 1.482,578 4.825,579 0.147,580 0.007,581 0.078,582 0.054,583 0.043,584 0.03,585 0.019,586 0.016,587 0.012,588 0.011,589 0.417,590 0.33,591 0.88,592 0.758,593 148.165,594 -0.06,595 -0.332,596 0.067,597 -0.135,598 -0.067,599 -0.033,600 0.192,601 0.274,602 0.193,603 0.214,604 0.064,605 0.193,606 0.038,607 -0.157,608 0.049,609 -0.091,610 -0.035,611 -0.04,612 0.056,613 -0.066,614 -0.065,615 -0.074,616 0.132,617 -0.093,618 0.03,619 0.098,620 -0.002,621 0.054,622 0.012,623 0.031,624 -0.093,625 0.047,626 -0.041,627 0.038,628 -0.034,629 0.022,630 -0.083,631 -0.024,632 -0.144,633 -0.128,634 -0.038,635 -0.136,636 -0.014,637 -0.27,638 -0.204,639 -0.321,640 0.024,641 -0.307,642 2.17,643 5.647,644 0.8,645 24.4,646 1.014,647 1.123,648 3.239,649 10.494,650 0.688,651 3.555,652 3.951,653 4.344,654 4.718,655 5.03,656 5.278,657 5.541,658 5.759,659 5.922,660 5.999,661 5.472,662 0.672,663 401.46,664 3.555,665 5.142,666 6.052,667 6.986,668 7.92,669 8.867,670 9.813,671 10.766,672 11.719,673 12.677,674 10.2,681 2,682 2,684 1,689 1,690 9,691 1,695 7,696 1,697 21,714 1,716 49,718 23,719 2,720 34,722 53,723 22,724 17,725 4,726 8,727 1,728 5,729 8,731 1,732 1,740 19,741 3,744 2,749 2,753 2,757 1,760 19,761 6,762 1,763 8,766 2,769 5,772 1,775 0.6,776 3,793 2,794 3,796 1,797 1,800 1,819 3,823 3,827 30,834 1,835 1,838 1,850 6.1,853 2,855 1,858 15.333,859 10.05,860 6.5,861 2.779,863 3.841,864 1.463,865 1.036,866 4.327,867 12.138,868 3.861,869 4.543,870 5.247,871 5.962,872 6.569,873 7.11,874 7.696,875 8.181,876 8.653,877 9.013,878 0.833,879 57,880 11.089,881 4.878,882 7.822,883 20.853,884 17.372,885 2.322,886 69.667,888 1,889 1,890 211.88,891 145.442,892 41.106,894 61.29,897 145.442,898 273.17,899 41.106,900 28.105,901 21.135,902 84.857,903 71.78,904 29.843,905 23.888,906 200.109,908 211.88,909 186.548,910 61.29,913 211.88,914 61.29,917 34.432,918 135.33,919 16.786,921 211.88,922 102.396,923 145.442,926 211.88,927 32.48,928 119.272,929 18.011,930 78.075,931 211.88,932 102.396,933 145.442,935 0.593,936 0.373,937 0.215,938 0.122,939 28,940 13,941 0.057,942 3,943 2,944 1.167,945 3.858,946 305.756,947 0.167,948 24,949 143.207,954 18.761,955 6.92,956 2.75,957 0.513,958 99.21,959 17.509,960 4.677,964 5.026,965 1.949,966 18.011,967 459.717,968 46.5,973 24.719,977 -0.981,980 49.676,981 55.026,983 0.291,984 0.691,985 0.832,986 0.919,987 0.948,988 0.948,989 5.131,990 1.639,991 6.075,992 5.365,993 4.635,994 5.231,995 2.286,996 7.002,997 4.546,998 6.382,999 1.487,1000 7.706,1001 4.978,1002 4.369,1003 5.19,1004 1.305,1005 8.113,1006 4.229,1007 7.73,1008 1.414,1009 9.439,1010 3.69,1011 6.333,1012 7.542,1013 2.764,1014 11.308,1015 6.144,1016 9.12,1017 1.249,1018 11.231,1019 3.142,1020 6.909,1021 8.361,1022 2.473,1023 13.257,1024 6.655,1025 10.545,1026 1.013,1027 13.061,1028 2.995,1029 8.366,1030 10.2,1031 3.533,1032 15.989,1033 8.065,1034 11.996,1035 0.559,1036 14.916,1037 2.652,1038 9.306,1039 11.417,1040 3.63,1041 18.274,1042 8.936,1043 13.468,1044 0.5,1045 16.791,1046 1.385,1047 10.589,1048 13.067,1049 4.46,1050 20.859,1051 10.168,1052 3.473,1053 0.309,1054 18.68,1055 1.129,1056 11.686,1057 14.469,1058 4.762,1059 23.284,1060 11.195,1061 3.134,1062 12.804,1063 20.581,1064 0.609,1065 12.914,1066 16.052,1067 5.464,1068 25.824,1069 12.365,1070 2.818,1071 11.322,1072 22.49,1073 4.837,1074 14.079,1075 17.54,1076 5.873,1077 28.309,1078 13.46,1079 2.623,1080 9.441,1081 24.408,1082 4.047,1083 15.293,1084 19.103,1085 6.504,1086 30.838,1087 14.613,1088 2.293,1089 8.688,1090 26.332,1091 3.812,1092 16.489,1093 20.631,1094 6.97,1095 33.349,1096 15.739,1097 2.058,1098 7.461,1099 28.261,1100 3.42,1101 17.705,1102 22.191,1103 7.562,1104 35.879,1105 16.889,1106 1.711,1107 6.185,1108 30.196,1109 2.908,1110 18.916,1111 23.74,1112 8.059,1113 38.403,1114 18.031,1115 9463,1116 16127,1117 22.6,1118 33.722,1119 53.192,1120 55.061,1121 55.9,1122 52.487,1123 52.558,1124 70.843,1125 8.177,1126 163.691,1127 50.324,1128 5.816,1129 5.859,1130 6.913,1131 5.495,1132 5.473,1133 7.837,1134 3.02,1135 20.609,1136 5.252,1137 15.608,1138 1.564,1139 1.619,1140 1.644,1141 1.544,1142 1.546,1143 2.084,1144 0.24,1145 4.814,1146 1.48,1147 4.226,1148 4.274,1149 4.213,1150 4.058,1151 7.447,1152 4.088,1153 3.89,1154 3.923,1155 3.843,1156 3.813,1157 7.411,1158 3.812,1159 3.863,1160 3.888,1161 3.803,1162 3.759,1163 5.075,1164 3.773,1165 3.611,1166 3.662,1167 3.561,1168 3.37,1169 4.816,1170 3.411,1171 3.249,1172 3.315,1173 3.12,1174 3.026,1175 4.716,1176 3.005,1177 3.217,1178 3.286,1179 3.063,1180 2.972,1181 4.387,1182 2.984,1183 3.17,1184 3.257,1185 3.031,1186 2.954,1187 4.214,1188 2.969,1189 3.069,1190 3.111,1191 2.957,1192 2.848,1193 3.903,1194 2.886,1195 0.143,1196 0.113,1197 0.212,1198 0.13,1199 0.102,1200 4.87,1201 0.142,1202 3.859,1203 0.05,1204 7.221,1205 0.377,1206 4.408,1207 0.096,1208 3.473,1209 4.837,1210 1.713,1211 12.804,1212 3.252,1213 1.964,1214 1.938,1215 2.061,1216 2.062,1217 1.196,1218 2.059,1219 1.874,1220 1.848,1221 1.984,1222 1.984,1223 1.077,1224 1.979,1225 1.718,1226 1.68,1227 1.796,1228 1.946,1229 0.902,1230 1.908,1231 1.455,1232 1.389,1233 1.59,1234 1.727,1235 0.683,1236 1.682,1237 1.35,1238 1.302,1239 1.573,1240 1.544,1241 0.613,1242 1.539,1243 1.207,1244 1.127,1245 1.552,1246 1.508,1247 0.582,1248 1.52,1249 1.197,1250 1.123,1251 1.449,1252 1.418,1253 0.573,1254 1.469,1255 1.098,1256 1.017,1257 1.356,1258 1.406,1259 0.361,1260 1.403,1261 4.234,1263 5.609,1264 3.045,1265 7.192,1266 5.533,1267 8.874,1268 7.766,1269 10.611,1271 5.235,1278 2.359,1279 5.599,1282 1.337,1289 32.939,1290 79.938,1291 190.062,1292 228.856,1293 252.856,1294 260.856,1295 260.856,1296 47.707,1297 8.297,1298 86.32,1299 86.32,1300 28,1301 13.162,1302 4.585,1303 3.755,1304 41.025,1305 95,1306 97,1307 0.211,1308 198.594,1309 336.09,1310 476.329,1311 42290,1313 20.991,1314 0.7,1315 0.557,1316 20.991,1317 16.71,1318 14.507,1319 0.427,1320 0.277,1321 9.255,1322 13.839,1323 8.975,1324 7.473,1325 14.507,1326 9.432,1327 13.373,1328 0.262,1329 0.139,1330 13.373,1331 7.109,1332 12.304,1333 0.162,1334 0.071,1335 12.304,1336 5.371,1337 10.928,1338 0.098,1339 0.035,1340 10.928,1341 3.861,1342 9.166,1343 0.06,1344 0.018,1345 9.166,1346 2.677,1347 0.313,1348 91.789,1349 0.21,1350 27.119,1351 0.646,1352 170,1353 520.12,1354 190.046,1355 499.014,1356 698.02,1357 468,1358 212,1359 536.156,1360 234.519,1361 541.232,1362 809.04,1363 508,1364 6.745}
{0 CHEMBL574461,1 1.667,2 8.462,3 3.373,4 11.378,5 95.238,6 7.854,7 0.517,8 3.94,9 4.06,10 3.55,11 3.414,12 5.099,13 3.43,14 4.476,15 4.653,16 3.965,17 3.83,18 5.628,19 3.826,20 4.699,21 4.89,22 4.069,23 3.955,24 5.862,25 3.947,26 4.777,27 4.974,28 4.071,29 3.952,30 6.096,31 3.942,32 4.746,33 4.961,34 3.964,35 3.945,36 5.838,37 3.909,38 4.713,39 4.913,40 3.867,41 3.948,42 5.825,43 3.889,44 4.736,45 4.954,46 3.755,47 3.907,48 5.809,49 3.825,50 4.702,51 4.932,52 3.645,53 3.768,54 5.916,55 3.675,56 0.098,57 0.721,58 8.598,59 3.547,60 11.007,61 4.641,62 0.419,63 1.155,64 17.017,65 6.137,66 24.097,67 8.414,68 0.406,69 1.33,70 22.595,71 7.737,72 39.835,73 10.671,74 0.758,75 1.385,76 25.351,77 7.372,78 89.237,79 10.324,80 0.578,81 1.351,82 24.703,83 7.568,84 40.953,85 10.799,86 0.505,87 1.294,88 23.302,89 7.93,90 50.078,91 10.833,92 0.445,93 1.252,94 24.794,95 8.496,96 54.862,97 11.656,98 0.628,99 1.109,100 25.508,101 8.324,102 85.901,103 11.572,104 29,105 43,106 0.285,107 0.679,108 0.827,109 0.873,110 0.881,111 0.881,112 3.306,113 0.881,114 -3.79,115 -3.75,116 -3.57,118 40,119 1,120 2,123 1,124 1,138 4,139 1,140 1,143 1,147 1,148 2,153 1,154 1,157 1,167 6,170 5,171 2,173 3,175 2,178 5,181 2,182 3,184 1,186 2,188 2,191 5,192 7,195 2,197 1,199 1,203 2,204 6,206 2,211 2,214 1,215 8,218 1,220 2,223 4,228 5,233 3,235 4,240 8,243 2,244 1,245 4,247 3,252 5,257 2,260 1,264 896,265 17.56,266 17.56,267 17.56,268 17.56,269 17.56,270 15.601,271 17.279,272 10.203,273 17.942,274 14.254,275 14.254,276 14.254,277 14.254,278 14.254,279 11.046,280 17.162,281 4.773,282 14.907,283 3.825,284 1.525,285 0.656,286 0.389,287 0.345,288 0.345,289 3.998,292 1,293 1,294 1,295 474,296 2.915,299 82.087,300 127.618,302 67.478,303 82.115,306 110.745,307 1.349,308 32.305,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 57.5,320 220,321 4.836,322 3.857,323 7.143,324 4.373,325 3.437,326 4.801,327 1.713,328 12.486,329 3.219,330 4.385,331 3.436,332 6.721,333 4.034,334 3.072,335 3.977,336 1.001,337 10.874,338 2.955,339 4.044,340 3.282,341 6.2,342 3.638,343 2.69,344 3.527,345 0.514,346 8.953,347 2.536,348 3.682,349 2.929,350 5.888,351 3.33,352 2.366,353 2.941,355 7.813,356 2.271,357 3.444,358 2.61,359 5.273,360 3.043,361 2.078,362 2.704,364 6.225,365 1.989,366 3.101,367 2.084,368 5.107,369 2.703,370 1.735,371 2.296,373 5.372,374 1.677,375 3.06,376 1.858,377 4.833,378 2.637,379 1.674,380 2.218,382 4.945,383 1.601,384 2.86,385 1.512,386 4.137,387 2.392,388 1.414,389 2.014,391 3.345,392 1.376,393 2.632,394 1.491,395 3.77,396 2.346,397 1.383,398 1.669,400 3.002,401 1.324,402 2.468,403 1.22,404 3.578,405 2.074,406 1.102,407 1.458,409 2.605,410 1.068,411 1.976,412 1.088,413 3.381,414 1.615,415 0.66,416 0.814,417 1.622,418 0.627,419 1.889,420 0.86,421 3.344,422 1.492,423 0.497,424 0.635,425 1.19,426 0.487,427 1.298,428 0.725,429 2.842,430 1.061,431 0.094,432 0.11,433 0.181,434 0.091,435 1.09,436 0.176,437 2.569,438 0.761,439 -0.178,440 -0.215,441 -0.388,442 -0.165,443 1,444 0.08,445 2.411,446 0.529,447 -0.513,448 -0.642,449 -1.236,450 -0.511,451 12,452 0.462,453 0.734,454 0.028,455 34.5,456 1.327,457 16,458 0.615,459 18.5,460 0.712,461 21.008,462 0.808,463 28.2,464 0.627,465 26.971,466 1.037,467 6.672,468 0.257,469 5.853,470 0.225,471 0.167,473 0.433,478 0.826,479 1.595,480 0.735,481 1.154,482 0.645,483 0.957,484 0.53,485 0.951,486 0.69,487 0.874,488 0.478,489 0.819,490 0.862,491 1.217,492 0.747,493 1.026,494 0.839,495 0.889,496 1.013,497 1.035,498 0.973,499 0.92,500 0.935,501 0.924,502 0.912,503 1.002,504 0.982,505 0.938,506 0.761,507 0.952,508 0.987,509 1.04,510 1.131,511 1.083,512 0.881,513 1.121,514 1.024,515 1.058,516 1.149,517 1.173,518 0.972,519 1.181,520 0.971,521 1.007,522 1.077,523 1.135,524 1.083,525 1.142,526 4.5,527 0.037,528 3.556,529 2.799,530 2.128,531 1.341,532 0.751,533 0.592,534 0.331,535 0.193,536 6818,537 19588,538 2.078,539 42.2,540 5,541 9,542 1,544 2,546 2,549 1.7,550 1.902,551 3.053,552 0.327,553 1,554 1,556 1,558 75,559 1.667,560 3.967,561 4.836,562 5.103,563 5.147,564 5.147,565 2.507,566 4.393,567 4.669,568 3.211,569 1043.7,570 8.141,571 12431.7,573 1,575 1,576 247.133,577 1.513,578 4.611,579 0.155,580 0.006,581 0.083,582 0.06,583 0.047,584 0.033,585 0.02,586 0.019,587 0.012,588 0.011,589 0.446,590 0.33,591 1,592 1.181,593 123.34,594 -0.101,595 -0.366,596 0.046,597 -0.105,598 -0.073,599 -0.02,600 0.242,601 0.214,602 0.18,603 0.11,604 0.097,605 0.118,606 0.029,607 -0.164,608 0.176,609 -0.029,610 0.006,611 0.079,612 0.083,613 0.032,614 -0.011,615 0.007,616 0.114,617 -0.016,618 -0.016,619 0.054,620 -0.035,621 0.013,622 -0.024,623 -0.005,624 -0.107,625 0.005,626 -0.21,627 -0.088,628 -0.066,629 -0.153,630 -0.15,631 -0.08,632 -0.198,633 -0.168,634 -0.101,635 -0.183,636 0.065,637 -0.113,638 -0.066,639 -0.138,640 0.048,641 -0.133,642 2.163,643 5.377,644 0.692,645 21.231,646 1.015,647 1.134,648 2.56,649 6.553,650 0.66,651 3.401,652 3.784,653 4.159,654 4.522,655 4.812,656 5.05,657 5.268,658 5.434,659 5.541,660 5.549,661 5.29,662 0.643,663 353.42,664 3.401,665 4.977,666 5.878,667 6.806,668 7.735,669 8.677,670 9.618,671 10.567,672 11.514,673 12.466,674 11.1,681 2,682 2,684 1,689 1,690 5,691 1,695 5,696 1,697 15,713 1,716 45,718 17,719 1,720 29,722 48,723 18,724 11,725 2,726 4,727 1,728 4,729 7,731 1,732 1,738 2,740 13,741 5,744 2,749 2,753 2,756 1,757 1,760 19,761 6,762 2,763 8,766 2,769 5,772 1,775 0.5,776 3,793 2,794 2,796 1,797 1,800 1,819 2,823 2,827 26,832 1,833 3,834 1,838 1,850 6.7,852 1,853 2,858 13.667,859 8.75,860 5.694,861 2.858,863 3.04,864 1.391,865 0.989,866 4.151,867 10.818,868 3.676,869 4.337,870 5.026,871 5.731,872 6.294,873 6.826,874 7.35,875 7.739,876 8.137,877 8.407,878 0.833,879 47,880 9.655,881 4.265,882 7.936,883 18.091,884 15.094,885 2.436,886 63.333,889 1,890 200.109,891 92.643,892 41.106,894 92.973,897 92.643,898 293.082,899 41.106,900 17.222,901 28.31,902 46.952,903 114.463,904 7.658,905 23.888,906 188.338,908 200.109,909 133.749,910 92.973,913 176.567,914 116.515,917 41.607,918 75.356,919 16.786,921 200.109,922 134.079,923 92.643,926 200.109,927 28.469,928 70.484,929 18.011,930 109.759,931 200.109,932 134.079,933 92.643,935 0.588,936 0.362,937 0.207,938 0.121,939 23,940 11,941 0.083,942 4,943 2,944 1.222,945 3.589,946 239.55,947 0.222,948 18,949 122.211,954 16.972,955 6.359,956 2.598,957 0.568,958 130.894,959 8.858,960 4.552,964 2.256,965 1.975,966 60.694,967 426.831,968 38.5,973 24.237,977 -0.976,980 45.676,981 51.026,983 0.303,984 0.722,985 0.881,986 0.929,987 0.937,988 0.937,989 4.947,990 1.414,991 5.9,992 4.945,993 4.466,994 5.024,995 2.123,996 6.819,997 4.372,998 6.19,999 1.383,1000 7.527,1001 3.345,1002 4.205,1003 5.027,1004 1.305,1005 7.915,1006 4.048,1007 7.537,1008 1.102,1009 9.257,1010 3.002,1011 6.155,1012 7.331,1013 2.693,1014 11.106,1015 5.951,1016 8.927,1017 0.66,1018 11.046,1019 2.605,1020 6.735,1021 8.199,1022 2.473,1023 13.036,1024 6.459,1025 10.353,1026 0.497,1027 12.873,1028 1.622,1029 8.185,1030 10.008,1031 3.51,1032 15.759,1033 7.861,1034 11.806,1035 0.094,1036 14.725,1037 1.19,1038 9.128,1039 11.261,1040 3.63,1041 18.024,1042 8.733,1043 13.281,1044 -0.178,1045 16.596,1046 0.181,1047 10.408,1048 12.898,1049 4.453,1050 20.596,1051 9.959,1052 3.437,1053 -0.513,1054 18.48,1055 -0.388,1056 11.506,1057 14.322,1058 4.762,1059 22.999,1060 10.987,1061 3.072,1062 12.486,1063 20.375,1064 -1.236,1065 12.73,1066 15.9,1067 5.462,1068 25.522,1069 12.153,1070 2.69,1071 10.874,1072 22.28,1073 4.801,1074 13.894,1075 17.398,1076 5.873,1077 27.985,1078 13.248,1079 2.366,1080 8.953,1081 24.191,1082 3.977,1083 15.105,1084 18.959,1085 6.504,1086 30.494,1087 14.397,1088 2.078,1089 7.813,1090 26.109,1091 3.527,1092 16.297,1093 20.492,1094 6.97,1095 32.983,1096 15.522,1097 1.735,1098 6.225,1099 28.032,1100 2.941,1101 17.508,1102 22.05,1103 7.562,1104 35.491,1105 16.668,1106 1.674,1107 5.372,1108 29.959,1109 2.704,1110 18.714,1111 23.598,1112 8.059,1113 37.993,1114 17.806,1115 6651,1116 11450,1117 19.016,1118 29.722,1119 44.892,1120 46.677,1121 47.578,1122 44.458,1123 44.404,1124 58.332,1125 6.457,1126 137.223,1127 42.445,1128 5.782,1129 5.857,1130 7.001,1131 5.459,1132 5.437,1133 7.801,1134 3.02,1135 20.272,1136 5.219,1137 14.317,1138 1.548,1139 1.61,1140 1.641,1141 1.533,1142 1.531,1143 2.011,1144 0.223,1145 4.732,1146 1.464,1147 4.213,1148 4.265,1149 4.198,1150 4.029,1151 7.447,1152 4.063,1153 3.871,1154 3.897,1155 3.824,1156 3.772,1157 7.411,1158 3.782,1159 3.698,1160 3.758,1161 3.619,1162 3.527,1163 6.469,1164 3.526,1165 3.575,1166 3.642,1167 3.423,1168 3.359,1169 5.039,1170 3.38,1171 3.229,1172 3.302,1173 3.123,1174 2.981,1175 4.619,1176 2.996,1177 3.142,1178 3.225,1179 3.041,1180 2.867,1181 4.258,1182 2.899,1183 3.01,1184 3.063,1185 2.844,1186 2.854,1187 4.114,1188 2.843,1189 2.934,1190 2.971,1191 2.803,1192 2.746,1193 3.874,1194 2.749,1195 0.167,1196 0.133,1197 0.246,1198 0.151,1199 0.119,1200 4.836,1201 0.166,1202 3.857,1203 0.059,1204 7.143,1205 0.431,1206 4.373,1207 0.111,1208 3.437,1209 4.801,1210 1.713,1211 12.486,1212 3.219,1213 1.918,1214 1.894,1215 2.023,1216 2.029,1217 1.286,1218 2.025,1219 1.724,1220 1.679,1221 1.96,1222 1.96,1223 1.098,1224 1.928,1225 1.715,1226 1.656,1227 1.795,1228 1.903,1229 0.9,1230 1.902,1231 1.467,1232 1.394,1233 1.645,1234 1.731,1235 0.824,1236 1.707,1237 1.386,1238 1.326,1239 1.587,1240 1.6,1241 0.678,1242 1.604,1243 1.102,1244 1.024,1245 1.361,1246 1.406,1247 0.463,1248 1.403,1249 1.007,1250 0.916,1251 1.295,1252 1.257,1253 0.356,1254 1.286,1255 0.883,1256 0.843,1257 1.143,1258 1.152,1259 0.175,1260 1.132,1261 4.078,1263 5.442,1264 3.045,1265 7.011,1266 5.533,1267 8.683,1268 7.758,1269 10.414,1271 3.671,1276 10.268,1277 2.596,1278 2.315,1282 1.327,1289 28.939,1290 75,1291 178.504,1292 217.624,1293 229.624,1294 231.624,1295 231.624,1296 48.735,1297 7.778,1298 97.32,1299 97.32,1300 22,1301 12.955,1302 4.17,1303 3.392,1304 37.658,1305 83,1306 84,1307 0.235,1308 176.4,1309 298.07,1310 422.176,1311 22283,1313 18.422,1314 0.709,1315 0.56,1316 18.422,1317 14.561,1318 12.524,1319 0.432,1320 0.294,1321 8.362,1322 11.934,1323 8.171,1324 6.807,1325 12.524,1326 8.515,1327 11.485,1328 0.267,1329 0.147,1330 11.485,1331 6.309,1332 10.32,1333 0.164,1334 0.074,1335 10.32,1336 4.631,1337 9.011,1338 0.099,1339 0.036,1340 9.011,1341 3.245,1342 7.47,1343 0.061,1344 0.019,1345 7.47,1346 2.293,1347 0.35,1348 79.39,1349 0.229,1350 24.252,1351 0.706,1352 144,1353 448.534,1354 162.938,1355 429.699,1356 593.32,1357 400,1358 178,1359 452.937,1360 198.967,1361 453.465,1362 679.64,1363 427,1364 5.796}
{0 CHEMBL574738,1 1.737,2 17.421,3 4.513,4 20.37,5 141.564,6 7.789,7 0.439,8 4.326,9 4.457,10 3.911,11 3.768,12 5.463,13 3.782,14 4.887,15 5.079,16 4.318,17 4.137,18 6.358,19 4.135,20 5.094,21 5.307,22 4.297,23 4.305,24 6.174,25 4.264,26 5.208,27 5.442,28 4.301,29 4.321,30 6.33,31 4.256,32 5.246,33 5.511,34 4.289,35 4.258,36 6.458,37 4.203,38 5.069,39 5.294,40 4.205,41 4.184,42 6.242,43 4.15,44 5.071,45 5.299,46 4.255,47 4.121,48 6.562,49 4.093,50 4.978,51 5.224,52 4.019,53 4.011,54 6.218,55 3.971,56 0.176,57 1.234,58 13.199,59 5.62,60 23.129,61 7.372,62 1.167,63 2.182,64 28.269,65 9.026,66 151.997,67 12.315,68 0.725,69 2.117,70 35.087,71 11.784,72 62.487,73 16.266,74 0.866,75 2.327,76 41.627,77 14.262,78 92.131,79 19.458,80 1.48,81 2.318,82 47.733,83 13.322,84 145.555,85 18.829,86 0.918,87 2.16,88 36.82,89 11.876,90 115.325,91 15.218,92 1.561,93 2.233,94 38.593,95 11.753,96 231.729,97 14.917,98 1.258,99 1.928,100 36.067,101 10.065,102 132.792,103 12.838,104 46,105 57,106 0.274,107 0.592,108 0.742,109 0.819,110 0.848,111 0.853,112 3.667,113 0.895,114 -4.94,115 -4.85,116 -4.54,118 38.2,119 1,123 1,124 6,130 1,138 8,139 2,140 3,143 2,144 1,154 1,167 6,170 2,171 7,173 3,174 1,175 5,178 6,181 1,182 4,186 4,188 4,191 1,192 8,195 2,197 5,199 2,204 8,206 1,208 4,211 2,215 5,218 1,220 3,223 4,227 1,228 4,231 2,233 3,235 9,239 1,243 1,247 8,251 1,252 3,255 3,256 1,257 1,260 4,264 3096,265 25.347,266 25.347,267 25.347,268 25.347,269 25.347,270 23.06,271 41.64,272 14.877,273 26.304,274 20.159,275 20.159,276 20.159,277 20.159,278 20.159,279 16.613,280 62.867,281 7,282 21.699,283 4.35,284 2.334,285 1.386,286 0.897,287 0.71,288 0.68,289 4.36,294 1,295 1412,296 4.416,300 608.584,307 2.729,308 56.162,311 0.75,312 0.67,313 0.83,314 0.9,315 1,316 0.83,317 1,318 0.85,319 86,320 662,321 4.561,322 4.472,323 7.254,324 4.275,325 3.388,326 4.067,327 3.825,328 12.281,329 3.062,330 4.14,331 3.562,332 5.74,333 3.721,334 2.784,335 3.737,336 1.656,337 8.044,338 2.623,339 4.012,340 3.092,341 5.697,342 3.617,343 2.697,344 3.587,345 0.916,346 7.964,347 2.491,348 3.865,349 3.075,350 5.562,351 3.594,352 2.659,353 3.156,354 0.86,355 7.619,356 2.442,357 3.715,358 2.809,359 5.437,360 3.474,361 2.53,362 2.903,363 0.8,364 7.218,365 2.372,366 3.6,367 2.672,368 5.335,369 3.299,370 2.367,371 2.773,372 0.4,373 6.87,374 2.162,375 3.454,376 2.53,377 5.2,378 3.165,379 2.232,380 2.597,381 0.247,382 6.562,383 2.078,384 3.305,385 2.43,386 5.027,387 2.952,388 2.02,389 2.506,390 0.172,391 5.933,392 1.869,393 3.169,394 2.206,395 4.816,396 2.819,397 1.887,398 2.354,400 5.429,401 1.747,402 3.034,403 2.06,404 4.577,405 2.689,406 1.709,407 2.069,409 4.788,410 1.655,411 2.675,412 1.38,413 4.103,414 2.124,415 1.211,416 1.754,417 3.204,418 1.103,419 2.582,420 1.281,421 3.497,422 2.118,423 1.156,424 1.615,425 2.634,426 1.094,427 2.5,428 1.146,429 3.414,430 2,431 1,432 1.5,433 2.275,434 1,435 2,436 1,437 3.414,438 1.967,439 1,440 1,441 2.275,442 0.965,443 1.682,444 0.859,445 3.166,446 1.591,447 0.624,448 0.643,449 1.238,450 0.601,451 17.324,452 0.456,453 1.03,454 0.027,455 47.5,456 1.25,457 21.5,458 0.566,459 26,460 0.684,461 34.09,462 0.897,463 43.276,464 0.636,465 42.485,466 1.118,467 9.766,468 0.257,469 8.462,470 0.223,471 0.126,472 0.029,473 0.277,476 3,478 0.688,479 1.291,480 0.725,481 1.233,482 0.58,483 1.035,484 0.575,485 0.807,486 0.789,487 0.917,488 0.354,489 0.904,490 0.818,491 0.936,492 0.947,493 1.056,494 0.582,495 1.037,496 0.811,497 1.118,498 0.907,499 1.206,500 0.771,501 1.123,502 1.006,503 0.839,504 0.9,505 0.82,506 1.163,507 0.83,508 1.22,509 1.147,510 1.04,511 1.036,512 1.267,513 0.997,514 1.171,515 1.257,516 1.047,517 1.061,518 1.38,519 1.032,520 1.496,521 1.056,522 1.243,523 0.869,524 1.716,525 0.951,526 10,527 0.223,528 3.333,529 2.563,530 2.258,531 1.354,532 1.153,533 0.5,534 0.608,535 0.365,536 25853,537 77109,538 2.031,539 44.1,541 23,543 1,544 3,546 3,549 1.783,550 1.892,551 4.02,552 0.843,558 118.123,559 1.737,560 3.754,561 4.702,562 5.19,563 5.378,564 5.407,565 3.527,566 4.774,567 5.215,568 4.231,569 2974.12,570 9.16,571 53167,576 413.947,577 1.538,578 5.168,579 0.244,580 0.006,581 0.058,582 0.045,583 0.042,584 0.026,585 0.023,586 0.01,587 0.015,588 0.009,589 0.478,590 0.17,591 0.88,592 0.848,593 216.585,594 -0.064,595 -0.229,596 0.039,597 -0.12,598 -0.075,599 -0.03,600 0.32,601 0.252,602 0.111,603 0.081,604 0.427,605 0.047,606 -0.095,607 -0.071,608 -0.059,609 -0.052,610 0.003,611 -0.04,612 0.013,613 -0.206,614 0.036,615 -0.179,616 0.025,617 -0.093,618 0.051,619 0.131,620 0.135,621 0.146,622 -0.023,623 0.16,624 -0.161,625 -0.104,626 -0.058,627 -0.018,628 -0.154,629 -0.007,630 0.178,631 0.014,632 0.006,633 -0.032,634 0.156,635 -0.061,636 -0.161,637 0.177,638 -0.18,639 0.115,640 -0.251,641 -0.002,642 5.789,643 5.842,644 0.632,645 55.679,646 1.02,647 1.152,648 3.712,649 13.776,650 0.642,651 3.738,652 4.06,653 4.248,654 4.477,655 4.7,656 4.71,657 4.844,658 4.883,659 5.017,660 5.063,661 9.769,662 0.626,663 529.63,664 3.738,665 5.283,666 6.107,667 6.978,668 7.818,669 8.69,670 9.538,671 10.41,672 11.263,673 12.135,674 10.3,677 2,679 1,681 2,684 2,690 9,691 2,695 7,697 18,709 1,714 1,716 68,718 19,719 2,720 41,722 71,723 26,724 16,725 5,726 7,728 4,729 4,731 1,732 2,737 1,740 17,741 9,744 1,749 1,753 1,758 3,760 30,761 12,762 3,763 12,769 7,775 1,776 2,788 1,794 4,816 2,819 4,823 2,825 3,827 38,833 6,834 3,835 1,838 2,839 1,849 3,850 2.9,853 1,855 1,858 20.083,859 12.562,860 8.361,861 4.045,863 3.2,864 1.394,865 0.975,866 9.182,867 11.314,868 3.951,869 4.494,870 4.954,871 5.474,872 5.978,873 6.063,874 6.394,875 6.635,876 6.922,877 7.211,878 0.917,879 57,880 14.605,881 6.626,882 8.068,883 26.208,884 20.954,885 2.568,886 97.583,890 317.82,891 150.59,892 93.852,894 36.145,895 44.88,897 150.59,898 353.965,899 138.732,900 17.222,901 48.656,902 75.81,903 88.498,904 87.876,905 11.418,906 306.049,907 7.76,908 317.82,909 244.442,910 81.025,913 282.506,914 116.338,917 80.108,918 112.753,919 51.582,921 362.7,922 129.997,923 150.59,926 325.579,927 41.181,928 107.899,929 54.032,930 114.596,931 317.82,932 174.877,933 150.59,935 0.581,936 0.324,937 0.168,938 0.095,939 25,940 12,941 0.113,942 8,944 1,945 4.884,946 349.587,948 24,949 186.666,954 27.804,955 12.549,956 7.892,958 174.877,959 13.387,960 8.045,964 1.357,966 54.032,967 643.287,968 51,973 12.479,977 -0.662,980 69.392,981 78.324,983 0.285,984 0.617,985 0.772,986 0.853,987 0.883,988 0.888,989 5.201,990 2.02,991 6.111,992 6.562,993 4.745,994 5.182,995 3.398,996 6.905,997 4.606,998 6.395,999 1.887,1000 7.664,1001 5.933,1002 4.443,1003 4.966,1004 3.963,1005 7.934,1006 4.147,1007 7.694,1008 1.709,1009 9.321,1010 5.429,1011 6.368,1012 7.272,1013 5.475,1014 10.925,1015 6.074,1016 9.023,1017 1.211,1018 11.042,1019 4.788,1020 6.836,1021 7.782,1022 6.702,1023 12.807,1024 6.371,1025 10.379,1026 1.156,1027 12.809,1028 3.204,1029 8.278,1030 9.63,1031 8.066,1032 15.421,1033 7.8,1034 11.756,1035 1,1036 14.613,1037 2.634,1038 9.11,1039 10.498,1040 9.391,1041 17.684,1042 8.47,1043 13.149,1044 1,1045 16.447,1046 2.275,1047 10.372,1048 12.138,1049 10.736,1050 20.21,1051 9.69,1052 3.388,1053 0.624,1054 18.306,1055 2.275,1056 11.389,1057 13.21,1058 12.075,1059 22.628,1060 10.559,1061 2.784,1062 12.281,1063 20.189,1064 1.238,1065 12.59,1066 14.737,1067 13.417,1068 25.136,1069 11.691,1070 2.697,1071 8.044,1072 22.09,1073 4.067,1074 13.701,1075 15.931,1076 14.758,1077 27.611,1078 12.669,1079 2.659,1080 7.964,1081 24.007,1082 3.737,1083 14.889,1084 17.394,1085 16.1,1086 30.118,1087 13.77,1088 2.53,1089 7.619,1090 25.938,1091 3.587,1092 16.048,1093 18.663,1094 17.441,1095 32.614,1096 14.807,1097 2.367,1098 7.218,1099 27.88,1100 3.156,1101 17.24,1102 20.09,1103 18.783,1104 35.121,1105 15.901,1106 2.232,1107 6.87,1108 29.831,1109 2.903,1110 18.425,1111 21.404,1112 20.124,1113 37.624,1114 16.97,1115 24738,1116 43069,1117 26.929,1118 43.66,1119 60.919,1120 60.818,1121 61.764,1122 60.732,1123 60.475,1124 74.736,1125 17.755,1126 172.381,1127 56.332,1128 5.561,1129 6.472,1130 6.847,1131 5.363,1132 5.388,1133 7.067,1134 5.335,1135 19.807,1136 5.062,1137 21.185,1138 1.486,1139 1.483,1140 1.506,1141 1.481,1142 1.475,1143 1.823,1144 0.433,1145 4.204,1146 1.374,1147 4.013,1148 4.052,1149 3.967,1150 3.912,1151 8.513,1152 3.918,1153 3.925,1154 3.956,1155 3.881,1156 3.827,1157 7.999,1158 3.832,1159 3.821,1160 3.887,1161 3.758,1162 3.636,1163 7.999,1164 3.661,1165 3.797,1166 3.852,1167 3.701,1168 3.616,1169 7.431,1170 3.628,1171 3.484,1172 3.547,1173 3.448,1174 3.25,1175 5.079,1176 3.265,1177 3.412,1178 3.484,1179 3.304,1180 3.155,1181 4.784,1182 3.182,1183 3.302,1184 3.399,1185 3.213,1186 3.016,1187 4.697,1188 3.043,1189 3.268,1190 3.324,1191 3.114,1192 2.978,1193 4.378,1194 3.009,1195 0.111,1196 0.109,1197 0.177,1198 0.104,1199 0.083,1200 4.561,1201 0.099,1202 4.472,1203 0.093,1204 7.254,1205 0.3,1206 4.275,1207 0.075,1208 3.388,1209 4.067,1210 3.825,1211 12.281,1212 3.062,1213 1.944,1214 1.917,1215 2.053,1216 2.075,1217 1.341,1218 2.07,1219 1.885,1220 1.861,1221 1.989,1222 2.021,1223 1.168,1224 2.008,1225 1.768,1226 1.697,1227 1.959,1228 1.971,1229 1.062,1230 1.967,1231 1.725,1232 1.676,1233 1.833,1234 1.919,1235 0.937,1236 1.903,1237 1.436,1238 1.352,1239 1.75,1240 1.678,1241 0.825,1242 1.702,1243 1.298,1244 1.246,1245 1.582,1246 1.606,1247 0.824,1248 1.582,1249 1.248,1250 1.144,1251 1.513,1252 1.551,1253 0.653,1254 1.541,1255 1.153,1256 1.064,1257 1.464,1258 1.416,1259 0.584,1260 1.429,1261 4.419,1263 5.74,1265 7.242,1267 8.823,1269 10.446,1271 3.801,1273 41.525,1277 4.244,1278 7.99,1279 5.666,1282 4.291,1283 -4.539,1289 42.578,1290 118.123,1291 255.24,1292 319.709,1293 352.928,1294 365.683,1295 367.683,1296 93.97,1297 8.114,1298 94.65,1299 94.65,1300 24,1301 12.681,1302 4.322,1303 3.459,1304 68.063,1305 224,1306 226,1307 0.144,1308 260.471,1309 462.61,1310 627.309,1311 45199,1312 4.4,1313 27.123,1314 0.714,1315 0.557,1316 24.623,1317 21.178,1318 18.228,1319 0.445,1320 0.298,1321 11.966,1322 17.174,1323 11.738,1324 9.711,1325 17.017,1326 12.238,1327 16.948,1328 0.297,1329 0.154,1330 14.953,1331 8.777,1332 12.967,1333 0.188,1334 0.09,1335 12.208,1336 6.212,1337 10.577,1338 0.122,1339 0.047,1340 9.834,1341 4.113,1342 8.658,1343 0.079,1344 0.026,1345 7.955,1346 2.82,1347 0.237,1348 116.519,1349 0.193,1350 35.406,1351 0.369,1352 196,1353 777.383,1354 232.926,1355 664.428,1356 874.93,1357 618,1358 224,1359 620.98,1360 253.502,1361 605.604,1362 899.67,1363 567,1364 5}
{0 CHEMBL575325,1 1.667,2 9,3 3.373,4 11.378,5 95.238,6 7.854,7 0.517,8 3.94,9 4.06,10 3.55,11 3.414,12 5.098,13 3.43,14 4.476,15 4.653,16 3.965,17 3.83,18 5.635,19 3.826,20 4.698,21 4.89,22 4.049,23 3.954,24 5.858,25 3.941,26 4.769,27 4.976,28 4.022,29 3.945,30 6.049,31 3.923,32 4.715,33 4.941,34 3.903,35 3.93,36 5.745,37 3.878,38 4.668,39 4.871,40 3.832,41 3.927,42 5.745,43 3.862,44 4.71,45 4.925,46 3.755,47 3.892,48 5.793,49 3.812,50 4.69,51 4.924,52 3.595,53 3.761,54 5.811,55 3.666,56 0.098,57 0.721,58 8.598,59 3.547,60 11.007,61 4.641,62 0.419,63 1.155,64 17.017,65 6.137,66 24.117,67 8.414,68 0.42,69 1.33,70 22.619,71 7.742,72 42.071,73 10.664,74 0.724,75 1.38,76 25.385,77 7.383,78 88.643,79 10.478,80 0.493,81 1.329,82 23.997,83 7.532,84 33.473,85 10.999,86 0.444,87 1.262,88 22.002,89 7.735,90 38.333,91 10.709,92 0.447,93 1.231,94 23.904,95 8.288,96 49.675,97 11.424,98 0.527,99 1.105,100 25.187,101 8.153,102 70.134,103 11.283,104 29,105 43,106 0.285,107 0.679,108 0.82,109 0.85,110 0.85,111 0.85,112 3.306,113 0.88,114 -3.79,115 -3.75,116 -3.57,118 40,119 1,120 2,123 1,124 1,138 4,139 1,140 1,143 1,147 1,148 2,153 1,154 1,157 1,167 6,170 5,171 2,173 3,175 2,178 5,181 2,182 4,184 1,186 2,188 2,191 5,192 8,195 1,197 1,199 1,203 2,204 6,206 1,211 3,214 1,215 7,218 1,220 1,223 5,228 6,231 1,233 3,235 4,240 8,243 1,245 4,247 2,252 4,257 2,264 920,265 17.508,266 17.508,267 17.508,268 17.508,269 17.508,270 15.577,271 17.279,272 10.129,273 17.897,274 14.254,275 14.254,276 14.254,277 14.254,278 14.254,279 11.062,280 17.162,281 4.763,282 14.918,283 3.825,284 1.525,285 0.7,286 0.522,287 0.522,288 0.522,289 3.998,292 1,293 1,294 1,295 506,296 2.915,299 84.22,300 128.864,302 69.266,303 83.887,306 113.394,307 1.385,308 30.993,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 57.5,320 234,321 4.831,322 3.857,323 7.135,324 4.367,325 3.432,326 4.797,327 1.713,328 12.457,329 3.212,330 4.333,331 3.432,332 6.653,333 3.986,334 3.029,335 3.882,336 1.001,337 10.643,338 2.901,339 3.976,340 3.254,341 6.064,342 3.561,343 2.601,344 3.491,345 0.514,346 8.467,347 2.484,348 3.704,349 2.813,350 5.757,351 3.338,352 2.376,353 2.997,355 7.527,356 2.278,357 3.539,358 2.62,359 5.196,360 3.142,361 2.178,362 2.836,364 6.193,365 2.084,366 3.306,367 2.273,368 5.078,369 2.93,370 1.968,371 2.512,373 5.852,374 1.881,375 3.06,376 2.045,377 4.95,378 2.652,379 1.685,380 2.219,382 5.111,383 1.621,384 2.768,385 1.491,386 4.458,387 2.347,388 1.388,389 1.869,391 4.004,392 1.325,393 2.504,394 1.394,395 3.847,396 2.241,397 1.281,398 1.5,400 2.855,401 1.223,402 2.5,403 1.133,404 3.414,405 2,406 1,407 1.498,409 2.275,410 1,411 1.978,412 1,413 3.381,414 1.626,415 0.677,416 0.822,417 1.656,418 0.639,419 1.89,420 0.882,421 3.345,422 1.492,423 0.497,424 0.636,425 1.19,426 0.487,427 1.299,428 0.748,429 2.85,430 1.061,431 0.094,432 0.11,433 0.181,434 0.091,435 1.108,436 0.178,437 2.571,438 0.769,439 -0.173,440 -0.211,441 -0.375,442 -0.161,443 1,444 0.08,445 2.412,446 0.529,447 -0.515,448 -0.645,449 -1.242,450 -0.514,451 12,452 0.462,453 0.751,454 0.029,455 34.5,456 1.327,457 16,458 0.615,459 18.5,460 0.712,461 20.835,462 0.801,463 28.2,464 0.627,465 26.709,466 1.027,467 6.656,468 0.256,469 5.851,470 0.225,471 0.167,473 0.433,478 0.826,479 1.595,480 0.735,481 1.154,482 0.646,483 0.957,484 0.53,485 0.951,486 0.69,487 0.874,488 0.466,489 0.819,490 0.881,491 1.217,492 0.79,493 1.031,494 0.855,495 0.916,496 0.979,497 1.019,498 0.992,499 0.906,500 0.876,501 0.93,502 0.754,503 1.003,504 0.94,505 0.937,506 0.571,507 0.95,508 0.834,509 1.062,510 1.09,511 1.103,512 0.758,513 1.134,514 0.941,515 1.072,516 1.128,517 1.187,518 0.917,519 1.193,520 1.111,521 1.003,522 1.131,523 1.125,524 1.188,525 1.14,526 5,527 0.062,528 3.556,529 2.549,530 2.128,531 1.261,532 0.78,533 0.598,534 0.347,535 0.244,536 6994,537 20452,538 2.078,539 42.2,540 5,541 9,542 1,544 2,546 2,549 1.698,550 1.902,551 3.134,552 0.327,553 1,554 1,556 1,558 75,559 1.667,560 3.967,561 4.792,562 4.969,563 4.969,564 4.969,565 2.705,566 4.364,567 4.666,568 3.285,569 1067.47,570 8.131,571 12725.3,573 1,575 1,576 247.133,577 1.513,578 4.611,579 0.172,580 0.007,581 0.083,582 0.055,583 0.049,584 0.032,585 0.022,586 0.019,587 0.013,588 0.014,589 0.466,590 0.33,591 1,592 1.181,593 123.938,594 -0.101,595 -0.366,596 0.046,597 -0.105,598 -0.075,599 -0.02,600 0.242,601 0.214,602 0.18,603 0.11,604 0.109,605 0.118,606 0.01,607 -0.164,608 0.132,609 -0.034,610 -0.011,611 0.051,612 0.046,613 0.043,614 -0.031,615 0.024,616 0.098,617 -0.011,618 -0.003,619 0.054,620 -0.004,621 0.025,622 0.02,623 0.02,624 -0.058,625 -0.005,626 -0.185,627 -0.098,628 -0.045,629 -0.153,630 -0.089,631 -0.082,632 -0.186,633 -0.18,634 -0.073,635 -0.195,636 -0.103,637 -0.103,638 -0.124,639 -0.131,640 -0.093,641 -0.132,642 2.151,643 5.371,644 0.692,645 22.337,646 1.015,647 1.134,648 2.56,649 6.553,650 0.66,651 3.401,652 3.784,653 4.143,654 4.5,655 4.804,656 5.043,657 5.252,658 5.421,659 5.533,660 5.549,661 5.455,662 0.643,663 353.42,664 3.401,665 4.977,666 5.872,667 6.797,668 7.722,669 8.66,670 9.598,671 10.544,672 11.489,673 12.439,674 11.1,681 2,682 2,684 1,689 1,690 5,691 1,695 5,696 1,697 15,713 1,716 45,718 17,719 1,720 29,722 48,723 18,724 11,725 2,726 4,727 1,728 4,729 7,731 1,732 1,738 2,740 13,741 5,744 2,749 2,753 2,756 1,757 1,760 19,761 6,762 2,763 8,766 2,769 5,772 1,775 0.5,776 3,793 2,794 2,796 1,797 1,800 1,819 2,823 2,827 26,832 1,833 3,834 1,838 1,850 6.7,852 1,853 2,858 13.667,859 8.75,860 5.667,861 2.851,863 2.999,864 1.386,865 0.989,866 4.151,867 10.777,868 3.676,869 4.337,870 5.016,871 5.716,872 6.29,873 6.823,874 7.337,875 7.732,876 8.144,877 8.425,878 1,879 46,880 9.638,881 4.241,882 7.936,883 18.091,884 15.089,885 2.436,886 63.333,889 1,890 200.109,891 92.643,892 41.106,894 92.973,897 92.643,898 293.082,899 41.106,900 17.222,901 28.31,902 46.952,903 114.463,904 7.658,905 23.888,906 188.338,908 200.109,909 133.749,910 92.973,913 176.567,914 116.515,917 41.607,918 75.356,919 16.786,921 200.109,922 134.079,923 92.643,926 200.109,927 28.469,928 70.484,929 18.011,930 109.759,931 200.109,932 134.079,933 92.643,935 0.59,936 0.356,937 0.199,938 0.121,939 23,940 11,941 0.083,942 4,943 2,944 1.222,945 3.622,946 237.378,947 0.222,948 18,949 118.211,954 16.972,955 6.359,956 2.686,957 0.614,958 130.894,959 8.767,960 4.572,964 2.714,965 2.041,966 60.694,967 426.831,968 38.5,973 24.228,977 -0.942,980 45.676,981 51.026,983 0.303,984 0.722,985 0.872,986 0.905,987 0.905,988 0.905,989 4.947,990 1.388,991 5.894,992 5.111,993 4.466,994 5.024,995 2.123,996 6.801,997 4.372,998 6.19,999 1.281,1000 7.514,1001 4.004,1002 4.205,1003 5.027,1004 1.305,1005 7.874,1006 4.048,1007 7.535,1008 1,1009 9.234,1010 2.855,1011 6.146,1012 7.325,1013 2.693,1014 11.054,1015 5.942,1016 8.921,1017 0.677,1018 11.013,1019 2.275,1020 6.711,1021 8.18,1022 2.473,1023 12.97,1024 6.434,1025 10.342,1026 0.497,1027 12.83,1028 1.656,1029 8.157,1030 9.988,1031 3.51,1032 15.69,1033 7.831,1034 11.79,1035 0.094,1036 14.673,1037 1.19,1038 9.086,1039 11.231,1040 3.63,1041 17.952,1042 8.686,1043 13.258,1044 -0.173,1045 16.536,1046 0.181,1047 10.364,1048 12.868,1049 4.453,1050 20.523,1051 9.908,1052 3.432,1053 -0.515,1054 18.415,1055 -0.375,1056 11.454,1057 14.287,1058 4.762,1059 22.928,1060 10.924,1061 3.029,1062 12.457,1063 20.305,1064 -1.242,1065 12.678,1066 15.866,1067 5.462,1068 25.451,1069 12.087,1070 2.601,1071 10.643,1072 22.206,1073 4.797,1074 13.837,1075 17.364,1076 5.873,1077 27.915,1078 13.175,1079 2.376,1080 8.467,1081 24.115,1082 3.882,1083 15.048,1084 18.927,1085 6.504,1086 30.425,1087 14.321,1088 2.178,1089 7.527,1090 26.031,1091 3.491,1092 16.239,1093 20.46,1094 6.97,1095 32.915,1096 15.441,1097 1.968,1098 6.193,1099 27.953,1100 2.997,1101 17.45,1102 22.02,1103 7.562,1104 35.424,1105 16.585,1106 1.685,1107 5.852,1108 29.88,1109 2.836,1110 18.656,1111 23.569,1112 8.059,1113 37.927,1114 17.722,1115 6814,1116 11821,1117 19.016,1118 29.722,1119 44.917,1120 46.658,1121 47.384,1122 44.473,1123 44.415,1124 58.337,1125 6.457,1126 136.82,1127 42.453,1128 5.777,1129 5.857,1130 6.994,1131 5.453,1132 5.432,1133 7.797,1134 3.02,1135 20.21,1136 5.212,1137 14.534,1138 1.549,1139 1.609,1140 1.634,1141 1.534,1142 1.532,1143 2.012,1144 0.223,1145 4.718,1146 1.464,1147 4.213,1148 4.265,1149 4.197,1150 4.029,1151 7.447,1152 4.063,1153 3.871,1154 3.897,1155 3.822,1156 3.771,1157 7.411,1158 3.782,1159 3.7,1160 3.758,1161 3.623,1162 3.527,1163 6.471,1164 3.527,1165 3.576,1166 3.642,1167 3.424,1168 3.359,1169 5.044,1170 3.381,1171 3.229,1172 3.303,1173 3.125,1174 2.981,1175 4.603,1176 2.998,1177 3.144,1178 3.225,1179 3.059,1180 2.868,1181 4.235,1182 2.904,1183 3.033,1184 3.076,1185 2.858,1186 2.856,1187 4.109,1188 2.85,1189 2.854,1190 2.925,1191 2.695,1192 2.735,1193 3.85,1194 2.715,1195 0.167,1196 0.133,1197 0.246,1198 0.151,1199 0.118,1200 4.831,1201 0.165,1202 3.857,1203 0.059,1204 7.135,1205 0.43,1206 4.367,1207 0.111,1208 3.432,1209 4.797,1210 1.713,1211 12.457,1212 3.212,1213 1.919,1214 1.895,1215 2.024,1216 2.029,1217 1.286,1218 2.026,1219 1.724,1220 1.679,1221 1.958,1222 1.96,1223 1.101,1224 1.928,1225 1.714,1226 1.656,1227 1.794,1228 1.903,1229 0.899,1230 1.901,1231 1.467,1232 1.394,1233 1.643,1234 1.731,1235 0.822,1236 1.707,1237 1.382,1238 1.326,1239 1.582,1240 1.603,1241 0.675,1242 1.603,1243 1.101,1244 1.024,1245 1.355,1246 1.407,1247 0.447,1248 1.403,1249 1.007,1250 0.917,1251 1.289,1252 1.26,1253 0.353,1254 1.287,1255 0.886,1256 0.842,1257 1.181,1258 1.143,1259 0.218,1260 1.107,1261 4.078,1263 5.442,1264 3.045,1265 7.006,1266 5.533,1267 8.67,1268 7.758,1269 10.392,1271 3.696,1276 9.546,1277 2.699,1278 2.328,1282 1.341,1289 28.939,1290 75,1291 178.504,1292 215.624,1293 223.624,1294 223.624,1295 223.624,1296 46.682,1297 7.778,1298 97.32,1299 97.32,1300 22,1301 12.929,1302 4.17,1303 3.392,1304 37.724,1305 85,1306 93,1307 0.228,1308 176.4,1309 298.07,1310 422.176,1311 22283,1313 18.422,1314 0.709,1315 0.56,1316 18.422,1317 14.561,1318 12.507,1319 0.431,1320 0.293,1321 8.356,1322 11.914,1323 8.163,1324 6.798,1325 12.507,1326 8.509,1327 11.58,1328 0.269,1329 0.147,1330 11.58,1331 6.339,1332 10.258,1333 0.165,1334 0.074,1335 10.258,1336 4.614,1337 8.793,1338 0.099,1339 0.036,1340 8.793,1341 3.202,1342 7.458,1343 0.062,1344 0.019,1345 7.458,1346 2.294,1347 0.343,1348 79.289,1349 0.229,1350 24.393,1351 0.678,1352 144,1353 448.534,1354 162.938,1355 429.853,1356 592.74,1357 400,1358 177,1359 451.937,1360 197.635,1361 452.668,1362 676.47,1363 426,1364 6.253}
{0 CHEMBL575334,1 1.721,2 9.938,3 3.477,4 12.086,5 112.67,6 8.805,7 0.583,8 4.052,9 4.146,10 3.753,11 3.555,12 5.319,13 3.597,14 4.55,15 4.682,16 4.175,17 3.961,18 5.891,19 3.993,20 4.736,21 4.866,22 4.292,23 4.106,24 6.038,25 4.133,26 4.867,27 5.014,28 4.31,29 4.132,30 6.279,31 4.157,32 4.887,33 5.07,34 4.24,35 4.161,36 6.068,37 4.152,38 4.844,39 5.021,40 4.186,41 4.175,42 5.991,43 4.149,44 4.851,45 5.02,46 4.193,47 4.156,48 6.07,49 4.133,50 4.881,51 5.047,52 4.151,53 4.078,54 6.2,55 4.061,56 0.194,57 0.767,58 6.942,59 3.858,60 14.202,61 3.964,62 0.621,63 1.235,64 14.453,65 6.354,66 47.04,67 7.029,68 0.567,69 1.443,70 17.053,71 7.884,72 42.985,73 8.587,74 0.909,75 1.586,76 21.552,77 8.319,78 96.232,79 8.726,80 0.842,81 1.621,82 24.3,83 9.009,84 58.889,85 10.615,86 0.633,87 1.549,88 22.324,89 9.428,90 52.6,91 11.17,92 0.675,93 1.523,94 22.027,95 9.546,96 43.742,97 11.191,98 0.865,99 1.47,100 23.93,101 9.846,102 70.085,103 11.176,104 41,105 54,106 0.284,107 0.668,108 0.781,109 0.848,110 0.868,111 0.868,112 3.504,113 0.8,114 -3.74,115 -3.7,116 -3.52,118 44.9,123 2,138 8,139 2,140 2,143 1,147 1,148 2,153 2,154 1,157 1,162 1,165 1,167 9,168 1,170 5,171 4,173 4,175 1,178 8,179 2,181 3,182 9,184 1,186 2,188 4,189 2,191 5,192 11,195 1,197 2,199 1,200 1,203 4,204 11,206 1,208 1,211 4,214 1,215 10,216 1,220 1,223 7,227 2,228 10,229 1,231 1,233 3,235 7,239 2,240 10,241 1,243 2,245 4,247 4,248 1,251 2,252 8,253 1,255 1,257 3,260 1,261 2,264 1794,265 21.577,266 21.577,267 21.577,268 21.577,269 21.577,270 18.865,271 21.526,272 12.209,273 22.093,274 17.661,275 17.661,276 17.661,277 17.661,278 17.661,279 13.236,280 23.305,281 5.654,282 18.426,283 3.894,284 1.567,285 0.888,286 0.48,287 0.357,288 0.357,289 4.207,293 1,294 1,295 693,296 3.24,299 105.712,300 239.896,302 86.803,303 107.41,306 143.257,307 1.387,308 43.654,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 71.5,320 318,321 4.866,322 3.859,323 7.211,324 4.401,325 3.467,326 4.833,327 1.713,328 12.766,329 3.241,330 4.425,331 3.577,332 6.823,333 4.072,334 3.117,335 4.019,336 1.437,337 11.249,338 2.976,339 4.178,340 3.471,341 6.154,342 3.789,343 2.797,344 3.785,345 1.001,346 8.937,347 2.764,348 4.023,349 3.35,350 6.065,351 3.628,352 2.668,353 3.502,354 0.86,355 8.525,356 2.562,357 3.812,358 2.963,359 5.897,360 3.455,361 2.486,362 3.148,363 0.514,364 8.049,365 2.389,366 3.593,367 2.757,368 5.684,369 3.213,370 2.238,371 2.865,373 7.246,374 2.167,375 3.348,376 2.409,377 5.178,378 2.928,379 1.966,380 2.578,382 5.985,383 1.878,384 3.067,385 2.089,386 5.027,387 2.585,388 1.639,389 2.255,391 5.139,392 1.54,393 2.95,394 1.945,395 4.531,396 2.459,397 1.487,398 2.085,400 4.218,401 1.436,402 2.917,403 1.654,404 4.273,405 2.449,406 1.473,407 2.076,409 3.536,410 1.425,411 2.718,412 1.384,413 3.773,414 2.193,415 1.231,416 1.779,417 3.004,418 1.175,419 2.533,420 1.313,421 3.651,422 2.002,423 1.012,424 1.5,425 2.652,426 1,427 2.5,428 1.03,429 3.53,430 2,431 1,432 1.494,433 2.275,434 0.992,435 1.914,436 1,437 3.414,438 1.494,439 0.556,440 0.689,441 1.382,442 0.509,443 1.869,444 0.939,445 3.347,446 1.455,447 0.499,448 0.63,449 1.129,450 0.473,451 14.667,452 0.458,453 0.943,454 0.029,455 46.25,456 1.445,457 23.5,458 0.734,459 22.75,460 0.711,461 23.962,462 0.749,463 33.333,464 0.68,465 40.816,466 1.276,467 9.541,468 0.298,469 5.86,470 0.183,471 0.159,473 0.457,478 0.816,479 1.443,480 0.645,481 1.057,482 0.637,483 0.851,484 0.642,485 0.861,486 0.651,487 0.745,488 0.473,489 0.708,490 0.85,491 1.254,492 0.791,493 1.071,494 0.807,495 0.949,496 1.075,497 1.112,498 1.04,499 0.981,500 0.953,501 0.985,502 0.846,503 0.939,504 0.97,505 0.865,506 0.693,507 0.916,508 0.761,509 1.029,510 0.948,511 1.004,512 0.59,513 1.013,514 0.766,515 1.046,516 0.976,517 1.106,518 0.637,519 1.098,520 0.972,521 1.116,522 1.097,523 1.227,524 0.987,525 1.21,526 6,527 0.219,528 4.444,529 3.076,530 2.63,531 1.703,532 1.019,533 0.823,534 0.661,535 0.415,536 12233,537 41655,538 2.097,539 34.7,541 14,542 1,544 2,549 1.755,550 1.92,551 3.244,552 0.27,554 1,558 84.307,559 1.721,560 4.047,561 4.727,562 5.135,563 5.257,564 5.257,565 2.721,566 4.75,567 4.967,568 3.431,569 1701.8,570 8.747,571 23381.5,573 1,575 1,576 275.121,577 1.505,578 4.912,579 0.167,580 0.01,581 0.082,582 0.051,583 0.045,584 0.03,585 0.019,586 0.016,587 0.014,588 0.012,589 0.446,590 0.33,591 0.88,592 0.859,593 163.042,594 -0.118,595 -0.306,596 0.033,597 -0.098,598 -0.097,599 -0.014,600 0.173,601 0.267,602 0.145,603 0.192,604 0.126,605 0.156,606 -0.029,607 -0.176,608 0.019,609 -0.112,610 -0.041,611 -0.058,612 -0.086,613 -0.036,614 -0.155,615 -0.056,616 -0.003,617 -0.11,618 -0.04,619 0.116,620 -0.039,621 0.087,622 -0.043,623 0.044,624 -0.065,625 -0.007,626 -0.049,627 -0.009,628 -0.023,629 -0.014,630 -0.002,631 -0.038,632 -0.073,633 -0.109,634 0.002,635 -0.107,637 -0.163,638 -0.127,639 -0.23,640 -0.045,641 -0.22,642 2.69,643 5.634,644 0.75,645 30.059,646 1.03,647 1.123,648 2.51,649 6.302,650 0.691,651 3.611,652 4.007,653 4.382,654 4.736,655 5.05,656 5.308,657 5.568,658 5.787,659 5.981,660 6.091,661 6.077,662 0.691,663 431.44,664 3.611,665 5.198,666 6.103,667 7.031,668 7.96,669 8.9,670 9.841,671 10.789,672 11.737,673 12.69,674 10.2,681 2,682 2,684 1,689 1,690 9,691 1,695 7,696 1,697 21,706 1,714 1,716 49,718 24,719 2,720 36,722 53,723 22,724 17,725 4,726 8,727 2,728 5,729 8,731 1,740 20,741 2,744 3,749 3,753 3,757 1,760 17,761 8,762 2,763 10,766 2,769 5,772 1,775 0.6,776 5,793 2,794 3,796 1,797 1,800 1,817 1,819 3,823 2,827 32,832 1,834 1,835 1,838 1,850 10.2,852 1,853 3,855 1,858 16.667,859 9.667,860 6.917,861 2.676,863 3.931,864 1.466,865 1.009,866 4.766,867 12.374,868 3.922,869 4.595,870 5.286,871 5.985,872 6.594,873 7.145,874 7.729,875 8.211,876 8.72,877 9.12,878 0.857,879 60,880 11.838,881 5.292,882 8.073,883 21.707,884 18.029,885 2.573,886 82.333,889 1,890 176.567,891 137.526,892 41.106,894 129.118,897 137.526,898 305.685,899 41.106,900 19.279,901 21.135,902 84.857,903 140.518,904 29.843,905 23.888,906 164.795,908 176.567,909 178.633,910 129.118,913 176.567,914 129.118,917 25.607,918 136.24,919 16.786,921 176.567,922 170.224,923 137.526,926 176.567,927 33.39,928 110.447,929 18.011,930 145.904,931 176.567,932 170.224,933 137.526,935 0.596,936 0.369,937 0.204,938 0.115,939 29,940 14,941 0.075,942 4,943 2,944 1.167,945 4.035,946 328.047,947 0.167,948 24,949 154,954 20.301,955 7.512,956 3.111,957 0.397,958 167.039,959 15.442,960 4.599,964 3.225,965 1.804,966 60.694,967 484.317,968 49.5,973 35.962,977 -2.137,980 50.447,981 55.03,983 0.306,984 0.721,985 0.842,986 0.915,987 0.936,988 0.936,989 5.194,990 1.639,991 6.129,992 5.985,993 4.691,994 5.283,995 2.637,996 7.045,997 4.607,998 6.446,999 1.487,1000 7.756,1001 5.139,1002 4.443,1003 5.255,1004 1.305,1005 8.141,1006 4.31,1007 7.793,1008 1.473,1009 9.483,1010 4.218,1011 6.385,1012 7.582,1013 3.194,1014 11.315,1015 6.206,1016 9.179,1017 1.231,1018 11.267,1019 3.536,1020 6.957,1021 8.398,1022 2.473,1023 13.246,1024 6.714,1025 10.599,1026 1.012,1027 13.089,1028 3.004,1029 8.403,1030 10.224,1031 3.948,1032 15.965,1033 8.114,1034 12.044,1035 1,1036 14.936,1037 2.652,1038 9.331,1039 11.431,1040 3.63,1041 18.241,1042 8.97,1043 13.509,1044 0.556,1045 16.801,1046 2.275,1047 10.606,1048 13.075,1049 4.811,1050 20.819,1051 10.192,1052 3.467,1053 0.499,1054 18.682,1055 1.382,1056 11.692,1057 14.469,1058 4.762,1059 23.241,1060 11.204,1061 3.117,1062 12.766,1063 20.574,1064 1.129,1065 12.913,1066 16.048,1067 5.74,1068 25.777,1069 12.364,1070 2.797,1071 11.249,1072 22.477,1073 4.833,1074 14.07,1075 17.531,1076 5.873,1077 28.26,1078 13.446,1079 2.668,1080 8.937,1081 24.388,1082 4.019,1083 15.279,1084 19.092,1085 6.713,1086 30.787,1087 14.59,1088 2.486,1089 8.525,1090 26.306,1091 3.785,1092 16.469,1093 20.618,1094 6.97,1095 33.297,1096 15.705,1097 2.238,1098 8.049,1099 28.231,1100 3.502,1101 17.681,1102 22.177,1103 7.715,1104 35.825,1105 16.848,1106 1.966,1107 7.246,1108 30.161,1109 3.148,1110 18.888,1111 23.724,1112 8.059,1113 38.348,1114 17.981,1115 11688,1116 21704,1117 23.698,1118 33.869,1119 56.629,1120 58.852,1121 59.114,1122 55.849,1123 55.891,1124 75.276,1125 11.05,1126 173.403,1127 53.618,1128 5.812,1129 5.859,1130 6.903,1131 5.488,1132 5.467,1133 7.833,1134 3.15,1135 20.554,1136 5.241,1137 18.327,1138 1.573,1139 1.635,1140 1.642,1141 1.551,1142 1.553,1143 2.091,1144 0.307,1145 4.817,1146 1.489,1147 4.225,1148 4.273,1149 4.213,1150 4.055,1151 7.475,1152 4.086,1153 3.897,1154 3.921,1155 3.856,1156 3.813,1157 7.447,1158 3.817,1159 3.864,1160 3.888,1161 3.812,1162 3.759,1163 7.411,1164 3.773,1165 3.622,1166 3.668,1167 3.579,1168 3.386,1169 6.351,1170 3.427,1171 3.282,1172 3.315,1173 3.246,1174 3.038,1175 5.075,1176 3.081,1177 3.249,1178 3.296,1179 3.116,1180 2.97,1181 4.816,1182 2.981,1183 3.211,1184 3.259,1185 3.063,1186 2.923,1187 4.667,1188 2.955,1189 3.008,1190 3.039,1191 2.96,1192 2.765,1193 4.386,1194 2.804,1195 0.135,1196 0.107,1197 0.2,1198 0.122,1199 0.096,1200 4.866,1201 0.134,1202 3.859,1203 0.048,1204 7.211,1205 0.355,1206 4.401,1207 0.09,1208 3.467,1209 4.833,1210 1.713,1211 12.766,1212 3.241,1213 1.956,1214 1.933,1215 2.039,1216 2.059,1217 1.163,1218 2.051,1219 1.871,1220 1.848,1221 1.974,1222 1.983,1223 1.065,1224 1.972,1225 1.719,1226 1.681,1227 1.795,1228 1.945,1229 0.901,1230 1.907,1231 1.456,1232 1.39,1233 1.589,1234 1.727,1235 0.682,1236 1.682,1237 1.381,1238 1.35,1239 1.573,1240 1.582,1241 0.594,1242 1.552,1243 1.197,1244 1.124,1245 1.454,1246 1.511,1247 0.573,1248 1.529,1249 1.108,1250 1.043,1251 1.358,1252 1.411,1253 0.364,1254 1.408,1255 1.002,1256 0.974,1257 1.181,1258 1.339,1259 0.218,1260 1.271,1261 4.29,1263 5.666,1264 3.045,1265 7.244,1266 5.533,1267 8.916,1268 7.766,1269 10.642,1271 3.087,1276 9.224,1278 2.302,1279 5.541,1282 1.275,1289 33.842,1290 84.307,1291 198.327,1292 231.611,1293 251.611,1294 257.611,1295 257.611,1296 61.842,1297 8.443,1298 123.62,1299 123.62,1300 28,1301 13.178,1302 4.644,1303 3.858,1304 45.231,1305 111,1306 135,1307 0.197,1308 203.659,1309 351.03,1310 488.688,1311 50862,1313 22.568,1314 0.705,1315 0.533,1316 22.568,1317 17.065,1318 15.401,1319 0.428,1320 0.267,1321 9.397,1322 14.591,1323 9.194,1324 7.607,1325 15.401,1326 9.604,1327 14.366,1328 0.266,1329 0.133,1330 14.366,1331 7.176,1332 12.941,1333 0.164,1334 0.068,1335 12.941,1336 5.378,1337 11.233,1338 0.099,1339 0.034,1340 11.233,1341 3.797,1342 9.376,1343 0.06,1344 0.017,1345 9.376,1346 2.657,1347 0.296,1348 98.307,1349 0.205,1350 28.924,1351 0.584,1352 180,1353 616.005,1354 204.474,1355 584.617,1356 798.84,1357 544,1358 223,1359 597.823,1360 248.841,1361 600.432,1362 894.87,1363 563,1364 4.699}
{0 CHEMBL575335,1 1.696,2 8.567,3 3.605,4 12.994,5 107.606,6 8.584,7 0.618,8 4.011,9 4.11,10 3.696,11 3.512,12 5.246,13 3.549,14 4.509,15 4.649,16 4.115,17 3.918,18 5.754,19 3.945,20 4.697,21 4.834,22 4.227,23 4.053,24 5.957,25 4.076,26 4.807,27 4.966,28 4.252,29 4.081,30 6.167,31 4.1,32 4.83,33 5.008,34 4.222,35 4.126,36 6.006,37 4.118,38 4.836,39 5.009,40 4.179,41 4.15,42 6.011,43 4.129,44 4.839,45 5.017,46 4.141,47 4.119,48 6.044,49 4.092,50 4.828,51 4.997,52 4.06,53 4.01,54 6.145,55 3.983,56 0.153,57 0.744,58 7.232,59 3.698,60 10.986,61 3.997,62 0.5,63 1.198,64 14.598,65 6.117,66 23.23,67 7.006,68 0.514,69 1.39,70 17.634,71 7.529,72 39.045,73 8.462,74 0.773,75 1.517,76 21.558,77 7.854,78 82.659,79 8.947,80 0.713,81 1.558,82 22.754,83 8.42,84 36.582,85 10.281,86 0.617,87 1.524,88 22.776,89 9.134,90 47.14,91 10.803,92 0.589,93 1.486,94 23.305,95 9.509,96 45.169,97 11.422,98 0.75,99 1.383,100 23.45,101 9.43,102 63.608,103 10.983,104 27,105 51,106 0.283,107 0.664,108 0.784,109 0.87,110 0.894,111 0.894,112 3.442,113 0.807,114 -3.51,115 -3.49,116 -3.33,118 44.7,123 2,138 8,139 1,140 3,143 1,147 1,148 2,153 1,154 1,157 1,167 7,170 5,171 3,173 3,175 2,178 6,181 3,182 7,184 1,186 2,188 3,191 5,192 8,195 1,197 1,199 1,203 4,204 9,206 2,211 4,214 1,215 9,218 1,220 1,223 6,227 1,228 9,231 1,233 4,235 5,239 1,240 8,243 2,245 5,247 3,251 1,252 7,255 2,256 1,257 3,260 1,264 1440,265 20.37,266 20.37,267 20.37,268 20.37,269 20.37,270 17.75,271 21.405,272 11.61,273 20.921,274 16.71,275 16.71,276 16.71,277 16.71,278 16.71,279 12.479,280 22.817,281 5.415,282 17.548,283 3.858,284 1.575,285 0.857,286 0.346,287 0.202,288 0.202,289 4.148,293 1,294 1,295 563,296 2.739,299 93.319,300 216.794,302 76.593,303 95.003,306 126.709,307 1.291,308 36.554,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 66.5,320 257,321 4.866,322 3.859,323 7.211,324 4.401,325 3.467,326 4.834,327 1.713,328 12.768,329 3.241,330 4.425,331 3.473,332 6.823,333 4.072,334 3.118,335 4.018,336 1.001,337 11.252,338 2.974,339 4.123,340 3.352,341 6.155,342 3.716,343 2.745,344 3.736,345 0.86,346 8.953,347 2.663,348 3.954,349 2.966,350 6.062,351 3.546,352 2.599,353 3.418,354 0.514,355 8.515,356 2.45,357 3.655,358 2.827,359 5.707,360 3.277,361 2.31,362 2.946,364 7.341,365 2.224,366 3.505,367 2.573,368 5.204,369 3.102,370 2.139,371 2.793,373 6.2,374 2.045,375 3.257,376 2.21,377 5.09,378 2.849,379 1.893,380 2.468,382 5.725,383 1.798,384 3.067,385 2.068,386 4.935,387 2.585,388 1.639,389 2.255,391 5.106,392 1.54,393 2.917,394 1.657,395 4.439,396 2.458,397 1.487,398 2.085,400 3.947,401 1.436,402 2.807,403 1.431,404 4.203,405 2.309,406 1.35,407 1.932,409 3.396,410 1.291,411 2.691,412 1.354,413 3.676,414 2.181,415 1.212,416 1.767,417 2.942,418 1.169,419 2.513,420 1.184,421 3.538,422 1.998,423 1.013,424 1.512,425 2.495,426 0.996,427 1.914,428 0.962,429 3.469,430 1.492,431 0.553,432 0.685,433 1.375,434 0.506,435 1.865,436 0.936,437 3.347,438 1.453,439 0.499,440 0.63,441 1.129,442 0.473,443 1.601,444 0.829,445 2.887,446 1.225,447 0.308,448 0.401,449 0.609,450 0.282,451 13.833,452 0.461,453 0.854,454 0.028,455 44,456 1.467,457 22.5,458 0.75,459 21.5,460 0.717,461 21.925,462 0.731,463 31.167,464 0.663,465 37.195,466 1.24,467 8.992,468 0.3,469 5.498,470 0.183,471 0.145,473 0.448,478 0.856,479 1.458,480 0.664,481 1.06,482 0.671,483 0.857,484 0.736,485 0.886,486 0.672,487 0.768,488 0.554,489 0.717,490 0.951,491 1.247,492 0.83,493 1.052,494 0.955,495 0.942,496 1.021,497 1.091,498 0.955,499 0.936,500 0.898,501 0.918,502 0.802,503 0.974,504 0.919,505 0.895,506 0.65,507 0.913,508 0.921,509 1.003,510 0.994,511 0.995,512 0.816,513 1,514 0.886,515 1.022,516 0.988,517 1.1,518 0.744,519 1.071,520 1.022,521 1.151,522 1.128,523 1.295,524 1.072,525 1.254,526 5.5,527 0.078,528 3.778,529 2.951,530 2.55,531 1.467,532 1.027,533 0.78,534 0.562,535 0.264,536 10075,537 31438,538 2.124,539 36.2,541 14,542 1,544 2,549 1.74,550 1.957,551 3.06,552 0.276,554 1,558 79.731,559 1.696,560 3.979,561 4.698,562 5.209,563 5.352,564 5.352,565 2.511,566 4.748,567 4.878,568 3.238,569 1408.57,570 8.575,571 18522.4,573 1,575 1,576 261.066,577 1.482,578 4.825,579 0.162,580 0.01,581 0.074,582 0.053,583 0.046,584 0.027,585 0.019,586 0.016,587 0.013,588 0.01,589 0.428,590 0.5,591 0.88,592 0.758,593 148.471,594 -0.119,595 -0.318,596 0.041,597 -0.102,598 -0.107,599 -0.015,600 0.118,601 0.242,602 0.142,603 0.166,604 0.048,605 0.148,606 -0.039,607 -0.173,608 0.007,609 -0.099,610 -0.083,611 -0.057,612 -0.014,613 -0.013,614 -0.055,615 -0.014,616 0.077,617 -0.038,618 0.035,619 0.096,620 -0.013,621 0.047,622 0.005,623 0.017,624 -0.087,625 0.018,626 -0.091,627 -0.014,628 -0.074,629 -0.039,630 -0.04,631 -0.034,632 -0.06,633 -0.104,634 0.01,635 -0.084,636 0.031,637 -0.211,638 -0.155,639 -0.298,641 -0.274,642 2.203,643 5.594,644 0.8,645 24.933,646 1.024,647 1.124,648 2.282,649 5.206,650 0.69,651 3.555,652 3.951,653 4.331,654 4.71,655 5.024,656 5.268,657 5.529,658 5.753,659 5.916,660 6.001,661 5.54,662 0.684,663 403.43,664 3.555,665 5.142,666 6.047,667 6.98,668 7.911,669 8.856,670 9.799,671 10.751,672 11.702,673 12.658,674 10.6,681 2,682 2,684 1,689 1,690 9,691 1,695 7,696 1,697 21,713 1,714 1,716 47,718 23,719 2,720 34,722 51,723 21,724 17,725 4,726 8,727 1,728 5,729 8,731 1,740 19,741 2,744 2,749 2,753 2,757 1,760 17,761 7,762 2,763 9,766 2,769 5,772 1,775 0.6,776 4,793 2,794 3,796 1,797 1,800 1,819 3,823 2,827 30,832 1,834 1,835 1,838 1,850 8.5,852 1,853 2,855 1,858 15.333,859 9.25,860 6.472,861 2.572,863 3.815,864 1.46,865 1.017,866 4.306,867 12.112,868 3.861,869 4.543,870 5.239,871 5.956,872 6.566,873 7.103,874 7.689,875 8.179,876 8.653,877 9.024,878 0.833,879 56,880 11.091,881 4.94,882 7.956,883 20.554,884 17.136,885 2.456,886 73.667,889 1,890 176.567,891 133.431,892 41.106,894 103.973,897 133.431,898 280.54,899 41.106,900 19.279,901 21.135,902 84.857,903 114.463,904 26.658,905 23.888,906 164.795,908 176.567,909 174.537,910 103.973,913 176.567,914 103.973,917 25.607,918 132.144,919 16.786,921 176.567,922 145.079,923 133.431,926 176.567,927 29.294,928 110.447,929 18.011,930 120.759,931 176.567,932 145.079,933 133.431,935 0.594,936 0.367,937 0.212,938 0.122,939 28,940 13,941 0.059,942 3,943 2,944 1.167,945 3.877,946 304.27,947 0.167,948 24,949 147.207,954 18.725,955 6.899,956 2.816,957 0.43,958 141.894,959 15.968,960 4.608,964 3.348,965 1.831,966 60.694,967 455.077,968 46.5,973 24.631,977 -1.064,980 48.12,981 52.82,983 0.305,984 0.716,985 0.846,986 0.938,987 0.964,988 0.964,989 5.131,990 1.639,991 6.071,992 5.725,993 4.635,994 5.231,995 2.286,996 6.989,997 4.538,998 6.382,999 1.487,1000 7.695,1001 5.106,1002 4.369,1003 5.19,1004 1.305,1005 8.08,1006 4.212,1007 7.729,1008 1.35,1009 9.42,1010 3.947,1011 6.326,1012 7.537,1013 2.764,1014 11.271,1015 6.123,1016 9.115,1017 1.212,1018 11.204,1019 3.396,1020 6.889,1021 8.345,1022 2.473,1023 13.208,1024 6.611,1025 10.536,1026 1.013,1027 13.027,1028 2.942,1029 8.345,1030 10.185,1031 3.533,1032 15.939,1033 8.022,1034 11.982,1035 0.553,1036 14.876,1037 2.495,1038 9.274,1039 11.393,1040 3.63,1041 18.222,1042 8.874,1043 13.45,1044 0.499,1045 16.745,1046 1.375,1047 10.556,1048 13.045,1049 4.46,1050 20.806,1051 10.104,1052 3.467,1053 0.308,1054 18.63,1055 1.129,1056 11.647,1057 14.443,1058 4.762,1059 23.232,1060 11.119,1061 3.118,1062 12.768,1063 20.527,1064 0.609,1065 12.875,1066 16.027,1067 5.464,1068 25.772,1069 12.287,1070 2.745,1071 11.252,1072 22.434,1073 4.834,1074 14.037,1075 17.514,1076 5.873,1077 28.257,1078 13.375,1079 2.599,1080 8.953,1081 24.35,1082 4.018,1083 15.251,1084 19.078,1085 6.504,1086 30.786,1087 14.525,1088 2.31,1089 8.515,1090 26.273,1091 3.736,1092 16.446,1093 20.607,1094 6.97,1095 33.297,1096 15.647,1097 2.139,1098 7.341,1099 28.202,1100 3.418,1101 17.662,1102 22.168,1103 7.562,1104 35.826,1105 16.795,1106 1.893,1107 6.2,1108 30.136,1109 2.946,1110 18.873,1111 23.718,1112 8.059,1113 38.349,1114 17.934,1115 9562,1116 17044,1117 22.6,1118 32.415,1119 53.291,1120 55.146,1121 55.716,1122 52.651,1123 52.663,1124 70.958,1125 8.177,1126 163.507,1127 50.174,1128 5.812,1129 5.859,1130 6.903,1131 5.488,1132 5.467,1133 7.834,1134 3.02,1135 20.557,1136 5.241,1137 15.732,1138 1.567,1139 1.622,1140 1.639,1141 1.549,1142 1.549,1143 2.087,1144 0.24,1145 4.809,1146 1.476,1147 4.224,1148 4.273,1149 4.212,1150 4.051,1151 7.447,1152 4.084,1153 3.879,1154 3.907,1155 3.837,1156 3.789,1157 7.411,1158 3.788,1159 3.856,1160 3.878,1161 3.797,1162 3.754,1163 6.471,1164 3.771,1165 3.61,1166 3.66,1167 3.562,1168 3.369,1169 5.072,1170 3.41,1171 3.249,1172 3.315,1173 3.121,1174 2.973,1175 4.816,1176 2.988,1177 3.217,1178 3.286,1179 3.063,1180 2.957,1181 4.606,1182 2.973,1183 3.083,1184 3.119,1185 3.041,1186 2.855,1187 4.386,1188 2.897,1189 2.932,1190 2.97,1191 2.812,1192 2.746,1193 4.2,1194 2.75,1195 0.143,1196 0.113,1197 0.212,1198 0.129,1199 0.102,1200 4.866,1201 0.142,1202 3.859,1203 0.05,1204 7.211,1205 0.376,1206 4.401,1207 0.095,1208 3.467,1209 4.834,1210 1.713,1211 12.768,1212 3.241,1213 1.945,1214 1.921,1215 2.03,1216 2.055,1217 1.149,1218 2.046,1219 1.859,1220 1.836,1221 1.967,1222 1.979,1223 1.051,1224 1.964,1225 1.716,1226 1.679,1227 1.794,1228 1.935,1229 0.897,1230 1.904,1231 1.455,1232 1.389,1233 1.587,1234 1.726,1235 0.68,1236 1.681,1237 1.346,1238 1.302,1239 1.573,1240 1.545,1241 0.58,1242 1.538,1243 1.197,1244 1.124,1245 1.444,1246 1.508,1247 0.572,1248 1.517,1249 1.098,1250 1.018,1251 1.356,1252 1.406,1253 0.361,1254 1.403,1255 0.883,1256 0.843,1257 1.139,1258 1.15,1259 0.174,1260 1.131,1261 4.234,1263 5.609,1264 3.045,1265 7.188,1266 5.533,1267 8.864,1268 7.766,1269 10.596,1271 3.126,1276 9.995,1278 2.317,1279 5.543,1282 1.296,1289 32.127,1290 79.731,1291 187.027,1292 220.801,1293 244.801,1294 251.556,1295 251.556,1296 52.219,1297 8.297,1298 106.55,1299 106.55,1300 28,1301 13.144,1302 4.585,1303 3.755,1304 41.046,1305 96,1306 97,1307 0.209,1308 192.998,1309 327.58,1310 462.674,1311 42290,1313 20.991,1314 0.7,1315 0.539,1316 20.991,1317 16.157,1318 14.49,1319 0.426,1320 0.269,1321 8.957,1322 13.751,1323 8.754,1324 7.252,1325 14.49,1326 9.149,1327 13.479,1328 0.264,1329 0.134,1330 13.479,1331 6.844,1332 12.159,1333 0.162,1334 0.068,1335 12.159,1336 5.092,1337 10.863,1338 0.099,1339 0.033,1340 10.863,1341 3.679,1342 9.149,1343 0.061,1344 0.017,1345 9.149,1346 2.571,1347 0.31,1348 92.266,1349 0.21,1350 27.18,1351 0.635,1352 170,1353 552.27,1354 192.149,1355 526.82,1356 728.66,1357 492,1358 211,1359 554.187,1360 235.18,1361 557.222,1362 831.02,1363 523,1364 6.553}
{0 CHEMBL575943,1 1.765,2 9.938,3 3.767,4 14.187,5 113.236,6 9.009,7 0.583,8 4.04,9 4.138,10 3.764,11 3.529,12 5.324,13 3.575,14 4.543,15 4.676,16 4.179,17 3.939,18 5.914,19 3.979,20 4.722,21 4.856,22 4.294,23 4.079,24 6.032,25 4.116,26 4.856,27 5.004,28 4.311,29 4.109,30 6.285,31 4.143,32 4.86,33 5.038,34 4.24,35 4.138,36 6.064,37 4.137,38 4.825,39 4.998,40 4.19,41 4.155,42 5.989,43 4.135,44 4.849,45 5.02,46 4.2,47 4.132,48 6.08,49 4.117,50 4.871,51 5.037,52 4.159,53 4.044,54 6.21,55 4.037,56 0.254,57 0.786,58 6.296,59 3.601,60 9.454,61 3.795,62 0.652,63 1.241,64 13.753,65 6.116,66 55.082,67 6.654,68 0.616,69 1.451,70 16,71 7.418,72 43.632,73 7.975,74 0.979,75 1.57,76 20.606,77 7.897,78 103.266,79 8.045,80 0.881,81 1.583,82 22.501,83 8.544,84 66.444,85 9.799,86 0.697,87 1.538,88 20.756,89 9.05,90 57.486,91 10.471,92 0.764,93 1.529,94 21.414,95 9.209,96 50.411,97 10.686,98 0.942,99 1.454,100 22.956,101 9.48,102 79.758,103 10.685,104 41,105 54,106 0.291,107 0.661,108 0.77,109 0.839,110 0.855,111 0.855,112 3.504,113 0.793,114 -4.16,115 -4.1,116 -3.88,118 43.8,123 2,138 8,139 1,140 3,143 1,147 1,148 2,153 1,154 1,157 1,161 2,167 7,170 6,171 5,173 3,178 6,181 3,182 13,184 1,188 3,191 5,192 14,195 1,199 1,203 4,204 11,206 1,211 4,214 2,215 9,220 1,223 7,227 4,228 9,233 3,235 6,239 4,240 10,243 1,245 4,247 2,251 4,252 9,257 1,264 1794,265 21.577,266 21.577,267 21.577,268 21.577,269 21.577,270 18.705,271 24.201,272 12.209,273 22.144,274 17.661,275 17.661,276 17.661,277 17.661,278 17.661,279 13.043,280 26.798,281 5.654,282 18.501,283 3.82,284 1.584,285 0.922,286 0.506,287 0.406,288 0.406,289 4.207,293 1,294 1,295 693,296 3.24,299 105.712,300 239.896,302 86.803,303 107.41,306 143.257,307 1.387,308 44.867,311 0.75,312 0.83,313 0.83,314 0.3,316 0.83,317 1,318 0.65,319 72,320 318,321 4.866,322 3.859,323 7.211,324 4.401,325 3.467,326 4.833,327 2.612,328 12.766,329 3.241,330 4.427,331 3.778,332 6.823,333 4.071,334 3.117,335 4.039,336 1.713,337 11.249,338 2.974,339 4.25,340 3.471,341 6.154,342 3.771,343 2.797,344 3.924,345 1.001,346 8.937,347 2.718,348 4.049,349 3.351,350 6.065,351 3.619,352 2.668,353 3.583,354 0.86,355 8.525,356 2.538,357 3.849,358 2.963,359 5.897,360 3.448,361 2.486,362 3.248,363 0.514,364 8.049,365 2.379,366 3.602,367 2.758,368 5.684,369 3.212,370 2.238,371 2.878,373 7.246,374 2.165,375 3.369,376 2.412,377 5.178,378 2.927,379 1.966,380 2.622,382 5.985,383 1.876,384 3.067,385 2.091,386 5.027,387 2.585,388 1.639,389 2.255,391 5.139,392 1.54,393 3.055,394 1.962,395 4.531,396 2.458,397 1.487,398 2.232,400 4.218,401 1.436,402 2.917,403 1.654,404 4.273,405 2.443,406 1.473,407 2.085,409 3.536,410 1.427,411 2.743,412 1.385,413 3.773,414 2.191,415 1.231,416 1.822,417 3.004,418 1.176,419 2.57,420 1.315,421 3.651,422 2,423 1.012,424 1.566,425 2.652,426 1,427 2.5,428 1.031,429 3.53,430 1.999,431 1,432 1.5,433 2.275,434 0.996,435 1.914,436 1,437 3.414,438 1.494,439 0.556,440 0.69,441 1.382,442 0.509,443 1.869,444 1,445 3.347,446 1.455,447 0.499,448 0.63,449 1.129,450 0.473,451 14.567,452 0.455,453 0.943,454 0.029,455 48,456 1.5,457 25,458 0.781,459 23,460 0.719,461 22.944,462 0.717,463 33.433,464 0.697,465 41.834,466 1.307,467 9.778,468 0.306,469 5.623,470 0.176,471 0.16,473 0.453,478 0.62,479 1.436,480 0.594,481 1.06,482 0.512,483 0.869,484 0.649,485 0.9,486 0.644,487 0.767,488 0.457,489 0.717,490 0.836,491 1.261,492 0.778,493 1.076,494 0.721,495 0.944,496 1.091,497 1.075,498 1.047,499 0.958,500 0.954,501 0.97,502 0.852,503 0.942,504 0.98,505 0.886,506 0.704,507 0.938,508 0.755,509 1.011,510 0.964,511 1.037,512 0.57,513 1.051,514 0.767,515 1.026,516 0.983,517 1.116,518 0.618,519 1.113,520 0.957,521 1.138,522 1.089,523 1.272,524 0.979,525 1.245,526 6,527 0.219,528 4.444,529 3.076,530 2.63,531 1.703,532 1.019,533 0.823,534 0.661,535 0.415,536 12233,537 43462,538 2.097,539 33.3,541 14,542 1,544 1,549 1.755,550 1.92,551 3.244,552 -0.248,554 1,558 84.72,559 1.765,560 4.001,561 4.663,562 5.079,563 5.179,564 5.179,565 2.721,566 4.75,567 4.967,568 3.431,569 1701.8,570 8.747,571 23381.5,573 1,575 1,576 268.078,577 1.505,578 4.912,579 0.167,580 0.01,581 0.082,582 0.051,583 0.045,584 0.03,585 0.019,586 0.016,587 0.014,588 0.012,589 0.446,590 0.33,591 0.88,592 0.859,593 163.042,594 0.037,595 -0.271,596 0.062,597 -0.101,598 -0.035,599 -0.039,600 0.155,601 0.218,602 0.144,603 0.182,604 0.139,605 0.155,606 -0.041,607 -0.177,608 0.024,609 -0.112,610 -0.022,611 -0.048,612 -0.117,613 -0.014,614 -0.164,615 -0.025,616 -0.017,617 -0.086,618 -0.052,619 0.099,620 -0.06,621 0.081,622 -0.051,623 0.031,624 -0.056,625 0.007,626 -0.072,627 -0.028,628 -0.023,629 -0.043,630 0.001,631 -0.023,632 -0.067,633 -0.112,634 0.004,635 -0.108,636 0.011,637 -0.196,638 -0.106,639 -0.265,640 -0.048,641 -0.237,642 2.469,643 5.625,644 0.75,645 30.059,646 1.035,647 1.127,648 2.925,649 8.557,650 0.69,651 3.611,652 4.007,653 4.382,654 4.736,655 5.05,656 5.308,657 5.568,658 5.787,659 5.981,660 6.091,661 6.077,662 0.695,663 432.43,664 3.611,665 5.198,666 6.103,667 7.031,668 7.96,669 8.9,670 9.841,671 10.789,672 11.737,673 12.69,674 12.5,681 2,682 2,684 1,685 1,689 1,690 9,691 1,695 7,696 1,697 21,710 1,714 1,716 48,718 25,719 2,720 36,722 52,723 21,724 17,725 4,726 8,727 1,728 5,729 8,731 1,740 19,741 2,744 4,746 1,749 4,753 2,757 1,760 16,761 8,762 1,763 11,766 2,769 6,772 1,775 0.6,776 5,793 2,794 3,796 1,797 1,800 1,819 3,823 2,827 32,834 1,835 1,838 1,850 10.4,853 2,855 1,856 2,858 16.667,859 9.583,860 6.917,861 2.639,863 4.007,864 1.475,865 1.022,866 4.729,867 12.45,868 3.942,869 4.625,870 5.301,871 5.996,872 6.604,873 7.159,874 7.745,875 8.222,876 8.74,877 9.151,878 0.857,879 60,880 11.824,881 5.287,882 8.115,883 21.609,884 17.902,885 2.615,886 83.667,889 1,890 176.567,891 136.188,892 46.776,894 112.037,897 136.188,898 288.603,899 46.776,900 24.949,901 21.135,902 84.857,903 71.78,904 29.414,905 23.888,906 164.795,907 50.747,908 176.567,909 182.964,910 112.037,913 176.567,914 61.29,915 50.747,917 25.607,918 134.901,919 22.456,921 176.567,922 158.813,923 136.188,926 176.567,927 32.051,928 116.117,929 18.011,930 128.822,931 176.567,932 158.813,933 136.188,935 0.596,936 0.369,937 0.204,938 0.115,939 29,940 14,941 0.077,942 4,943 2,944 1.167,945 4.035,946 328.047,947 0.167,948 24,949 152,954 20.24,955 7.477,956 3.093,957 0.379,958 149.957,959 15.051,960 4.585,964 2.902,965 1.782,966 18.011,967 471.567,968 50.5,970 -0.469,973 46.818,977 -1.134,980 49.665,981 54.113,983 0.316,984 0.716,985 0.835,986 0.909,987 0.927,988 0.927,989 5.211,990 1.639,991 6.129,992 5.985,993 4.691,994 5.313,995 3.046,996 7.045,997 4.6,998 6.466,999 1.487,1000 7.756,1001 5.139,1002 4.443,1003 5.316,1004 2.587,1005 8.141,1006 4.297,1007 7.817,1008 1.473,1009 9.483,1010 4.218,1011 6.385,1012 7.627,1013 4.364,1014 11.315,1015 6.19,1016 9.207,1017 1.231,1018 11.267,1019 3.536,1020 6.957,1021 8.464,1022 4.62,1023 13.246,1024 6.694,1025 10.629,1026 1.012,1027 13.089,1028 3.004,1029 8.403,1030 10.276,1031 6.031,1032 15.965,1033 8.091,1034 12.076,1035 1,1036 14.936,1037 2.652,1038 9.331,1039 11.492,1040 6.607,1041 18.241,1042 8.945,1043 13.543,1044 0.556,1045 16.801,1046 2.275,1047 10.606,1048 13.126,1049 7.829,1050 20.819,1051 10.167,1052 3.467,1053 0.499,1054 18.682,1055 1.382,1056 11.692,1057 14.521,1058 8.57,1059 23.241,1060 11.178,1061 3.117,1062 12.766,1063 20.574,1064 1.129,1065 12.913,1066 16.093,1067 9.685,1068 25.777,1069 12.339,1070 2.797,1071 11.249,1072 22.477,1073 4.833,1074 14.07,1075 17.573,1076 10.518,1077 28.26,1078 13.421,1079 2.668,1080 8.937,1081 24.388,1082 4.039,1083 15.279,1084 19.129,1085 11.57,1086 30.787,1087 14.565,1088 2.486,1089 8.525,1090 26.306,1091 3.924,1092 16.469,1093 20.651,1094 12.456,1095 33.297,1096 15.682,1097 2.238,1098 8.049,1099 28.231,1100 3.583,1101 17.681,1102 22.205,1103 13.47,1104 35.825,1105 16.825,1106 1.966,1107 7.246,1108 30.161,1109 3.248,1110 18.888,1111 23.749,1112 14.388,1113 38.348,1114 17.96,1115 11688,1116 22186,1117 23.698,1118 33.114,1119 56.408,1120 59.275,1121 59.114,1122 55.842,1123 55.891,1124 76.616,1125 13.401,1126 173.403,1127 53.463,1128 5.812,1129 5.859,1130 6.903,1131 5.488,1132 5.467,1133 7.833,1134 4.612,1135 20.554,1136 5.241,1137 18.327,1138 1.567,1139 1.647,1140 1.642,1141 1.551,1142 1.553,1143 2.128,1144 0.372,1145 4.817,1146 1.485,1147 4.227,1148 4.275,1149 4.214,1150 4.055,1151 7.815,1152 4.087,1153 3.951,1154 3.98,1155 3.921,1156 3.812,1157 7.447,1158 3.824,1159 3.868,1160 3.894,1161 3.82,1162 3.759,1163 7.411,1164 3.773,1165 3.646,1166 3.689,1167 3.609,1168 3.386,1169 6.999,1170 3.433,1171 3.441,1172 3.468,1173 3.409,1174 3.045,1175 5.075,1176 3.13,1177 3.249,1178 3.315,1179 3.118,1180 2.97,1181 4.816,1182 2.982,1183 3.214,1184 3.283,1185 3.063,1186 2.925,1187 4.667,1188 2.958,1189 3.024,1190 3.061,1191 2.982,1192 2.767,1193 4.386,1194 2.816,1195 0.135,1196 0.107,1197 0.2,1198 0.122,1199 0.096,1200 4.866,1201 0.134,1202 3.859,1203 0.073,1204 7.211,1205 0.355,1206 4.401,1207 0.09,1208 3.467,1209 4.833,1210 2.612,1211 12.766,1212 3.241,1213 1.96,1214 1.935,1215 2.042,1216 2.099,1217 1.161,1218 2.071,1219 1.874,1220 1.85,1221 1.976,1222 2.011,1223 1.063,1224 1.992,1225 1.72,1226 1.682,1227 1.795,1228 1.965,1229 0.9,1230 1.913,1231 1.456,1232 1.39,1233 1.59,1234 1.732,1235 0.682,1236 1.684,1237 1.4,1238 1.363,1239 1.573,1240 1.705,1241 0.591,1242 1.627,1243 1.197,1244 1.124,1245 1.46,1246 1.513,1247 0.573,1248 1.532,1249 1.121,1250 1.061,1251 1.359,1252 1.451,1253 0.362,1254 1.428,1255 1.047,1256 0.99,1257 1.181,1258 1.397,1259 0.218,1260 1.367,1261 4.29,1263 5.666,1264 3.045,1265 7.244,1266 5.533,1267 8.916,1268 7.766,1269 10.642,1271 3.069,1278 2.293,1279 5.53,1282 1.266,1289 33.336,1290 84.72,1291 192.039,1292 223.814,1293 243.814,1294 248.568,1295 248.568,1296 63.03,1297 8.443,1298 132.14,1299 132.14,1300 28,1301 13.178,1302 4.7,1303 3.954,1304 45.231,1305 111,1306 135,1307 0.197,1308 200.861,1309 344.73,1310 481.86,1311 50862,1313 22.568,1314 0.705,1315 0.53,1316 22.568,1317 16.973,1318 15.401,1319 0.428,1320 0.264,1321 9.294,1322 14.484,1323 9.106,1324 7.538,1325 15.401,1326 9.515,1327 14.366,1328 0.266,1329 0.131,1330 14.366,1331 7.098,1332 12.941,1333 0.164,1334 0.067,1335 12.941,1336 5.324,1337 11.233,1338 0.099,1339 0.033,1340 11.233,1341 3.768,1342 9.376,1343 0.06,1344 0.017,1345 9.376,1346 2.637,1347 0.296,1348 99.051,1349 0.205,1350 28.924,1351 0.584,1352 180,1353 643.236,1354 206.222,1355 608.556,1356 827.54,1357 564,1358 223,1359 626.521,1360 251.338,1361 622.923,1362 922.67,1363 583,1364 4.699}
{0 CHEMBL575944,1 1.674,2 9.839,3 3.751,4 14.07,5 111.649,6 8.775,7 0.6,8 4.003,9 4.104,10 3.714,11 3.541,12 5.262,13 3.573,14 4.505,15 4.646,16 4.122,17 3.944,18 5.736,19 3.966,20 4.69,21 4.828,22 4.247,23 4.087,24 5.96,25 4.104,26 4.806,27 4.963,28 4.263,29 4.107,30 6.195,31 4.122,32 4.825,33 5.01,34 4.212,35 4.136,36 5.995,37 4.125,38 4.81,39 4.986,40 4.162,41 4.16,42 5.96,43 4.132,44 4.818,45 4.994,46 4.142,47 4.143,48 6.012,49 4.11,50 4.817,51 4.995,52 4.068,53 4.053,54 6.112,55 4.017,56 0.113,57 0.752,58 6.419,59 3.556,60 8.341,61 3.779,62 0.477,63 1.212,64 13.801,65 5.97,66 23.466,67 6.674,68 0.436,69 1.419,70 16.194,71 7.389,72 33.006,73 8.184,74 0.725,75 1.565,76 19.925,77 7.639,78 83.742,79 8.174,80 0.652,81 1.587,82 22.007,83 8.271,84 40.734,85 9.743,86 0.505,87 1.522,88 21.198,89 8.981,90 43.414,91 10.406,92 0.5,93 1.511,94 21.415,95 9.261,96 38.856,97 10.809,98 0.623,99 1.446,100 22.335,101 9.368,102 57.122,103 10.817,104 30,105 52,106 0.278,107 0.667,108 0.781,109 0.852,110 0.859,111 0.859,112 3.473,113 0.806,114 -3.66,115 -3.63,116 -3.45,118 46.8,123 2,138 8,139 2,140 2,143 1,147 1,148 2,153 2,154 1,157 1,167 9,170 5,171 4,173 3,178 8,181 3,182 9,184 1,188 4,191 5,192 11,195 1,199 1,203 4,204 11,206 1,211 4,214 1,215 10,220 1,223 7,227 2,228 10,233 3,235 7,239 2,240 10,243 1,245 4,247 4,251 2,252 8,257 2,260 1,264 1630,265 21.24,266 21.24,267 21.24,268 21.24,269 21.24,270 18.581,271 22.573,272 12.072,273 21.761,274 17.12,275 17.12,276 17.12,277 17.12,278 17.12,279 12.712,280 23.998,281 5.534,282 17.902,283 3.88,284 1.533,285 0.841,286 0.415,287 0.373,288 0.373,289 4.179,293 1,294 1,295 668,296 2.915,299 100.097,300 228.876,302 82.188,303 101.679,306 135.702,307 1.349,308 35.013,311 1,312 0.83,313 1,314 0.4,316 1,317 1,318 0.75,319 68,320 305,321 4.866,322 4.057,323 7.211,324 4.401,325 3.467,326 4.833,327 2.035,328 12.766,329 3.241,330 4.424,331 3.859,332 6.822,333 4.07,334 3.116,335 4.017,336 1.713,337 11.249,338 2.973,339 4.14,340 3.472,341 6.152,342 3.714,343 2.739,344 3.749,345 1.001,346 8.925,347 2.674,348 3.996,349 3.351,350 6.051,351 3.558,352 2.603,353 3.46,354 0.86,355 8.472,356 2.476,357 3.784,358 2.964,359 5.7,360 3.347,361 2.368,362 3.07,363 0.514,364 7.326,365 2.309,366 3.59,367 2.772,368 5.306,369 3.183,370 2.207,371 2.852,373 6.717,374 2.141,375 3.351,376 2.496,377 5.168,378 2.901,379 1.94,380 2.545,382 5.956,383 1.852,384 3.067,385 2.219,386 5.016,387 2.585,388 1.639,389 2.255,391 5.131,392 1.54,393 3.044,394 2.072,395 4.498,396 2.458,397 1.487,398 2.085,400 4.089,401 1.436,402 2.917,403 1.657,404 4.248,405 2.299,406 1.349,407 1.95,409 3.453,410 1.277,411 2.753,412 1.407,413 3.679,414 2.121,415 1.148,416 1.7,417 2.943,418 1.112,419 2.587,420 1.338,421 3.537,422 2,423 1,424 1.5,425 2.275,426 1,427 2.5,428 1.055,429 3.414,430 1.528,431 0.589,432 0.979,433 1.415,434 0.547,435 1.914,436 1,437 3.347,438 1.466,439 0.503,440 0.674,441 1.13,442 0.474,443 1.871,444 0.94,445 2.944,446 1.398,447 0.461,448 0.63,449 0.734,450 0.431,451 14.4,452 0.465,453 0.816,454 0.026,455 47,456 1.516,457 25,458 0.806,459 22,460 0.71,461 22.18,462 0.715,463 31.2,464 0.664,465 39.232,466 1.266,467 9.467,468 0.305,469 5.562,470 0.179,471 0.144,473 0.431,478 0.787,479 1.421,480 0.626,481 1.058,482 0.515,483 0.851,484 0.749,485 0.827,486 0.678,487 0.721,488 0.517,489 0.694,490 0.897,491 1.22,492 0.799,493 1.05,494 0.829,495 0.937,496 1.097,497 1.087,498 1.029,499 0.962,500 0.968,501 0.965,502 0.881,503 0.921,504 0.967,505 0.87,506 0.685,507 0.906,508 0.935,509 0.996,510 1.005,511 1.008,512 0.695,513 1.015,514 0.911,515 1,516 1.026,517 1.102,518 0.708,519 1.093,520 1.027,521 1.095,522 1.123,523 1.235,524 1.022,525 1.218,526 5.5,527 0.14,528 4,529 2.826,530 2.59,531 1.64,532 0.978,533 0.823,534 0.581,535 0.345,536 11206,537 35901,538 2.12,539 34,541 14,542 1,544 1,549 1.747,550 1.958,551 3.207,552 -0.297,554 1,558 78.694,559 1.674,560 4.022,561 4.714,562 5.139,563 5.182,564 5.182,565 2.69,566 4.543,567 4.921,568 3.372,569 1567.9,570 8.659,571 21015.4,573 1,575 1,576 261.066,577 1.476,578 4.875,579 0.157,580 0.009,581 0.077,582 0.049,583 0.045,584 0.03,585 0.018,586 0.016,587 0.013,588 0.011,589 0.425,590 0.5,591 0.88,592 0.839,593 155.943,594 -0.083,595 -0.322,596 0.055,597 -0.138,598 -0.033,599 -0.037,600 0.152,601 0.261,602 0.138,603 0.2,604 0.038,605 0.161,606 0.011,607 -0.176,608 0.03,609 -0.11,610 -0.038,611 -0.059,612 -0.016,613 -0.023,614 -0.132,615 -0.051,616 0.041,617 -0.102,618 0.002,619 0.121,620 -0.032,621 0.072,622 -0.023,623 0.034,624 -0.103,625 -0.012,626 -0.086,627 -0.019,628 -0.044,629 -0.037,630 -0.057,631 -0.034,632 -0.092,633 -0.104,634 -0.014,635 -0.102,636 0.004,637 -0.166,638 -0.132,639 -0.229,640 -0.02,641 -0.217,642 2.2,643 5.627,644 0.774,645 28.175,646 1.022,647 1.121,648 2.429,649 5.901,650 0.706,651 3.584,652 3.97,653 4.357,654 4.718,655 5.037,656 5.288,657 5.545,658 5.768,659 5.951,660 6.045,661 5.869,662 0.7,663 412.44,664 3.584,665 5.165,666 6.071,667 6.999,668 7.929,669 8.87,670 9.813,671 10.762,672 11.712,673 12.666,674 12.8,681 2,682 2,683 1,684 1,689 1,690 9,691 1,695 7,696 1,697 21,699 1,714 1,716 47,718 24,719 2,720 35,722 51,723 22,724 17,725 4,726 8,727 1,728 5,729 8,731 1,739 1,740 19,741 2,744 2,749 2,753 2,757 1,760 16,761 7,762 1,763 9,766 2,769 6,772 1,775 0.6,776 3,793 2,794 3,796 1,797 1,800 1,819 3,823 2,827 31,834 1,835 1,838 1,842 1,846 1,848 1,850 6.4,853 2,855 1,858 15.833,859 9.5,860 6.806,861 2.635,863 4.001,864 1.478,865 1.033,866 4.457,867 12.374,868 3.922,869 4.575,870 5.286,871 5.985,872 6.594,873 7.145,874 7.729,875 8.211,876 8.72,877 9.12,878 0.857,879 58,880 11.424,881 5.043,882 7.957,883 21.186,884 17.568,885 2.457,886 76.167,889 1,890 176.567,891 153.218,892 72.166,894 61.29,897 153.218,898 237.856,899 72.166,900 19.279,901 21.135,902 84.857,903 88.382,904 60.903,905 23.888,906 164.795,908 176.567,909 225.384,910 61.29,913 176.567,914 61.29,917 56.666,918 151.932,919 16.786,921 176.567,922 133.455,923 153.218,926 176.567,927 32.48,928 110.447,929 34.612,930 109.135,931 176.567,932 133.455,933 153.218,935 0.589,936 0.371,937 0.209,938 0.119,939 28,940 13,941 0.059,942 3,943 2,944 1.167,945 3.978,946 314.936,947 0.167,948 24,949 149.58,954 19.225,955 7.187,956 2.876,957 0.45,958 130.27,959 16.372,960 4.629,964 3.984,965 1.865,966 18.011,967 463.24,968 49.5,973 24.689,977 -1.052,980 48.011,981 52.694,983 0.301,984 0.724,985 0.849,986 0.925,987 0.933,988 0.933,989 5.194,990 1.639,991 6.089,992 5.956,993 4.654,994 5.263,995 2.897,996 7.004,997 4.565,998 6.446,999 1.487,1000 7.712,1001 5.131,1002 4.369,1003 5.19,1004 1.305,1005 8.097,1006 4.229,1007 7.79,1008 1.349,1009 9.436,1010 4.089,1011 6.344,1012 7.566,1013 3.915,1014 11.279,1015 6.155,1016 9.172,1017 1.148,1018 11.219,1019 3.453,1020 6.899,1021 8.361,1022 2.473,1023 13.215,1024 6.64,1025 10.589,1026 1,1027 13.039,1028 2.943,1029 8.358,1030 10.207,1031 5.171,1032 15.94,1033 8.052,1034 12.031,1035 0.589,1036 14.887,1037 2.275,1038 9.282,1039 11.407,1040 3.63,1041 18.222,1042 8.899,1043 13.494,1044 0.503,1045 16.754,1046 1.415,1047 10.564,1048 13.059,1049 6.513,1050 20.805,1051 10.128,1052 3.467,1053 0.461,1054 18.637,1055 1.13,1056 11.652,1057 14.452,1058 4.762,1059 23.231,1060 11.138,1061 3.116,1062 12.766,1063 20.533,1064 0.734,1065 12.878,1066 16.036,1067 7.889,1068 25.77,1069 12.303,1070 2.739,1071 11.249,1072 22.439,1073 4.833,1074 14.038,1075 17.52,1076 5.873,1077 28.255,1078 13.388,1079 2.603,1080 8.925,1081 24.353,1082 4.017,1083 15.252,1084 19.083,1085 9.282,1086 30.783,1087 14.535,1088 2.368,1089 8.472,1090 26.275,1091 3.749,1092 16.445,1093 20.61,1094 6.97,1095 33.295,1096 15.655,1097 2.207,1098 7.326,1099 28.203,1100 3.46,1101 17.66,1102 22.17,1103 10.683,1104 35.823,1105 16.801,1106 1.94,1107 6.717,1108 30.136,1109 3.07,1110 18.871,1111 23.719,1112 8.059,1113 38.347,1114 17.939,1115 10671,1116 19245,1117 23.293,1118 33.205,1119 55.55,1120 58.707,1121 57.102,1122 53.787,1123 53.846,1124 73.395,1125 12.246,1126 166.38,1127 51.526,1128 5.812,1129 6.057,1130 6.903,1131 5.488,1132 5.467,1133 7.833,1134 4.069,1135 20.554,1136 5.241,1137 16.298,1138 1.587,1139 1.677,1140 1.631,1141 1.537,1142 1.538,1143 2.097,1144 0.35,1145 4.754,1146 1.472,1147 4.225,1148 4.273,1149 4.212,1150 4.055,1151 7.447,1152 4.086,1153 3.891,1154 3.921,1155 3.85,1156 3.814,1157 7.411,1158 3.817,1159 3.863,1160 3.888,1161 3.81,1162 3.759,1163 6.82,1164 3.773,1165 3.618,1166 3.668,1167 3.574,1168 3.386,1169 5.075,1170 3.426,1171 3.249,1172 3.315,1173 3.189,1174 3.044,1175 4.816,1176 3.073,1177 3.228,1178 3.291,1179 3.113,1180 2.97,1181 4.666,1182 2.981,1183 3.19,1184 3.24,1185 3.063,1186 2.924,1187 4.386,1188 2.954,1189 2.981,1190 3.027,1191 2.935,1192 2.766,1193 4.202,1194 2.799,1195 0.139,1196 0.116,1197 0.206,1198 0.126,1199 0.099,1200 4.866,1201 0.138,1202 4.057,1203 0.058,1204 7.211,1205 0.365,1206 4.401,1207 0.093,1208 3.467,1209 4.833,1210 2.035,1211 12.766,1212 3.241,1213 1.956,1214 1.932,1215 2.039,1216 2.057,1217 1.157,1218 2.049,1219 1.871,1220 1.847,1221 1.974,1222 1.981,1223 1.059,1224 1.97,1225 1.719,1226 1.681,1227 1.795,1228 1.94,1229 0.899,1230 1.906,1231 1.456,1232 1.39,1233 1.589,1234 1.727,1235 0.681,1236 1.682,1237 1.382,1238 1.342,1239 1.573,1240 1.56,1241 0.584,1242 1.544,1243 1.197,1244 1.124,1245 1.452,1246 1.509,1247 0.573,1248 1.526,1249 1.108,1250 1.032,1251 1.358,1252 1.408,1253 0.36,1254 1.406,1255 0.998,1256 0.944,1257 1.181,1258 1.226,1259 0.218,1260 1.186,1261 4.263,1263 5.631,1264 3.045,1265 7.207,1266 5.533,1267 8.881,1268 7.766,1269 10.609,1271 3.138,1278 2.327,1279 5.562,1282 1.303,1287 9.127,1288 2.113,1289 32.907,1290 78.694,1291 189.027,1292 221.556,1293 241.556,1294 243.556,1295 243.556,1296 53.157,1297 8.373,1298 110.11,1299 110.11,1300 28,1301 13.154,1302 4.644,1303 3.954,1304 43.135,1305 104,1306 140,1307 0.201,1308 199.533,1309 341.81,1310 478.621,1311 46575,1313 21.698,1314 0.7,1315 0.537,1316 21.698,1317 16.657,1318 15.028,1319 0.429,1320 0.269,1321 9.215,1322 14.317,1323 8.994,1324 7.461,1325 15.028,1326 9.399,1327 13.637,1328 0.262,1329 0.134,1330 13.637,1331 6.983,1332 12.651,1333 0.164,1334 0.068,1335 12.651,1336 5.26,1337 11.018,1338 0.099,1339 0.034,1340 11.018,1341 3.729,1342 9.282,1343 0.061,1344 0.017,1345 9.282,1346 2.623,1347 0.301,1348 95.27,1349 0.207,1350 28.114,1351 0.601,1352 174,1353 563.765,1354 194.74,1355 544.323,1356 751.64,1357 508,1358 216,1359 568.565,1360 239.185,1361 574.818,1362 853.43,1363 539,1364 4.699}
{0 CHEMBL575955,1 1.641,2 8.556,3 3.624,4 13.135,5 100.007,6 7.655,7 0.5,8 3.995,9 4.116,10 3.591,11 3.459,12 5.116,13 3.471,14 4.547,15 4.732,16 3.989,17 3.863,18 5.649,19 3.858,20 4.725,21 4.914,22 4.104,23 4,24 5.839,25 3.99,26 4.825,27 5.017,28 4.126,29 4.033,30 6.091,31 4.017,32 4.841,33 5.055,34 4.034,35 4.054,36 5.867,37 4.004,38 4.836,39 5.047,40 3.946,41 4.057,42 5.857,43 3.986,44 4.856,45 5.083,46 3.842,47 4.02,48 5.846,49 3.929,50 4.826,51 5.064,52 3.738,53 3.902,54 5.896,55 3.799,56 0.066,57 0.756,58 9.516,59 3.857,60 6.835,61 5.196,62 0.487,63 1.196,64 19.539,65 6.568,66 27.993,67 9.075,68 0.372,69 1.376,70 23.516,71 8.032,72 31.134,73 11.206,74 0.731,75 1.471,76 26.762,77 7.985,78 82.312,79 11.297,80 0.551,81 1.49,82 27.392,83 8.695,84 34.173,85 12.572,86 0.521,87 1.454,88 27.246,89 9.046,90 42.577,91 12.78,92 0.452,93 1.412,94 28.598,95 9.59,96 45.781,97 13.546,98 0.649,99 1.267,100 29.156,101 9.41,102 66.73,103 13.368,104 32,105 44,106 0.277,107 0.647,108 0.823,109 0.865,110 0.872,111 0.872,112 3.342,113 0.89,114 -4.02,115 -3.97,116 -3.76,118 39.6,119 1,120 2,123 2,124 1,138 4,139 1,140 1,143 1,147 1,148 2,153 1,154 1,157 1,167 6,170 5,171 4,173 3,178 5,181 2,182 5,184 1,188 2,191 6,192 8,195 1,199 1,203 3,204 6,206 1,211 2,214 2,215 9,220 1,223 4,228 6,233 2,235 4,239 2,240 9,243 1,245 3,247 3,252 5,257 2,260 1,264 1010,265 18.43,266 18.43,267 18.43,268 18.43,269 18.43,270 16.524,271 19.436,272 10.724,273 18.951,274 14.692,275 14.692,276 14.692,277 14.692,278 14.692,279 11.473,280 20.65,281 4.925,282 15.454,283 3.944,284 1.754,285 0.714,286 0.464,287 0.422,288 0.422,289 4.034,292 1,293 1,294 1,295 495,296 3.082,299 85.695,300 134.789,302 70.419,303 86.151,306 115.808,307 1.383,308 28.427,310 1,311 1,312 1,313 1,314 0.8,315 0.5,316 1,317 1,318 0.9,319 59.5,320 231,321 4.837,322 3.857,323 7.144,324 4.373,325 3.438,326 4.801,327 1.713,328 12.492,329 3.22,330 4.394,331 3.438,332 6.734,333 4.043,334 3.082,335 3.99,336 1.001,337 10.941,338 2.961,339 4.062,340 3.294,341 6.235,342 3.659,343 2.716,344 3.539,345 0.86,346 9.13,347 2.548,348 3.685,349 2.996,350 5.907,351 3.336,352 2.374,353 2.943,354 0.514,355 7.879,356 2.274,357 3.45,358 2.651,359 5.32,360 3.051,361 2.088,362 2.71,364 6.327,365 1.995,366 3.112,367 2.112,368 5.125,369 2.727,370 1.77,371 2.301,373 5.536,374 1.692,375 3.06,376 1.976,377 4.881,378 2.642,379 1.679,380 2.218,382 5.014,383 1.606,384 2.917,385 1.604,386 4.224,387 2.46,388 1.49,389 2.085,391 3.488,392 1.437,393 2.634,394 1.491,395 3.812,396 2.346,397 1.383,398 1.671,400 3.063,401 1.324,402 2.469,403 1.224,404 3.589,405 2.075,406 1.103,407 1.458,409 2.605,410 1.069,411 1.979,412 1.09,413 3.381,414 1.624,415 0.674,416 0.826,417 1.628,418 0.637,419 1.893,420 0.94,421 3.344,422 1.494,423 0.498,424 0.638,425 1.19,426 0.488,427 1.642,428 0.856,429 2.868,430 1.331,431 0.451,432 0.52,433 0.713,434 0.393,435 1.273,436 0.712,437 2.692,438 1.059,439 0.091,440 0.106,441 0.17,442 0.088,443 1,444 0.157,445 2.511,446 0.555,447 -0.415,448 -0.486,449 -0.881,450 -0.392,451 12.5,452 0.463,453 0.696,454 0.026,455 35.25,456 1.306,457 16,458 0.593,459 19.25,460 0.713,461 22.694,462 0.841,463 29.5,464 0.615,465 27.863,466 1.032,467 6.916,468 0.256,469 6.146,470 0.228,471 0.173,473 0.416,478 0.786,479 1.66,480 0.734,481 1.249,482 0.547,483 1.016,484 0.744,485 0.882,486 0.729,487 0.787,488 0.525,489 0.759,490 0.878,491 1.218,492 0.741,493 1.014,494 0.849,495 0.875,496 1.012,497 1.056,498 0.98,499 0.946,500 0.915,501 0.945,502 0.864,503 1.069,504 0.989,505 1.013,506 0.667,507 1.012,508 0.959,509 1.043,510 1.113,511 1.069,512 0.798,513 1.104,514 0.995,515 1.059,516 1.129,517 1.149,518 0.877,519 1.157,520 0.951,521 0.974,522 1.071,523 1.093,524 1.072,525 1.11,526 4.5,527 0.066,528 3.556,529 2.799,530 2.168,531 1.404,532 0.807,533 0.608,534 0.401,535 0.223,536 7481,537 20717,538 2.075,539 43.8,540 5,541 12,542 1,544 1,546 2,549 1.71,550 1.906,551 3.076,552 -0.272,554 1,558 78.764,559 1.641,560 3.831,561 4.871,562 5.121,563 5.163,564 5.163,565 2.541,566 4.533,567 4.723,568 3.245,569 1139.14,570 8.253,571 13973.1,573 1,575 1,576 268.078,577 1.506,578 4.668,579 0.15,580 0.008,581 0.081,582 0.057,583 0.045,584 0.032,585 0.02,586 0.017,587 0.013,588 0.011,589 0.435,590 0.33,591 1,592 1.257,593 129.854,594 -0.054,595 -0.419,596 0.072,597 -0.181,598 -0.036,599 -0.055,600 0.186,601 0.258,602 0.187,603 0.192,604 0.092,605 0.179,606 0.033,607 -0.142,608 0.182,609 -0.008,610 0.018,611 0.094,612 0.091,613 0.037,614 -0.025,615 -0.001,616 0.16,617 -0.03,618 0.004,619 -0.003,620 -0.051,621 -0.041,622 -0.008,623 -0.052,624 -0.095,625 0.005,626 -0.181,627 -0.076,628 -0.063,629 -0.13,630 -0.138,631 -0.071,632 -0.177,633 -0.148,634 -0.073,635 -0.16,636 0.052,637 -0.061,638 -0.072,639 -0.101,640 -0.013,641 -0.109,642 2.14,643 5.457,644 0.667,645 22.719,646 1.012,647 1.134,648 2.792,649 7.796,650 0.656,651 3.434,652 3.807,653 4.19,654 4.554,655 4.844,656 5.081,657 5.303,658 5.472,659 5.591,660 5.617,661 5.426,662 0.635,663 367.45,664 3.434,665 5.004,666 5.905,667 6.832,668 7.762,669 8.703,670 9.644,671 10.592,672 11.539,673 12.491,674 10.4,681 2,682 2,684 1,689 1,690 5,691 1,695 5,696 1,697 15,714 1,716 48,718 17,719 1,720 30,722 51,723 19,724 11,725 2,726 4,727 1,728 4,729 7,731 1,732 1,738 2,740 13,741 6,744 2,749 2,753 2,756 1,757 1,760 21,761 6,762 1,763 8,766 2,769 5,772 1,775 0.5,776 3,793 2,794 2,796 1,797 1,800 1,819 2,823 3,827 27,833 3,834 1,835 1,838 1,850 6.3,853 2,855 1,858 14.167,859 9.717,860 6.028,861 3.017,863 3.094,864 1.393,865 0.998,866 4.598,867 10.963,868 3.701,869 4.35,870 5.045,871 5.75,872 6.315,873 6.846,874 7.374,875 7.765,876 8.17,877 8.454,878 0.833,879 49,880 10.005,881 4.327,882 7.827,883 18.925,884 15.569,885 2.327,886 62.833,889 1,890 235.422,891 108.769,892 41.106,894 61.29,897 108.769,898 296.712,899 41.106,900 28.105,901 28.31,902 46.952,903 71.78,904 23.901,905 23.888,906 223.651,908 235.422,909 149.875,910 61.29,913 211.88,914 84.832,917 41.607,918 91.483,919 16.786,921 235.422,922 102.396,923 108.769,926 235.422,927 33.712,928 81.367,929 18.011,930 78.075,931 235.422,932 102.396,933 108.769,935 0.581,936 0.364,937 0.212,938 0.123,939 23,940 11,941 0.098,942 5,943 2,944 1.222,945 3.657,946 251.823,947 0.222,948 18,949 128.382,954 17.922,955 6.926,956 2.79,957 0.631,958 99.21,959 9.648,960 4.619,964 3.324,965 2.075,966 18.011,967 446.587,968 39.5,973 24.374,977 -0.918,980 48.56,981 54.441,983 0.294,984 0.686,985 0.872,986 0.917,987 0.924,988 0.924,989 4.968,990 1.49,991 5.922,992 5.014,993 4.489,994 5.037,995 2.286,996 6.841,997 4.388,998 6.204,999 1.383,1000 7.547,1001 3.488,1002 4.205,1003 5.027,1004 1.305,1005 7.941,1006 4.048,1007 7.55,1008 1.103,1009 9.276,1010 3.063,1011 6.176,1012 7.34,1013 2.764,1014 11.13,1015 5.963,1016 8.938,1017 0.674,1018 11.065,1019 2.605,1020 6.746,1021 8.205,1022 2.473,1023 13.064,1024 6.467,1025 10.365,1026 0.498,1027 12.892,1028 1.628,1029 8.203,1030 10.015,1031 3.533,1032 15.784,1033 7.872,1034 11.818,1035 0.451,1036 14.744,1037 1.19,1038 9.143,1039 11.268,1040 3.63,1041 18.05,1042 8.743,1043 13.292,1044 0.091,1045 16.615,1046 0.713,1047 10.425,1048 12.905,1049 4.46,1050 20.62,1051 9.97,1052 3.438,1053 -0.415,1054 18.499,1055 0.17,1056 11.521,1057 14.328,1058 4.762,1059 23.023,1060 10.998,1061 3.082,1062 12.492,1063 20.395,1064 -0.881,1065 12.746,1066 15.905,1067 5.464,1068 25.545,1069 12.164,1070 2.716,1071 10.941,1072 22.299,1073 4.801,1074 13.909,1075 17.404,1076 5.873,1077 28.006,1078 13.26,1079 2.374,1080 9.13,1081 24.21,1082 3.99,1083 15.12,1084 18.964,1085 6.504,1086 30.515,1087 14.409,1088 2.088,1089 7.879,1090 26.128,1091 3.539,1092 16.311,1093 20.496,1094 6.97,1095 33.003,1096 15.533,1097 1.77,1098 6.327,1099 28.051,1100 2.943,1101 17.522,1102 22.054,1103 7.562,1104 35.511,1105 16.679,1106 1.679,1107 5.536,1108 29.978,1109 2.71,1110 18.727,1111 23.602,1112 8.059,1113 38.012,1114 17.818,1115 7323,1116 12379,1117 19.709,1118 31.483,1119 46.033,1120 48.155,1121 48.99,1122 45.652,1123 45.677,1124 59.611,1125 8.177,1126 140.353,1127 43.467,1128 5.783,1129 5.857,1130 7.003,1131 5.46,1132 5.438,1133 7.801,1134 3.02,1135 20.286,1136 5.22,1137 14.809,1138 1.534,1139 1.605,1140 1.633,1141 1.522,1142 1.523,1143 1.987,1144 0.273,1145 4.678,1146 1.449,1147 4.214,1148 4.266,1149 4.198,1150 4.03,1151 7.447,1152 4.064,1153 3.877,1154 3.902,1155 3.83,1156 3.775,1157 7.411,1158 3.786,1159 3.7,1160 3.759,1161 3.621,1162 3.527,1163 5.055,1164 3.527,1165 3.576,1166 3.643,1167 3.424,1168 3.359,1169 4.827,1170 3.381,1171 3.249,1172 3.315,1173 3.123,1174 2.984,1175 4.391,1176 2.999,1177 3.229,1178 3.302,1179 3.064,1180 2.966,1181 4.257,1182 2.977,1183 3.141,1184 3.225,1185 3.037,1186 2.867,1187 4.114,1188 2.896,1189 3.002,1190 3.057,1191 2.825,1192 2.847,1193 3.873,1194 2.838,1195 0.161,1196 0.129,1197 0.238,1198 0.146,1199 0.115,1200 4.837,1201 0.16,1202 3.857,1203 0.057,1204 7.144,1205 0.416,1206 4.373,1207 0.107,1208 3.438,1209 4.801,1210 1.713,1211 12.492,1212 3.22,1213 1.921,1214 1.898,1215 2.025,1216 2.032,1217 1.287,1218 2.028,1219 1.725,1220 1.679,1221 1.961,1222 1.96,1223 1.11,1224 1.929,1225 1.715,1226 1.657,1227 1.795,1228 1.906,1229 0.9,1230 1.903,1231 1.467,1232 1.394,1233 1.645,1234 1.731,1235 0.825,1236 1.707,1237 1.386,1238 1.326,1239 1.587,1240 1.603,1241 0.678,1242 1.606,1243 1.197,1244 1.124,1245 1.572,1246 1.511,1247 0.574,1248 1.532,1249 1.101,1250 1.023,1251 1.361,1252 1.406,1253 0.463,1254 1.403,1255 1.007,1256 0.914,1257 1.295,1258 1.256,1259 0.356,1260 1.285,1261 4.111,1263 5.468,1264 3.045,1265 7.034,1266 5.533,1267 8.706,1268 7.758,1269 10.436,1271 5.365,1277 2.732,1278 2.351,1279 5.521,1282 1.358,1289 30.466,1290 78.764,1291 183.865,1292 233.814,1293 245.814,1294 247.814,1295 247.814,1296 46.445,1297 7.869,1298 86.32,1299 86.32,1300 22,1301 12.98,1302 4.17,1303 3.392,1304 39.792,1305 88,1306 88,1307 0.232,1308 185.992,1309 315.37,1310 445.581,1311 25110,1313 19.129,1314 0.708,1315 0.575,1316 19.129,1317 15.522,1318 13.062,1319 0.435,1320 0.297,1321 8.724,1322 12.387,1323 8.48,1324 7.094,1325 13.062,1326 8.904,1327 11.676,1328 0.265,1329 0.148,1330 11.676,1331 6.492,1332 10.634,1333 0.164,1334 0.074,1335 10.634,1336 4.834,1337 9.336,1338 0.099,1339 0.036,1340 9.336,1341 3.411,1342 7.765,1343 0.062,1344 0.019,1345 7.765,1346 2.411,1347 0.347,1348 83.156,1349 0.225,1350 25.042,1351 0.697,1352 148,1353 464.12,1354 167.713,1355 439.678,1356 610.02,1357 412,1358 183,1359 464.452,1360 204.964,1361 465.886,1362 697.29,1363 437,1364 5}
{0 CHEMBL575980,1 1.721,2 9.156,3 3.64,4 13.251,5 111.679,6 8.805,7 0.568,8 4.075,9 4.164,10 3.79,11 3.558,12 5.277,13 3.611,14 4.609,15 4.737,16 4.218,17 3.972,18 5.836,19 4.019,20 4.731,21 4.857,22 4.292,23 4.1,24 5.963,25 4.131,26 4.848,27 4.993,28 4.304,29 4.136,30 6.183,31 4.158,32 4.883,33 5.067,34 4.259,35 4.168,36 6.009,37 4.158,38 4.865,39 5.031,40 4.251,41 4.181,42 6.007,43 4.171,44 4.885,45 5.047,46 4.253,47 4.172,48 6.052,49 4.165,50 4.902,51 5.062,52 4.213,53 4.094,54 6.154,55 4.09,56 0.187,57 0.776,58 6.975,59 3.931,60 8.871,61 4.005,62 0.743,63 1.261,64 16.229,65 6.603,66 32.733,67 6.872,68 0.583,69 1.433,70 16.847,71 7.766,72 32.684,73 8.283,74 0.868,75 1.576,76 20.653,77 8.172,78 80.055,79 8.621,80 0.804,81 1.627,82 23.879,83 9.072,84 37.001,85 11.004,86 0.724,87 1.564,88 22.516,89 9.393,90 43.794,91 10.848,92 0.734,93 1.556,94 22.83,95 9.668,96 40.75,97 10.988,98 0.905,99 1.491,100 24.261,101 9.98,102 58.731,103 11.256,104 18,105 56,106 0.284,107 0.654,108 0.795,109 0.868,110 0.888,111 0.888,112 3.504,113 0.797,114 -3.41,115 -3.39,116 -3.24,118 44.9,123 2,125 1,138 7,139 1,140 4,143 1,147 1,148 2,153 1,154 1,157 1,167 6,170 6,171 5,173 3,178 4,181 3,182 11,184 1,188 2,191 5,192 10,195 1,199 1,203 5,204 8,206 1,211 4,214 3,215 8,220 1,223 6,227 3,228 9,233 3,235 4,239 3,240 10,243 1,245 3,247 1,251 4,252 8,255 1,257 1,264 1734,265 22.024,266 22.024,267 22.024,268 22.024,269 22.024,270 19.457,271 25.849,272 12.483,273 22.68,274 18.198,275 18.198,276 18.198,277 18.198,278 18.198,279 13.92,280 29.495,281 5.819,282 19.191,283 3.894,284 1.656,285 0.799,286 0.357,287 0.235,288 0.235,289 4.222,293 1,294 1,295 661,296 2.828,299 160.178,300 213.372,302 80.424,303 204.159,306 133.29,307 1.363,308 37.121,311 1,312 0.67,313 1,314 0.4,316 1,317 1,318 0.72,319 71.5,320 293,321 4.867,322 3.859,323 7.212,324 4.402,325 3.468,326 4.834,327 1.713,328 12.769,329 3.242,330 4.437,331 3.476,332 6.824,333 4.081,334 3.126,335 4.051,336 1.392,337 11.256,338 2.985,339 4.272,340 3.36,341 6.245,342 3.875,343 2.924,344 3.894,345 1.001,346 9.394,347 2.773,348 4.025,349 3.29,350 6.136,351 3.624,352 2.676,353 3.513,354 0.86,355 8.808,356 2.528,357 3.773,358 2.961,359 5.98,360 3.425,361 2.465,362 3.092,363 0.532,364 8.274,365 2.352,366 3.578,367 2.723,368 5.678,369 3.199,370 2.227,371 2.851,372 0.514,373 7.23,374 2.149,375 3.316,376 2.343,377 5.176,378 2.907,379 1.949,380 2.535,382 5.977,383 1.855,384 3.067,385 2.08,386 5.024,387 2.585,388 1.639,389 2.255,391 5.137,392 1.54,393 2.917,394 1.991,395 4.533,396 2.478,397 1.534,398 2.085,400 4.329,401 1.441,402 2.888,403 1.783,404 4.367,405 2.458,406 1.487,407 2.028,409 4.033,410 1.436,411 2.805,412 1.651,413 4.237,414 2.328,415 1.376,416 1.919,417 3.47,418 1.305,419 2.635,420 1.385,421 3.683,422 2.158,423 1.188,424 1.68,425 2.956,426 1.146,427 2.179,428 1.318,429 3.54,430 1.999,431 1.007,432 1.149,433 2.361,434 0.997,435 1.914,436 1.049,437 3.434,438 1.506,439 0.57,440 0.704,441 1.415,442 0.524,443 1.876,444 0.94,445 3.347,446 1.46,447 0.501,448 0.631,449 1.131,450 0.473,451 14.667,452 0.458,453 0.867,454 0.027,455 46.75,456 1.461,457 23,458 0.719,459 23.75,460 0.742,461 24.174,462 0.755,463 33.333,464 0.68,465 39.337,466 1.229,467 9.517,468 0.297,469 6.046,470 0.189,471 0.114,473 0.457,478 0.846,479 1.508,480 0.614,481 1.145,482 0.588,483 0.878,484 0.924,485 0.806,486 0.713,487 0.677,488 0.621,489 0.644,490 0.907,491 1.25,492 0.813,493 1.06,494 0.918,495 0.944,496 1.016,497 1.116,498 1.028,499 0.982,500 0.963,501 0.991,502 0.716,503 0.965,504 0.9,505 0.899,506 0.632,507 0.925,508 0.83,509 1.022,510 0.935,511 0.992,512 0.797,513 0.986,514 0.892,515 1.037,516 0.976,517 1.088,518 0.773,519 1.057,520 0.968,521 1.125,522 1.038,523 1.232,524 1.007,525 1.174,526 5.5,527 0.14,528 4.222,529 2.958,530 2.616,531 1.498,532 1.034,533 0.851,534 0.579,535 0.351,536 12859,537 39720,538 2.19,539 34.7,541 13,542 3,544 1,549 1.755,550 2.043,551 3.159,552 -0.279,554 1,558 84.307,559 1.721,560 3.958,561 4.816,562 5.257,563 5.38,564 5.38,565 2.698,566 4.875,567 4.971,568 3.341,569 1657.06,570 8.757,571 22723.8,573 1,575 1,576 275.121,577 1.419,578 4.932,579 0.149,580 0.008,581 0.075,582 0.049,583 0.044,584 0.026,585 0.018,586 0.015,587 0.011,588 0.009,589 0.406,590 0.5,591 0.88,592 0.688,593 162.177,594 -0.102,595 -0.378,596 0.069,597 -0.188,598 -0.077,599 -0.049,600 0.068,601 0.295,602 0.124,603 0.255,604 0.028,605 0.206,606 -0.055,607 -0.17,608 -0.007,609 -0.105,610 -0.057,611 -0.064,612 -0.071,613 -0.03,614 -0.162,615 -0.057,616 0.073,617 -0.119,618 0.042,619 0.094,620 0.022,621 0.056,622 0.024,623 0.042,624 -0.038,625 0.002,626 -0.037,627 -0.008,628 -0.059,629 -0.015,630 -0.042,631 -0.03,632 -0.066,633 -0.1,634 -0.023,635 -0.086,636 0.04,637 -0.173,638 -0.068,639 -0.237,640 0.019,641 -0.192,642 2.192,643 5.697,644 0.844,645 28.113,646 1.03,647 1.123,648 2.176,649 4.733,650 0.691,651 3.638,652 4.043,653 4.443,654 4.82,655 5.118,656 5.375,657 5.649,658 5.897,659 6.084,660 6.234,661 5.861,662 0.691,663 431.44,664 3.638,665 5.231,666 6.146,667 7.081,668 8.016,669 8.96,670 9.905,671 10.855,672 11.805,673 12.76,674 10.2,681 2,682 2,684 1,689 1,690 8,691 1,695 8,696 1,697 21,714 3,716 49,718 23,719 2,720 37,722 54,723 22,724 17,725 5,726 7,727 1,728 6,729 10,731 1,740 19,741 3,744 2,749 2,753 2,757 1,760 17,761 8,762 1,763 10,766 2,769 5,772 1,775 0.5,776 5,793 3,794 3,796 1,797 2,800 1,819 3,823 2,827 32,833 1,834 1,835 3,838 1,850 10.2,853 2,855 3,858 15.667,859 9.8,860 6.833,861 2.724,863 3.955,864 1.452,865 1.053,866 4.296,867 12.712,868 3.922,869 4.605,870 5.311,871 6.021,872 6.627,873 7.176,874 7.762,875 8.271,876 8.765,877 9.18,878 1,879 60,880 11.834,881 5.305,882 7.87,883 22.099,884 18.621,885 2.37,886 75.833,889 1,890 188.338,891 141.092,892 41.106,894 83.29,897 141.092,898 271.627,899 41.106,900 19.279,901 27.785,902 75.381,903 71.78,904 59.144,905 47.431,906 153.024,908 188.338,909 182.198,910 83.29,913 188.338,914 83.29,917 32.257,918 133.155,919 16.786,921 188.338,922 124.396,923 141.092,926 188.338,927 46.431,928 100.97,929 18.011,930 100.075,931 188.338,932 124.396,933 141.092,935 0.596,936 0.375,937 0.216,938 0.118,939 32,940 14,941 0.056,942 3,943 3,944 1.222,945 4.108,946 339.756,947 0.222,948 27,949 160,954 19.367,955 7.097,956 2.807,957 0.462,958 121.21,959 14.964,960 4.664,964 4.818,965 1.889,966 18.011,967 453.825,968 49.5,973 24.807,977 -1.034,980 50.447,981 55.03,983 0.306,984 0.705,985 0.858,986 0.936,987 0.958,988 0.958,989 5.205,990 1.639,991 6.168,992 5.977,993 4.727,994 5.293,995 2.659,996 7.089,997 4.624,998 6.45,999 1.534,1000 7.793,1001 5.137,1002 4.443,1003 5.263,1004 1.305,1005 8.176,1006 4.28,1007 7.799,1008 1.487,1009 9.518,1010 4.329,1011 6.425,1012 7.599,1013 3.158,1014 11.362,1015 6.21,1016 9.189,1017 1.376,1018 11.302,1019 4.033,1020 6.986,1021 8.425,1022 2.473,1023 13.288,1024 6.7,1025 10.613,1026 1.188,1027 13.123,1028 3.47,1029 8.446,1030 10.249,1031 3.888,1032 16.007,1033 8.111,1034 12.062,1035 1.007,1036 14.97,1037 2.956,1038 9.373,1039 11.464,1040 3.63,1041 18.278,1042 8.963,1043 13.531,1044 0.57,1045 16.836,1046 2.361,1047 10.652,1048 13.105,1049 4.742,1050 20.852,1051 10.191,1052 3.468,1053 0.501,1054 18.717,1055 1.415,1056 11.738,1057 14.502,1058 4.762,1059 23.268,1060 11.203,1061 3.126,1062 12.769,1063 20.609,1064 1.131,1065 12.96,1066 16.079,1067 5.672,1068 25.8,1069 12.367,1070 2.924,1071 11.256,1072 22.511,1073 4.834,1074 14.116,1075 17.561,1076 5.873,1077 28.279,1078 13.451,1079 2.676,1080 9.394,1081 24.421,1082 4.051,1083 15.325,1084 19.12,1085 6.651,1086 30.803,1087 14.596,1088 2.465,1089 8.808,1090 26.339,1091 3.894,1092 16.513,1093 20.644,1094 6.97,1095 33.311,1096 15.714,1097 2.227,1098 8.274,1099 28.262,1100 3.513,1101 17.723,1102 22.2,1103 7.663,1104 35.836,1105 16.858,1106 1.949,1107 7.23,1108 30.19,1109 3.092,1110 18.928,1111 23.746,1112 8.059,1113 38.358,1114 17.993,1115 11805,1116 20921,1117 25.085,1118 33.869,1119 58.069,1120 60.504,1121 60.073,1122 57.627,1123 57.679,1124 76.182,1125 12.023,1126 180.242,1127 54.785,1128 5.813,1129 5.859,1130 6.903,1131 5.489,1132 5.468,1133 7.834,1134 3.105,1135 20.558,1136 5.242,1137 14.675,1138 1.569,1139 1.635,1140 1.624,1141 1.557,1142 1.559,1143 2.059,1144 0.325,1145 4.871,1146 1.481,1147 4.226,1148 4.274,1149 4.214,1150 4.053,1151 7.447,1152 4.087,1153 3.918,1154 3.932,1155 3.883,1156 3.803,1157 7.411,1158 3.815,1159 3.866,1160 3.89,1161 3.817,1162 3.758,1163 5.093,1164 3.773,1165 3.626,1166 3.672,1167 3.582,1168 3.381,1169 4.972,1170 3.425,1171 3.289,1172 3.32,1173 3.207,1174 3.032,1175 4.815,1176 3.07,1177 3.249,1178 3.315,1179 3.114,1180 2.971,1181 4.399,1182 2.981,1183 3.211,1184 3.277,1185 3.063,1186 2.929,1187 4.364,1188 2.956,1189 3.019,1190 3.062,1191 2.948,1192 2.803,1193 4.14,1194 2.833,1195 0.132,1196 0.104,1197 0.195,1198 0.119,1199 0.094,1200 4.867,1201 0.131,1202 3.859,1203 0.046,1204 7.212,1205 0.345,1206 4.402,1207 0.088,1208 3.468,1209 4.834,1210 1.713,1211 12.769,1212 3.242,1213 1.938,1214 1.916,1215 2.018,1216 2.05,1217 1.151,1218 2.038,1219 1.849,1220 1.829,1221 1.943,1222 1.976,1223 1.052,1224 1.95,1225 1.714,1226 1.677,1227 1.791,1228 1.918,1229 0.897,1230 1.895,1231 1.455,1232 1.389,1233 1.583,1234 1.726,1235 0.68,1236 1.681,1237 1.334,1238 1.294,1239 1.573,1240 1.541,1241 0.585,1242 1.536,1243 1.197,1244 1.125,1245 1.447,1246 1.514,1247 0.574,1248 1.51,1249 1.155,1250 1.12,1251 1.415,1252 1.5,1253 0.561,1254 1.476,1255 1.095,1256 1.016,1257 1.349,1258 1.405,1259 0.356,1260 1.4,1261 4.317,1263 5.7,1264 3.434,1265 7.283,1266 5.861,1267 8.961,1268 8.032,1269 10.694,1271 3.162,1277 0.17,1278 2.345,1279 16.589,1282 1.316,1289 33.842,1290 84.307,1291 193.96,1292 235.96,1293 257.611,1294 263.611,1295 263.611,1296 48.496,1297 8.757,1298 104.78,1299 104.78,1300 33,1301 13.247,1302 4.585,1303 3.755,1304 40.887,1305 108,1306 111,1307 0.182,1308 199.193,1309 341.31,1310 477.791,1311 76402,1313 21.982,1314 0.687,1315 0.536,1316 21.982,1317 17.156,1318 15.563,1319 0.421,1320 0.266,1321 9.584,1322 14.644,1323 9.391,1324 7.737,1325 15.563,1326 9.828,1327 14.472,1328 0.258,1329 0.131,1330 14.472,1331 7.362,1332 13.512,1333 0.161,1334 0.067,1335 13.512,1336 5.619,1337 12.121,1338 0.099,1339 0.033,1340 12.121,1341 4.07,1342 10.026,1343 0.06,1344 0.017,1345 10.026,1346 2.808,1347 0.272,1348 99.94,1349 0.2,1350 28.806,1351 0.546,1352 186,1353 625.591,1354 213.352,1355 584.415,1356 814.07,1357 550,1358 233,1359 621.065,1360 262.938,1361 620.796,1362 932.32,1363 582,1364 4.699}
{0 CHEMBL576982,1 1.664,2 19.05,3 5.719,4 32.712,5 154.689,6 7.788,7 0.556,8 4.397,9 4.508,10 4.039,11 3.919,12 5.471,13 3.899,14 4.952,15 5.118,16 4.449,17 4.327,18 5.997,19 4.293,20 5.17,21 5.359,22 4.416,23 4.461,24 6.168,25 4.373,26 5.269,27 5.512,28 4.326,29 4.417,30 6.213,31 4.304,32 5.153,33 5.405,34 4.221,35 4.254,36 6.148,37 4.156,38 4.877,39 5.083,40 4.138,41 4.153,42 5.874,43 4.067,44 4.826,45 5.007,46 4.166,47 4.191,48 5.877,49 4.113,50 4.957,51 5.158,52 4.128,53 4.199,54 6.038,55 4.11,56 0.11,57 1.104,58 14.964,59 6.645,60 11.579,61 8.276,62 0.499,63 1.806,64 31.117,65 11.057,66 39.025,67 14.213,68 0.656,69 2.107,70 40.132,71 14.426,72 49.537,73 18.301,74 0.67,75 2.156,76 49.446,77 16.656,78 67.629,79 22.163,80 0.825,81 1.921,82 44.02,83 13.339,84 75.5,85 18.092,86 0.662,87 1.571,88 34.515,89 10.925,90 47.153,91 13.458,92 0.249,93 1.576,94 29.949,95 10.999,96 27.839,97 13.99,98 0.594,99 1.672,100 32.686,101 11.102,102 71.058,103 14.352,104 18,105 65,106 0.256,107 0.601,108 0.733,109 0.798,110 0.81,111 0.81,112 3.717,113 0.942,114 -4.43,115 -4.36,116 -4.11,118 40.3,119 3,122 1,124 6,138 8,139 1,140 2,142 1,143 1,147 1,148 3,154 1,157 1,161 1,167 8,170 1,171 9,173 3,174 1,175 3,178 10,181 2,182 10,184 1,186 2,188 7,191 1,192 13,195 1,197 5,199 2,203 2,204 7,206 1,208 5,211 3,214 2,215 5,218 1,220 2,223 8,228 8,231 1,233 3,235 8,239 2,240 6,243 1,245 1,247 7,251 2,252 4,255 1,257 1,260 8,264 3720,265 26.969,266 26.969,267 26.969,268 26.969,269 26.969,270 24.093,271 30.283,272 15.772,273 27.843,274 22.304,275 22.304,276 22.304,277 22.304,278 22.304,279 17.757,280 41.564,281 7.614,282 23.738,283 4.505,284 2.264,285 1.404,286 0.983,287 0.907,288 0.907,289 4.43,294 1,295 1683,296 4.416,299 309.188,300 406.175,302 144.755,303 168.529,306 227.117,307 3.503,308 31.443,311 0.75,312 0.5,313 0.83,314 0.7,315 0.5,316 0.83,317 1,318 0.73,319 87,320 762,321 4.749,322 3.582,323 7.118,324 4.326,325 3.327,326 4.85,327 1.656,328 11.699,329 3.322,330 4.471,331 3.527,332 6.794,333 4.178,334 3.265,335 3.918,336 0.86,337 11.258,338 2.995,339 4.222,340 3.275,341 6.148,342 3.81,343 2.834,344 3.89,345 0.86,346 9.096,347 2.756,348 3.969,349 2.94,350 5.635,351 3.606,352 2.65,353 3.538,354 0.8,355 7.717,356 2.525,357 3.848,358 2.857,359 5.572,360 3.461,361 2.539,362 3.148,363 0.247,364 7.48,365 2.355,366 3.689,367 2.721,368 5.355,369 3.411,370 2.473,371 3.027,373 7.011,374 2.3,375 3.521,376 2.523,377 5.341,378 3.299,379 2.351,380 2.746,382 6.955,383 2.213,384 3.427,385 2.413,386 5.195,387 2.983,388 2.019,389 2.591,391 6.228,392 1.946,393 3.294,394 2.175,395 4.842,396 2.827,397 1.873,398 2.524,400 5.276,401 1.758,402 3.217,403 2.037,404 4.749,405 2.601,406 1.725,407 2.495,409 5.234,410 1.492,411 2.718,412 1.73,413 4.349,414 2.426,415 1.545,416 1.812,417 3.93,418 1.354,419 2.653,420 1.492,421 4.226,422 2.307,423 1.332,424 1.688,425 3.584,426 1.294,427 2.574,428 1.484,429 3.804,430 2.173,431 1.213,432 1.578,433 3.233,434 1.153,435 2.5,436 1.275,437 3.679,438 2.006,439 1.104,440 1.5,441 2.675,442 1,443 2.459,444 1.256,445 3.414,446 2,447 1,448 1.443,449 2.275,450 0.986,451 19.067,452 0.477,453 1.116,454 0.028,455 50.5,456 1.263,457 23,458 0.575,459 27.5,460 0.688,461 38.334,462 0.958,463 43.333,464 0.602,465 39.589,466 0.99,467 9.588,468 0.24,469 9.726,470 0.243,471 0.096,472 0.026,473 0.304,478 0.806,479 1.367,480 0.737,481 1.062,482 0.66,483 0.958,484 1.001,485 1.047,486 0.791,487 0.894,488 0.622,489 0.833,490 1.149,491 1.072,492 1.084,493 1.029,494 1.02,495 1.085,496 0.946,497 1.021,498 0.905,499 0.984,500 0.779,501 0.957,502 1.099,503 0.891,504 0.906,505 0.791,506 1.267,507 0.83,508 1.21,509 0.838,510 1.238,511 0.914,512 1.152,513 0.855,514 0.784,515 1.243,516 1.132,517 1.276,518 0.89,519 1.1,520 1.278,521 0.95,522 1.081,523 0.96,524 2.085,525 1.072,526 9.5,527 0.176,528 4,529 2.736,530 1.772,531 1.424,532 0.749,533 0.483,534 0.428,535 0.45,536 34297,537 86492,538 2.144,539 44.4,540 9,541 20,542 1,544 2,549 1.791,550 2.025,551 4.161,552 0.174,558 119.843,559 1.664,560 3.906,561 4.766,562 5.187,563 5.263,564 5.263,565 3.659,566 5.003,567 5.285,568 4.401,569 3433.1,570 9.282,571 65900.8,576 444.235,577 1.445,578 5.258,579 0.211,580 0.004,581 0.062,582 0.046,583 0.033,584 0.03,585 0.016,586 0.01,587 0.01,588 0.011,589 0.432,590 0.17,591 0.75,592 0.598,593 233.874,594 0.022,595 -0.182,596 0.083,597 -0.046,598 -0.025,599 -0.004,600 0.036,601 0.06,602 0.143,603 0.099,604 0.132,605 0.114,606 -0.105,607 -0.022,608 -0.127,609 -0.035,610 -0.102,611 -0.122,612 0.003,613 -0.087,614 0.089,615 0.004,616 0.11,617 0.051,619 0.073,620 0.1,621 0.142,622 0.015,623 0.134,624 -0.087,625 0.231,626 -0.075,627 0.169,628 -0.087,629 0.114,630 -0.023,631 -0.151,632 -0.085,633 -0.171,634 0.064,635 -0.092,636 -0.169,637 0.083,638 -0.152,639 -0.012,640 -0.265,641 -0.125,642 2.056,643 5.424,644 0.725,645 71.7,646 1.007,647 1.127,648 3.203,649 10.256,650 0.672,651 3.829,652 4.19,653 4.443,654 4.727,655 4.934,656 5.088,657 5.273,658 5.421,659 5.576,660 5.753,661 10.929,662 0.639,663 560.74,664 3.829,665 5.398,666 6.252,667 7.144,668 8.016,669 8.913,670 9.795,671 10.695,672 11.585,673 12.49,674 8.3,677 1,681 2,682 1,684 2,689 3,690 9,691 2,693 1,694 1,695 6,697 25,714 1,716 72,718 26,719 2,720 45,722 77,723 29,724 18,725 5,726 7,728 6,729 9,731 1,732 3,733 1,740 19,741 10,744 1,749 1,753 1,760 32,761 9,762 2,763 11,764 1,766 1,768 1,769 6,775 0.667,776 4,793 3,794 3,796 1,797 1,800 1,816 1,818 1,819 4,821 1,823 3,827 40,833 6,834 2,835 2,838 1,839 1,844 1,850 5.6,853 1,854 1,855 2,858 19.75,859 13.883,860 8.444,861 4.296,863 4.823,864 1.517,865 0.996,866 7.814,867 14.149,868 4.086,869 4.725,870 5.338,871 6.007,872 6.545,873 7.039,874 7.587,875 8.057,876 8.498,877 8.959,878 0.923,879 60,880 14.789,881 6.34,882 7.631,883 28.579,884 23.827,885 2.131,886 85.25,890 353.133,891 191.59,892 76.814,894 56.879,896 31.278,897 160.312,898 410.012,899 76.814,900 26.476,901 56.116,902 84.857,903 72.527,904 39.087,905 26.714,906 372.64,908 353.133,909 237.127,910 56.879,911 31.278,913 353.133,914 45.879,915 11,917 89.759,918 110.986,919 36.382,920 31.278,921 353.133,922 133.693,923 191.59,926 353.133,927 80.257,928 115.744,929 36.022,930 93.261,931 353.133,932 133.693,933 191.59,935 0.592,936 0.331,937 0.175,938 0.093,939 33,940 14,941 0.104,942 8,943 2,944 1.138,945 5.281,946 389.261,947 0.138,948 29,949 197.367,950 1,954 27.208,955 11.488,956 6.358,957 3.14,958 132.407,959 17.548,960 8.767,962 5.32,963 1.634,964 4.435,966 36.022,967 678.416,968 58.5,973 12.424,977 -0.389,980 72.483,981 81.145,983 0.27,984 0.633,985 0.773,986 0.841,987 0.853,988 0.853,989 5.348,990 2.019,991 6.263,992 6.955,993 4.875,994 5.414,995 2.274,996 7.096,997 4.762,998 6.573,999 1.873,1000 7.836,1001 6.228,1002 4.575,1003 5.323,1004 1.305,1005 8.143,1006 4.443,1007 7.899,1008 1.725,1009 9.514,1010 5.276,1011 6.526,1012 7.674,1013 2.627,1014 11.182,1015 6.326,1016 9.261,1017 1.545,1018 11.256,1019 5.234,1020 7.04,1021 8.439,1022 2.354,1023 13.072,1024 6.831,1025 10.658,1026 1.332,1027 13.043,1028 3.93,1029 8.489,1030 10.284,1031 3.315,1032 15.68,1033 8.227,1034 12.078,1035 1.213,1036 14.86,1037 3.584,1038 9.364,1039 11.461,1040 3.414,1041 17.905,1042 9.094,1043 13.518,1044 1.104,1045 16.703,1046 3.233,1047 10.63,1048 13.115,1049 4.177,1050 20.389,1051 10.322,1052 3.327,1053 1,1054 18.564,1055 2.675,1056 11.672,1057 14.495,1058 4.466,1059 22.746,1060 11.353,1061 3.265,1062 11.699,1063 20.44,1064 2.275,1065 12.873,1066 16.08,1067 5.117,1068 25.196,1069 12.528,1070 2.834,1071 11.258,1072 22.33,1073 4.85,1074 13.991,1075 17.56,1076 5.504,1077 27.604,1078 13.635,1079 2.65,1080 9.096,1081 24.229,1082 3.918,1083 15.174,1084 19.125,1085 6.093,1086 30.046,1087 14.799,1088 2.539,1089 7.717,1090 26.138,1091 3.89,1092 16.327,1093 20.652,1094 6.531,1095 32.475,1096 15.941,1097 2.473,1098 7.48,1099 28.053,1100 3.538,1101 17.507,1102 22.215,1103 7.084,1104 34.917,1105 17.108,1106 2.351,1107 7.011,1108 29.974,1109 3.148,1110 18.678,1111 23.766,1112 7.551,1113 37.355,1114 18.27,1115 31501,1116 50293,1117 30.512,1118 48.398,1119 68.998,1120 69.621,1121 68.613,1122 68.062,1123 68.074,1124 88.155,1125 8.846,1126 200.451,1127 64.167,1128 5.749,1129 5.582,1130 6.92,1131 5.494,1132 5.327,1133 7.85,1134 2.912,1135 18.829,1136 5.322,1137 18.507,1138 1.533,1139 1.547,1140 1.525,1141 1.512,1142 1.513,1143 1.959,1144 0.197,1145 4.454,1146 1.426,1147 4.216,1148 4.242,1149 4.429,1150 4.155,1151 7.431,1152 4.129,1153 3.959,1154 3.989,1155 3.921,1156 3.852,1157 5.216,1158 3.849,1159 3.894,1160 3.921,1161 3.852,1162 3.774,1163 5.093,1164 3.79,1165 3.813,1166 3.873,1167 3.703,1168 3.594,1169 4.777,1170 3.609,1171 3.64,1172 3.679,1173 3.586,1174 3.49,1175 4.668,1176 3.503,1177 3.555,1178 3.615,1179 3.462,1180 3.359,1181 4.609,1182 3.372,1183 3.377,1184 3.43,1185 3.337,1186 3.168,1187 4.265,1188 3.17,1189 3.308,1190 3.35,1191 3.213,1192 3.078,1193 4.249,1194 3.085,1195 0.106,1196 0.08,1197 0.158,1198 0.096,1199 0.074,1200 4.749,1201 0.108,1202 3.582,1203 0.037,1204 7.118,1205 0.26,1206 4.326,1207 0.074,1208 3.327,1209 4.85,1210 1.656,1211 11.699,1212 3.322,1213 1.946,1214 1.926,1215 2.022,1216 2.045,1217 1.256,1218 2.04,1219 1.892,1220 1.87,1221 1.991,1222 1.999,1223 1.208,1224 1.997,1225 1.78,1226 1.739,1227 1.982,1228 1.969,1229 1.161,1230 1.964,1231 1.733,1232 1.671,1233 1.943,1234 1.924,1235 1.097,1236 1.947,1237 1.479,1238 1.447,1239 1.655,1240 1.737,1241 0.922,1242 1.69,1243 1.452,1244 1.406,1245 1.574,1246 1.672,1247 0.825,1248 1.658,1249 1.353,1250 1.309,1251 1.513,1252 1.547,1253 0.69,1254 1.569,1255 1.294,1256 1.247,1257 1.483,1258 1.458,1259 0.6,1260 1.444,1261 4.511,1263 5.861,1264 3.434,1265 7.38,1266 5.82,1267 8.976,1268 7.941,1269 10.617,1271 6.058,1277 5.072,1278 5.532,1279 11.425,1282 2.362,1283 -0.187,1289 46.023,1290 119.843,1291 281.202,1292 343.176,1293 373.441,1294 378.95,1295 378.95,1296 62.619,1297 9.326,1298 106.16,1299 134.4,1300 33,1301 13.012,1302 4.755,1303 3.858,1304 57.905,1305 262,1306 262,1307 0.105,1308 280.268,1309 472.23,1310 675.615,1311 197864,1313 27.692,1314 0.692,1315 0.59,1316 28.045,1317 23.585,1318 19.314,1319 0.429,1320 0.314,1321 13.161,1322 17.966,1323 12.717,1324 10.516,1325 19.722,1326 14.136,1327 18.528,1328 0.285,1329 0.182,1330 19.171,1331 11.805,1332 14.836,1333 0.177,1334 0.093,1335 15.608,1336 7.793,1337 12.629,1338 0.113,1339 0.05,1340 13.601,1341 5.554,1342 9.918,1343 0.072,1344 0.027,1345 10.867,1346 3.747,1347 0.175,1348 126.188,1349 0.181,1350 37.309,1351 0.263,1352 220,1353 645.049,1354 271.903,1355 632.891,1356 878.07,1357 596,1358 259,1359 650.803,1360 308.859,1361 666.909,1362 979.48,1363 626,1364 5}
{0 CHEMBL577156,1 1.652,2 8.483,3 3.872,4 14.993,5 105.912,6 8.422,7 0.636,8 3.981,9 4.086,10 3.662,11 3.505,12 5.177,13 3.53,14 4.49,15 4.637,16 4.072,17 3.907,18 5.689,19 3.923,20 4.666,21 4.814,22 4.184,23 4.036,24 5.874,25 4.047,26 4.767,27 4.928,28 4.211,29 4.06,30 6.108,31 4.071,32 4.797,33 4.982,34 4.178,35 4.109,36 5.936,37 4.094,38 4.8,39 4.98,40 4.111,41 4.134,42 5.924,43 4.098,44 4.795,45 4.98,46 4.05,47 4.096,48 5.934,49 4.05,50 4.776,51 4.961,52 3.929,53 3.978,54 6.003,55 3.921,56 0.09,57 0.73,58 7.225,59 3.616,60 6.358,61 4.119,62 0.458,63 1.185,64 14.89,65 6.035,66 22.875,67 7.135,68 0.404,69 1.365,70 17.851,71 7.415,72 28.867,73 8.786,74 0.673,75 1.484,76 21.013,77 7.549,78 76.257,79 8.757,80 0.592,81 1.532,82 22.513,83 8.189,84 31.418,85 10.172,86 0.463,87 1.492,88 22.431,89 8.988,90 38.891,91 10.92,92 0.443,93 1.444,94 22.75,95 9.272,96 35.78,97 11.363,98 0.548,99 1.341,100 23.119,101 9.275,102 50.793,103 11.235,104 18,105 49,106 0.277,107 0.63,108 0.738,109 0.827,110 0.862,111 0.862,112 3.41,113 0.82,114 -4.25,115 -4.19,116 -3.96,118 45.7,123 2,138 9,139 1,140 2,143 1,147 1,148 2,153 1,154 1,157 1,167 9,170 5,171 3,173 3,178 8,181 3,182 7,184 1,188 4,191 5,192 9,195 1,199 1,203 4,204 10,206 1,211 4,214 1,215 10,220 1,223 7,227 1,228 10,233 3,235 7,239 1,240 10,243 1,245 4,247 4,251 1,252 7,257 2,260 1,264 1299,265 19.922,266 19.922,267 19.922,268 19.922,269 19.922,270 17.327,271 19.248,272 11.487,273 20.433,274 16.227,275 16.227,276 16.227,277 16.227,278 16.227,279 12.068,280 21.654,281 5.358,282 16.987,283 3.872,284 1.766,285 1.123,286 0.59,287 0.381,288 0.381,289 4.118,292 1,293 1,294 1,295 542,296 2.646,299 89.155,300 207.453,302 73.18,303 90.44,306 120.89,307 1.26,308 28.647,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 63.5,320 246,321 4.865,322 3.859,323 7.211,324 4.4,325 3.467,326 4.833,327 1.713,328 12.766,329 3.24,330 4.422,331 3.472,332 6.822,333 4.068,334 3.115,335 4.01,336 1.001,337 11.248,338 2.969,339 4.086,340 3.351,341 6.152,342 3.684,343 2.717,344 3.663,345 0.86,346 8.916,347 2.63,348 3.9,349 2.963,350 6.047,351 3.509,352 2.553,353 3.333,354 0.514,355 8.451,356 2.424,357 3.614,358 2.755,359 5.694,360 3.232,361 2.258,362 2.891,364 7.277,365 2.186,366 3.395,367 2.391,368 5.18,369 2.965,370 2.001,371 2.666,373 5.999,374 1.918,375 3.075,376 2.083,377 5.03,378 2.615,379 1.643,380 2.283,382 5.147,383 1.596,384 3.066,385 1.714,386 4.548,387 2.584,388 1.634,389 2.255,391 4.347,392 1.54,393 2.917,394 1.63,395 4.28,396 2.458,397 1.487,398 2.085,400 3.583,401 1.436,402 2.727,403 1.368,404 3.707,405 2.206,406 1.253,407 1.813,409 3.021,410 1.189,411 2.515,412 1.227,413 3.563,414 2,415 1.015,416 1.514,417 2.579,418 1,419 2.5,420 1,421 3.47,422 1.998,423 1,424 1.5,425 2.136,426 0.995,427 1.914,428 0.959,429 3.345,430 1.491,431 0.552,432 0.685,433 1.368,434 0.505,435 1.865,436 0.935,437 3.247,438 1.453,439 0.499,440 0.63,441 1.129,442 0.473,443 1.601,444 0.829,445 2.859,446 1.225,447 0.308,448 0.401,449 0.609,450 0.282,451 13.5,452 0.466,453 0.747,454 0.026,455 42.75,456 1.474,457 22,458 0.759,459 20.75,460 0.716,461 20.776,462 0.716,463 29.7,464 0.646,465 34.922,466 1.204,467 8.752,468 0.302,469 5.345,470 0.184,471 0.123,473 0.422,478 0.787,479 1.472,480 0.652,481 1.082,482 0.556,483 0.878,484 0.752,485 0.868,486 0.706,487 0.757,488 0.567,489 0.73,490 0.897,491 1.227,492 0.788,493 1.029,494 0.912,495 0.915,496 1.082,497 1.09,498 0.97,499 0.931,500 0.956,501 0.917,502 0.863,503 0.962,504 0.932,505 0.878,506 0.655,507 0.894,508 0.949,509 1.003,510 1.016,511 1.001,512 0.8,513 1.01,514 0.933,515 1.017,516 1.045,517 1.103,518 0.773,519 1.095,520 1.043,521 1.134,522 1.17,523 1.286,524 1.064,525 1.269,526 4.5,527 0.049,528 3.556,529 2.764,530 2.359,531 1.467,532 0.89,533 0.671,534 0.447,535 0.218,536 9296,537 27097,538 2.15,539 37,541 15,542 1,544 1,549 1.731,550 2,551 3.045,552 -0.302,554 1,558 75.994,559 1.652,560 3.757,561 4.401,562 4.934,563 5.143,564 5.143,565 2.475,566 4.582,567 4.829,568 3.207,569 1302.12,570 8.476,571 16688.7,573 1,575 1,576 254.084,577 1.44,578 4.786,579 0.136,580 0.008,581 0.073,582 0.051,583 0.044,584 0.028,585 0.018,586 0.015,587 0.012,588 0.01,589 0.394,590 0.33,591 0.88,592 0.729,593 141.82,594 -0.072,595 -0.343,596 0.065,597 -0.142,598 -0.068,599 -0.036,600 0.169,601 0.249,602 0.131,603 0.165,604 0.044,605 0.131,606 0.033,607 -0.164,608 0.07,609 -0.085,610 -0.037,611 -0.024,612 0.028,613 -0.009,614 -0.062,615 -0.021,616 0.127,617 -0.053,618 0.025,619 0.106,620 -0.015,621 0.056,622 0.011,623 0.026,624 -0.11,625 0.008,626 -0.107,627 -0.022,628 -0.064,629 -0.05,630 -0.077,631 -0.038,632 -0.114,633 -0.109,634 -0.021,635 -0.111,636 -0.004,637 -0.207,638 -0.187,639 -0.284,640 0.002,641 -0.275,642 2.171,643 5.58,644 0.828,645 23.608,646 1.017,647 1.122,648 3.021,649 9.124,650 0.695,651 3.526,652 3.912,653 4.304,654 4.682,655 4.997,656 5.236,657 5.497,658 5.71,659 5.864,660 5.93,661 5.412,662 0.683,663 387.43,664 3.526,665 5.106,666 6.014,667 6.944,668 7.877,669 8.822,670 9.767,671 10.719,672 11.671,673 12.627,674 10.9,681 2,682 2,684 1,689 1,690 10,691 1,695 6,696 1,697 21,714 1,716 46,718 23,719 2,720 33,722 50,723 21,724 17,725 3,726 9,727 1,728 5,729 8,731 1,740 19,741 2,744 2,749 2,753 2,757 1,760 17,761 6,762 1,763 8,766 2,769 5,772 1,775 0.6,776 3,793 2,794 3,796 1,797 1,800 1,819 3,823 2,827 29,834 1,835 1,838 1,850 6.5,853 2,855 1,858 14.5,859 9.133,860 6.306,861 2.578,863 3.778,864 1.46,865 1.044,866 4.101,867 11.994,868 3.839,869 4.511,870 5.215,871 5.933,872 6.542,873 7.075,874 7.663,875 8.143,876 8.608,877 8.958,878 0.833,879 54,880 10.711,881 4.727,882 7.845,883 20.078,884 16.724,885 2.345,886 68,889 1,890 188.338,891 142.907,892 41.106,894 61.29,897 142.907,898 249.627,899 41.106,900 19.279,901 21.135,902 94.334,903 71.78,904 26.658,905 23.888,906 176.567,908 188.338,909 184.013,910 61.29,913 188.338,914 61.29,917 25.607,918 141.621,919 16.786,921 188.338,922 102.396,923 142.907,926 188.338,927 29.294,928 119.923,929 18.011,930 78.075,931 188.338,932 102.396,933 142.907,935 0.589,936 0.369,937 0.215,938 0.124,939 27,940 12,941 0.06,942 3,943 2,944 1.167,945 3.832,946 290.31,947 0.167,948 24,949 136.881,954 17.825,955 6.672,956 2.634,957 0.509,958 99.21,959 19.271,960 4.648,964 3.87,965 1.929,966 18.011,967 433.641,968 45.5,973 24.607,977 -0.984,980 46.793,981 51.611,983 0.299,984 0.68,985 0.797,986 0.893,987 0.931,988 0.931,989 5.101,990 1.634,991 6.028,992 5.147,993 4.595,994 5.198,995 2.286,996 6.948,997 4.503,998 6.344,999 1.487,1000 7.651,1001 4.347,1002 4.29,1003 5.112,1004 1.305,1005 8.046,1006 4.138,1007 7.686,1008 1.253,1009 9.378,1010 3.583,1011 6.282,1012 7.498,1013 2.764,1014 11.246,1015 6.082,1016 9.07,1017 1.015,1018 11.166,1019 3.021,1020 6.836,1021 8.292,1022 2.473,1023 13.194,1024 6.56,1025 10.491,1026 1,1027 12.994,1028 2.579,1029 8.307,1030 10.149,1031 3.533,1032 15.926,1033 7.986,1034 11.939,1035 0.552,1036 14.848,1037 2.136,1038 9.238,1039 11.355,1040 3.63,1041 18.214,1042 8.836,1043 13.408,1044 0.499,1045 16.722,1046 1.368,1047 10.527,1048 13.016,1049 4.46,1050 20.8,1051 10.073,1052 3.467,1053 0.308,1054 18.611,1055 1.129,1056 11.622,1057 14.415,1058 4.762,1059 23.228,1060 11.089,1061 3.115,1062 12.766,1063 20.511,1064 0.609,1065 12.853,1066 16.005,1067 5.464,1068 25.768,1069 12.261,1070 2.717,1071 11.248,1072 22.421,1073 4.833,1074 14.018,1075 17.494,1076 5.873,1077 28.254,1078 13.35,1079 2.553,1080 8.916,1081 24.339,1082 4.01,1083 15.235,1084 19.062,1085 6.504,1086 30.783,1087 14.503,1088 2.258,1089 8.451,1090 26.264,1091 3.663,1092 16.432,1093 20.593,1094 6.97,1095 33.294,1096 15.626,1097 2.001,1098 7.277,1099 28.194,1100 3.333,1101 17.649,1102 22.156,1103 7.562,1104 35.823,1105 16.775,1106 1.643,1107 5.999,1108 30.13,1109 2.891,1110 18.861,1111 23.707,1112 8.059,1113 38.346,1114 17.916,1115 8779,1116 15159,1117 22.194,1118 31.96,1119 51.558,1120 53.406,1121 53.439,1122 50.962,1123 51.004,1124 69.123,1125 8.177,1126 157.148,1127 48.768,1128 5.811,1129 5.859,1130 7.013,1131 5.487,1132 5.467,1133 7.833,1134 3.02,1135 20.553,1136 5.24,1137 13.685,1138 1.562,1139 1.618,1140 1.619,1141 1.544,1142 1.546,1143 2.095,1144 0.248,1145 4.762,1146 1.478,1147 4.224,1148 4.273,1149 4.211,1150 4.051,1151 7.447,1152 4.084,1153 3.876,1154 3.907,1155 3.832,1156 3.791,1157 7.411,1158 3.786,1159 3.851,1160 3.878,1161 3.784,1162 3.754,1163 5.076,1164 3.771,1165 3.607,1166 3.659,1167 3.557,1168 3.369,1169 4.816,1170 3.409,1171 3.249,1172 3.315,1173 3.12,1174 2.973,1175 4.726,1176 2.988,1177 3.217,1178 3.286,1179 3.063,1180 2.957,1181 4.387,1182 2.972,1183 3.074,1184 3.115,1185 3.029,1186 2.854,1187 4.214,1188 2.894,1189 2.862,1190 2.925,1191 2.743,1192 2.735,1193 3.875,1194 2.724,1195 0.147,1196 0.117,1197 0.219,1198 0.133,1199 0.105,1200 4.865,1201 0.146,1202 3.859,1203 0.052,1204 7.211,1205 0.387,1206 4.4,1207 0.098,1208 3.467,1209 4.833,1210 1.713,1211 12.766,1212 3.24,1213 1.949,1214 1.923,1215 2.044,1216 2.055,1217 1.153,1218 2.049,1219 1.863,1220 1.838,1221 1.977,1222 1.979,1223 1.056,1224 1.968,1225 1.717,1226 1.679,1227 1.795,1228 1.934,1229 0.899,1230 1.905,1231 1.455,1232 1.389,1233 1.589,1234 1.726,1235 0.681,1236 1.682,1237 1.349,1238 1.301,1239 1.573,1240 1.542,1241 0.586,1242 1.538,1243 1.197,1244 1.124,1245 1.449,1246 1.507,1247 0.573,1248 1.518,1249 1.098,1250 1.018,1251 1.357,1252 1.406,1253 0.362,1254 1.403,1255 0.886,1256 0.839,1257 1.181,1258 1.129,1259 0.218,1260 1.107,1261 4.205,1263 5.572,1264 3.045,1265 7.149,1266 5.533,1267 8.826,1268 7.766,1269 10.558,1271 3.191,1278 2.348,1279 5.569,1282 1.332,1289 31.412,1290 75.994,1291 172.825,1292 202.435,1293 226.964,1294 236.574,1295 236.574,1296 44.612,1297 8.216,1298 86.32,1299 86.32,1300 28,1301 13.113,1302 4.585,1303 3.755,1304 39.084,1305 91,1306 94,1307 0.211,1308 189.001,1309 318.79,1310 452.924,1311 38319,1313 20.121,1314 0.694,1315 0.544,1316 20.121,1317 15.787,1318 14.097,1319 0.427,1320 0.273,1321 8.838,1322 13.428,1323 8.628,1324 7.162,1325 14.097,1326 9.015,1327 12.846,1328 0.262,1329 0.136,1330 12.846,1331 6.66,1332 11.832,1333 0.162,1334 0.069,1335 11.832,1336 5.02,1337 10.556,1338 0.099,1339 0.034,1340 10.556,1341 3.623,1342 8.943,1343 0.061,1344 0.017,1345 8.943,1346 2.543,1347 0.312,1348 89.325,1349 0.212,1350 26.424,1351 0.643,1352 164,1353 512.12,1354 184.046,1355 490.409,1356 684.97,1357 460,1358 204,1359 525.156,1360 226.519,1361 528.912,1362 790.65,1363 497,1364 5.422}
{0 CHEMBL577392,1 1.796,2 8.931,3 3.872,4 14.99,5 101.231,6 9.102,7 0.636,8 3.935,9 4.034,10 3.666,11 3.456,12 5.2,13 3.501,14 4.432,15 4.557,16 4.086,17 3.855,18 5.757,19 3.892,20 4.628,21 4.775,22 4.16,23 3.96,24 5.928,25 3.993,26 4.66,27 4.811,28 4.175,29 3.968,30 6.066,31 3.997,32 4.7,33 4.872,34 4.138,35 4.027,36 5.889,37 4.028,38 4.724,39 4.9,40 4.119,41 4.069,42 5.9,43 4.048,44 4.741,45 4.913,46 4.078,47 4.013,48 6.009,49 3.999,50 4.718,51 4.903,52 3.939,53 3.846,54 6.079,55 3.826,56 0.18,57 0.758,58 5.389,59 3.311,60 10.545,61 3.237,62 0.501,63 1.212,64 11.093,65 5.668,66 25.695,67 5.859,68 0.649,69 1.43,70 15.573,71 6.915,72 57.068,73 6.97,74 0.736,75 1.423,76 16.146,77 6.969,78 75.706,79 7.296,80 0.694,81 1.431,82 17.841,83 7.273,84 40.033,85 8.12,86 0.588,87 1.487,88 18.468,89 8.425,90 36.755,91 9.87,92 0.696,93 1.51,94 18.968,95 8.467,96 52.557,97 9.192,98 0.822,99 1.384,100 20.785,101 8.534,102 69.029,103 9.508,104 18,105 49,106 0.305,107 0.663,108 0.776,109 0.862,110 0.87,111 0.87,112 3.41,113 0.793,114 -4.14,115 -4.08,116 -3.86,118 46.5,123 1,138 8,139 1,140 3,143 1,147 1,148 2,153 1,154 1,157 1,167 7,170 3,171 3,173 4,174 1,178 6,181 2,182 7,184 2,188 3,191 3,192 9,195 3,199 1,203 4,204 9,206 1,211 4,214 1,215 7,220 3,223 7,228 5,231 1,233 7,235 6,239 1,240 6,243 1,245 7,247 2,251 1,252 5,257 1,264 1350,265 19.817,266 19.817,267 19.817,268 19.817,269 19.817,270 17.149,271 20.253,272 11.385,273 20.347,274 16.252,275 16.252,276 16.252,277 16.252,278 16.252,279 12.004,280 22.29,281 5.344,282 17.076,283 3.63,284 1.518,285 0.855,286 0.343,287 0.297,288 0.297,289 4.118,293 1,294 1,295 572,296 2.646,299 90.825,300 209.458,302 74.65,303 92.602,306 123.385,307 1.258,308 38.108,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 65,320 259,321 4.853,322 3.776,323 7.182,324 4.378,325 3.444,326 4.827,327 1.671,328 12.669,329 3.219,330 4.382,331 3.448,332 6.722,333 4.007,334 3.046,335 3.996,336 0.986,337 10.909,338 2.925,339 4.105,340 3.314,341 6.111,342 3.697,343 2.725,344 3.714,345 0.86,346 8.847,347 2.645,348 3.883,349 2.961,350 5.806,351 3.443,352 2.49,353 3.368,354 0.139,355 7.772,356 2.359,357 3.601,358 2.904,359 5.265,360 3.184,361 2.234,362 2.923,364 6.359,365 2.109,366 3.454,367 2.643,368 5.108,369 3.043,370 2.071,371 2.701,373 6.093,374 1.996,375 3.263,376 2.24,377 4.995,378 2.848,379 1.898,380 2.486,382 5.693,383 1.79,384 3.066,385 1.96,386 4.854,387 2.584,388 1.638,389 2.243,391 4.957,392 1.539,393 2.917,394 1.642,395 4.429,396 2.458,397 1.486,398 2.085,400 3.928,401 1.436,402 2.766,403 1.414,404 4.225,405 2.245,406 1.296,407 1.863,409 3.419,410 1.222,411 2.615,412 1.266,413 3.661,414 2.1,415 1.13,416 1.658,417 2.928,418 1.089,419 2.5,420 1,421 3.505,422 2,423 1,424 1.5,425 2.275,426 1,427 1.896,428 0.94,429 3.414,430 1.46,431 0.546,432 0.681,433 1.268,434 0.492,435 1.607,436 0.839,437 2.85,438 1.227,439 0.312,440 0.402,441 0.609,442 0.284,443 1.224,444 0.673,445 2.744,446 0.841,447 -0.107,448 -0.135,449 -0.255,450 -0.098,451 13.286,452 0.458,453 0.781,454 0.027,455 42.75,456 1.474,457 22,458 0.759,459 20.75,460 0.716,461 20.118,462 0.694,463 29.914,464 0.696,465 35.05,466 1.209,467 8.792,468 0.303,469 5.271,470 0.182,471 0.109,473 0.437,477 1,478 0.734,479 1.212,480 0.602,481 1.006,482 0.541,483 0.812,484 0.681,485 0.919,486 0.675,487 0.871,488 0.544,489 0.81,490 1.01,491 1.084,492 0.896,493 0.956,494 0.999,495 0.902,496 0.857,497 1.007,498 0.899,499 0.976,500 0.686,501 0.95,502 0.709,503 0.783,504 0.914,505 0.843,506 0.555,507 0.904,508 0.616,509 0.875,510 0.868,511 1.036,512 0.463,513 1.035,514 0.915,515 0.977,516 1.075,517 1.141,518 0.83,519 1.156,520 0.999,521 1.071,522 1.134,523 1.264,524 0.999,525 1.265,526 5.5,527 0.058,528 3.333,529 2.764,530 2.154,531 1.55,532 0.897,533 0.667,534 0.455,535 0.31,536 9488,537 32423,538 2.15,539 32.6,541 11,542 1,544 2,549 1.73,550 2,551 3.1,552 0.296,554 1,558 77.223,559 1.796,560 3.908,561 4.571,562 5.083,563 5.13,564 5.13,565 2.62,566 4.185,567 4.826,568 3.266,569 1326.11,570 8.469,571 17015,573 1,575 1,576 233.329,577 1.44,578 4.786,579 0.167,580 0.006,581 0.068,582 0.053,583 0.041,584 0.03,585 0.018,586 0.014,587 0.012,588 0.013,589 0.424,590 0.5,591 0.88,592 0.729,593 142.362,594 -0.101,595 -0.217,596 0.034,597 -0.089,598 -0.066,599 -0.005,600 0.101,601 0.068,602 0.076,603 0.045,604 0.046,605 0.029,606 -0.099,607 -0.064,608 -0.045,609 -0.017,610 -0.12,611 -0.016,612 0.023,613 -0.039,614 -0.042,615 -0.053,616 0.108,617 -0.065,618 -0.004,619 0.084,620 -0.042,621 0.081,622 -0.023,623 0.032,624 0.037,625 -0.01,626 0.026,627 -0.052,628 0.044,629 -0.023,630 -0.063,631 -0.043,632 -0.142,633 -0.154,634 -0.056,635 -0.166,636 0.007,637 -0.194,638 -0.084,639 -0.26,640 -0.001,641 -0.225,642 2.3,643 5.465,644 0.828,645 24.709,646 1.033,647 1.129,648 2.91,649 8.466,650 0.701,651 3.526,652 3.912,653 4.277,654 4.663,655 4.97,656 5.215,657 5.464,658 5.677,659 5.844,660 5.916,661 5.543,662 0.704,663 391.39,664 3.526,665 5.106,666 6.004,667 6.932,668 7.856,669 8.797,670 9.734,671 10.683,672 11.627,673 12.58,674 11.6,681 2,682 2,684 1,689 1,690 9,691 1,695 7,696 1,697 21,714 1,715 1,716 43,718 23,719 2,720 33,722 47,723 20,724 17,725 4,726 8,727 1,728 5,729 8,731 1,740 19,741 1,744 2,749 2,753 2,757 1,758 1,760 14,761 7,762 2,763 9,766 2,769 5,772 1,775 0.6,776 3,793 2,794 3,796 1,797 1,800 1,819 3,823 1,825 1,827 29,834 2,835 1,849 1,850 7,853 2,855 1,858 14.5,859 8.243,860 6.25,861 2.383,863 3.847,864 1.468,865 1.061,866 4.065,867 12.067,868 3.839,869 4.522,870 5.207,871 5.932,872 6.536,873 7.073,874 7.649,875 8.131,876 8.614,877 8.972,878 1,879 52,880 10.727,881 4.819,882 8.057,883 19.718,884 16.478,885 2.557,886 74.167,889 1,890 141.253,891 134.156,892 55.993,894 61.29,895 14.96,897 134.156,898 202.543,899 70.953,900 10.883,901 36.022,902 84.857,903 71.78,904 35.779,905 38.848,906 129.482,908 141.253,909 190.148,910 76.25,913 156.213,914 61.29,917 40.494,918 132.869,919 16.786,921 156.213,922 117.282,923 134.156,926 141.253,927 38.415,928 98.926,929 36.022,930 93.035,931 141.253,932 132.242,933 134.156,935 0.59,936 0.358,937 0.21,938 0.122,939 27,940 12,941 0.064,942 3,943 2,944 1.167,945 3.866,946 287.614,947 0.167,948 24,949 136.881,954 17.764,955 6.637,956 2.774,957 0.399,958 129.057,959 15.063,960 4.473,964 2.677,965 1.795,966 36.022,967 407.651,968 45.5,973 24.072,977 -1.19,980 44.422,981 48.535,983 0.331,984 0.72,985 0.842,986 0.937,987 0.945,988 0.945,989 5.101,990 1.638,991 6.019,992 5.693,993 4.595,994 5.209,995 2.219,996 6.921,997 4.498,998 6.349,999 1.486,1000 7.628,1001 4.957,1002 4.29,1003 5.156,1004 1.195,1005 7.982,1006 4.135,1007 7.692,1008 1.296,1009 9.338,1010 3.928,1011 6.267,1012 7.516,1013 2.691,1014 11.167,1015 6.066,1016 9.074,1017 1.13,1018 11.109,1019 3.419,1020 6.792,1021 8.313,1022 2.324,1023 13.096,1024 6.52,1025 10.491,1026 1,1027 12.921,1028 2.928,1029 8.262,1030 10.161,1031 3.41,1032 15.819,1033 7.946,1034 11.933,1035 0.546,1036 14.761,1037 2.275,1038 9.167,1039 11.364,1040 3.434,1041 18.102,1042 8.775,1043 13.397,1044 0.312,1045 16.623,1046 1.268,1047 10.454,1048 13.02,1049 4.279,1050 20.679,1051 10.011,1052 3.444,1053 -0.107,1054 18.502,1055 0.609,1056 11.532,1057 14.416,1058 4.52,1059 23.104,1060 11.012,1061 3.046,1062 12.669,1063 20.396,1064 -0.255,1065 12.758,1066 16.002,1067 5.226,1068 25.637,1069 12.18,1070 2.725,1071 10.909,1072 22.3,1073 4.827,1074 13.912,1075 17.488,1076 5.584,1077 28.119,1078 13.259,1079 2.49,1080 8.847,1081 24.214,1082 3.996,1083 15.124,1084 19.053,1085 6.211,1086 30.642,1087 14.406,1088 2.234,1089 7.772,1090 26.135,1091 3.714,1092 16.312,1093 20.582,1094 6.634,1095 33.149,1096 15.52,1097 2.071,1098 6.359,1099 28.062,1100 3.368,1101 17.524,1102 22.143,1103 7.215,1104 35.673,1105 16.664,1106 1.898,1107 6.093,1108 29.995,1109 2.923,1110 18.73,1111 23.692,1112 7.675,1113 38.191,1114 17.797,1115 8953,1116 16702,1117 22.194,1118 30.137,1119 51.213,1120 53.167,1121 53.339,1122 50.618,1123 50.631,1124 68.894,1125 7.312,1126 155.451,1127 48.21,1128 5.798,1129 5.776,1130 6.873,1131 5.465,1132 5.444,1133 7.827,1134 2.967,1135 20.397,1136 5.219,1137 13.982,1138 1.552,1139 1.611,1140 1.616,1141 1.534,1142 1.534,1143 2.088,1144 0.222,1145 4.711,1146 1.461,1147 4.222,1148 4.27,1149 4.209,1150 4.049,1151 8.201,1152 4.082,1153 3.875,1154 3.906,1155 3.835,1156 3.79,1157 7.448,1158 3.79,1159 3.858,1160 3.882,1161 3.803,1162 3.749,1163 7.412,1164 3.767,1165 3.579,1166 3.624,1167 3.541,1168 3.33,1169 5.078,1170 3.376,1171 3.249,1172 3.315,1173 3.073,1174 2.969,1175 4.818,1176 2.98,1177 3.09,1178 3.124,1179 3.061,1180 2.874,1181 4.618,1182 2.919,1183 3.037,1184 3.067,1185 3.007,1186 2.752,1187 4.386,1188 2.79,1189 2.854,1190 2.925,1191 2.765,1192 2.735,1193 4.176,1194 2.715,1195 0.147,1196 0.114,1197 0.218,1198 0.133,1199 0.104,1200 4.853,1201 0.146,1202 3.776,1203 0.051,1204 7.182,1205 0.384,1206 4.378,1207 0.098,1208 3.444,1209 4.827,1210 1.671,1211 12.669,1212 3.219,1213 1.945,1214 1.92,1215 2.029,1216 2.055,1217 1.148,1218 2.045,1219 1.859,1220 1.835,1221 1.965,1222 1.972,1223 1.05,1224 1.962,1225 1.694,1226 1.658,1227 1.742,1228 1.922,1229 0.845,1230 1.879,1231 1.427,1232 1.364,1233 1.573,1234 1.705,1235 0.577,1236 1.649,1237 1.326,1238 1.284,1239 1.479,1240 1.533,1241 0.57,1242 1.534,1243 1.197,1244 1.124,1245 1.428,1246 1.507,1247 0.472,1248 1.5,1249 0.886,1250 0.845,1251 1.181,1252 1.152,1253 0.218,1254 1.107,1255 0.87,1256 0.821,1257 1.114,1258 1.117,1259 0.17,1260 1.104,1261 4.205,1263 5.572,1264 3.045,1265 7.14,1266 5.533,1267 8.804,1268 7.758,1269 10.524,1271 1.557,1273 13.465,1278 4.761,1279 5.501,1289 30.269,1290 77.223,1291 168.045,1292 196.574,1293 218.574,1294 220.574,1295 220.574,1296 50.47,1297 8.22,1298 97.18,1299 97.18,1300 28,1301 13.069,1302 4.585,1303 3.755,1304 39.117,1305 92,1306 111,1307 0.206,1308 180.607,1309 307.56,1310 432.442,1311 39068,1312 2.3,1313 20.121,1314 0.694,1315 0.522,1316 19.25,1317 15.141,1318 14.063,1319 0.426,1320 0.264,1321 8.531,1322 13.308,1323 8.404,1324 6.923,1325 13.669,1326 8.72,1327 13.068,1328 0.267,1329 0.131,1330 12.446,1331 6.416,1332 11.486,1333 0.162,1334 0.067,1335 11.075,1336 4.725,1337 10.53,1338 0.1,1339 0.033,1340 10.379,1341 3.47,1342 8.764,1343 0.061,1344 0.017,1345 8.534,1346 2.402,1347 0.307,1348 89.776,1349 0.212,1350 26.543,1351 0.622,1352 164,1353 594.919,1354 187.516,1355 542.036,1356 740.14,1357 506,1358 202,1359 554.574,1360 225.931,1361 550.24,1362 819.88,1363 518,1364 5.268}
{0 CHEMBL577602,1 1.575,2 10.743,3 5.456,4 29.764,5 130.524,6 8.277,7 0.675,8 4.164,9 4.267,10 3.835,11 3.733,12 5.339,13 3.742,14 4.67,15 4.809,16 4.23,17 4.134,18 5.843,19 4.129,20 4.885,21 5.047,22 4.333,23 4.259,24 6.018,25 4.244,26 4.975,27 5.152,28 4.385,29 4.273,30 6.239,31 4.268,32 5.011,33 5.193,34 4.425,35 4.341,36 6.16,37 4.332,38 5.054,39 5.227,40 4.423,41 4.397,42 6.228,43 4.378,44 5.071,45 5.25,46 4.369,47 4.376,48 6.253,49 4.345,50 5.04,51 5.221,52 4.242,53 4.278,54 6.263,55 4.233,56 0.058,57 0.84,58 9,59 4.543,60 7.38,61 5.261,62 0.422,63 1.396,64 17.473,65 7.605,66 24.069,67 9.051,68 0.374,69 1.668,70 23.427,71 9.802,72 32.686,73 11.989,74 0.648,75 1.828,76 27.345,77 9.973,78 78.814,79 12.073,80 0.587,81 1.913,82 28.276,83 10.313,84 39.016,85 12.723,86 0.482,87 1.949,88 28.979,89 11.207,90 50.481,91 13.291,92 0.497,93 1.941,94 30.101,95 11.695,96 51.708,97 13.884,98 0.619,99 1.801,100 30.385,101 11.768,102 70.582,103 13.82,104 11,105 58,106 0.252,107 0.564,108 0.677,109 0.8,110 0.857,111 0.863,112 3.59,113 0.836,114 -5.3,115 -5.19,116 -4.85,118 48.2,123 1,124 1,138 14,139 2,140 2,143 1,147 1,148 2,153 1,154 1,157 1,167 15,170 5,171 4,173 3,178 14,181 3,182 9,184 1,188 7,191 5,192 13,195 1,197 1,199 1,203 4,204 16,206 1,208 2,211 4,214 1,215 18,220 3,223 7,227 1,228 18,233 4,235 7,239 1,240 15,243 1,245 4,247 6,251 1,252 10,257 2,260 9,264 2128,265 24.353,266 24.353,267 24.353,268 24.353,269 24.353,270 21.007,271 22.959,272 14.347,273 24.856,274 19.747,275 19.747,276 19.747,277 19.747,278 19.747,279 14.568,280 27.772,281 6.775,282 20.514,283 4.232,284 2.277,285 1.572,286 0.799,287 0.442,288 0.406,289 4.309,294 1,295 839,296 2.915,299 114.545,300 356.337,302 93.486,303 112.439,306 151.872,307 1.722,308 31.713,311 1,312 0.67,313 1,314 0.4,316 1,317 1,318 0.72,319 75.5,320 376,321 4.867,322 3.874,323 7.217,324 4.405,325 3.471,326 4.833,327 1.718,328 12.797,329 3.245,330 4.431,331 3.478,332 6.845,333 4.086,334 3.134,335 4.013,336 1.008,337 11.371,338 2.982,339 4.093,340 3.358,341 6.221,342 3.695,343 2.735,344 3.665,345 0.86,346 9.143,347 2.634,348 3.975,349 2.977,350 6.083,351 3.613,352 2.636,353 3.474,354 0.692,355 8.72,356 2.571,357 3.831,358 2.823,359 5.722,360 3.406,361 2.426,362 3.313,363 0.076,364 7.457,365 2.36,366 3.606,367 2.663,368 5.305,369 3.212,370 2.234,371 2.896,373 6.754,374 2.173,375 3.395,376 2.36,377 5.18,378 2.966,379 2.001,380 2.667,382 5.999,383 1.919,384 3.079,385 2.077,386 5.03,387 2.619,388 1.646,389 2.289,391 5.158,392 1.601,393 3.067,394 1.726,395 4.553,396 2.585,397 1.635,398 2.257,400 4.367,401 1.541,402 2.917,403 1.63,404 4.282,405 2.463,406 1.489,407 2.086,409 3.6,410 1.458,411 2.902,412 1.568,413 3.771,414 2.457,415 1.464,416 2.064,417 3.141,418 1.436,419 2.725,420 1.364,421 3.682,422 2.204,423 1.248,424 1.809,425 3.01,426 1.187,427 2.515,428 1.191,429 3.56,430 2,431 1.015,432 1.514,433 2.579,434 1,435 2.5,436 1,437 3.47,438 2,439 1,440 1.5,441 2.136,442 1,443 2.5,444 1,445 3.435,446 1.998,447 1,448 1.5,449 2.136,450 0.995,451 16.5,452 0.471,453 0.778,454 0.022,455 52.25,456 1.493,457 28,458 0.8,459 24.25,460 0.693,461 26.384,462 0.754,463 35.1,464 0.627,465 44.69,466 1.277,467 10.663,468 0.305,469 6.489,470 0.185,471 0.071,473 0.376,478 0.768,479 1.345,480 0.667,481 1.014,482 0.553,483 0.853,484 0.734,485 0.957,486 0.786,487 0.876,488 0.582,489 0.852,490 0.869,491 1.223,492 0.837,493 1.05,494 0.902,495 0.961,496 1.045,497 1.116,498 0.902,499 0.923,500 0.89,501 0.883,502 0.976,503 1.023,504 0.868,505 0.845,506 0.785,507 0.82,508 1.174,509 1.07,510 0.995,511 0.949,512 1.065,513 0.928,514 1.215,515 1.064,516 1.077,517 1.035,518 1.106,519 1.021,520 1.318,521 1.072,522 1.185,523 1.129,524 1.409,525 1.132,526 5,527 0.124,528 3.556,529 2.826,530 2.71,531 1.727,532 1.185,533 0.892,534 0.54,535 0.365,536 16539,537 44253,538 2.191,539 37.5,541 19,542 1,544 1,549 1.777,550 2.079,551 3.355,552 -0.373,558 88.227,559 1.575,560 3.53,561 4.235,562 5.008,563 5.365,564 5.401,565 2.89,566 4.844,567 5.097,568 3.529,569 2099.92,570 9.009,571 30710.8,576 325.212,577 1.313,578 5.074,579 0.125,580 0.004,581 0.061,582 0.045,583 0.042,584 0.025,585 0.017,586 0.014,587 0.01,588 0.009,589 0.353,590 0.17,591 0.75,592 0.597,593 183.727,594 -0.047,595 -0.254,596 0.065,597 -0.094,598 -0.056,599 -0.015,600 0.192,601 0.142,602 0.043,603 0.038,604 0.031,605 0.004,606 0.067,607 -0.18,608 0.058,609 -0.108,610 -0.043,611 -0.05,612 0.097,613 -0.038,614 0.048,615 -0.008,616 0.18,617 0.007,618 0.037,619 0.067,620 0.069,621 0.071,622 0.027,623 0.08,624 -0.147,625 -0.019,626 -0.071,627 -0.013,628 -0.073,629 -0.018,630 -0.149,631 -0.039,632 -0.13,633 -0.086,634 -0.053,635 -0.093,636 -0.09,637 -0.096,638 -0.194,639 -0.159,640 -0.057,641 -0.184,642 2.167,643 6.032,644 0.857,645 35.291,646 1.01,647 1.115,648 4.069,649 16.553,650 0.705,651 3.714,652 4.078,653 4.454,654 4.836,655 5.159,656 5.394,657 5.677,658 5.919,659 6.118,660 6.252,661 6.466,662 0.687,663 463.53,664 3.714,665 5.283,666 6.18,667 7.101,668 8.025,669 8.961,670 9.9,671 10.846,672 11.794,673 12.747,674 8.9,681 2,682 2,684 1,689 1,690 15,691 1,695 7,696 1,697 27,714 1,716 56,718 29,719 3,720 40,722 61,723 27,724 23,725 4,726 14,727 1,728 6,729 9,731 1,740 25,741 2,744 2,749 2,753 2,760 21,761 6,762 1,763 8,766 2,769 5,772 1,775 0.667,776 3,793 2,794 4,796 1,797 1,800 1,819 4,823 1,827 35,833 1,834 1,835 1,838 1,850 5.4,853 2,855 1,858 16.833,859 10.55,860 7.639,861 3.214,863 4.09,864 1.463,865 1.055,866 5.307,867 12.917,868 4.034,869 4.687,870 5.365,871 6.066,872 6.672,873 7.162,874 7.756,875 8.258,876 8.752,877 9.15,878 1,879 63,880 12.959,881 5.718,882 7.762,883 24.498,884 20.53,885 2.262,886 79.167,890 235.422,891 187.183,892 41.106,894 61.29,897 187.183,898 296.712,899 41.106,900 10.883,901 23.241,902 141.715,903 71.78,904 29.843,905 23.888,906 223.651,908 235.422,909 228.29,910 61.29,913 235.422,914 61.29,917 27.713,918 183.791,919 16.786,921 235.422,922 102.396,923 187.183,926 235.422,927 34.585,928 158.908,929 18.011,930 78.075,931 235.422,932 102.396,933 187.183,935 0.581,936 0.356,937 0.211,938 0.123,939 31,940 13,941 0.082,942 5,943 2,944 1.133,945 4.373,946 375.428,947 0.133,948 30,949 171.525,954 21.504,955 8.638,956 3.577,957 0.501,958 99.21,959 28.976,960 4.844,964 4.768,965 1.949,966 18.011,967 525.001,968 55.5,973 25.864,977 -0.988,980 56.56,981 62.441,983 0.271,984 0.608,985 0.729,986 0.862,987 0.924,988 0.93,989 5.282,990 1.646,991 6.176,992 5.999,993 4.762,994 5.375,995 2.34,996 7.071,997 4.683,998 6.509,999 1.635,1000 7.777,1001 5.158,1002 4.369,1003 5.19,1004 1.305,1005 8.125,1006 4.229,1007 7.836,1008 1.489,1009 9.485,1010 4.367,1011 6.418,1012 7.64,1013 2.795,1014 11.327,1015 6.24,1016 9.205,1017 1.464,1018 11.258,1019 3.6,1020 6.909,1021 8.353,1022 2.487,1023 13.26,1024 6.649,1025 10.611,1026 1.248,1027 13.073,1028 3.141,1029 8.41,1030 10.249,1031 3.554,1032 15.988,1033 8.112,1034 12.045,1035 1.015,1036 14.918,1037 3.01,1038 9.302,1039 11.399,1040 3.65,1041 18.273,1042 8.918,1043 13.503,1044 1,1045 16.785,1046 2.579,1047 10.604,1048 13.078,1049 4.483,1050 20.855,1051 10.172,1052 3.471,1053 1,1054 18.668,1055 2.136,1056 11.678,1057 14.445,1058 4.787,1059 23.282,1060 11.161,1061 3.134,1062 12.797,1063 20.564,1064 2.136,1065 12.912,1066 16.041,1067 5.491,1068 25.821,1069 12.338,1070 2.735,1071 11.371,1072 22.471,1073 4.833,1074 14.067,1075 17.513,1076 5.903,1077 28.307,1078 13.413,1079 2.636,1080 9.143,1081 24.387,1082 4.013,1083 15.284,1084 19.082,1085 6.537,1086 30.836,1087 14.566,1088 2.426,1089 8.72,1090 26.309,1091 3.665,1092 16.476,1093 20.605,1094 7.006,1095 33.348,1096 15.681,1097 2.234,1098 7.457,1099 28.238,1100 3.474,1101 17.693,1102 22.168,1103 7.6,1104 35.877,1105 16.83,1106 2.001,1107 6.754,1108 30.172,1109 3.313,1110 18.903,1111 23.715,1112 8.1,1113 38.402,1114 17.966,1115 15279,1116 25196,1117 27.452,1118 39.483,1119 61.833,1120 63.534,1121 63.101,1122 61.136,1123 61.191,1124 83.478,1125 8.707,1126 183.81,1127 58.929,1128 5.817,1129 5.874,1130 7.019,1131 5.492,1132 5.471,1133 7.833,1134 3.027,1135 20.594,1136 5.245,1137 13.357,1138 1.546,1139 1.588,1140 1.578,1141 1.528,1142 1.53,1143 2.087,1144 0.218,1145 4.595,1146 1.473,1147 4.227,1148 4.276,1149 4.214,1150 4.056,1151 7.447,1152 4.088,1153 3.92,1154 3.954,1155 3.861,1156 3.85,1157 7.411,1158 3.845,1159 3.858,1160 3.889,1161 3.802,1162 3.79,1163 5.077,1164 3.785,1165 3.851,1166 3.878,1167 3.783,1168 3.747,1169 4.816,1170 3.761,1171 3.583,1172 3.627,1173 3.539,1174 3.356,1175 4.749,1176 3.395,1177 3.249,1178 3.315,1179 3.131,1180 3.022,1181 4.724,1182 3.031,1183 3.208,1184 3.261,1185 3.063,1186 2.969,1187 4.386,1188 2.979,1189 3.075,1190 3.115,1191 3.031,1192 2.865,1193 4.173,1194 2.903,1195 0.122,1196 0.097,1197 0.18,1198 0.11,1199 0.087,1200 4.867,1201 0.121,1202 3.874,1203 0.043,1204 7.217,1205 0.32,1206 4.405,1207 0.081,1208 3.471,1209 4.833,1210 1.718,1211 12.797,1212 3.245,1213 1.95,1214 1.923,1215 2.046,1216 2.058,1217 1.169,1218 2.051,1219 1.915,1220 1.885,1221 2.038,1222 2.024,1223 1.15,1224 2.024,1225 1.863,1226 1.837,1227 1.977,1228 1.96,1229 1.056,1230 1.966,1231 1.695,1232 1.661,1233 1.75,1234 1.897,1235 0.873,1236 1.865,1237 1.443,1238 1.381,1239 1.573,1240 1.708,1241 0.683,1242 1.657,1243 1.345,1244 1.299,1245 1.533,1246 1.536,1247 0.587,1248 1.536,1249 1.197,1250 1.124,1251 1.449,1252 1.507,1253 0.573,1254 1.511,1255 1.118,1256 1.063,1257 1.329,1258 1.354,1259 0.386,1260 1.353,1261 4.394,1263 5.746,1264 3.045,1265 7.307,1266 5.533,1267 8.968,1268 7.766,1269 10.686,1271 1.617,1277 0.285,1278 2.468,1279 5.648,1282 1.494,1289 38.466,1290 88.227,1291 197.696,1292 237.154,1293 280.457,1294 300.457,1295 302.457,1296 55.184,1297 8.827,1298 86.32,1299 86.32,1300 34,1301 13.236,1302 4.907,1303 4.044,1304 46.575,1305 134,1306 154,1307 0.171,1308 230.38,1309 391.41,1310 553.887,1311 83043,1313 23.941,1314 0.684,1315 0.539,1316 23.941,1317 18.881,1318 17.152,1319 0.429,1320 0.279,1321 10.976,1322 16.495,1323 10.756,1324 8.909,1325 17.152,1326 11.148,1327 15.39,1328 0.265,1329 0.141,1330 15.39,1331 8.173,1332 13.87,1333 0.163,1334 0.072,1335 13.87,1336 6.082,1337 12.626,1338 0.101,1339 0.036,1340 12.626,1341 4.473,1342 10.769,1343 0.062,1344 0.018,1345 10.769,1346 3.166,1347 0.259,1348 107.575,1349 0.191,1350 31.254,1351 0.504,1352 196,1353 576.12,1354 216.379,1355 557.417,1356 781.62,1357 524,1358 241,1359 598.508,1360 264.018,1361 604.879,1362 902.29,1363 570,1364 5}
{0 CHEMBL578641,1 1.631,2 8.567,3 4.358,4 18.995,5 110.953,6 8.193,7 0.618,8 4.033,9 4.142,10 3.692,11 3.556,12 5.21,13 3.574,14 4.551,15 4.708,16 4.107,17 3.962,18 5.723,19 3.97,20 4.72,21 4.864,22 4.221,23 4.104,24 5.919,25 4.105,26 4.858,27 5.033,28 4.247,29 4.137,30 6.151,31 4.132,32 4.865,33 5.054,34 4.217,35 4.172,36 5.98,37 4.147,38 4.871,39 5.058,40 4.168,41 4.198,42 5.972,43 4.16,44 4.889,45 5.081,46 4.128,47 4.186,48 5.994,49 4.136,50 4.873,51 5.056,52 4.041,53 4.104,54 6.077,55 4.045,56 0.075,57 0.769,58 8.256,59 3.946,60 6.661,61 4.695,62 0.462,63 1.248,64 17.033,65 6.65,66 25.182,67 8.239,68 0.37,69 1.445,70 19.28,71 8.013,72 27.198,73 9.746,74 0.677,75 1.601,76 24.807,77 8.684,78 80.138,79 10.794,80 0.571,81 1.629,82 25.052,83 9.043,84 33.243,85 11.696,86 0.461,87 1.606,88 25.17,89 9.633,90 39.864,91 12.134,92 0.446,93 1.591,94 26.097,95 10.198,96 36.766,97 12.949,98 0.523,99 1.5,100 25.639,101 10.176,102 52.607,103 12.613,104 27,105 51,106 0.27,107 0.643,108 0.785,109 0.866,110 0.882,111 0.882,112 3.442,113 0.832,114 -4.47,115 -4.4,116 -4.14,118 44.9,119 1,123 2,138 8,139 2,140 2,143 1,147 1,148 2,153 1,154 1,157 1,167 10,170 5,171 3,173 3,178 10,181 3,182 7,184 1,188 6,191 5,192 9,195 1,199 2,203 4,204 11,206 1,211 4,214 1,215 11,220 1,223 7,227 1,228 11,233 3,235 8,239 1,240 11,243 1,245 4,247 6,251 1,252 9,257 3,260 2,264 1440,265 20.37,266 20.37,267 20.37,268 20.37,269 20.37,270 17.75,271 21.673,272 11.61,273 20.881,274 16.71,275 16.71,276 16.71,277 16.71,278 16.71,279 12.479,280 23.125,281 5.415,282 17.47,283 3.983,284 1.736,285 0.878,286 0.388,287 0.291,288 0.291,289 4.148,293 1,294 1,295 563,296 2.739,299 93.319,300 216.794,302 76.593,303 95.003,306 126.709,307 1.291,308 29.202,311 1,312 1,313 1,314 0.6,316 1,317 1,318 0.8,319 65.5,320 257,321 4.866,322 3.859,323 7.211,324 4.401,325 3.467,326 4.834,327 1.713,328 12.768,329 3.241,330 4.425,331 3.472,332 6.823,333 4.072,334 3.118,335 4.018,336 1.001,337 11.252,338 2.976,339 4.123,340 3.351,341 6.155,342 3.721,343 2.745,344 3.736,345 0.86,346 8.953,347 2.679,348 3.954,349 2.966,350 6.062,351 3.551,352 2.599,353 3.418,354 0.514,355 8.515,356 2.462,357 3.655,358 2.814,359 5.707,360 3.286,361 2.31,362 2.946,364 7.341,365 2.247,366 3.505,367 2.548,368 5.204,369 3.117,370 2.139,371 2.793,373 6.2,374 2.082,375 3.257,376 2.188,377 5.09,378 2.858,379 1.893,380 2.468,382 5.725,383 1.816,384 3.067,385 2.065,386 4.935,387 2.585,388 1.639,389 2.255,391 5.106,392 1.54,393 2.917,394 1.656,395 4.439,396 2.458,397 1.487,398 2.085,400 3.947,401 1.436,402 2.807,403 1.422,404 4.203,405 2.319,406 1.35,407 1.932,409 3.396,410 1.307,411 2.691,412 1.353,413 3.676,414 2.183,415 1.212,416 1.767,417 2.942,418 1.17,419 2.513,420 1.183,421 3.538,422 1.998,423 1.013,424 1.512,425 2.495,426 0.996,427 1.914,428 0.962,429 3.469,430 1.492,431 0.553,432 0.685,433 1.375,434 0.506,435 1.865,436 0.936,437 3.347,438 1.453,439 0.499,440 0.63,441 1.129,442 0.473,443 1.601,444 0.829,445 2.887,446 1.225,447 0.308,448 0.401,449 0.609,450 0.282,451 14,452 0.467,453 0.854,454 0.028,455 43.25,456 1.442,457 22,458 0.733,459 21.25,460 0.708,461 23.168,462 0.772,463 31,464 0.633,465 35.952,466 1.198,467 8.792,468 0.293,469 5.698,470 0.19,471 0.155,473 0.443,478 0.781,479 1.474,480 0.675,481 1.097,482 0.563,483 0.9,484 0.734,485 0.842,486 0.671,487 0.725,488 0.547,489 0.694,490 0.892,491 1.27,492 0.834,493 1.09,494 0.919,495 0.979,496 1.023,497 1.066,498 0.936,499 0.924,500 0.911,501 0.907,502 0.835,503 1.01,504 0.92,505 0.92,506 0.642,507 0.92,508 0.967,509 1.003,510 1.001,511 0.969,512 0.792,513 0.976,514 0.931,515 1.005,516 1.017,517 1.056,518 0.737,519 1.047,520 1.031,521 1.141,522 1.165,523 1.282,524 1.047,525 1.259,526 5.5,527 0.078,528 3.778,529 2.951,530 2.55,531 1.467,532 1.027,533 0.78,534 0.562,535 0.264,536 10075,537 28470,538 2.124,539 38.8,540 3,541 14,542 1,544 1,549 1.74,550 1.957,551 3.06,552 -0.316,554 1,558 79.938,559 1.631,560 3.879,561 4.737,562 5.227,563 5.324,564 5.324,565 2.511,566 4.748,567 4.878,568 3.238,569 1408.57,570 8.575,571 18522.4,573 1,575 1,576 275.121,577 1.482,578 4.825,579 0.162,580 0.01,581 0.074,582 0.053,583 0.046,584 0.027,585 0.019,586 0.016,587 0.013,588 0.01,589 0.428,590 0.33,591 0.88,592 0.758,593 148.471,594 -0.06,595 -0.332,596 0.067,597 -0.135,598 -0.069,599 -0.033,600 0.192,601 0.274,602 0.193,603 0.214,604 0.069,605 0.193,606 0.035,607 -0.188,608 0.015,609 -0.134,610 -0.047,611 -0.085,612 0.063,613 0.001,614 -0.003,615 0.004,616 0.145,617 -0.01,618 0.048,619 0.058,620 -0.001,621 0.023,622 0.019,623 0.009,624 -0.115,625 0.029,626 -0.088,627 0.004,628 -0.064,629 -0.022,630 -0.077,631 -0.007,632 -0.086,633 -0.066,634 -0.005,635 -0.068,636 -0.013,637 -0.179,638 -0.213,639 -0.288,640 -0.013,641 -0.286,642 2.17,643 5.634,644 0.8,645 24.933,646 1.014,647 1.123,648 3.239,649 10.494,650 0.688,651 3.555,652 3.951,653 4.331,654 4.71,655 5.024,656 5.268,657 5.529,658 5.753,659 5.916,660 6.001,661 5.54,662 0.672,663 401.46,664 3.555,665 5.142,666 6.047,667 6.98,668 7.911,669 8.856,670 9.799,671 10.751,672 11.702,673 12.658,674 10.2,681 2,682 2,684 1,689 1,690 9,691 1,695 7,696 1,697 21,714 1,716 49,718 23,719 2,720 34,722 53,723 22,724 17,725 4,726 8,727 1,728 5,729 8,731 1,732 1,740 19,741 3,744 2,749 2,753 2,757 1,760 19,761 6,762 1,763 8,766 2,769 5,772 1,775 0.6,776 3,793 2,794 3,796 1,797 1,800 1,819 3,823 3,827 30,834 1,835 1,838 1,850 6.1,853 2,855 1,858 15.333,859 10.05,860 6.472,861 2.772,863 3.815,864 1.46,865 1.036,866 4.327,867 12.112,868 3.861,869 4.543,870 5.239,871 5.956,872 6.566,873 7.103,874 7.689,875 8.179,876 8.653,877 9.024,878 0.833,879 56,880 11.088,881 4.877,882 7.822,883 20.853,884 17.368,885 2.322,886 69.667,888 1,889 1,890 211.88,891 145.442,892 41.106,894 61.29,897 145.442,898 273.17,899 41.106,900 28.105,901 21.135,902 84.857,903 71.78,904 29.843,905 23.888,906 200.109,908 211.88,909 186.548,910 61.29,913 211.88,914 61.29,917 34.432,918 135.33,919 16.786,921 211.88,922 102.396,923 145.442,926 211.88,927 32.48,928 119.272,929 18.011,930 78.075,931 211.88,932 102.396,933 145.442,935 0.594,936 0.367,937 0.212,938 0.122,939 28,940 13,941 0.057,942 3,943 2,944 1.167,945 3.877,946 304.27,947 0.167,948 24,949 145.207,954 18.761,955 6.92,956 2.827,957 0.512,958 99.21,959 17.579,960 4.67,964 5.014,965 1.942,966 18.011,967 459.717,968 46.5,973 24.699,977 -0.982,980 49.676,981 55.026,983 0.291,984 0.691,985 0.844,986 0.931,987 0.948,988 0.948,989 5.131,990 1.639,991 6.071,992 5.725,993 4.635,994 5.231,995 2.286,996 6.989,997 4.546,998 6.382,999 1.487,1000 7.695,1001 5.106,1002 4.369,1003 5.19,1004 1.305,1005 8.08,1006 4.229,1007 7.729,1008 1.35,1009 9.42,1010 3.947,1011 6.326,1012 7.537,1013 2.764,1014 11.271,1015 6.136,1016 9.115,1017 1.212,1018 11.204,1019 3.396,1020 6.889,1021 8.345,1022 2.473,1023 13.208,1024 6.629,1025 10.536,1026 1.013,1027 13.027,1028 2.942,1029 8.345,1030 10.185,1031 3.533,1032 15.939,1033 8.037,1034 11.982,1035 0.553,1036 14.876,1037 2.495,1038 9.274,1039 11.393,1040 3.63,1041 18.222,1042 8.889,1043 13.45,1044 0.499,1045 16.745,1046 1.375,1047 10.556,1048 13.045,1049 4.46,1050 20.806,1051 10.118,1052 3.467,1053 0.308,1054 18.63,1055 1.129,1056 11.647,1057 14.443,1058 4.762,1059 23.232,1060 11.133,1061 3.118,1062 12.768,1063 20.527,1064 0.609,1065 12.875,1066 16.027,1067 5.464,1068 25.772,1069 12.299,1070 2.745,1071 11.252,1072 22.434,1073 4.834,1074 14.037,1075 17.514,1076 5.873,1077 28.257,1078 13.387,1079 2.599,1080 8.953,1081 24.35,1082 4.018,1083 15.251,1084 19.078,1085 6.504,1086 30.786,1087 14.536,1088 2.31,1089 8.515,1090 26.273,1091 3.736,1092 16.446,1093 20.607,1094 6.97,1095 33.297,1096 15.657,1097 2.139,1098 7.341,1099 28.202,1100 3.418,1101 17.662,1102 22.168,1103 7.562,1104 35.826,1105 16.804,1106 1.893,1107 6.2,1108 30.136,1109 2.946,1110 18.873,1111 23.718,1112 8.059,1113 38.349,1114 17.943,1115 9562,1116 16264,1117 22.6,1118 33.722,1119 53.291,1120 55.16,1121 55.716,1122 52.587,1123 52.663,1124 70.958,1125 8.177,1126 163.507,1127 50.427,1128 5.812,1129 5.859,1130 6.903,1131 5.488,1132 5.467,1133 7.834,1134 3.02,1135 20.557,1136 5.241,1137 15.732,1138 1.567,1139 1.622,1140 1.639,1141 1.547,1142 1.549,1143 2.087,1144 0.24,1145 4.809,1146 1.483,1147 4.225,1148 4.274,1149 4.212,1150 4.056,1151 7.447,1152 4.087,1153 3.891,1154 3.923,1155 3.842,1156 3.814,1157 7.411,1158 3.813,1159 3.863,1160 3.888,1161 3.804,1162 3.759,1163 5.076,1164 3.773,1165 3.616,1166 3.667,1167 3.566,1168 3.381,1169 4.816,1170 3.419,1171 3.249,1172 3.315,1173 3.123,1174 3.033,1175 4.715,1176 3.028,1177 3.221,1178 3.29,1179 3.066,1180 2.971,1181 4.387,1182 2.981,1183 3.178,1184 3.255,1185 3.061,1186 2.941,1187 4.218,1188 2.956,1189 3.042,1190 3.092,1191 2.914,1192 2.84,1193 3.907,1194 2.867,1195 0.143,1196 0.113,1197 0.212,1198 0.129,1199 0.102,1200 4.866,1201 0.142,1202 3.859,1203 0.05,1204 7.211,1205 0.376,1206 4.401,1207 0.095,1208 3.467,1209 4.834,1210 1.713,1211 12.768,1212 3.241,1213 1.961,1214 1.936,1215 2.06,1216 2.061,1217 1.186,1218 2.057,1219 1.874,1220 1.849,1221 1.985,1222 1.983,1223 1.079,1224 1.98,1225 1.719,1226 1.681,1227 1.797,1228 1.947,1229 0.906,1230 1.909,1231 1.456,1232 1.39,1233 1.609,1234 1.727,1235 0.704,1236 1.682,1237 1.384,1238 1.336,1239 1.573,1240 1.571,1241 0.658,1242 1.569,1243 1.197,1244 1.124,1245 1.548,1246 1.51,1247 0.574,1248 1.531,1249 1.163,1250 1.085,1251 1.418,1252 1.411,1253 0.51,1254 1.427,1255 1.093,1256 1.013,1257 1.353,1258 1.368,1259 0.357,1260 1.387,1261 4.234,1263 5.609,1264 3.045,1265 7.188,1266 5.533,1267 8.864,1268 7.766,1269 10.596,1271 5.227,1278 2.357,1279 5.592,1282 1.336,1289 32.939,1290 79.938,1291 190.062,1292 232.101,1293 256.101,1294 260.856,1295 260.856,1296 47.488,1297 8.297,1298 86.32,1299 86.32,1300 28,1301 13.144,1302 4.585,1303 3.755,1304 41.046,1305 96,1306 97,1307 0.209,1308 198.594,1309 336.09,1310 476.329,1311 42290,1313 20.991,1314 0.7,1315 0.557,1316 20.991,1317 16.71,1318 14.49,1319 0.426,1320 0.277,1321 9.249,1322 13.822,1323 8.965,1324 7.47,1325 14.49,1326 9.426,1327 13.479,1328 0.264,1329 0.14,1330 13.479,1331 7.163,1332 12.159,1333 0.162,1334 0.07,1335 12.159,1336 5.264,1337 10.863,1338 0.099,1339 0.035,1340 10.863,1341 3.818,1342 9.149,1343 0.061,1344 0.018,1345 9.149,1346 2.665,1347 0.31,1348 91.688,1349 0.21,1350 27.18,1351 0.635,1352 170,1353 520.12,1354 190.046,1355 499.33,1356 697.54,1357 468,1358 211,1359 535.156,1360 233.519,1361 540.766,1362 807.06,1363 507,1364 5}
{0 CHEMBL583871,1 1.675,2 9.032,3 4.091,4 16.735,5 112.647,6 8.349,7 0.6,8 4.062,9 4.165,10 3.725,11 3.563,12 5.278,13 3.592,14 4.569,15 4.719,16 4.149,17 3.972,18 5.784,19 3.992,20 4.749,21 4.883,22 4.274,23 4.126,24 5.995,25 4.141,26 4.896,27 5.059,28 4.305,29 4.177,30 6.219,31 4.179,32 4.942,33 5.131,34 4.261,35 4.218,36 6.072,37 4.195,38 4.945,39 5.141,40 4.227,41 4.241,42 6.047,43 4.202,44 4.917,45 5.091,46 4.215,47 4.221,48 6.09,49 4.187,50 4.958,51 5.135,52 4.144,53 4.145,54 6.212,55 4.101,56 0.136,57 0.783,58 8.262,59 4.022,60 11.044,61 4.575,62 0.502,63 1.261,64 16.799,65 6.726,66 26.505,67 8.112,68 0.478,69 1.473,70 19.176,71 8.136,72 37.455,73 9.453,74 0.751,75 1.654,76 24.527,77 8.991,78 84.623,79 10.841,80 0.743,81 1.725,82 27.059,83 9.566,84 45.975,85 12.084,86 0.619,87 1.691,88 27.781,89 10.541,90 48.604,91 13.508,92 0.568,93 1.629,94 25.266,95 10.259,96 44.625,97 12.514,98 0.711,99 1.577,100 27.875,101 11.108,102 60.564,103 13.529,104 38,105 53,106 0.277,107 0.674,108 0.807,109 0.872,110 0.885,111 0.885,112 3.474,113 0.82,114 -3.73,115 -3.7,116 -3.52,118 44,119 1,123 2,138 7,139 2,140 3,143 1,147 1,148 2,153 1,154 1,157 1,167 8,170 5,171 3,173 3,175 2,178 8,181 3,182 7,184 1,186 2,188 4,191 5,192 10,195 1,197 2,199 2,203 4,204 10,206 1,211 4,214 1,215 10,218 1,220 1,223 8,227 1,228 10,231 1,233 3,235 8,239 1,240 11,243 2,245 6,247 3,251 1,252 5,255 1,257 3,264 1579,265 20.87,266 20.87,267 20.87,268 20.87,269 20.87,270 18.197,271 23.83,272 11.78,273 21.421,274 17.177,275 17.177,276 17.177,277 17.177,278 17.177,279 12.868,280 25.595,281 5.479,282 18.015,283 3.969,284 1.564,285 0.758,286 0.365,287 0.285,288 0.285,289 4.176,293 1,294 1,295 612,296 2.828,299 97.674,300 226.253,302 80.178,303 99.683,306 132.756,307 1.263,308 36.654,311 1,312 0.83,313 1,314 0.6,316 1,317 1,318 0.78,319 68.5,320 280,321 4.871,322 3.859,323 7.221,324 4.408,325 3.473,326 4.837,327 1.713,328 12.805,329 3.254,330 4.449,331 3.48,332 6.844,333 4.097,334 3.137,335 4.067,336 1.001,337 11.324,338 3.015,339 4.226,340 3.358,341 6.326,342 3.827,343 2.851,344 3.862,345 0.86,346 9.49,347 2.77,348 3.987,349 3.016,350 6.127,351 3.579,352 2.636,353 3.456,354 0.514,355 8.697,356 2.478,357 3.675,358 2.936,359 5.771,360 3.301,361 2.335,362 2.982,364 7.499,365 2.248,366 3.54,367 2.606,368 5.314,369 3.141,370 2.178,371 2.833,373 6.449,374 2.084,375 3.332,376 2.353,377 5.138,378 2.925,379 1.968,380 2.564,382 5.883,383 1.872,384 3.067,385 2.088,386 4.99,387 2.588,388 1.64,389 2.255,391 5.164,392 1.568,393 2.99,394 1.823,395 4.716,396 2.583,397 1.612,398 2.155,400 4.693,401 1.54,402 2.917,403 1.645,404 4.344,405 2.458,406 1.487,407 2.085,409 3.684,410 1.436,411 2.736,412 1.372,413 4.003,414 2.225,415 1.269,416 1.828,417 3.178,418 1.209,419 2.596,420 1.282,421 3.673,422 2.085,423 1.105,424 1.632,425 2.887,426 1.079,427 1.914,428 1.05,429 3.536,430 1.507,431 0.571,432 0.707,433 1.419,434 0.525,435 1.88,436 0.94,437 3.347,438 1.459,439 0.5,440 0.631,441 1.13,442 0.473,443 1.601,444 0.829,445 2.945,446 1.227,447 0.311,448 0.402,449 0.609,450 0.284,451 14.333,452 0.462,453 0.943,454 0.03,455 44.5,456 1.435,457 22.5,458 0.726,459 22,460 0.71,461 24.566,462 0.792,463 32.467,464 0.649,465 38.219,466 1.233,467 9.049,468 0.292,469 5.852,470 0.189,471 0.174,473 0.467,478 0.848,479 1.46,480 0.684,481 1.077,482 0.673,483 0.881,484 0.717,485 0.859,486 0.639,487 0.737,488 0.539,489 0.682,490 0.941,491 1.258,492 0.839,493 1.069,494 0.948,495 0.96,496 0.964,497 1.145,498 0.959,499 1.006,500 0.857,501 0.978,502 0.881,503 0.981,504 0.987,505 0.903,506 0.704,507 0.94,508 0.795,509 0.962,510 0.91,511 0.933,512 0.656,513 0.935,514 0.903,515 1.041,516 1.037,517 1.12,518 0.793,519 1.103,520 1.006,521 1.204,522 1.115,523 1.32,524 0.909,525 1.27,526 6,527 0.087,528 4.222,529 3.264,530 2.661,531 1.769,532 1.121,533 0.967,534 0.607,535 0.371,536 10866,537 33219,538 2.1,539 38,540 3,541 13,542 1,544 2,549 1.748,550 1.918,551 3.111,552 0.257,554 1,558 83.765,559 1.675,560 4.08,561 4.886,562 5.279,563 5.359,564 5.359,565 2.631,566 4.607,567 4.925,568 3.28,569 1524.98,570 8.67,571 20418.4,573 1,575 1,576 282.193,577 1.507,578 4.864,579 0.171,580 0.007,581 0.08,582 0.055,583 0.045,584 0.031,585 0.02,586 0.018,587 0.013,588 0.013,589 0.453,590 0.5,591 0.88,592 0.778,593 155.076,594 -0.106,595 -0.308,596 0.045,597 -0.098,598 -0.104,599 -0.014,600 0.141,601 0.267,602 0.203,603 0.214,604 0.067,605 0.21,606 -0.031,607 -0.165,608 -0.009,609 -0.103,610 -0.079,611 -0.069,612 0.015,613 -0.068,614 -0.059,615 -0.067,616 0.088,617 -0.08,618 -0.031,619 0.089,620 -0.067,621 0.043,622 -0.041,623 -0.004,624 -0.032,625 0.054,626 0.018,627 0.058,628 -0.003,629 0.058,630 -0.066,631 -0.018,632 -0.139,633 -0.128,634 -0.054,635 -0.138,636 0.009,637 -0.262,638 -0.151,639 -0.314,640 0.04,641 -0.281,642 2.198,643 5.658,644 0.774,645 26.454,646 1.02,647 1.125,648 2.5,649 6.252,650 0.684,651 3.584,652 3.989,653 4.369,654 4.745,655 5.056,656 5.313,657 5.565,658 5.796,659 5.974,660 6.061,661 5.656,662 0.673,663 417.46,664 3.584,665 5.176,666 6.084,667 7.02,668 7.953,669 8.9,670 9.844,671 10.797,672 11.748,673 12.706,674 10,681 2,682 2,684 1,689 1,690 8,691 1,695 8,696 1,697 21,713 1,714 1,716 50,718 23,719 2,720 35,722 54,723 22,724 17,725 5,726 7,727 1,728 5,729 8,731 1,732 1,740 19,741 3,744 2,749 2,753 2,757 1,760 19,761 7,762 2,763 9,766 2,769 5,772 1,775 0.6,776 4,793 2,794 3,796 1,797 1,800 1,819 3,823 3,827 31,832 1,834 1,835 1,838 1,850 8,852 1,853 2,855 1,858 16.167,859 10.167,860 6.667,861 2.774,863 3.861,864 1.461,865 1.01,866 4.534,867 12.234,868 3.882,869 4.575,870 5.27,871 5.985,872 6.593,873 7.143,874 7.714,875 8.214,876 8.702,877 9.071,878 1,879 59,880 11.464,881 5.085,882 7.93,883 21.329,884 17.784,885 2.43,886 75.333,888 1,889 1,890 200.109,891 135.965,892 41.106,894 103.973,897 135.965,898 304.082,899 41.106,900 28.105,901 21.135,902 75.381,903 114.463,904 29.843,905 23.888,906 188.338,908 200.109,909 177.072,910 103.973,913 200.109,914 103.973,917 34.432,918 125.854,919 16.786,921 200.109,922 145.079,923 135.965,926 200.109,927 32.48,928 109.796,929 18.011,930 120.759,931 200.109,932 145.079,933 135.965,935 0.598,936 0.371,937 0.212,938 0.121,939 29,940 14,941 0.056,942 3,943 2,944 1.167,945 3.914,946 319.282,947 0.167,948 24,949 153.58,954 19.664,955 7.147,956 2.923,957 0.452,958 141.894,959 14.373,960 4.645,964 4.501,965 1.877,966 60.694,967 481.153,968 47.5,973 24.739,977 -1.048,980 51.003,981 56.236,983 0.297,984 0.723,985 0.866,986 0.935,987 0.949,988 0.949,989 5.16,990 1.64,991 6.116,992 5.883,993 4.673,994 5.263,995 2.286,996 7.041,997 4.58,998 6.418,999 1.612,1000 7.747,1001 5.164,1002 4.443,1003 5.263,1004 1.305,1005 8.145,1006 4.297,1007 7.771,1008 1.487,1009 9.478,1010 4.693,1011 6.375,1012 7.579,1013 2.764,1014 11.333,1015 6.182,1016 9.163,1017 1.269,1018 11.266,1019 3.684,1020 6.957,1021 8.411,1022 2.473,1023 13.27,1024 6.701,1025 10.587,1026 1.105,1027 13.091,1028 3.178,1029 8.401,1030 10.234,1031 3.533,1032 16,1033 8.099,1034 12.037,1035 0.571,1036 14.942,1037 2.887,1038 9.34,1039 11.453,1040 3.63,1041 18.281,1042 8.97,1043 13.507,1044 0.5,1045 16.812,1046 1.419,1047 10.617,1048 13.095,1049 4.46,1050 20.865,1051 10.196,1052 3.473,1053 0.311,1054 18.698,1055 1.13,1056 11.711,1057 14.496,1058 4.762,1059 23.288,1060 11.222,1061 3.137,1062 12.805,1063 20.595,1064 0.609,1065 12.935,1066 16.075,1067 5.464,1068 25.828,1069 12.39,1070 2.851,1071 11.324,1072 22.502,1073 4.837,1074 14.098,1075 17.56,1076 5.873,1077 28.312,1078 13.484,1079 2.636,1080 9.49,1081 24.418,1082 4.067,1083 15.311,1084 19.121,1085 6.504,1086 30.841,1087 14.636,1088 2.335,1089 8.697,1090 26.34,1091 3.862,1092 16.505,1093 20.647,1094 6.97,1095 33.352,1096 15.761,1097 2.178,1098 7.499,1099 28.268,1100 3.456,1101 17.719,1102 22.205,1103 7.562,1104 35.881,1105 16.911,1106 1.968,1107 6.449,1108 30.202,1109 2.982,1110 18.929,1111 23.752,1112 8.059,1113 38.405,1114 18.053,1115 10360,1116 18272,1117 23.005,1118 34.176,1119 54.848,1120 56.74,1121 57.903,1122 54.111,1123 54.148,1124 72.592,1125 8.177,1126 169.821,1127 51.667,1128 5.817,1129 5.859,1130 6.913,1131 5.495,1132 5.473,1133 7.837,1134 3.02,1135 20.611,1136 5.254,1137 17.606,1138 1.567,1139 1.621,1140 1.654,1141 1.546,1142 1.547,1143 2.074,1144 0.234,1145 4.852,1146 1.476,1147 4.226,1148 4.274,1149 4.214,1150 4.058,1151 7.447,1152 4.089,1153 3.896,1154 3.923,1155 3.853,1156 3.811,1157 7.411,1158 3.814,1159 3.864,1160 3.888,1161 3.81,1162 3.758,1163 6.471,1164 3.773,1165 3.613,1166 3.663,1167 3.566,1168 3.37,1169 5.072,1170 3.412,1171 3.249,1172 3.315,1173 3.123,1174 3.027,1175 4.816,1176 3.014,1177 3.218,1178 3.286,1179 3.066,1180 2.972,1181 4.596,1182 2.984,1183 3.187,1184 3.263,1185 3.061,1186 2.954,1187 4.386,1188 2.969,1189 3.078,1190 3.117,1191 2.967,1192 2.849,1193 4.191,1194 2.891,1195 0.139,1196 0.11,1197 0.206,1198 0.126,1199 0.099,1200 4.871,1201 0.138,1202 3.859,1203 0.049,1204 7.221,1205 0.366,1206 4.408,1207 0.093,1208 3.473,1209 4.837,1210 1.713,1211 12.805,1212 3.254,1213 1.959,1214 1.937,1215 2.046,1216 2.062,1217 1.192,1218 2.055,1219 1.871,1220 1.848,1221 1.978,1222 1.984,1223 1.075,1224 1.975,1225 1.718,1226 1.68,1227 1.795,1228 1.946,1229 0.902,1230 1.907,1231 1.455,1232 1.389,1233 1.589,1234 1.727,1235 0.682,1236 1.682,1237 1.346,1238 1.303,1239 1.573,1240 1.548,1241 0.612,1242 1.538,1243 1.204,1244 1.128,1245 1.54,1246 1.508,1247 0.574,1248 1.519,1249 1.197,1250 1.123,1251 1.437,1252 1.427,1253 0.555,1254 1.467,1255 1.097,1256 1.017,1257 1.354,1258 1.406,1259 0.356,1260 1.403,1261 4.263,1263 5.645,1264 3.045,1265 7.229,1266 5.533,1267 8.911,1268 7.766,1269 10.647,1271 5.041,1276 9.865,1278 2.333,1279 5.578,1282 1.307,1289 33.654,1290 83.765,1291 204.012,1292 244.277,1293 263.928,1294 267.928,1295 267.928,1296 55.211,1297 8.373,1298 106.55,1299 106.55,1300 28,1301 13.192,1302 4.585,1303 3.755,1304 43.06,1305 101,1306 117,1307 0.207,1308 202.59,1309 344.88,1310 486.08,1311 46271,1313 21.861,1314 0.705,1315 0.551,1316 21.861,1317 17.08,1318 14.901,1319 0.426,1320 0.273,1321 9.374,1322 14.162,1323 9.101,1324 7.562,1325 14.901,1326 9.566,1327 14.007,1328 0.264,1329 0.138,1330 14.007,1331 7.293,1332 12.624,1333 0.162,1334 0.07,1335 12.624,1336 5.436,1337 11.272,1338 0.099,1339 0.035,1340 11.272,1341 3.935,1342 9.315,1343 0.06,1344 0.017,1345 9.315,1346 2.694,1347 0.308,1348 94.73,1349 0.208,1350 27.921,1351 0.631,1352 176,1353 560.27,1354 198.149,1355 535.425,1356 741.71,1357 500,1358 219,1359 565.187,1360 243.18,1361 569.543,1362 849.4,1363 534,1364 6.627}
{0 CHEMBL586052,1 1.679,2 11.306,3 5.661,4 32.048,5 130.741,6 8.599,7 0.659,8 4.172,9 4.272,10 3.866,11 3.731,12 5.386,13 3.751,14 4.68,15 4.814,16 4.273,17 4.132,18 5.915,19 4.141,20 4.9,21 5.057,22 4.374,23 4.257,24 6.112,25 4.258,26 4.986,27 5.158,28 4.407,29 4.271,30 6.287,31 4.276,32 5.014,33 5.195,34 4.443,35 4.34,36 6.181,37 4.337,38 5.061,39 5.231,40 4.461,41 4.396,42 6.278,43 4.386,44 5.084,45 5.258,46 4.429,47 4.374,48 6.33,49 4.36,50 5.053,51 5.229,52 4.328,53 4.275,54 6.362,55 4.253,56 0.114,57 0.912,58 8.16,59 4.573,60 8.777,61 4.985,62 0.481,63 1.499,64 16.36,65 7.656,66 23.724,67 8.603,68 0.542,69 1.825,70 22.606,71 9.884,72 49.185,73 11.228,74 0.808,75 1.922,76 26.496,77 10.028,78 91.42,79 11.428,80 0.696,81 1.951,82 27.156,83 10.33,84 41.534,85 12.393,86 0.671,87 2.053,88 27.791,89 11.233,90 55.54,91 12.888,92 0.727,93 2.106,94 29.143,95 11.758,96 62.286,97 13.209,98 0.824,99 1.968,100 29.471,101 11.826,102 80.307,103 13.229,104 18,105 60,106 0.268,107 0.594,108 0.721,109 0.836,110 0.863,111 0.863,112 3.617,113 0.823,114 -5.4,115 -5.28,116 -4.93,118 48.2,123 1,124 1,138 13,139 2,140 3,143 1,147 1,148 2,153 1,154 1,157 1,167 13,170 5,171 4,173 3,178 12,181 3,182 9,184 1,188 6,191 5,192 13,195 1,197 1,199 1,203 4,204 15,206 1,208 2,211 4,214 1,215 17,220 3,223 7,227 1,228 17,233 4,235 6,239 1,240 14,243 1,245 4,247 4,251 1,252 8,257 1,260 8,264 2332,265 24.8,266 24.8,267 24.8,268 24.8,269 24.8,270 21.43,271 24.586,272 14.433,273 25.366,274 20.213,275 20.213,276 20.213,277 20.213,278 20.213,279 14.973,280 28.435,281 6.812,282 21.106,283 4.128,284 2.09,285 1.294,286 0.578,287 0.406,288 0.406,289 4.334,294 1,295 904,296 3,299 119.871,300 370.711,302 97.879,303 117.947,306 159.129,307 1.694,308 42.879,311 0.75,312 0.67,313 1,314 0.4,316 1,317 1,318 0.69,319 79,320 407,321 4.867,322 3.874,323 7.217,324 4.405,325 3.472,326 4.834,327 1.718,328 12.797,329 3.245,330 4.433,331 3.479,332 6.846,333 4.087,334 3.135,335 4.018,336 1.008,337 11.372,338 2.984,339 4.112,340 3.359,341 6.221,342 3.706,343 2.743,344 3.717,345 0.86,346 9.144,347 2.647,348 4.003,349 2.98,350 6.086,351 3.631,352 2.663,353 3.493,354 0.692,355 8.736,356 2.577,357 3.859,358 2.927,359 5.726,360 3.431,361 2.455,362 3.381,363 0.076,364 7.479,365 2.378,366 3.659,367 2.791,368 5.305,369 3.255,370 2.29,371 2.983,373 6.757,374 2.202,375 3.537,376 2.621,377 5.19,378 3.13,379 2.171,380 2.829,382 6.169,383 2.058,384 3.293,385 2.296,386 5.078,387 2.879,388 1.925,389 2.51,391 5.84,392 1.821,393 3.067,394 2.072,395 4.968,396 2.585,397 1.64,398 2.258,400 5.136,401 1.541,402 2.917,403 1.672,404 4.483,405 2.469,406 1.49,407 2.086,409 4.069,410 1.464,411 2.91,412 1.58,413 4.235,414 2.458,415 1.472,416 2.073,417 3.431,418 1.436,419 2.782,420 1.418,421 3.761,422 2.266,423 1.318,424 1.891,425 3.133,426 1.242,427 2.618,428 1.319,429 3.664,430 2.101,431 1.13,432 1.659,433 2.933,434 1.09,435 2.5,436 1.062,437 3.532,438 2,439 1,440 1.5,441 2.275,442 1,443 2.5,444 1,445 3.435,446 2,447 1,448 1.5,449 2.136,450 1,451 16.786,452 0.466,453 0.884,454 0.025,455 53,456 1.472,457 28,458 0.778,459 25,460 0.694,461 27.783,462 0.772,463 36.614,464 0.654,465 46.739,466 1.298,467 10.867,468 0.302,469 6.679,470 0.186,471 0.087,473 0.399,477 1,478 0.692,479 1.209,480 0.63,481 1.012,482 0.528,483 0.847,484 0.695,485 0.924,486 0.742,487 0.877,488 0.557,489 0.84,490 0.923,491 1.162,492 0.87,493 1.048,494 0.926,495 0.97,496 0.973,497 1.006,498 0.936,499 0.918,500 0.841,501 0.905,502 0.77,503 0.877,504 0.834,505 0.84,506 0.59,507 0.831,508 0.923,509 0.924,510 0.944,511 0.945,512 0.822,513 0.936,514 1.071,515 0.993,516 1.048,517 1.033,518 1.001,519 1.024,520 1.137,521 1.033,522 1.114,523 1.129,524 1.164,525 1.12,526 6,527 0.161,528 4,529 2.889,530 2.901,531 1.838,532 1.273,533 1.044,534 0.643,535 0.482,536 17782,537 52922,538 2.168,539 35.7,541 18,542 1,544 1,549 1.784,550 2.038,551 3.411,552 -0.355,558 94.027,559 1.679,560 3.718,561 4.513,562 5.229,563 5.401,564 5.401,565 2.916,566 4.837,567 5.136,568 3.578,569 2254.24,570 9.089,571 33664.8,576 325.212,577 1.382,578 5.107,579 0.146,580 0.005,581 0.067,582 0.044,583 0.044,584 0.026,585 0.018,586 0.016,587 0.011,588 0.011,589 0.388,590 0.17,591 0.75,592 0.639,593 190.923,594 -0.054,595 -0.214,596 0.054,597 -0.093,598 -0.051,599 -0.016,600 0.114,601 0.079,602 0.05,603 0.035,604 0.032,605 0.014,606 -0.016,607 -0.146,608 0.007,609 -0.106,610 -0.067,611 -0.064,612 0.005,613 -0.024,614 -0.011,615 -0.005,616 0.064,617 -0.009,618 0.013,619 0.035,620 0.068,621 0.07,622 0.017,623 0.086,624 -0.081,625 -0.004,626 -0.049,627 -0.013,628 -0.044,629 -0.015,630 -0.107,631 -0.026,632 -0.117,633 -0.085,634 -0.068,635 -0.093,636 -0.049,637 -0.103,638 -0.134,639 -0.161,640 -0.028,641 -0.166,642 2.213,643 6.027,644 0.833,645 37.321,646 1.019,647 1.121,648 4.168,649 17.372,650 0.704,651 3.738,652 4.111,653 4.477,654 4.852,655 5.182,656 5.421,657 5.697,658 5.951,659 6.161,660 6.301,661 6.644,662 0.694,663 481.52,664 3.738,665 5.313,666 6.209,667 7.13,668 8.052,669 8.989,670 9.925,671 10.871,672 11.817,673 12.77,674 8.9,681 2,682 2,684 1,689 1,690 14,691 1,695 8,696 1,697 27,714 1,715 1,716 56,718 29,719 3,720 41,722 61,723 27,724 23,725 5,726 13,727 1,728 6,729 9,731 1,740 25,741 2,744 2,749 2,753 2,758 1,760 20,761 7,762 1,763 9,766 2,769 5,772 1,775 0.667,776 3,793 2,794 4,796 1,797 1,800 1,819 4,823 1,825 1,827 36,833 1,834 1,835 1,838 1,849 1,850 5.4,853 2,855 1,858 17.667,859 10.61,860 7.806,861 3.194,863 4.099,864 1.461,865 1.055,866 5.499,867 12.995,868 4.052,869 4.714,870 5.386,871 6.081,872 6.693,873 7.189,874 7.773,875 8.289,876 8.797,877 9.201,878 0.875,879 65,880 13.364,881 5.966,882 7.912,883 24.919,884 20.899,885 2.412,886 86.833,890 223.651,891 186.828,892 41.106,894 61.29,895 14.96,897 186.828,898 284.941,899 56.066,900 10.883,901 23.241,902 132.239,903 71.78,904 38.964,905 38.848,906 211.88,908 223.651,909 227.934,910 76.25,913 238.611,914 61.29,917 27.713,918 183.436,919 16.786,921 238.611,922 102.396,923 186.828,926 223.651,927 43.706,928 149.432,929 18.011,930 93.035,931 223.651,932 117.356,933 186.828,935 0.586,936 0.356,937 0.206,938 0.121,939 32,940 14,941 0.082,942 5,943 2,944 1.133,945 4.428,946 389.376,947 0.133,948 30,949 178.117,954 22.378,955 8.846,956 3.762,957 0.409,958 114.17,959 24.712,960 4.788,964 3.684,965 1.836,966 18.011,967 527.835,968 56.5,973 25.856,977 -1.089,980 57.072,981 62.781,983 0.289,984 0.64,985 0.777,986 0.9,987 0.93,988 0.93,989 5.307,990 1.925,991 6.213,992 6.169,993 4.796,994 5.403,995 2.34,996 7.106,997 4.708,998 6.541,999 1.64,1000 7.816,1001 5.84,1002 4.443,1003 5.263,1004 1.305,1005 8.157,1006 4.289,1007 7.873,1008 1.49,1009 9.522,1010 5.136,1011 6.457,1012 7.675,1013 2.795,1014 11.346,1015 6.269,1016 9.244,1017 1.472,1018 11.291,1019 4.069,1020 6.957,1021 8.404,1022 2.487,1023 13.27,1024 6.688,1025 10.651,1026 1.318,1027 13.102,1028 3.431,1029 8.442,1030 10.28,1031 3.554,1032 15.996,1033 8.138,1034 12.084,1035 1.13,1036 14.942,1037 3.133,1038 9.334,1039 11.433,1040 3.65,1041 18.276,1042 8.943,1043 13.54,1044 1,1045 16.804,1046 2.933,1047 10.627,1048 13.102,1049 4.483,1050 20.857,1051 10.191,1052 3.472,1053 1,1054 18.683,1055 2.275,1056 11.698,1057 14.468,1058 4.787,1059 23.283,1060 11.179,1061 3.135,1062 12.797,1063 20.576,1064 2.136,1065 12.928,1066 16.059,1067 5.491,1068 25.822,1069 12.352,1070 2.743,1071 11.372,1072 22.48,1073 4.834,1074 14.081,1075 17.528,1076 5.903,1077 28.308,1078 13.426,1079 2.663,1080 9.144,1081 24.394,1082 4.018,1083 15.295,1084 19.094,1085 6.537,1086 30.837,1087 14.577,1088 2.455,1089 8.736,1090 26.315,1091 3.717,1092 16.485,1093 20.615,1094 7.006,1095 33.349,1096 15.691,1097 2.29,1098 7.479,1099 28.242,1100 3.493,1101 17.701,1102 22.176,1103 7.6,1104 35.878,1105 16.838,1106 2.171,1107 6.757,1108 30.175,1109 3.381,1110 18.91,1111 23.722,1112 8.1,1113 38.402,1114 17.974,1115 16503,1116 28655,1117 27.857,1118 39.421,1119 63.497,1120 65.333,1121 65.301,1122 62.781,1123 62.755,1124 85.202,1125 8.707,1126 189.949,1127 60.118,1128 5.817,1129 5.874,1130 7.019,1131 5.493,1132 5.472,1133 7.834,1134 3.027,1135 20.595,1136 5.245,1137 15.975,1138 1.549,1139 1.593,1140 1.593,1141 1.531,1142 1.531,1143 2.078,1144 0.212,1145 4.633,1146 1.466,1147 4.228,1148 4.276,1149 4.215,1150 4.056,1151 8.201,1152 4.088,1153 3.921,1154 3.954,1155 3.865,1156 3.85,1157 7.447,1158 3.845,1159 3.863,1160 3.894,1161 3.811,1162 3.79,1163 7.411,1164 3.789,1165 3.857,1166 3.881,1167 3.8,1168 3.747,1169 5.074,1170 3.763,1171 3.586,1172 3.629,1173 3.547,1174 3.356,1175 4.815,1176 3.397,1177 3.249,1178 3.315,1179 3.133,1180 3.021,1181 4.748,1182 3.031,1183 3.209,1184 3.261,1185 3.065,1186 2.969,1187 4.614,1188 2.979,1189 3.086,1190 3.124,1191 3.057,1192 2.864,1193 4.385,1194 2.909,1195 0.119,1196 0.094,1197 0.176,1198 0.107,1199 0.085,1200 4.867,1201 0.118,1202 3.874,1203 0.042,1204 7.217,1205 0.312,1206 4.405,1207 0.079,1208 3.472,1209 4.834,1210 1.718,1211 12.797,1212 3.245,1213 1.946,1214 1.921,1215 2.042,1216 2.058,1217 1.169,1218 2.048,1219 1.915,1220 1.885,1221 2.028,1222 2.024,1223 1.147,1224 2.023,1225 1.859,1226 1.835,1227 1.965,1228 1.961,1229 1.05,1230 1.961,1231 1.694,1232 1.66,1233 1.747,1234 1.898,1235 0.871,1236 1.864,1237 1.443,1238 1.381,1239 1.573,1240 1.708,1241 0.682,1242 1.657,1243 1.338,1244 1.295,1245 1.53,1246 1.537,1247 0.576,1248 1.535,1249 1.197,1250 1.124,1251 1.432,1252 1.507,1253 0.568,1254 1.505,1255 1.118,1256 1.063,1257 1.327,1258 1.354,1259 0.38,1260 1.352,1261 4.419,1263 5.778,1264 3.045,1265 7.34,1266 5.533,1267 9,1268 7.766,1269 10.717,1271 1.571,1273 13.689,1277 0.243,1278 2.426,1279 5.607,1282 1.448,1289 38.849,1290 94.027,1291 208.194,1292 252.742,1293 292.847,1294 302.457,1295 302.457,1296 65.735,1297 8.896,1298 86.32,1299 86.32,1300 34,1301 13.259,1302 4.907,1303 4.044,1304 48.535,1305 141,1306 162,1307 0.169,1308 231.578,1309 397.48,1310 556.811,1311 89958,1312 1.8,1313 24.811,1314 0.689,1315 0.533,1316 23.941,1317 19.182,1318 17.546,1319 0.428,1320 0.274,1321 11.05,1322 16.77,1323 10.85,1324 8.957,1325 17.152,1326 11.248,1327 16.012,1328 0.267,1329 0.139,1330 15.39,1331 8.314,1332 14.281,1333 0.164,1334 0.071,1335 13.87,1336 6.152,1337 12.778,1338 0.101,1339 0.035,1340 12.626,1341 4.485,1342 10.999,1343 0.062,1344 0.018,1345 10.769,1346 3.187,1347 0.256,1348 110.804,1349 0.189,1350 32.02,1351 0.496,1352 202,1353 670.231,1354 226.21,1355 619.51,1356 852.97,1357 580,1358 248,1359 641.842,1360 273.928,1361 641.39,1362 955.55,1363 604,1364 5}
{0 CHEMBL601719,1 1.778,2 11.767,3 3.694,4 13.646,5 118.112,6 8.661,7 0.515,8 4.068,9 4.188,10 3.755,11 3.612,12 5.194,13 3.597,14 4.613,15 4.779,16 4.164,17 4.02,18 5.709,19 3.988,20 4.9,21 5.103,22 4.332,23 4.171,24 6.028,25 4.108,26 4.921,27 5.125,28 4.366,29 4.168,30 6.033,31 4.081,32 4.893,33 5.122,34 4.105,35 4.074,36 6.038,37 3.981,38 4.725,39 4.942,40 4.013,41 3.993,42 5.803,43 3.908,44 4.692,45 4.901,46 4.129,47 3.992,48 5.855,49 3.904,50 4.731,51 4.963,52 3.976,53 3.926,54 5.886,55 3.828,56 0.124,57 0.843,58 8.72,59 4.5,60 12.631,61 5.562,62 0.295,63 1.327,64 18.794,65 7.839,66 27.206,67 9.848,68 0.724,69 1.546,70 32.857,71 10.809,72 68.014,73 13.474,74 0.761,75 1.529,76 41.123,77 11.496,78 68.091,79 14.309,80 0.89,81 1.468,82 39.648,83 11.066,84 85.139,85 14.164,86 0.537,87 1.357,88 25.281,89 9.144,90 52.019,91 11.785,92 0.463,93 1.286,94 27.552,95 9.058,96 51.292,97 12.149,98 0.596,99 1.34,100 30.777,101 9.101,102 68.553,103 11.935,104 26,105 47,106 0.297,107 0.679,108 0.838,109 0.866,110 0.866,111 0.866,112 3.44,113 0.955,114 -4.9,115 -4.8,116 -4.51,118 40.4,119 1,120 2,124 2,126 2,138 3,139 3,140 4,141 2,143 1,147 1,158 1,159 1,160 1,161 1,167 3,171 8,172 1,173 1,175 2,178 7,181 1,182 7,183 1,184 1,186 1,188 3,190 1,192 6,195 1,197 1,199 9,201 1,203 2,204 3,206 1,208 3,211 5,213 3,214 2,220 1,223 7,228 5,230 2,231 2,233 4,235 4,237 3,240 7,245 2,247 4,249 1,255 1,257 2,260 1,262 2,264 1486,265 20.068,266 20.068,267 20.068,268 20.068,269 20.068,270 17.901,271 23.489,272 11.629,273 20.687,274 16.228,275 16.228,276 16.228,277 16.228,278 16.228,279 13.008,280 28.517,281 5.49,282 17.389,283 3.922,284 1.637,285 0.683,286 0.515,287 0.515,288 0.515,289 4.132,290 2,293 1,294 1,295 762,296 3,299 82.892,300 310.356,307 1.916,308 36.219,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 65.667,320 353,321 4.492,322 3.623,323 6.78,324 4.095,325 3.167,326 4.165,327 1.151,328 10.939,329 2.952,330 4.382,331 3.179,332 6.323,333 3.994,334 3.027,335 4.065,336 0.4,337 9.687,338 2.88,339 4.13,340 3.043,341 6.112,342 3.767,343 2.822,344 3.69,346 8.943,347 2.668,348 3.736,349 2.892,350 5.875,351 3.479,352 2.518,353 3.005,355 8.103,356 2.407,357 3.581,358 2.654,359 5.572,360 3.2,361 2.29,362 2.894,364 6.876,365 2.059,366 3.222,367 2.472,368 4.891,369 2.845,370 1.948,371 2.416,373 5.281,374 1.798,375 3.117,376 2.103,377 4.634,378 2.796,379 1.869,380 2.251,382 4.921,383 1.589,384 2.889,385 2.021,386 4.349,387 2.425,388 1.518,389 2.029,391 4.026,392 1.354,393 2.657,394 1.627,395 4.116,396 2.364,397 1.414,398 1.69,400 3.494,401 1.34,402 2.538,403 1.564,404 4.032,405 2.151,406 1.24,407 1.546,409 3.212,410 1.09,411 2.225,412 1.077,413 3.466,414 1.984,415 1,416 1.145,417 2.429,418 0.983,419 2.076,420 1,421 3.263,422 1.902,423 0.934,424 1,425 2.136,426 0.902,427 2,428 0.881,429 3.247,430 1.598,431 0.666,432 0.949,433 1.634,434 0.619,435 1.459,436 0.775,437 3.046,438 1.08,439 0.219,440 0.257,441 0.504,442 0.165,443 1.427,444 0.676,445 2.718,446 0.986,447 0.188,448 0.224,449 0.427,450 0.141,451 14.548,452 0.485,453 0.822,454 0.027,455 36.75,456 1.225,457 17,458 0.567,459 19.75,460 0.658,461 28.716,462 0.957,463 32.852,464 0.632,465 28.006,466 0.934,467 7.035,468 0.234,469 7.401,470 0.247,471 0.18,473 0.371,477 1,478 0.701,479 1.135,480 0.571,481 0.917,482 0.649,483 0.868,484 0.853,485 1.106,486 0.64,487 0.903,488 0.585,489 0.877,490 1.005,491 0.976,492 0.807,493 0.867,494 0.766,495 0.881,496 0.945,497 0.998,498 0.985,499 1.072,500 0.813,501 1.043,502 0.921,503 0.856,504 1.083,505 1.014,506 0.836,507 1.005,508 0.936,509 1.017,510 0.727,511 0.859,512 1.02,513 0.946,514 0.555,515 1.045,516 0.845,517 1.106,518 0.625,519 1.05,520 0.977,521 0.996,522 1.025,523 1.007,524 0.917,525 1.025,526 6,527 0.18,528 4.222,529 2.25,530 1.829,531 1.039,532 0.652,533 0.438,534 0.396,535 0.221,536 12062,537 37175,538 2.067,539 42.3,541 9,542 1,543 2,544 3,546 3,547 4,549 1.728,550 1.915,551 3.52,552 0.933,554 1,558 92.467,559 1.778,560 4.063,561 5.018,562 5.186,563 5.186,564 5.186,565 2.94,566 4.707,567 4.88,568 3.698,569 1608.53,570 8.51,571 22407.8,573 1,576 296.423,577 1.475,578 4.828,579 0.182,580 0.007,581 0.09,582 0.046,583 0.041,584 0.026,585 0.017,586 0.011,587 0.012,588 0.008,589 0.44,590 0.17,591 1,592 0.594,593 154.477,594 -0.04,595 -0.029,596 0.011,597 0.004,598 -0.063,599 0.028,600 -0.065,601 -0.082,602 0.05,603 0.021,604 0.049,605 0.044,606 0.001,607 -0.002,608 0.076,609 0.088,610 0.091,611 0.07,612 0.03,613 -0.094,614 0.057,615 -0.084,616 -0.004,617 -0.068,618 0.062,619 0.078,620 -0.087,621 -0.045,622 0.073,623 -0.029,624 -0.048,625 -0.008,626 0.019,627 0.079,628 -0.097,629 0.015,630 0.159,631 -0.124,632 0.086,633 -0.128,634 0.121,635 -0.058,636 -0.027,637 -0.018,638 -0.059,639 -0.047,640 0.044,641 -0.054,642 2.225,643 5.882,644 0.767,645 28.804,646 1.016,647 1.136,648 3.666,649 13.438,650 0.688,651 3.526,652 3.871,653 4.159,654 4.394,655 4.575,656 4.615,657 4.71,658 4.804,659 4.927,660 5.011,661 7.009,662 0.656,663 450.38,664 3.526,665 5.081,666 5.943,667 6.825,668 7.7,669 8.585,670 9.465,671 10.35,672 11.232,673 12.119,674 9.6,676 1,678 1,682 1,684 2,690 6,691 2,695 8,696 1,697 17,708 1,714 1,715 3,716 52,718 17,719 1,720 33,722 55,723 21,724 14,725 4,726 2,728 4,729 4,730 2,732 1,735 3,738 4,740 14,741 7,757 1,758 1,760 22,761 6,762 3,763 9,764 2,769 5,775 1,776 1,785 1,787 1,793 1,794 3,815 1,819 4,823 1,824 2,825 1,827 30,828 1,833 4,834 1,835 1,837 2,849 3,850 1.9,855 1,858 15.667,859 9.445,860 6.528,861 3.151,863 3.154,864 1.409,865 0.991,866 6.487,867 10.871,868 3.75,869 4.36,870 4.934,871 5.467,872 5.916,873 6.163,874 6.458,875 6.804,876 7.172,877 7.457,878 0.875,879 49,880 11.117,881 4.833,882 7.841,883 21.013,884 17.484,885 2.341,886 70.222,889 1,890 223.651,891 106.927,892 86.133,893 78.297,894 11,895 14.96,897 106.927,898 312.948,899 101.093,900 8.825,901 9.28,902 88.384,903 56.991,904 61.794,905 29.059,906 188.338,907 78.297,908 223.651,909 193.06,910 25.96,911 78.297,913 156.213,914 93.398,917 55.988,918 103.624,919 111.746,921 238.611,922 97.133,923 185.224,926 223.651,927 42.531,928 66.173,929 18.011,930 170.603,931 223.651,932 112.093,933 185.224,935 0.591,936 0.355,937 0.186,938 0.097,939 23,940 11,941 0.091,942 5,944 1,945 4.095,946 269.596,948 23,949 143.207,954 21.378,955 9.103,956 4.597,958 110.316,959 9.963,960 8.774,964 2.383,965 2.002,966 50.908,967 520.968,968 41.5,980 52.832,981 59.081,983 0.312,984 0.713,985 0.88,986 0.91,987 0.91,988 0.91,989 5.006,990 1.518,991 5.943,992 4.921,993 4.554,994 5.047,995 1.378,996 6.772,997 4.416,998 6.215,999 1.414,1000 7.521,1001 4.026,1002 4.205,1003 4.902,1005 7.711,1006 3.965,1007 7.529,1008 1.24,1009 9.2,1010 3.494,1011 6.172,1012 7.234,1013 1.517,1014 10.815,1015 5.925,1016 8.879,1017 1,1018 10.935,1019 3.212,1020 6.635,1021 7.908,1023 12.566,1024 6.288,1025 10.262,1026 0.934,1027 12.707,1028 2.429,1029 8.079,1030 9.719,1031 1.732,1032 15.186,1033 7.721,1034 11.666,1035 0.666,1036 14.503,1037 2.136,1038 8.901,1039 10.762,1041 17.27,1042 8.451,1043 13.086,1044 0.219,1045 16.317,1046 1.634,1047 10.146,1048 12.359,1049 1.968,1050 19.721,1051 9.669,1052 3.167,1053 0.188,1054 18.144,1055 0.504,1056 11.131,1057 13.581,1059 21.955,1060 10.571,1061 3.027,1062 10.939,1063 19.981,1064 0.427,1065 12.298,1066 15.081,1067 2.214,1068 24.345,1069 11.697,1070 2.822,1071 9.687,1072 21.827,1073 4.165,1074 13.358,1075 16.392,1077 26.648,1078 12.681,1079 2.518,1080 8.943,1081 23.679,1082 4.065,1083 14.496,1084 17.846,1085 2.468,1086 29.02,1087 13.767,1088 2.29,1089 8.103,1090 25.537,1091 3.69,1092 15.591,1093 19.203,1095 31.358,1096 14.791,1097 1.948,1098 6.876,1099 27.4,1100 3.005,1101 16.72,1102 20.635,1103 2.727,1104 33.727,1105 15.862,1106 1.869,1107 5.281,1108 29.267,1109 2.894,1110 17.833,1111 22.017,1113 36.084,1114 16.905,1115 11474,1116 20405,1117 21.789,1118 35.75,1119 50.135,1120 51.399,1121 51.655,1122 49.79,1123 49.642,1124 62.656,1125 3.102,1126 145.223,1127 45.89,1128 5.492,1129 5.623,1130 6.582,1131 5.171,1132 5.167,1133 7.165,1134 2.302,1135 18.081,1136 4.952,1137 15.841,1138 1.519,1139 1.558,1140 1.565,1141 1.509,1142 1.504,1143 1.899,1144 0.094,1145 4.401,1146 1.391,1147 4.05,1148 4.098,1149 4.126,1150 3.928,1151 8.201,1152 3.938,1153 3.938,1154 3.957,1155 3.987,1156 3.861,1157 5.192,1158 3.864,1159 3.827,1160 3.875,1161 3.763,1162 3.681,1163 4.961,1164 3.689,1165 3.634,1166 3.702,1167 3.592,1168 3.445,1169 4.932,1170 3.463,1171 3.395,1172 3.458,1173 3.538,1174 3.223,1175 4.616,1176 3.218,1177 3.111,1178 3.206,1179 3.258,1180 2.941,1181 4.59,1182 2.91,1183 3.057,1184 3.157,1185 3.11,1186 2.847,1187 4.375,1188 2.83,1189 2.939,1190 3.019,1191 2.927,1192 2.811,1193 4.324,1194 2.829,1195 0.136,1196 0.11,1197 0.205,1198 0.124,1199 0.096,1200 4.492,1201 0.126,1202 3.623,1203 0.035,1204 6.78,1205 0.331,1206 4.095,1207 0.089,1208 3.167,1209 4.165,1210 1.151,1211 10.939,1212 2.952,1213 1.91,1214 1.897,1215 2.039,1216 2.04,1217 1.392,1218 2.043,1219 1.856,1220 1.825,1221 1.967,1222 2.012,1223 1.171,1224 2.004,1225 1.815,1226 1.758,1227 1.903,1228 1.934,1229 1.02,1230 1.932,1231 1.424,1232 1.38,1233 1.675,1234 1.62,1235 0.825,1236 1.637,1237 1.333,1238 1.272,1239 1.513,1240 1.594,1241 0.787,1242 1.566,1243 1.236,1244 1.142,1245 1.505,1246 1.503,1247 0.639,1248 1.494,1249 1.153,1250 1.064,1251 1.416,1252 1.376,1253 0.494,1254 1.429,1255 0.85,1256 0.811,1257 1.17,1258 1.191,1259 0.185,1260 1.198,1261 4.205,1263 5.541,1264 2.398,1265 7.071,1266 4.595,1267 8.686,1268 6.605,1269 10.345,1271 1.73,1272 12.314,1273 13.882,1275 6.018,1277 4.068,1278 3.356,1279 5.975,1281 -0.243,1289 34.128,1290 92.467,1291 211.298,1292 260.913,1293 269.668,1294 269.668,1295 269.668,1296 62.812,1297 7.717,1298 77.99,1299 77.99,1300 23,1301 12.651,1302 4.17,1303 3.248,1304 47.079,1305 126,1306 128,1307 0.181,1308 215.049,1309 368.88,1310 516.478,1311 25301,1312 5.8,1313 21.25,1314 0.708,1315 0.597,1316 21.38,1317 17.92,1318 14.436,1319 0.437,1320 0.318,1321 9.662,1322 13.292,1323 9.412,1324 7.725,1325 14.602,1326 10.501,1327 13.223,1328 0.281,1329 0.172,1330 13.459,1331 8.1,1332 11.471,1333 0.182,1334 0.095,1335 11.538,1336 6.003,1337 9.315,1338 0.116,1339 0.054,1340 10.096,1341 4.308,1342 7.149,1343 0.074,1344 0.027,1345 7.001,1346 2.566,1347 0.285,1348 96.919,1349 0.214,1350 28.367,1351 0.491,1352 160,1353 520.834,1354 207.403,1355 537.371,1356 710.32,1357 500,1358 190,1359 479.673,1360 233.7,1361 495.485,1362 729.49,1363 467,1364 5}
{0 CHEMBL607707,1 1.741,2 12.182,3 4.455,4 19.85,5 127.416,6 8.357,7 0.486,8 4.115,9 4.23,10 3.765,11 3.654,12 5.338,13 3.648,14 4.613,15 4.785,16 4.116,17 4.002,18 5.798,19 3.984,20 4.834,21 5.005,22 4.271,23 4.151,24 6.105,25 4.119,26 4.919,27 5.142,28 4.193,29 4.161,30 6.08,31 4.103,32 4.857,33 5.044,34 4.198,35 4.183,36 6.093,37 4.131,38 4.91,39 5.104,40 4.252,41 4.211,42 6.133,43 4.168,44 4.947,45 5.136,46 4.283,47 4.194,48 6.265,49 4.149,50 4.882,51 5.08,52 4.226,53 4.09,54 6.218,55 4.042,56 0.095,57 0.876,58 9.303,59 4.733,60 12.354,61 5.74,62 0.345,63 1.33,64 19.526,65 7.606,66 28.764,67 9.51,68 0.587,69 1.591,70 27.41,71 9.828,72 65.215,73 11.813,74 0.637,75 1.647,76 32.014,77 10.947,78 76.635,79 14.371,80 0.634,81 1.574,82 27.665,83 10.338,84 66.36,85 13.351,86 0.483,87 1.668,88 27.734,89 10.532,90 58.974,91 13.507,92 0.7,93 1.663,94 30.368,95 10.426,96 101.477,97 12.75,98 0.67,99 1.574,100 32.228,101 10.268,102 93.011,103 12.735,104 67,105 48,106 0.284,107 0.671,108 0.83,109 0.87,110 0.87,111 0.87,112 3.532,113 0.903,114 -3.5,115 -3.48,116 -3.32,118 42.9,119 1,123 2,124 2,132 2,138 5,139 2,140 6,141 1,142 1,153 2,167 3,171 8,173 1,175 6,178 4,182 4,184 1,186 5,188 4,191 2,192 3,195 2,197 2,199 8,203 2,204 4,206 2,207 1,208 2,211 8,215 8,218 1,223 8,227 1,228 6,231 2,233 3,235 4,239 2,240 7,245 3,247 4,251 1,252 4,257 1,260 2,264 2119,265 21.963,266 21.963,267 21.963,268 21.963,269 21.963,270 19.446,271 30.281,272 13.049,273 22.598,274 17.174,275 17.174,276 17.174,277 17.174,278 17.174,279 13.194,280 40.331,281 6.062,282 18.194,283 4.066,284 1.687,285 0.712,286 0.469,287 0.469,288 0.469,289 4.212,290 1,293 1,294 1,295 829,296 4.301,300 289.302,304 157.841,307 1.785,308 41.916,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 72.333,320 402,321 4.64,322 4.073,323 6.741,324 4.181,325 3.204,326 4.576,327 2.035,328 11.049,329 3.129,330 4.225,331 3.496,332 6.166,333 3.794,334 2.852,335 3.874,336 1.058,337 9.164,338 2.698,339 4.133,340 3.314,341 5.948,342 3.697,343 2.758,344 3.661,345 0.916,346 8.312,347 2.554,348 3.79,349 3.222,350 5.636,351 3.362,352 2.373,353 3.133,354 0.86,355 7.336,356 2.344,357 3.629,358 2.951,359 5.197,360 3.169,361 2.232,362 2.896,363 0.4,364 6.356,365 2.102,366 3.531,367 2.644,368 5.063,369 3.088,370 2.152,371 2.817,372 0.172,373 6.092,374 1.986,375 3.302,376 2.462,377 4.805,378 3.062,379 2.103,380 2.6,382 5.264,383 1.979,384 3.216,385 2.23,386 4.641,387 2.775,388 1.811,389 2.238,391 5.09,392 1.738,393 3.003,394 2.115,395 4.27,396 2.358,397 1.439,398 1.949,400 3.788,401 1.312,402 2.82,403 2.053,404 4.041,405 2.318,406 1.414,407 1.764,409 3.521,410 1.217,411 2.711,412 1.721,413 3.566,414 2.003,415 1.024,416 1.356,417 2.181,418 0.996,419 2.525,420 1.509,421 3.196,422 1.911,423 0.965,424 1.257,425 1.909,426 0.904,427 2.158,428 1.241,429 3.179,430 1.681,431 0.745,432 1.114,433 1.534,434 0.695,435 1.713,436 0.89,437 2.861,438 1.281,439 0.354,440 0.451,441 0.714,442 0.32,443 1.45,444 0.665,445 2.767,446 1.046,447 0.153,448 0.184,449 0.348,450 0.127,451 15.667,452 0.475,453 0.856,454 0.026,455 44.75,456 1.356,457 23.5,458 0.712,459 21.25,460 0.644,461 27.481,462 0.833,463 35.333,464 0.631,465 38.803,466 1.176,467 9.092,468 0.276,469 6.724,470 0.204,471 0.206,473 0.345,477 1,478 0.707,479 1.222,480 0.629,481 1.027,482 0.541,483 0.918,484 0.892,485 1.007,486 0.686,487 0.817,488 0.547,489 0.778,490 1.062,491 1.168,492 0.918,493 1.046,494 0.849,495 0.996,496 0.816,497 0.834,498 0.77,499 0.847,500 0.789,501 0.843,502 0.668,503 0.758,504 0.846,505 0.943,506 0.803,507 0.952,508 0.873,509 0.988,510 0.739,511 0.938,512 0.873,513 0.925,514 1.191,515 0.946,516 0.965,517 0.905,518 1.352,519 0.966,520 1.144,521 1.097,522 1.061,523 1.052,524 1.132,525 0.999,526 7.5,527 0.272,528 3.778,529 2.063,530 2.342,531 1.236,532 1.011,533 0.785,534 0.587,535 0.318,536 13567,537 45041,538 1.976,539 41.1,541 17,543 1,544 2,546 3,549 1.759,550 1.817,551 3.544,552 0.222,554 1,558 97.521,559 1.741,560 4.12,561 5.095,562 5.338,563 5.338,564 5.338,565 3.052,566 4.923,567 5.008,568 3.722,569 1965.4,570 8.815,571 29265.6,576 325.212,577 1.52,578 4.954,579 0.214,580 0.009,581 0.079,582 0.04,583 0.047,584 0.024,585 0.019,586 0.015,587 0.013,588 0.008,589 0.467,590 0.33,591 0.88,592 1.798,593 174.212,594 -0.056,595 -0.156,596 0.017,597 -0.064,598 -0.033,599 -0.012,600 -0.058,601 -0.003,602 0.097,603 0.129,604 0.047,605 0.15,606 -0.044,607 -0.138,608 -0.014,609 -0.075,610 0.005,611 -0.062,612 0.033,613 0.093,614 0.11,615 0.112,617 0.141,618 0.123,619 0.131,620 -0.014,621 0.018,622 0.005,623 0.009,624 -0.056,625 -0.062,626 0.042,627 0.008,628 -0.04,629 0.03,630 -0.142,631 -0.031,632 -0.055,633 0.029,634 -0.15,635 -0.045,636 -0.031,637 -0.134,638 0.007,639 -0.071,640 0.017,641 -0.041,642 2.212,643 5.576,644 0.485,645 38.123,646 1.015,647 1.131,648 2.274,649 5.171,650 0.685,651 3.584,652 3.892,653 4.127,654 4.382,655 4.673,656 4.812,657 4.963,658 5.136,659 5.242,660 5.231,661 7.18,662 0.661,663 467.97,664 3.584,665 5.118,666 5.953,667 6.828,668 7.692,669 8.577,670 9.456,671 10.348,672 11.236,673 12.132,674 8.9,677 1,681 1,682 1,683 1,684 1,689 2,690 6,691 1,695 7,697 17,699 1,709 1,714 1,715 2,716 56,718 20,719 2,720 35,722 58,723 24,724 15,725 7,726 5,727 3,728 3,729 4,730 1,732 1,739 1,740 18,741 5,744 2,749 1,751 2,753 1,757 1,758 1,760 23,761 8,762 2,763 9,764 1,769 5,775 0.667,776 2,787 1,794 3,798 1,807 1,811 2,816 1,819 2,823 3,824 1,825 1,827 33,833 2,834 2,835 1,838 1,842 1,846 1,848 1,849 2,850 3.6,853 1,855 1,858 18.167,859 11.136,860 7.472,861 3.252,863 3.688,864 1.477,865 0.963,866 8.24,867 11.426,868 3.882,869 4.466,870 5.058,871 5.659,872 6.292,873 6.701,874 7.153,875 7.631,876 8.061,877 8.264,878 1,879 52,880 12.176,881 5.094,882 8.008,883 22.506,884 17.572,885 2.508,886 82.778,890 247.193,891 163.042,892 86.991,893 39.149,894 36.145,895 14.96,897 163.042,898 322.487,899 101.951,900 25.618,901 24.709,902 66.334,903 75.008,904 106.28,905 14.96,906 235.422,907 39.149,908 247.193,909 250.032,910 51.105,911 39.149,913 226.84,914 71.458,917 96.92,918 117.374,919 74.887,921 262.153,922 123.136,923 202.19,926 247.193,927 45.441,928 104.123,929 52.623,930 138.098,931 247.193,932 138.096,933 202.19,935 0.572,936 0.324,937 0.171,938 0.101,939 20,940 11,941 0.138,942 8,943 1,944 1.125,945 4.201,946 298.779,947 0.125,948 16,949 162.465,954 24.473,955 11.111,956 6.206,957 1.125,958 138.096,959 9.007,960 4.357,964 1.51,966 36.022,967 587.479,968 47.5,973 12.449,975 3.195,977 -0.318,980 56.836,981 63.346,983 0.3,984 0.71,985 0.877,986 0.919,987 0.919,988 0.919,989 5.119,990 1.811,991 5.943,992 5.264,993 4.575,994 5.153,995 2.696,996 6.744,997 4.47,998 6.345,999 1.439,1000 7.499,1001 5.09,1002 4.205,1003 5.037,1004 0.325,1005 7.636,1006 4.04,1007 7.658,1008 1.414,1009 9.154,1010 3.788,1011 6.159,1012 7.392,1013 3.686,1014 10.725,1015 5.976,1016 9.005,1017 1.024,1018 10.865,1019 3.521,1020 6.567,1021 8.09,1022 0.393,1023 12.433,1024 6.33,1025 10.382,1026 0.965,1027 12.613,1028 2.181,1029 8.017,1030 9.942,1031 4.992,1032 15.062,1033 7.766,1034 11.781,1035 0.745,1036 14.387,1037 1.909,1038 8.794,1039 11.038,1040 0.384,1041 17.137,1042 8.499,1043 13.199,1044 0.354,1045 16.18,1046 1.534,1047 10.044,1048 12.683,1049 6.385,1050 19.603,1051 9.734,1052 3.204,1053 0.153,1054 17.989,1055 0.714,1056 11.005,1057 13.983,1058 0.351,1059 21.848,1060 10.661,1061 2.852,1062 11.049,1063 19.81,1064 0.348,1065 12.176,1066 15.541,1067 7.799,1068 24.258,1069 11.815,1070 2.758,1071 9.164,1072 21.642,1073 4.576,1074 13.228,1075 16.946,1076 0.312,1077 26.582,1078 12.842,1079 2.373,1080 8.312,1081 23.483,1082 3.874,1083 14.371,1084 18.469,1085 9.218,1086 28.976,1087 13.968,1088 2.232,1089 7.336,1090 25.331,1091 3.661,1092 15.468,1093 19.926,1094 0.273,1095 31.337,1096 15.044,1097 2.152,1098 6.356,1099 27.186,1100 3.133,1101 16.606,1102 21.438,1103 10.638,1104 33.728,1105 16.164,1106 2.103,1107 6.092,1108 29.047,1109 2.896,1110 17.726,1111 22.923,1112 0.236,1113 36.107,1114 17.266,1115 13649,1116 25112,1117 22.482,1118 38.347,1119 52.977,1120 56.136,1121 53.867,1122 51.253,1123 51.16,1124 67.74,1125 10.884,1126 145.316,1127 48.201,1128 5.46,1129 6.073,1130 6.503,1131 5.222,1132 5.204,1133 7.576,1134 4.069,1135 18.277,1136 5.129,1137 20.822,1138 1.514,1139 1.604,1140 1.539,1141 1.464,1142 1.462,1143 1.935,1144 0.311,1145 4.152,1146 1.377,1147 4.104,1148 4.129,1149 4.093,1150 4.023,1151 8.201,1152 4.034,1153 3.89,1154 3.912,1155 3.987,1156 3.821,1157 7.43,1158 3.821,1159 3.754,1160 3.812,1161 3.676,1162 3.595,1163 6.82,1164 3.605,1165 3.609,1166 3.655,1167 3.546,1168 3.461,1169 5.001,1170 3.475,1171 3.479,1172 3.546,1173 3.349,1174 3.25,1175 4.857,1176 3.25,1177 3.388,1178 3.448,1179 3.326,1180 3.205,1181 4.608,1182 3.209,1183 3.12,1184 3.191,1185 3.244,1186 2.927,1187 4.421,1188 2.944,1189 3.088,1190 3.155,1191 3.019,1192 2.884,1193 4.368,1194 2.909,1195 0.133,1196 0.116,1197 0.193,1198 0.119,1199 0.092,1200 4.64,1201 0.131,1202 4.073,1203 0.058,1204 6.741,1205 0.316,1206 4.181,1207 0.089,1208 3.204,1209 4.576,1210 2.035,1211 11.049,1212 3.129,1213 2.044,1214 2.024,1215 2.09,1216 2.14,1217 1.241,1218 2.127,1219 1.856,1220 1.836,1221 1.928,1222 1.952,1223 1.048,1224 1.951,1225 1.702,1226 1.652,1227 1.903,1228 1.903,1229 1.035,1230 1.908,1231 1.553,1232 1.515,1233 1.799,1234 1.76,1235 0.936,1236 1.765,1237 1.438,1238 1.363,1239 1.673,1240 1.69,1241 0.708,1242 1.689,1243 1.371,1244 1.305,1245 1.557,1246 1.543,1247 0.633,1248 1.554,1249 1.052,1250 0.99,1251 1.417,1252 1.3,1253 0.469,1254 1.308,1255 0.993,1256 0.938,1257 1.258,1258 1.248,1259 0.311,1260 1.293,1261 4.263,1263 5.572,1265 7.074,1267 8.676,1269 10.338,1271 5.646,1272 5.905,1273 13.576,1277 1.007,1278 5.955,1279 5.701,1282 1.931,1287 9.626,1288 2.106,1289 37.015,1290 97.521,1291 230.742,1292 285.338,1293 298.947,1294 298.947,1295 298.947,1296 85.645,1297 7.738,1298 90.28,1299 90.28,1300 18,1301 12.659,1302 4.392,1303 3.755,1304 63.824,1305 137,1306 165,1307 0.223,1308 235.173,1309 416.16,1310 565.581,1311 23568,1312 3.6,1313 23.957,1314 0.726,1315 0.582,1316 23.587,1317 19.203,1318 15.816,1319 0.452,1320 0.301,1321 10.019,1322 14.844,1323 9.668,1324 8.091,1325 15.694,1326 10.538,1327 14.149,1328 0.295,1329 0.162,1330 14.061,1331 7.772,1332 11.196,1333 0.184,1334 0.08,1335 10.796,1336 4.866,1337 8.993,1338 0.114,1339 0.041,1340 9.163,1341 3.256,1342 7.536,1343 0.071,1344 0.021,1345 7.446,1346 2.187,1347 0.347,1348 102.829,1349 0.211,1350 30.485,1351 0.624,1352 166,1353 591.387,1354 199.045,1355 578.63,1356 759.47,1357 536,1358 192,1359 518.076,1360 222.203,1361 532.639,1362 771.75,1363 497,1364 5.72}
{0 CHEMBL608154,1 1.716,2 8.731,3 2.737,4 7.493,5 98.273,6 8.947,7 0.724,8 3.849,9 3.95,10 3.571,11 3.435,12 5.058,13 3.438,14 4.334,15 4.472,16 3.963,17 3.819,18 5.516,19 3.813,20 4.508,21 4.644,22 4.123,23 3.947,24 5.74,25 3.933,26 4.608,27 4.76,28 4.124,29 3.954,30 5.859,31 3.923,32 4.66,33 4.842,34 4.045,35 3.912,36 5.908,37 3.857,38 4.542,39 4.731,40 4.015,41 3.825,42 5.792,43 3.79,44 4.455,45 4.606,46 3.916,47 3.776,48 5.711,49 3.739,50 4.424,51 4.589,52 3.766,53 3.745,54 5.642,55 3.67,56 0.082,57 0.605,58 5.726,59 3.248,60 6.403,61 3.636,62 0.262,63 0.945,64 12.328,65 5.532,66 21.856,67 6.314,68 0.387,69 1.117,70 16.022,71 6.569,72 29.763,73 7.388,74 0.43,75 1.191,76 17.437,77 7.243,78 35.698,79 8.18,80 0.648,81 1.141,82 26.997,83 8.34,84 64.551,85 9.432,86 0.457,87 1.034,88 23.227,89 7.658,90 51.68,91 8.973,92 0.497,93 0.939,94 18.891,95 6.735,96 47.237,97 7.318,98 0.411,99 0.94,100 16.736,101 6.487,102 39.202,103 7.245,104 18,105 42,106 0.296,107 0.689,108 0.814,109 0.876,110 0.885,111 0.885,112 3.306,113 0.861,114 -2.77,115 -2.78,116 -2.7,118 46.3,119 1,123 1,138 4,139 3,140 3,141 3,142 1,148 2,153 1,167 5,171 5,173 1,175 3,178 5,182 5,184 2,185 1,186 4,188 3,191 1,192 4,195 2,197 5,199 2,203 1,204 4,206 1,208 3,211 2,215 5,218 1,220 1,223 4,227 2,228 5,231 1,233 2,235 6,239 1,240 4,247 7,252 2,260 2,264 1004,265 17.715,266 17.715,267 17.715,268 17.715,269 17.715,270 15.084,271 12.855,272 10.253,273 18.205,274 14.237,275 14.237,276 14.237,277 14.237,278 14.237,279 10.213,280 14.608,281 4.739,282 14.966,283 3.642,284 1.364,285 0.641,286 0.281,287 0.232,288 0.232,289 4.001,290 1,292 1,293 1,294 1,295 496,296 3.082,299 38.409,300 183.441,303 156.923,307 1.157,308 27.105,310 1,311 1,312 1,313 1,314 0.4,316 1,317 1,318 0.77,319 56.333,320 227,321 4.798,322 3.634,323 6.976,324 4.308,325 3.339,326 4.884,327 1.058,328 11.883,329 3.235,330 4.331,331 3.431,332 6.444,333 3.955,334 2.963,335 3.967,336 0.86,337 9.902,338 2.937,339 4.214,340 3.037,341 6.347,342 3.758,343 2.809,344 3.879,346 9.501,347 2.655,348 3.599,349 2.655,350 5.638,351 3.132,352 2.216,353 3.025,355 7.095,356 1.999,357 3.486,358 2.477,359 5.282,360 3.004,361 2.035,362 2.905,364 6.318,365 1.953,366 3.332,367 2.149,368 4.885,369 2.856,370 1.883,371 2.601,373 5.244,374 1.808,375 2.972,376 1.757,377 4.503,378 2.451,379 1.505,380 2.189,382 4.148,383 1.408,384 2.861,385 1.514,386 3.884,387 2.403,388 1.414,389 2.015,391 3.084,392 1.398,393 2.754,394 1.511,395 3.643,396 2.224,397 1.305,398 1.867,400 2.929,401 1.188,402 2.557,403 1.31,404 3.597,405 2.046,406 1.099,407 1.532,409 2.72,410 1.029,411 2.101,412 1.224,413 3.481,414 1.66,415 0.791,416 0.965,417 1.722,418 0.659,419 1.94,420 0.796,421 3.415,422 1.539,423 0.598,424 0.809,425 1.496,426 0.552,427 1.216,428 0.609,429 2.722,430 0.844,431 -0.087,432 -0.104,433 -0.169,434 -0.08,435 1.092,436 0.176,437 2.569,438 0.706,439 -0.288,440 -0.37,441 -0.605,442 -0.226,443 0.965,444 0.042,445 2.438,446 0.502,447 -0.327,448 -0.414,449 -0.753,450 -0.284,451 12.481,452 0.48,453 0.661,454 0.025,455 38,456 1.462,457 20.5,458 0.788,459 17.5,460 0.673,461 19.23,462 0.74,463 26.519,464 0.647,465 28.173,466 1.084,467 7.675,468 0.295,469 4.922,470 0.189,471 0.164,473 0.401,478 0.784,479 1.223,480 0.569,481 0.891,482 0.607,483 0.793,484 0.943,485 1.061,486 0.624,487 0.745,488 0.679,489 0.708,490 0.882,491 1.069,492 0.86,493 0.995,494 0.926,495 0.929,496 1.053,497 1.214,498 0.914,499 1.101,500 1.086,501 1.088,502 1.345,503 0.932,504 1.338,505 1.024,506 1.589,507 1.006,508 1.143,509 0.887,510 0.994,511 0.913,512 1.24,513 0.816,514 1.381,515 0.915,516 1.157,517 1.009,518 1.423,519 1.004,520 1.232,521 1.114,522 1.181,523 1.147,524 1.097,525 1.231,526 4.5,527 0.035,528 3.556,529 2.576,530 1.675,531 1.198,532 0.733,533 0.476,534 0.334,535 0.085,536 7175,537 22170,538 2.101,539 36.6,541 7,543 3,544 2,545 3,549 1.698,550 1.95,551 3.101,552 0.289,553 1,554 1,558 70.346,559 1.716,560 3.994,561 4.717,562 5.077,563 5.126,564 5.126,565 2.459,566 4.47,567 4.674,568 3.241,569 1053.27,570 8.139,571 12656.3,572 1,573 1,575 1,576 219.66,577 1.46,578 4.624,579 0.155,580 0.004,581 0.085,582 0.056,583 0.039,584 0.032,585 0.019,586 0.014,587 0.012,588 0.006,589 0.421,590 0.5,591 1,592 0.777,593 123.913,594 -0.086,595 -0.122,596 0.015,597 -0.022,598 -0.077,599 0.021,600 -0.063,601 -0.006,602 0.092,603 0.161,604 -0.006,605 0.164,606 0.065,607 -0.006,608 -0.016,609 -0.085,610 -0.028,611 -0.068,613 -0.178,614 -0.05,615 -0.184,616 -0.003,617 -0.207,618 -0.072,619 0.022,620 -0.125,621 -0.02,622 -0.109,623 -0.04,624 -0.003,625 0.059,626 0.137,627 0.095,628 0.091,629 0.177,630 -0.073,631 0.04,632 -0.115,633 -0.029,634 -0.111,635 -0.082,636 -0.159,637 -0.143,638 -0.229,639 -0.182,640 -0.087,641 -0.296,642 1.95,643 5.797,644 0.731,645 19.509,646 1.017,647 1.118,648 1.536,649 2.358,650 0.716,651 3.401,652 3.761,653 4.111,654 4.431,655 4.682,656 4.828,657 5.011,658 5.159,659 5.13,660 5.176,661 5.391,662 0.695,663 366.83,664 3.401,665 4.963,666 5.849,667 6.758,668 7.664,669 8.582,670 9.497,671 10.419,672 11.339,673 12.264,674 9.8,681 1,682 1,684 2,689 4,690 7,691 2,692 1,695 5,697 21,704 1,714 1,715 1,716 41,718 22,719 1,720 29,722 44,723 19,724 16,725 5,726 1,727 1,728 4,729 7,730 1,732 1,740 17,741 2,744 1,749 1,753 1,756 1,757 1,760 15,761 5,762 2,763 7,764 1,769 4,775 0.5,776 2,787 2,789 1,793 1,794 3,797 2,819 2,823 2,824 1,827 26,834 1,835 1,849 1,850 4.9,853 1,855 1,858 13.333,859 8.21,860 5.722,861 2.286,863 4.267,864 1.558,865 1.03,866 4.267,867 11.911,868 3.726,869 4.428,870 5.134,871 5.827,872 6.454,873 6.898,874 7.417,875 7.907,876 8.148,877 8.49,878 0.833,879 46,880 9.568,881 4.133,882 7.818,883 17.935,884 14.685,885 2.318,886 60.278,889 1,890 153.024,891 116.337,892 68.367,893 39.149,894 36.145,897 116.337,898 228.318,899 68.367,900 19.708,901 18.011,902 37.905,903 98.734,904 77.517,905 4.288,906 117.711,907 39.149,908 153.024,909 184.705,910 36.145,911 39.149,913 153.024,914 36.145,917 73.52,918 77.613,919 72.72,921 153.024,922 104.512,923 155.486,926 153.024,927 31.582,928 84.756,929 34.796,930 108.865,931 153.024,932 104.512,933 155.486,935 0.585,936 0.365,937 0.209,938 0.111,939 22,940 10,941 0.068,942 3,943 2,944 1.211,945 3.644,946 234.873,947 0.211,948 19,949 122.211,954 16.824,955 6.595,956 2.828,957 3.419,958 87.727,959 12.252,960 8.297,961 3.288,964 2.424,966 34.796,967 413.023,968 40.5,973 12.797,977 -0.283,980 41.687,981 45.847,983 0.32,984 0.745,985 0.88,986 0.948,987 0.957,988 0.957,989 4.965,990 1.414,991 5.855,992 4.148,993 4.443,994 5.115,995 1.552,996 6.737,997 4.353,998 6.216,999 1.305,1000 7.459,1001 3.084,1002 4.111,1003 5.085,1005 7.774,1006 3.994,1007 7.561,1008 1.099,1009 9.166,1010 2.929,1011 6.098,1012 7.48,1013 1.527,1014 10.93,1015 5.95,1016 8.947,1017 0.791,1018 10.933,1019 2.72,1020 6.608,1021 8.306,1023 12.797,1024 6.438,1025 10.368,1026 0.598,1027 12.738,1028 1.722,1029 8.074,1030 10.182,1031 1.53,1032 15.476,1033 7.877,1034 11.814,1035 -0.087,1036 14.569,1037 1.496,1038 8.96,1039 11.408,1041 17.676,1042 8.74,1043 13.28,1044 -0.288,1045 16.418,1046 -0.169,1047 10.233,1048 13.085,1049 1.557,1050 20.199,1051 9.988,1052 3.339,1053 -0.327,1054 18.28,1055 -0.605,1056 11.284,1057 14.5,1059 22.54,1060 11.014,1061 2.963,1062 11.883,1063 20.153,1064 -0.753,1065 12.488,1066 16.102,1067 1.603,1068 25.013,1069 12.192,1070 2.809,1071 9.902,1072 22.034,1073 4.884,1074 13.611,1075 17.604,1077 27.417,1078 13.287,1079 2.216,1080 9.501,1081 23.921,1082 3.967,1083 14.794,1084 19.184,1085 1.663,1086 29.876,1087 14.443,1088 2.035,1089 7.095,1090 25.814,1091 3.879,1092 15.949,1093 20.726,1095 32.311,1096 15.57,1097 1.883,1098 6.318,1099 27.712,1100 3.025,1101 17.13,1102 22.301,1103 1.734,1104 34.77,1105 16.721,1106 1.505,1107 5.244,1108 29.614,1109 2.905,1110 18.301,1111 23.863,1113 37.22,1114 17.863,1115 6867,1116 12194,1117 19.304,1118 29.358,1119 44.37,1120 45.785,1121 46.677,1122 43.997,1123 43.916,1124 61.276,1125 3.837,1126 132.083,1127 41.641,1128 5.642,1129 5.634,1130 6.661,1131 5.348,1132 5.339,1133 7.884,1134 2.117,1135 19.555,1136 5.235,1137 12.522,1138 1.53,1139 1.579,1140 1.61,1141 1.517,1142 1.514,1143 2.113,1144 0.132,1145 4.555,1146 1.436,1147 4.216,1148 4.243,1149 4.223,1150 4.132,1151 7.429,1152 4.143,1153 3.912,1154 3.947,1155 3.867,1156 3.806,1157 5.124,1158 3.816,1159 3.694,1160 3.721,1161 3.806,1162 3.584,1163 4.87,1164 3.593,1165 3.305,1166 3.349,1167 3.407,1168 3.09,1169 4.856,1170 3.114,1171 3.272,1172 3.328,1173 3.202,1174 3.036,1175 4.499,1176 3.053,1177 3.167,1178 3.255,1179 3.078,1180 2.995,1181 4.439,1182 2.984,1183 3.133,1184 3.204,1185 2.954,1186 2.905,1187 3.944,1188 2.913,1189 2.856,1190 2.91,1191 2.875,1192 2.713,1193 3.916,1194 2.704,1195 0.165,1196 0.125,1197 0.241,1198 0.149,1199 0.115,1200 4.798,1201 0.168,1202 3.634,1203 0.036,1204 6.976,1205 0.41,1206 4.308,1207 0.112,1208 3.339,1209 4.884,1210 1.058,1211 11.883,1212 3.235,1213 1.97,1214 1.958,1215 2.014,1216 2.053,1217 1.208,1218 2.042,1219 1.872,1220 1.84,1221 1.971,1222 2.004,1223 1.042,1224 1.994,1225 1.811,1226 1.775,1227 1.886,1228 1.959,1229 0.976,1230 1.947,1231 1.229,1232 1.171,1233 1.573,1234 1.54,1235 0.603,1236 1.547,1237 1.214,1238 1.154,1239 1.552,1240 1.452,1241 0.578,1242 1.47,1243 1.161,1244 1.1,1245 1.302,1246 1.418,1247 0.333,1248 1.406,1249 1.079,1250 1.011,1251 1.275,1252 1.31,1253 0.276,1254 1.314,1255 0.815,1256 0.768,1257 1.003,1258 0.997,1259 0.07,1260 1,1261 4.078,1263 5.425,1264 2.398,1265 6.984,1266 4.844,1267 8.641,1268 7.066,1269 10.349,1271 3.302,1272 6.408,1278 2.923,1279 5.449,1289 28.504,1290 70.346,1291 163.743,1292 193.395,1293 208.15,1294 210.15,1295 210.15,1296 41.403,1297 7.644,1298 79.9,1299 79.9,1300 23,1301 12.77,1302 4.524,1303 3.644,1304 37.718,1305 81,1306 84,1307 0.224,1308 177.68,1309 294.61,1310 425.299,1311 20893,1312 2.4,1313 18.259,1314 0.702,1315 0.573,1316 18.759,1317 14.886,1318 12.597,1319 0.434,1320 0.287,1321 7.855,1322 11.825,1323 7.591,1324 6.302,1325 12.885,1326 8.325,1327 11.359,1328 0.27,1329 0.148,1330 11.73,1331 6.233,1332 10.141,1333 0.169,1334 0.076,1335 10.473,1336 4.58,1337 8.969,1338 0.108,1339 0.04,1340 9.347,1341 3.343,1342 7.134,1343 0.067,1344 0.02,1345 7.419,1346 2.173,1347 0.338,1348 82.218,1349 0.228,1350 24.403,1351 0.661,1352 142,1353 441.63,1354 169.828,1355 457.514,1356 621.89,1357 428,1358 173,1359 440.129,1360 198.778,1361 458.271,1362 675.07,1363 430,1364 5}
{0 CHEMBL6246,1 1.493,2 6.818,3 1.483,4 2.199,5 68.465,6 10.793,7 0.48,8 3.588,9 3.593,10 3.399,11 3.091,12 5.072,13 3.196,14 4.013,15 4.006,16 3.882,17 3.518,18 5.599,19 3.626,20 4.317,21 4.321,22 4.108,23 3.676,24 6.045,25 3.803,26 4.42,27 4.458,28 4.053,29 3.588,30 6.037,31 3.742,32 4.297,33 4.324,34 3.982,35 3.355,36 6.271,37 3.532,38 3.99,39 4.032,40 3.516,41 2.935,42 6.042,43 3.09,44 3.592,45 3.697,46 2.742,47 2.382,48 5.447,49 2.476,50 2.976,51 3.107,52 2.102,53 1.721,54 4.865,55 1.779,56 0.458,57 0.338,58 2.171,59 2.521,60 64.103,61 1.298,62 0.675,63 0.523,64 1.965,65 3.914,66 79.596,67 2.392,68 1.053,69 0.697,70 3.807,71 5.233,72 136.639,73 3.222,74 1.331,75 0.762,76 8.238,77 5.776,78 173.557,79 3.403,80 1.35,81 0.653,82 7.818,83 4.958,84 182.067,85 3.593,86 1.016,87 0.479,88 5.136,89 3.656,90 163.405,91 2.415,92 0.723,93 0.326,94 5.67,95 2.574,96 124.797,97 1.793,98 0.405,99 0.173,100 3.699,101 1.412,102 65.794,103 1.326,104 37,105 40,106 0.282,107 0.575,108 0.666,109 0.693,110 0.72,111 0.72,112 3.151,113 0.723,114 -1.57,115 -1.64,116 -1.68,118 50,138 2,139 4,140 6,153 2,167 5,170 2,171 6,175 2,178 4,182 10,184 2,185 2,186 6,188 3,192 4,195 2,197 6,199 2,203 3,204 2,206 6,208 4,211 1,215 2,218 6,220 4,227 1,232 1,233 2,244 2,256 1,264 448,265 14.361,266 14.361,267 14.361,268 14.361,269 14.361,270 12.526,271 13.892,272 7.776,273 14.653,274 12.259,275 12.259,276 12.259,277 12.259,278 12.259,279 9.312,280 12.619,281 3.659,282 12.795,283 3.315,284 1.768,285 1.286,286 1.143,287 1,288 1,289 3.839,293 1,294 1,295 328,296 2.449,300 126.674,304 267.514,306 132.897,307 0.926,308 55.58,311 1,312 0.83,313 1,314 0.4,316 0.83,317 1,318 0.72,319 52,320 150,321 4.813,322 3.866,323 7.248,324 4.447,325 3.471,326 4.573,327 1.674,328 12.894,329 3.385,330 4.367,331 3.653,332 6.581,333 3.943,334 2.981,335 4.068,336 1.674,337 10.302,338 2.874,339 3.989,340 3.235,341 6.133,342 3.646,343 2.678,344 3.345,346 8.79,347 2.558,348 3.863,349 3.174,350 6.053,351 3.474,352 2.518,353 3.285,355 8.297,356 2.393,357 3.49,358 2.62,359 5.571,360 3.108,361 2.115,362 2.781,364 6.899,365 2.086,366 3.271,367 2.298,368 5.346,369 2.864,370 1.928,371 2.525,373 6.167,374 1.791,375 3.121,376 2.213,377 4.945,378 2.715,379 1.778,380 2.246,382 5.348,383 1.642,384 2.757,385 1.901,386 4.321,387 2.259,388 1.286,389 1.771,391 3.597,392 1.231,393 1.682,394 1.29,395 3.479,396 1.396,397 0.531,398 0.582,400 1.338,401 0.453,402 1.608,403 1.26,404 3.361,405 1.204,406 0.243,407 0.291,409 0.61,410 0.217,411 1.552,412 0.946,413 3.218,414 1.161,415 0.218,416 0.282,417 0.573,418 0.21,419 1.126,420 0.389,421 3.077,422 0.724,423 -0.221,424 -0.284,425 -0.67,426 -0.207,427 0.69,428 0.1,429 2.546,430 0.21,431 -0.715,432 -0.856,433 -2.022,434 -0.652,435 0.581,436 -0.246,437 2.342,438 0.207,439 -0.814,440 -1.002,441 -2.036,442 -0.796,443 0.236,444 -0.526,445 2.205,447 -0.903,448 -1.15,449 -2.613,450 -0.822,451 9.667,452 0.439,453 0.861,454 0.039,455 33,456 1.5,457 18,458 0.818,459 15,460 0.682,461 13.553,462 0.616,463 23.333,464 0.833,465 26.67,466 1.212,467 6.614,468 0.301,469 3.782,470 0.172,471 0.207,473 0.621,478 1.05,479 0.75,480 0.697,481 0.698,482 0.956,483 0.513,484 0.706,485 0.966,486 0.424,487 0.937,488 0.624,489 0.689,490 0.822,491 1.086,492 0.648,493 1.07,494 0.753,495 0.897,496 1.282,497 1.049,498 1.084,499 1.018,500 1.206,501 0.927,502 0.834,503 1.028,504 0.798,505 1.029,506 0.872,507 0.965,508 0.987,509 1.224,510 1.313,511 1.272,512 1.176,513 1.45,514 1.404,515 1.025,516 1.969,517 1.087,518 1.559,519 1.554,520 1.009,521 0.959,522 1.722,523 1.048,524 1.056,525 1.551,526 5,528 3.556,529 2.25,530 3.182,531 1.306,532 0.764,533 0.181,534 0.066,536 3891,537 17383,538 2.065,539 21.4,541 2,544 4,549 1.658,550 1.833,551 2.747,552 1.959,554 1,556 1,558 41.793,559 1.493,560 3.039,561 3.522,562 3.664,563 3.807,564 3.807,565 2.118,566 3.278,567 4.437,568 2.781,569 642.429,570 7.684,571 6538.79,572 1,573 1,575 1,576 134.606,577 1.435,578 4.343,579 0.2,581 0.089,582 0.047,583 0.072,584 0.034,585 0.035,586 0.02,587 0.016,589 0.514,590 0.33,591 1,592 0.714,593 95.331,594 -0.281,595 0.224,596 -0.158,597 0.252,598 -0.252,599 0.236,600 0.031,602 0.067,603 0.004,604 0.014,605 0.035,606 0.024,607 -0.125,608 0.006,609 -0.131,610 0.024,611 -0.113,612 -0.306,613 -0.087,614 -0.158,615 -0.063,616 -0.293,617 -0.004,618 0.24,619 -0.066,620 0.222,621 -0.076,622 0.198,623 -0.027,624 0.115,625 -0.269,626 -0.197,627 -0.319,628 0.12,629 -0.458,630 -0.273,631 -0.065,632 -0.505,633 -0.089,634 -0.215,635 -0.292,636 0.128,637 0.002,638 -0.036,639 -0.022,640 0.12,641 -0.111,642 2.608,643 4.996,644 0.727,645 11.372,646 1.081,647 1.104,648 0.342,649 0.117,650 0.711,651 3.258,652 3.714,653 4.111,654 4.489,655 4.905,656 5.13,657 5.313,658 5.476,659 5.642,660 5.609,661 4.078,662 0.761,663 302.2,664 3.258,665 4.875,666 5.802,667 6.756,668 7.707,669 8.665,670 9.622,671 10.581,672 11.54,673 12.5,690 2,695 10,697 12,707 2,713 4,716 28,718 14,719 2,720 25,722 31,723 14,724 12,725 10,726 2,727 2,728 4,729 14,740 14,744 2,749 2,753 2,757 1,760 6,761 8,762 4,763 8,775 0.25,776 8,794 4,798 5,800 2,819 1,827 22,832 4,835 2,850 28.6,852 4,853 2,855 2,858 12,859 5.133,860 4.556,861 1.471,863 2.743,864 1.352,865 0.911,866 2.44,867 10.546,868 3.526,869 4.248,870 4.924,871 5.588,872 6.276,873 6.727,874 7.146,875 7.539,876 7.974,877 8.224,878 0.8,879 48,880 8.272,881 4.106,882 8.636,883 14.167,884 12.297,885 3.136,886 69,890 23.542,891 56.564,894 243.023,897 56.564,898 266.565,902 18.952,903 235.406,904 45.229,906 23.542,908 23.542,909 56.564,910 243.023,913 23.542,914 243.023,918 56.564,921 23.542,922 243.023,923 56.564,926 23.542,927 37.612,928 18.952,930 243.023,931 23.542,932 243.023,933 56.564,935 0.62,936 0.391,937 0.216,938 0.139,939 24,940 12,943 5,944 1.5,945 3.099,946 203.92,947 0.625,948 14,949 76.107,954 13.237,955 4.056,956 1.541,958 243.023,959 1.929,964 -3.837,966 170.733,967 323.13,968 33,973 23.992,977 -1.882,980 30.269,981 30.921,983 0.31,984 0.632,985 0.733,986 0.762,987 0.792,988 0.792,989 4.844,990 1.286,991 5.866,992 5.348,993 4.394,994 4.934,995 2.503,996 6.825,997 4.312,998 6.128,999 0.531,1000 7.527,1001 3.597,1002 4.29,1003 5.075,1005 7.966,1006 4.179,1007 7.505,1008 0.243,1009 9.281,1010 1.338,1011 6.142,1012 7.257,1013 3.479,1014 11.161,1015 5.999,1016 8.913,1017 0.218,1018 11.085,1019 0.61,1020 6.781,1021 8.134,1023 13.085,1024 6.61,1025 10.347,1026 -0.221,1027 12.921,1028 0.573,1029 8.191,1030 9.878,1031 4.49,1032 15.839,1033 7.997,1034 11.802,1035 -0.715,1036 14.779,1037 -0.67,1038 9.155,1039 11.084,1041 18.116,1042 8.935,1043 13.274,1044 -0.814,1045 16.653,1046 -2.022,1047 10.422,1048 12.672,1049 5.514,1050 20.722,1051 10.18,1052 3.471,1053 -0.903,1054 18.541,1055 -2.036,1056 11.531,1057 14.034,1059 23.156,1060 11.265,1061 2.981,1062 12.894,1063 20.44,1064 -2.613,1065 12.755,1066 15.564,1067 6.542,1068 25.716,1069 12.469,1070 2.678,1071 10.302,1072 22.349,1073 4.573,1074 13.928,1075 16.999,1077 28.218,1078 13.619,1079 2.518,1080 8.79,1081 24.266,1082 4.068,1083 15.146,1084 18.509,1085 7.572,1086 30.767,1087 14.816,1088 2.115,1089 8.297,1090 26.191,1091 3.345,1092 16.35,1093 19.98,1095 33.297,1096 15.996,1097 1.928,1098 6.899,1099 28.122,1100 3.285,1101 17.571,1102 21.485,1103 8.603,1104 35.845,1105 17.196,1106 1.778,1107 6.167,1108 30.059,1109 2.781,1110 18.79,1111 22.974,1113 38.388,1114 18.392,1115 3819,1116 8146,1117 15.956,1118 19.92,1119 39.987,1120 42.634,1121 42.112,1122 39.49,1123 39.497,1124 51.495,1125 6.698,1126 129.63,1127 37.683,1128 5.702,1129 5.866,1130 6.172,1131 5.55,1132 5.471,1133 7.573,1134 3.349,1135 20.603,1136 5.385,1137 13.373,1138 1.599,1139 1.705,1140 1.684,1141 1.58,1142 1.58,1143 2.06,1144 0.268,1145 5.185,1146 1.507,1147 4.1,1148 4.092,1149 4.09,1150 4.017,1151 7.435,1152 4.033,1153 3.74,1154 3.74,1155 3.712,1156 3.65,1157 7.43,1158 3.663,1159 3.402,1160 3.362,1161 3.397,1162 3.128,1163 6.534,1164 3.195,1165 3.221,1166 3.198,1167 3.192,1168 2.982,1169 6.523,1170 3.029,1171 2.893,1172 2.903,1173 2.833,1174 2.732,1175 6.401,1176 2.75,1177 2.712,1178 2.695,1179 2.674,1180 2.406,1181 6.401,1182 2.464,1183 2.692,1184 2.684,1185 2.605,1186 2.383,1187 4.747,1188 2.445,1189 2.566,1190 2.57,1191 2.465,1192 2.168,1193 4.365,1194 2.244,1195 0.193,1196 0.155,1197 0.29,1198 0.178,1199 0.139,1200 4.813,1201 0.183,1202 3.866,1203 0.067,1204 7.248,1205 0.516,1206 4.447,1207 0.135,1208 3.471,1209 4.573,1210 1.674,1211 12.894,1212 3.385,1213 2.023,1214 2.028,1215 2.046,1216 2.122,1217 1.237,1218 2.093,1219 1.69,1220 1.687,1221 1.749,1222 1.808,1223 0.88,1224 1.785,1225 1.194,1226 1.224,1227 1.223,1228 1.499,1229 0.154,1230 1.403,1231 1.052,1232 1.065,1233 1.136,1234 1.349,1235 0.153,1236 1.27,1237 0.81,1238 0.797,1239 0.972,1240 1.063,1242 1.025,1243 0.517,1244 0.509,1245 0.743,1246 0.943,1248 0.871,1249 0.481,1250 0.508,1251 0.641,1252 0.848,1254 0.759,1255 0.341,1256 0.335,1257 0.603,1258 0.814,1260 0.757,1261 3.932,1263 5.352,1265 6.987,1267 8.731,1269 10.537,1276 38.931,1279 9.867,1289 21.299,1290 41.793,1291 85.096,1292 98.606,1293 102.606,1294 106.606,1295 106.606,1296 59.511,1297 7.803,1298 141.34,1299 141.34,1300 24,1301 12.983,1302 3.907,1303 3.17,1304 29.481,1305 57,1306 46,1307 0.287,1308 124.04,1309 228.72,1310 294.419,1311 22345,1313 15.757,1314 0.716,1315 0.481,1316 15.757,1317 10.577,1318 10.397,1319 0.416,1320 0.241,1321 5.88,1322 9.777,1323 5.851,1324 4.731,1325 10.397,1326 6.024,1327 10.38,1328 0.26,1329 0.119,1330 10.38,1331 4.771,1332 9.605,1333 0.16,1334 0.059,1335 9.605,1336 3.55,1337 8.099,1338 0.092,1339 0.029,1340 8.099,1341 2.581,1342 7.782,1343 0.058,1344 0.014,1345 7.782,1346 1.933,1347 0.412,1348 67.478,1349 0.25,1350 20.245,1351 0.927,1352 130,1353 533.541,1354 151.479,1355 494.387,1356 657.32,1357 454,1358 165,1359 481.939,1360 187.368,1361 476.528,1362 718.68,1363 448,1364 5.738}
{0 CHEMBL91829,1 1.502,2 9.743,3 3.479,4 12.106,5 135.851,6 7.438,7 0.5,8 4.257,9 4.372,10 3.84,11 3.811,12 5.311,13 3.796,14 4.831,15 5.002,16 4.238,17 4.25,18 5.851,19 4.221,20 5.087,21 5.269,22 4.344,23 4.446,24 6.081,25 4.384,26 5.26,27 5.47,28 4.46,29 4.561,30 6.273,31 4.488,32 5.371,33 5.576,34 4.55,35 4.626,36 6.383,37 4.562,38 5.455,39 5.667,40 4.625,41 4.699,42 6.486,43 4.634,44 5.519,45 5.746,46 4.566,47 4.705,48 6.531,49 4.625,50 5.405,51 5.634,52 4.318,53 4.565,54 6.422,55 4.453,56 0.01,57 0.931,58 12.794,59 5.704,60 8.109,61 7.426,62 0.33,63 1.576,64 25.693,65 9.495,66 27.812,67 12.684,68 0.384,69 1.917,70 34.175,71 13.551,72 35.095,73 17.839,74 0.389,75 2.258,76 41.743,77 16.368,78 66.1,79 22.422,80 0.571,81 2.511,82 47.271,83 17.453,84 57.707,85 23.328,86 0.503,87 2.715,88 51.617,89 19.102,90 69.583,91 25.88,92 0.628,93 2.852,94 56.723,95 19.81,96 93.764,97 26.839,98 0.758,99 2.485,100 51.171,101 18.086,102 105.793,103 24.444,104 19,105 59,106 0.237,107 0.569,108 0.715,109 0.784,110 0.804,111 0.824,112 3.59,113 0.903,114 -3.48,115 -3.46,116 -3.31,118 44.4,120 1,123 2,124 4,126 1,133 2,138 8,139 4,147 2,148 2,153 2,167 13,171 10,173 2,175 2,178 14,181 2,182 11,186 2,188 13,191 2,192 8,197 2,199 13,203 3,204 10,206 2,208 2,211 12,214 3,215 14,220 4,223 10,227 1,228 16,233 3,235 10,239 1,240 14,243 1,247 8,251 1,252 6,260 7,264 1438,265 23.93,266 23.93,267 23.93,268 23.93,269 23.93,270 21.264,271 21.829,272 13.939,273 24.38,274 19.802,275 19.802,276 19.802,277 19.802,278 19.802,279 15.494,280 21.51,281 6.631,282 20.498,283 4.476,284 2.372,285 1.445,286 1.008,287 0.881,288 0.754,289 4.308,294 1,295 765,296 3.24,299 112.181,300 97.343,303 139.797,307 0.993,308 32.204,311 1,312 0.67,313 1,314 0.8,315 0.5,316 1,317 1,318 0.85,319 75,320 341,321 4.825,322 3.839,323 7.187,324 4.422,325 3.429,326 4.714,327 1.2,328 12.66,329 3.405,330 4.638,331 3.32,332 6.82,333 4.167,334 3.194,335 4.601,336 0.86,337 11.317,338 3.111,339 4.357,340 3.219,341 6.535,342 3.918,343 2.943,344 3.942,345 0.8,346 10.243,347 2.866,348 3.609,349 3.152,350 5.878,351 3.505,352 2.574,353 2.917,354 0.8,355 7.843,356 2.39,357 3.581,358 2.943,359 5.489,360 3.252,361 2.266,362 2.806,364 7.262,365 2.234,366 3.433,367 2.483,368 5.399,369 3.058,370 2.106,371 2.723,373 6.615,374 2.004,375 3.384,376 2.375,377 5.217,378 2.97,379 1.996,380 2.63,382 5.936,383 1.928,384 3.325,385 2.249,386 4.956,387 2.907,388 1.939,389 2.54,391 5.465,392 1.876,393 3.149,394 2.037,395 4.751,396 2.783,397 1.857,398 2.307,400 4.662,401 1.704,402 2.937,403 1.923,404 4.436,405 2.678,406 1.648,407 1.952,409 4.576,410 1.685,411 2.843,412 1.502,413 4.379,414 2.327,415 1.331,416 1.913,417 3.638,418 1.323,419 2.705,420 1.451,421 3.808,422 2.28,423 1.309,424 1.789,425 2.941,426 1.266,427 2.628,428 1.236,429 3.628,430 2.158,431 1.176,432 1.649,433 2.814,434 1.152,435 2.452,436 1.206,437 3.594,438 2.088,439 1.112,440 1.427,441 2.709,442 1.079,443 2.206,444 1.005,445 3.574,446 1.812,447 0.846,448 1.071,449 2.137,450 0.812,451 16.6,452 0.474,453 0.922,454 0.026,455 44.25,456 1.264,457 20.5,458 0.586,459 23.75,460 0.679,461 34.267,462 0.979,463 36.8,464 0.584,465 39.403,466 1.126,467 8.837,468 0.252,469 8.171,470 0.233,471 0.1,473 0.404,478 0.746,479 1.368,480 0.757,481 1.083,482 0.542,483 0.943,484 1.038,485 0.92,486 0.874,487 0.786,488 0.566,489 0.786,490 1.05,491 0.999,492 0.972,493 0.978,494 0.874,495 0.969,496 0.729,497 1.045,498 0.826,499 0.996,500 0.521,501 0.935,502 1.102,503 1,504 0.96,505 0.992,506 0.904,507 0.962,508 1.02,509 1.051,510 0.902,511 1.007,512 1.006,513 0.947,514 1.269,515 0.981,516 1.035,517 0.956,518 1.261,519 0.956,520 1.267,521 0.996,522 1.184,523 1.027,524 1.448,525 1.085,526 6,527 0.186,528 3.778,529 3.847,530 1.994,531 1.779,532 1.447,533 0.889,534 0.611,535 0.34,536 15429,537 36566,538 2.173,539 44.4,541 23,542 2,544 1,547 2,549 1.78,550 2.039,551 3.221,552 -0.401,558 94.602,559 1.502,560 3.605,561 4.533,562 4.969,563 5.096,564 5.223,565 2.119,566 4.844,567 5.11,568 3.324,569 1977.84,570 9.037,571 28638.5,576 376.569,577 1.392,578 5.065,579 0.15,580 0.01,581 0.064,582 0.06,583 0.028,584 0.023,585 0.018,586 0.012,587 0.011,588 0.009,589 0.384,590 0.5,591 0.75,592 0.797,593 181.497,594 -0.016,595 -0.211,596 0.075,597 -0.066,598 -0.029,599 0.003,600 -0.045,601 0.209,602 0.047,603 0.18,604 0.042,605 0.142,606 -0.039,607 0.029,608 -0.035,609 0.026,610 -0.046,612 0.115,613 -0.045,614 0.123,615 0.008,616 0.198,617 0.059,618 0.013,619 0.016,620 0.019,621 -0.016,622 0.022,623 -0.003,624 0.026,625 -0.047,626 0.076,627 -0.027,628 0.04,629 0.024,630 -0.127,631 0.016,632 -0.031,633 0.007,634 -0.064,635 0.006,636 -0.104,637 -0.025,638 -0.175,639 -0.055,640 -0.136,641 -0.115,642 2.015,643 6.201,644 0.829,645 24.898,646 1,647 1.121,648 2.253,649 5.077,650 0.675,651 3.714,652 4.094,653 4.454,654 4.844,655 5.112,656 5.328,657 5.591,658 5.805,659 5.953,660 6.12,661 5.908,662 0.644,663 468.6,664 3.714,665 5.293,666 6.188,667 7.114,668 8.033,669 8.969,670 9.899,671 10.84,672 11.777,673 12.721,674 6.3,677 1,681 1,682 2,689 4,690 10,695 2,696 2,697 20,716 63,718 23,719 2,720 40,722 68,723 28,724 16,725 4,726 8,727 4,728 6,729 25,735 2,738 2,740 20,741 8,744 3,749 2,753 4,760 28,761 5,762 1,763 7,769 4,772 1,775 0.167,776 3,789 2,793 3,794 2,797 2,812 2,816 1,818 1,819 1,823 2,827 35,833 5,834 1,835 1,837 1,838 1,850 4.8,853 2,854 1,858 17.167,859 12.017,860 7.472,861 3.843,863 4.447,864 1.472,865 1.04,866 5.602,867 13.864,868 3.989,869 4.649,870 5.346,871 6.052,872 6.633,873 7.101,874 7.643,875 8.131,876 8.461,877 8.906,878 0.5,879 64,880 13.061,881 5.798,882 7.657,883 25.224,884 21.726,885 2.157,886 75.5,890 317.82,891 155.727,892 24.933,894 61.29,897 155.727,898 379.109,899 24.933,900 16.793,901 31.455,902 93.905,903 70.699,904 24.811,905 27.83,906 294.278,908 317.82,909 180.661,910 61.29,913 294.278,914 73.832,915 11,917 38.377,918 142.283,921 317.82,922 86.223,923 155.727,926 317.82,927 45.03,928 117.62,929 18.011,930 61.29,931 317.82,932 86.223,933 155.727,935 0.589,936 0.351,937 0.212,938 0.119,939 32,940 14,941 0.029,942 2,943 7,944 1.414,945 4.226,946 384.711,947 0.483,948 27,949 177.525,954 22.293,955 8.795,956 3.823,957 3.982,958 82.425,959 20.119,964 1.565,965 4.319,966 18.011,967 559.77,968 53,973 26.371,977 0.201,980 62.992,981 70.604,983 0.251,984 0.603,985 0.758,986 0.831,987 0.853,988 0.874,989 5.263,990 1.939,991 6.196,992 5.936,993 4.779,994 5.338,995 2.028,996 7.093,997 4.72,998 6.495,999 1.857,1000 7.8,1001 5.465,1002 4.443,1003 5.278,1004 0.325,1005 8.146,1006 4.365,1007 7.833,1008 1.648,1009 9.508,1010 4.662,1011 6.441,1012 7.644,1013 2.018,1014 11.336,1015 6.336,1016 9.214,1017 1.331,1018 11.278,1019 4.576,1020 6.957,1021 8.481,1022 0.268,1023 13.272,1024 6.845,1025 10.634,1026 1.309,1027 13.091,1028 3.638,1029 8.435,1030 10.329,1031 2.149,1032 15.986,1033 8.302,1034 12.084,1035 1.176,1036 14.933,1037 2.941,1038 9.341,1039 11.569,1040 0.188,1041 18.269,1042 9.205,1043 13.557,1044 1.112,1045 16.797,1046 2.814,1047 10.629,1048 13.22,1049 2.37,1050 20.836,1051 10.478,1052 3.429,1053 0.846,1054 18.678,1055 2.709,1056 11.706,1057 14.633,1058 0.125,1059 23.254,1060 11.553,1061 3.194,1062 12.66,1063 20.572,1064 2.137,1065 12.929,1066 16.21,1067 2.65,1068 25.777,1069 12.765,1070 2.943,1071 11.317,1072 22.477,1073 4.714,1074 14.078,1075 17.694,1076 0.082,1077 28.249,1078 13.911,1079 2.574,1080 10.243,1081 24.391,1082 4.601,1083 15.283,1084 19.243,1085 2.964,1086 30.762,1087 15.108,1088 2.266,1089 7.843,1090 26.311,1091 3.942,1092 16.464,1093 20.757,1094 0.054,1095 33.259,1096 16.284,1097 2.106,1098 7.262,1099 28.237,1100 2.917,1101 17.666,1102 22.298,1103 3.298,1104 35.772,1105 17.48,1106 1.996,1107 6.615,1108 30.167,1109 2.806,1110 18.862,1111 23.825,1112 0.035,1113 38.282,1114 18.671,1115 14253,1116 22158,1117 27.164,1118 42.523,1119 62.398,1120 63.666,1121 63.769,1122 61.687,1123 61.664,1124 80.784,1125 7.32,1126 187.307,1127 59.814,1128 5.762,1129 5.839,1130 6.866,1131 5.512,1132 5.429,1133 7.714,1134 2.4,1135 20.497,1136 5.405,1137 15.604,1138 1.56,1139 1.592,1140 1.594,1141 1.542,1142 1.542,1143 2.02,1144 0.183,1145 4.683,1146 1.495,1147 4.209,1148 4.237,1149 4.179,1150 4.127,1151 7.45,1152 4.136,1153 4.097,1154 4.131,1155 4.061,1156 4.013,1157 7.408,1158 4.021,1159 3.788,1160 3.831,1161 3.745,1162 3.632,1163 4.957,1164 3.653,1165 3.741,1166 3.777,1167 3.632,1168 3.577,1169 4.886,1170 3.581,1171 3.522,1172 3.596,1173 3.391,1174 3.355,1175 4.584,1176 3.356,1177 3.493,1178 3.561,1179 3.361,1180 3.297,1181 4.328,1182 3.304,1183 3.311,1184 3.37,1185 3.191,1186 3.119,1187 4.278,1188 3.125,1189 3.202,1190 3.257,1191 3.068,1192 3.075,1193 4.232,1194 3.068,1195 0.121,1196 0.096,1197 0.18,1198 0.111,1199 0.086,1200 4.825,1201 0.118,1202 3.839,1203 0.03,1204 7.187,1205 0.317,1206 4.422,1207 0.085,1208 3.429,1209 4.714,1210 1.2,1211 12.66,1212 3.405,1213 1.964,1214 1.946,1215 2.05,1216 2.05,1217 1.309,1218 2.051,1219 1.931,1220 1.905,1221 2.027,1222 2.024,1223 1.204,1224 2.026,1225 1.787,1226 1.746,1227 1.959,1228 1.957,1229 1.173,1230 1.961,1231 1.661,1232 1.615,1233 1.823,1234 1.842,1235 1.052,1236 1.841,1237 1.581,1238 1.527,1239 1.775,1240 1.78,1241 0.969,1242 1.781,1243 1.451,1244 1.376,1245 1.674,1246 1.661,1247 0.837,1248 1.667,1249 1.299,1250 1.262,1251 1.467,1252 1.61,1253 0.647,1254 1.546,1255 1.187,1256 1.128,1257 1.417,1258 1.41,1259 0.552,1260 1.416,1261 4.394,1263 5.759,1264 3.434,1265 7.307,1266 5.938,1267 8.947,1268 8.138,1269 10.641,1271 4.126,1277 3.644,1278 2.566,1279 6.377,1281 0.074,1282 2.154,1289 40.552,1290 94.602,1291 227.108,1292 285.549,1293 313.059,1294 321.059,1295 329.059,1296 61.165,1297 9.416,1298 72.26,1299 72.26,1300 41,1301 13.215,1302 4.585,1303 3.807,1304 46.46,1305 140,1306 119,1307 0.181,1308 241.96,1309 416.53,1310 582.143,1311 191113,1313 24.104,1314 0.689,1315 0.57,1316 24.104,1317 19.953,1318 17.008,1319 0.425,1320 0.301,1321 11.864,1322 16.368,1323 11.56,1324 9.521,1325 17.008,1326 12.038,1327 15.892,1328 0.269,1329 0.162,1330 15.892,1331 9.584,1332 13.639,1333 0.16,1334 0.082,1335 13.639,1336 6.994,1337 12.797,1338 0.102,1339 0.043,1340 12.797,1341 5.467,1342 10.619,1343 0.064,1344 0.023,1345 10.619,1346 3.864,1347 0.271,1348 106.451,1349 0.192,1350 30.705,1351 0.538,1352 198,1353 528.475,1354 214.27,1355 509.984,1356 710.54,1357 480,1358 243,1359 531.818,1360 260.744,1361 541.512,1362 807.73,1363 510,1364 5}
{0 CHEMBL939,1 1.765,2 12.935,3 4.203,4 17.668,5 117.539,6 8.126,7 0.5,8 4.125,9 4.233,10 3.763,11 3.608,12 5.232,13 3.614,14 4.683,15 4.851,16 4.108,17 3.975,18 5.763,19 3.967,20 4.893,21 5.085,22 4.228,23 4.114,24 6.01,25 4.075,26 4.91,27 5.131,28 4.063,29 4.094,30 5.891,31 4.01,32 4.924,33 5.162,34 3.998,35 4.066,36 5.867,37 3.975,38 4.855,39 5.07,40 4.024,41 4.022,42 5.847,43 3.955,44 4.822,45 5.037,46 4.035,47 4,48 5.867,49 3.93,50 4.743,51 4.957,52 4.007,53 3.938,54 5.802,55 3.875,56 0.111,57 0.856,58 10.201,59 4.964,60 8.62,61 6.061,62 0.52,63 1.327,64 22.65,65 8.032,66 32.965,67 9.846,68 0.832,69 1.556,70 32.057,71 10.206,72 61.553,73 12.9,74 0.668,75 1.527,76 32.189,77 10.914,78 50.112,79 14.647,80 0.769,81 1.436,82 34.793,83 11.224,84 55.907,85 15.459,86 0.703,87 1.383,88 30.31,89 10.185,90 51.652,91 13.425,92 0.773,93 1.377,94 29.541,95 9.526,96 53.011,97 12.641,98 0.507,99 1.332,100 28.621,101 8.847,102 41.222,103 11.646,104 11,105 46,106 0.291,107 0.618,108 0.788,109 0.862,110 0.862,111 0.862,112 3.472,113 0.926,114 -4.14,115 -4.08,116 -3.86,118 40,120 1,123 1,124 6,138 5,139 1,140 5,142 1,143 1,144 1,167 2,170 1,171 7,173 1,175 3,178 3,181 2,182 5,186 2,188 3,191 2,192 4,195 1,197 2,199 4,203 2,204 3,206 1,211 5,214 1,215 4,218 1,223 4,227 2,228 7,233 1,235 2,240 4,247 1,251 2,252 3,255 1,260 2,264 1793,265 21.3,266 21.3,267 21.3,268 21.3,269 21.3,270 19.212,271 28.856,272 12.772,273 22.231,274 16.748,275 16.748,276 16.748,277 16.748,278 16.748,279 13.558,280 41.089,281 6.022,282 18.21,283 4.016,284 2.038,285 1.007,286 0.559,287 0.559,288 0.559,289 4.172,290 1,293 1,294 1,295 866,296 3.24,300 375.27,304 143.891,307 2.067,308 34.732,311 1,312 1,313 1,314 1,315 0.5,316 1,317 1,318 0.93,319 68.833,320 401,321 4.575,322 3.319,323 6.586,324 4.099,325 3.135,326 4.513,327 0.86,328 10.534,329 3.023,330 4.218,331 3.281,332 6.054,333 3.76,334 2.835,335 3.872,336 0.86,337 8.734,338 2.605,339 3.99,340 2.944,341 5.946,342 3.569,343 2.645,344 3.493,345 0.86,346 8.294,347 2.43,348 3.569,349 2.884,350 5.361,351 3.436,352 2.52,353 2.926,354 0.8,355 6.965,356 2.305,357 3.52,358 2.475,359 5.34,360 3.155,361 2.228,362 2.674,363 0.4,364 6.774,365 2.032,366 3.334,367 2.316,368 5.011,369 2.867,370 1.925,371 2.521,373 5.763,374 1.803,375 2.999,376 2.162,377 4.505,378 2.589,379 1.675,380 2.22,382 4.444,383 1.524,384 2.82,385 2.123,386 4.042,387 2.481,388 1.561,389 1.949,391 3.523,392 1.433,393 2.767,394 1.897,395 3.948,396 2.319,397 1.414,398 1.819,400 3.451,401 1.23,402 2.581,403 1.618,404 3.696,405 2.29,406 1.414,407 1.587,409 3.144,410 1.217,411 2.312,412 1.367,413 3.448,414 2.091,415 1.174,416 1.3,417 2.612,418 1.067,419 2,420 1.256,421 3.247,422 1.952,423 1,424 1,425 2.136,426 0.946,427 1.822,428 0.969,429 3.201,430 1.535,431 0.632,432 0.729,433 1.449,434 0.565,435 1.555,436 0.825,437 2.898,438 1.27,439 0.391,440 0.416,441 0.737,442 0.34,443 1.471,444 0.734,445 2.812,446 1.162,447 0.282,448 0.34,449 0.598,450 0.236,451 14.6,452 0.471,453 0.623,454 0.02,455 38.75,456 1.25,457 17.5,458 0.565,459 21.25,460 0.685,461 26.928,462 0.869,463 34.6,464 0.629,465 29.763,466 0.96,467 7.851,468 0.253,469 7.285,470 0.235,471 0.103,473 0.301,477 1,478 0.775,479 1.345,480 0.626,481 1.16,482 0.585,483 0.989,484 1.168,485 0.98,486 0.792,487 0.838,488 0.738,489 0.833,490 1.016,491 1.056,492 0.905,493 0.952,494 0.808,495 0.943,496 0.783,497 0.984,498 0.87,499 1.054,500 0.73,501 1.065,502 0.707,503 0.736,504 0.809,505 0.899,506 0.482,507 0.916,508 0.933,509 0.895,510 0.777,511 0.917,512 0.705,513 0.942,514 0.928,515 0.86,516 0.854,517 0.838,518 0.69,519 0.915,520 0.962,521 1.09,522 1.043,523 1.073,524 0.862,525 1.026,526 5.5,527 0.177,528 3.111,529 1.563,530 1.782,531 0.736,532 0.625,533 0.531,534 0.32,535 0.284,536 13808,537 42102,538 2.104,539 43.6,541 20,543 1,544 1,547 2,549 1.737,550 2,551 3.648,552 -0.297,554 1,558 97.073,559 1.765,560 3.743,561 4.774,562 5.222,563 5.222,564 5.222,565 3.112,566 4.696,567 4.92,568 3.818,569 1775.43,570 8.602,571 25978.8,573 1,575 1,576 317.975,577 1.277,578 4.899,579 0.162,580 0.006,581 0.068,582 0.033,583 0.043,584 0.018,585 0.016,586 0.014,587 0.009,588 0.008,589 0.376,590 0.33,591 1,592 0.646,593 162.713,594 -0.052,595 -0.241,596 0.04,597 -0.139,598 -0.014,599 -0.038,600 -0.17,601 0.02,602 0.008,603 0.11,604 -0.016,605 0.087,606 -0.011,607 -0.043,608 0.013,609 0.016,610 0.095,611 0.007,612 0.019,613 -0.051,614 -0.011,615 -0.086,616 0.002,617 -0.076,618 0.081,619 0.061,620 0.074,621 0.064,622 0.075,623 0.092,624 -0.025,625 -0.026,626 0.053,627 0.042,628 -0.017,629 0.039,630 -0.003,631 0.031,632 0.039,633 0.111,634 0.023,635 0.05,636 -0.088,637 -0.116,638 -0.027,639 -0.096,640 -0.012,641 -0.053,642 2.141,643 5.468,644 0.71,645 36.081,646 1.017,647 1.136,648 2.907,649 8.449,650 0.665,651 3.555,652 3.85,653 4.111,654 4.344,655 4.605,656 4.644,657 4.762,658 4.898,659 5.024,660 5.063,661 7.531,662 0.641,663 446.95,664 3.555,665 5.081,666 5.922,667 6.783,668 7.642,669 8.511,670 9.377,671 10.251,672 11.123,673 12.001,674 7.3,677 1,682 1,684 2,689 2,690 6,691 2,695 6,697 17,709 1,714 2,715 2,716 55,718 17,719 2,720 34,722 58,723 22,724 14,725 7,726 5,728 4,729 5,730 1,738 1,740 14,741 8,757 1,758 1,760 24,761 8,762 1,763 9,764 1,769 4,775 0.75,776 3,788 1,794 4,798 1,816 1,818 1,819 3,823 1,824 1,825 1,827 31,833 7,834 1,835 3,838 1,849 2,850 5.5,854 1,855 2,858 15.5,859 10.136,860 6.944,861 3.258,863 3.35,864 1.427,865 0.977,866 7.404,867 11.2,868 3.773,869 4.357,870 4.936,871 5.514,872 6.126,873 6.428,874 6.814,875 7.249,876 7.671,877 7.846,878 0.889,879 48,880 11.46,881 4.82,882 7.789,883 21.807,884 17.542,885 2.289,886 70.944,889 1,890 270.735,891 122.422,892 54.706,893 39.149,894 33,895 14.96,897 122.422,898 342.884,899 69.666,900 10.883,901 22.629,902 47.381,903 56.342,904 82.336,905 17.288,906 258.964,907 39.149,908 270.735,909 177.128,910 47.96,911 39.149,913 262.153,914 45.542,915 11,917 54.527,918 89.03,919 72.72,921 285.695,922 87.706,923 161.571,926 270.735,927 55.539,928 70.007,929 18.011,930 120.679,931 270.735,932 102.666,933 161.571,935 0.571,936 0.336,937 0.178,938 0.1,939 21,940 9,941 0.138,942 8,943 1,944 1.091,945 4.318,946 272.759,947 0.091,948 22,949 149.58,954 22.028,955 10.42,956 5.547,957 1.454,958 102.666,959 9.546,960 8.666,964 1.968,966 18.011,967 534.972,968 42.5,980 55.945,981 62.472,983 0.305,984 0.647,985 0.826,986 0.903,987 0.903,988 0.903,989 4.999,990 1.561,991 5.883,992 4.444,993 4.533,994 5.043,995 1.905,996 6.658,997 4.377,998 6.181,999 1.414,1000 7.418,1001 3.523,1002 4.007,1003 4.856,1004 0.325,1005 7.476,1006 3.767,1007 7.478,1008 1.414,1009 9.052,1010 3.451,1011 6.089,1012 7.255,1013 1.567,1014 10.569,1015 5.815,1016 8.812,1017 1.174,1018 10.746,1019 3.144,1020 6.399,1021 7.925,1022 0.268,1023 12.224,1024 6.05,1025 10.183,1026 1,1027 12.479,1028 2.612,1029 7.918,1030 9.801,1031 1.31,1032 14.822,1033 7.542,1034 11.577,1035 0.632,1036 14.238,1037 2.136,1038 8.631,1039 10.882,1040 0.188,1041 16.84,1042 8.196,1043 12.992,1044 0.391,1045 16.017,1046 1.449,1047 9.91,1048 12.538,1049 1.087,1050 19.264,1051 9.447,1052 3.135,1053 0.282,1054 17.81,1055 0.737,1056 10.825,1057 13.825,1058 0.125,1059 21.451,1060 10.316,1061 2.835,1062 10.534,1063 19.614,1064 0.598,1065 12,1066 15.386,1067 0.89,1068 23.814,1069 11.463,1070 2.645,1071 8.734,1072 21.428,1073 4.513,1074 13.016,1075 16.777,1076 0.082,1077 26.082,1078 12.442,1079 2.52,1080 8.294,1081 23.249,1082 3.872,1083 14.15,1084 18.297,1085 0.718,1086 28.427,1087 13.549,1088 2.228,1089 6.965,1090 25.077,1091 3.493,1092 15.217,1093 19.74,1094 0.054,1095 30.734,1096 14.583,1097 1.925,1098 6.774,1099 26.91,1100 2.926,1101 16.337,1102 21.244,1103 0.571,1104 33.076,1105 15.677,1106 1.675,1107 5.763,1108 28.749,1109 2.674,1110 17.431,1111 22.714,1112 0.035,1113 35.404,1114 16.741,1115 13112,1116 23153,1117 23.057,1118 36.557,1119 49.568,1120 51.362,1121 51.011,1122 49.795,1123 49.662,1124 62.717,1125 7.56,1126 138.316,1127 45.509,1128 5.575,1129 5.319,1130 6.388,1131 5.203,1132 5.135,1133 7.513,1134 1.72,1135 17.471,1136 5.023,1137 13.097,1138 1.458,1139 1.511,1140 1.5,1141 1.465,1142 1.461,1143 1.845,1144 0.222,1145 4.068,1146 1.339,1147 4.079,1148 4.107,1149 4.073,1150 3.977,1151 8.201,1152 3.991,1153 3.889,1154 3.909,1155 3.979,1156 3.819,1157 5.104,1158 3.819,1159 3.82,1160 3.884,1161 3.697,1162 3.61,1163 4.861,1164 3.621,1165 3.558,1166 3.603,1167 3.489,1168 3.346,1169 4.755,1170 3.362,1171 3.432,1172 3.482,1173 3.341,1174 3.229,1175 4.626,1176 3.246,1177 3.167,1178 3.241,1179 3.276,1180 2.941,1181 4.466,1182 2.944,1183 3.111,1184 3.206,1185 3.021,1186 2.927,1187 4.368,1188 2.91,1189 3.108,1190 3.174,1191 2.963,1192 2.882,1193 4.092,1194 2.89,1195 0.135,1196 0.098,1197 0.194,1198 0.121,1199 0.092,1200 4.575,1201 0.133,1202 3.319,1203 0.025,1204 6.586,1205 0.31,1206 4.099,1207 0.089,1208 3.135,1209 4.513,1210 0.86,1211 10.534,1212 3.023,1213 2.005,1214 1.984,1215 2.056,1216 2.126,1217 1.292,1218 2.106,1219 1.855,1220 1.835,1221 1.975,1222 1.993,1223 1.182,1224 1.991,1225 1.754,1226 1.691,1227 1.923,1228 1.946,1229 1.069,1230 1.945,1231 1.507,1232 1.452,1233 1.775,1234 1.742,1235 1.031,1236 1.75,1237 1.354,1238 1.309,1239 1.594,1240 1.616,1241 0.825,1242 1.604,1243 1.153,1244 1.064,1245 1.513,1246 1.407,1247 0.59,1248 1.429,1249 1.127,1250 1.047,1251 1.391,1252 1.376,1253 0.498,1254 1.417,1255 1.021,1256 0.961,1257 1.258,1258 1.274,1259 0.377,1260 1.259,1261 4.234,1263 5.533,1265 7.036,1267 8.634,1269 10.283,1271 1.6,1272 5.895,1273 13.468,1277 5.899,1278 3.173,1279 16.905,1282 2.369,1289 35.236,1290 97.073,1291 205.859,1292 262.591,1293 287.22,1294 287.22,1295 287.22,1296 55.025,1297 7.85,1298 68.74,1299 68.74,1300 24,1301 12.54,1302 4.17,1303 3.248,1304 49.422,1305 137,1306 152,1307 0.171,1308 217.506,1309 377.55,1310 522.475,1311 30787,1312 3.6,1313 21.631,1314 0.698,1315 0.58,1316 21.261,1317 17.992,1318 15.135,1319 0.445,1320 0.309,1321 9.925,1322 14.004,1323 9.718,1324 7.97,1325 15.013,1326 10.493,1327 13.173,1328 0.286,1329 0.164,1330 13.085,1331 7.56,1332 11.237,1333 0.187,1334 0.09,1335 10.838,1336 5.373,1337 9.019,1338 0.119,1339 0.048,1340 9.188,1341 3.622,1342 7.584,1343 0.077,1344 0.025,1345 7.494,1346 2.445,1347 0.272,1348 99.806,1349 0.208,1350 29.48,1351 0.46,1352 160,1353 572.789,1354 196.338,1355 540.013,1356 716.72,1357 508,1358 186,1359 488.128,1360 220.188,1361 494.037,1362 724.55,1363 463,1364 5.301}
{0 CHEMBL941,1 1.468,2 16.73,3 4.221,4 17.813,5 146.651,6 7.26,7 0.585,8 4.309,9 4.443,10 3.863,11 3.85,12 5.388,13 3.826,14 4.838,15 5.033,16 4.197,17 4.233,18 5.866,19 4.187,20 5.077,21 5.286,22 4.239,23 4.395,24 6.061,25 4.31,26 5.205,27 5.466,28 4.145,29 4.367,30 6.139,31 4.247,32 5.13,33 5.402,34 4.135,35 4.291,36 6.073,37 4.196,38 4.967,39 5.186,40 4.111,41 4.268,42 6.004,43 4.179,44 5.016,45 5.264,46 4.026,47 4.248,48 5.971,49 4.136,50 4.9,51 5.125,52 3.986,53 4.166,54 5.937,55 4.067,56 0.042,57 1.057,58 14.153,59 5.707,60 10.591,61 7.967,62 0.335,63 1.689,64 26.501,65 9.172,66 28.678,67 13.227,68 0.267,69 2.03,70 34.233,71 12.408,72 36.8,73 17.809,74 0.379,75 2.115,76 41.833,77 14.546,78 57.714,79 21.321,80 0.4,81 1.949,82 39.659,83 12.896,84 56.06,85 19.119,86 0.404,87 1.798,88 31.238,89 11.142,90 47.554,91 15.945,92 0.357,93 1.761,94 34.142,95 12.405,96 47.321,97 17.862,98 0.328,99 1.59,100 29.721,101 10.944,102 50.027,103 15.574,104 10,105 56,106 0.229,107 0.549,108 0.732,109 0.824,110 0.859,111 0.859,112 3.642,113 0.911,114 -4.14,115 -4.08,116 -3.86,118 42.6,119 1,123 1,124 5,138 10,139 4,140 2,141 3,142 1,146 1,153 1,167 11,170 1,171 7,173 3,175 5,178 12,181 1,182 6,186 5,188 7,191 1,192 13,196 1,197 6,199 3,204 9,208 3,211 5,214 1,215 6,218 4,220 2,223 11,227 1,228 3,231 1,233 2,235 13,239 2,240 5,245 4,247 11,252 8,257 2,260 6,264 2915,265 25.256,266 25.256,267 25.256,268 25.256,269 25.256,270 22.252,271 30.255,272 15.065,273 25.762,274 20.276,275 20.276,276 20.276,277 20.276,278 20.276,279 15.83,280 48.345,281 7.248,282 21.073,283 4.619,284 2.571,285 1.397,286 0.809,287 0.581,288 0.581,289 4.35,294 1,295 1361,296 3.317,300 678.363,307 2.71,308 24.81,311 1,312 0.83,313 1,314 0.8,315 0.5,316 1,317 1,318 0.88,319 78.5,320 619,321 4.315,322 3.573,323 6.185,324 3.93,325 2.959,326 3.96,327 1.058,328 9.244,329 2.89,330 4.24,331 3.072,332 6.115,333 3.858,334 2.876,335 3.87,336 0.916,337 8.969,338 2.818,339 4.165,340 3.043,341 6.033,342 3.787,343 2.798,344 3.759,345 0.8,346 8.628,347 2.765,348 3.82,349 2.87,350 5.588,351 3.604,352 2.658,353 3.263,354 0.4,355 7.698,356 2.52,357 3.74,358 2.687,359 5.313,360 3.344,361 2.392,362 3.117,363 0.172,364 6.87,365 2.27,366 3.544,367 2.462,368 5.204,369 3.267,370 2.32,371 2.784,373 6.483,374 2.183,375 3.434,376 2.335,377 5.127,378 3.087,379 2.123,380 2.551,382 6.246,383 2.046,384 3.203,385 2.27,386 4.806,387 2.861,388 1.928,389 2.486,391 5.438,392 1.786,393 3.033,394 1.869,395 4.413,396 2.731,397 1.773,398 2.052,400 4.415,401 1.697,402 2.857,403 1.829,404 4.15,405 2.412,406 1.441,407 2,409 3.703,410 1.398,411 2.744,412 1.543,413 4.047,414 2.282,415 1.265,416 1.806,417 3.364,418 1.276,419 2.709,420 1.262,421 3.541,422 2.207,423 1.238,424 1.75,425 2.792,426 1.197,427 2.5,428 1.146,429 3.429,430 2,431 1,432 1.5,433 2.387,434 1,435 2.5,436 1,437 3.414,438 1.967,439 1,440 1.5,441 2.275,442 0.965,443 2.5,444 1,445 3.414,446 1.961,447 1,448 1.5,449 2.275,450 0.958,451 17.633,452 0.477,453 0.814,454 0.022,455 51.25,456 1.385,457 26.5,458 0.716,459 24.75,460 0.669,461 29.967,462 0.81,463 38.767,464 0.57,465 41.044,466 1.109,467 10.312,468 0.279,469 7.718,470 0.209,471 0.076,473 0.301,478 0.848,479 1.433,480 0.808,481 1.104,482 0.626,483 0.972,484 0.991,485 0.994,486 0.919,487 0.878,488 0.591,489 0.877,490 1.061,491 1.208,492 1.096,493 1.165,494 0.867,495 1.137,496 0.973,497 1.042,498 0.968,499 1.04,500 0.971,501 1.011,502 1.198,503 0.876,504 0.825,505 0.754,506 1.213,507 0.747,508 0.988,509 0.96,510 1.076,511 1.036,512 1.053,513 1.059,514 0.958,515 0.93,516 0.951,517 0.966,518 1.182,519 0.964,520 1.025,521 1.05,522 0.997,523 1.062,524 1.329,525 1.041,526 7.5,527 0.206,528 3.556,529 1.875,530 1.791,531 0.938,532 0.726,533 0.668,534 0.358,535 0.262,536 25355,537 58418,538 2.133,539 45.6,540 3,541 23,543 3,544 2,549 1.776,550 2.037,551 4.006,552 0.135,558 99.834,559 1.468,560 3.516,561 4.69,562 5.278,563 5.506,564 5.506,565 3.506,566 4.703,567 5.178,568 4.179,569 2783.16,570 9.086,571 48375,576 413.947,577 1.241,578 5.159,579 0.183,580 0.006,581 0.063,582 0.033,583 0.037,584 0.018,585 0.015,586 0.015,587 0.008,588 0.007,589 0.385,590 0.33,591 0.75,592 0.435,593 208.703,594 -0.022,595 -0.243,596 0.063,597 -0.075,598 -0.021,599 -0.009,600 0.046,601 0.146,602 0.024,603 0.089,604 0.102,605 0.061,606 -0.097,607 -0.145,608 -0.151,609 -0.173,610 -0.002,611 -0.168,612 0.021,613 -0.089,614 0.03,615 -0.055,616 0.075,617 -0.019,618 -0.065,619 0.072,620 0.198,621 0.214,622 0.019,623 0.235,624 0.047,625 0.098,626 -0.115,627 -0.056,628 -0.036,629 -0.097,630 0.03,631 0.03,632 0.033,633 0.04,634 -0.028,635 0.037,636 0.066,637 -0.067,638 -0.022,639 -0.052,640 0.048,641 -0.049,642 1.809,643 5.93,644 0.811,645 52.079,646 0.995,647 1.128,648 2.907,649 8.452,650 0.671,651 3.738,652 4.043,653 4.277,654 4.5,655 4.754,656 4.736,657 4.868,658 4.997,659 5.069,660 5.165,661 9.44,662 0.635,663 493.67,664 3.738,665 5.273,666 6.107,667 6.965,668 7.812,669 8.671,670 9.522,671 10.381,672 11.235,673 12.095,674 10.3,677 2,681 1,682 1,684 3,690 13,691 3,695 8,697 24,704 1,709 1,716 68,718 25,719 2,720 41,722 72,723 29,724 21,725 5,726 7,727 1,728 5,729 5,732 1,740 22,741 7,744 1,749 1,753 1,760 31,761 8,762 2,763 8,769 7,775 1,776 1,787 1,788 1,794 5,816 2,819 5,823 2,827 37,833 5,834 2,838 2,850 1.5,853 1,858 18.167,859 12.75,860 8.083,861 3.987,863 4.413,864 1.525,865 1.005,866 7.739,867 12.824,868 4.007,869 4.575,870 5.103,871 5.635,872 6.188,873 6.321,874 6.701,875 7.07,876 7.413,877 7.753,878 1,879 56,880 13.659,881 5.724,882 7.595,883 26.45,884 21.544,885 2.095,886 77.5,890 341.362,891 177.271,892 92.627,894 25.145,897 177.271,898 366.507,899 92.627,900 17.222,901 28.539,902 94.762,903 115.519,904 72.414,905 1.899,906 306.049,908 341.362,909 269.898,910 25.145,913 341.362,914 25.145,917 93.422,918 126.119,919 50.357,921 341.362,922 117.772,923 177.271,926 341.362,927 38.145,928 145.375,929 36.022,930 75.502,931 341.362,932 117.772,933 177.271,935 0.579,936 0.33,937 0.172,938 0.1,939 26,940 11,941 0.097,942 7,944 1,945 4.937,946 345.14,948 30,949 184.75,954 24.883,955 11.508,956 6.507,958 117.772,959 24.532,960 13.135,964 6.558,966 36.022,967 636.405,968 54,973 12.93,977 -0.143,980 67.643,981 76.68,983 0.241,984 0.578,985 0.771,986 0.867,987 0.905,988 0.905,989 5.231,990 1.928,991 6.071,992 6.246,993 4.727,994 5.263,995 1.796,996 6.821,997 4.656,998 6.413,999 1.773,1000 7.59,1001 5.438,1002 4.205,1003 4.89,1004 0.57,1005 7.554,1006 4.108,1007 7.694,1008 1.441,1009 9.202,1010 4.415,1011 6.271,1012 7.375,1013 1.605,1014 10.61,1015 6.137,1016 9.003,1017 1.265,1018 10.868,1019 3.703,1020 6.538,1021 7.786,1022 0.581,1023 12.137,1024 6.39,1025 10.342,1026 1.238,1027 12.568,1028 3.364,1029 8.057,1030 9.747,1031 1.567,1032 14.679,1033 7.872,1034 11.701,1035 1,1036 14.29,1037 2.792,1038 8.703,1039 10.551,1040 0.515,1041 16.554,1042 8.511,1043 13.075,1044 1,1045 16.03,1046 2.387,1047 9.976,1048 12.256,1049 1.582,1050 18.895,1051 9.751,1052 2.959,1053 1,1054 17.781,1055 2.275,1056 10.818,1057 13.281,1058 0.441,1059 20.936,1060 10.586,1061 2.876,1062 9.244,1063 19.542,1064 2.275,1065 11.974,1066 14.844,1067 1.624,1068 23.192,1069 11.714,1070 2.798,1071 8.969,1072 21.311,1073 3.96,1074 12.919,1075 16,1076 0.373,1077 25.314,1078 12.648,1079 2.658,1080 8.628,1081 23.086,1082 3.87,1083 14.02,1084 17.479,1085 1.682,1086 27.535,1087 13.725,1088 2.392,1089 7.698,1090 24.865,1091 3.759,1092 15.019,1093 18.715,1094 0.314,1095 29.696,1096 14.711,1097 2.32,1098 6.87,1099 26.65,1100 3.263,1101 16.094,1102 20.144,1103 1.752,1104 31.904,1105 15.765,1106 2.123,1107 6.483,1108 28.437,1109 3.117,1110 17.122,1111 21.429,1112 0.264,1113 34.085,1114 16.777,1115 23469,1116 35900,1117 28.027,1118 45.631,1119 61.129,1120 61.824,1121 61.655,1122 60.676,1123 60.636,1124 79.069,1125 6.694,1126 168.484,1127 58.468,1128 5.315,1129 5.573,1130 5.987,1131 5.001,1132 4.959,1133 6.96,1134 2.117,1135 15.558,1136 4.89,1137 14.663,1138 1.491,1139 1.508,1140 1.504,1141 1.48,1142 1.479,1143 1.929,1144 0.163,1145 4.109,1146 1.426,1147 4.028,1148 4.068,1149 3.978,1150 3.932,1151 7.429,1152 3.936,1153 3.942,1154 3.983,1155 3.891,1156 3.852,1157 5.049,1158 3.855,1159 3.893,1160 3.932,1161 3.833,1162 3.814,1163 4.842,1164 3.816,1165 3.794,1166 3.855,1167 3.684,1168 3.604,1169 4.74,1170 3.614,1171 3.667,1172 3.724,1173 3.611,1174 3.505,1175 4.684,1176 3.524,1177 3.412,1178 3.467,1179 3.335,1180 3.214,1181 4.378,1182 3.235,1183 3.242,1184 3.335,1185 3.084,1186 3.036,1187 4.052,1188 3.031,1189 3.111,1190 3.206,1191 2.962,1192 2.941,1193 3.963,1194 2.91,1195 0.105,1196 0.087,1197 0.151,1198 0.096,1199 0.072,1200 4.315,1201 0.097,1202 3.573,1203 0.026,1204 6.185,1205 0.225,1206 3.93,1207 0.07,1208 2.959,1209 3.96,1210 1.058,1211 9.244,1212 2.89,1213 1.957,1214 1.929,1215 2.065,1216 2.075,1217 1.323,1218 2.073,1219 1.918,1220 1.886,1221 2.028,1222 2.05,1223 1.16,1224 2.045,1225 1.877,1226 1.846,1227 1.979,1228 1.995,1229 1.125,1230 1.994,1231 1.752,1232 1.681,1233 1.95,1234 1.936,1235 1.027,1236 1.946,1237 1.608,1238 1.556,1239 1.728,1240 1.794,1241 0.825,1242 1.779,1243 1.344,1244 1.291,1245 1.591,1246 1.588,1247 0.735,1248 1.587,1249 1.223,1250 1.136,1251 1.546,1252 1.48,1253 0.691,1254 1.503,1255 1.153,1256 1.064,1257 1.513,1258 1.376,1259 0.619,1260 1.429,1261 4.419,1263 5.727,1265 7.225,1267 8.801,1269 10.416,1271 4.158,1277 5.237,1278 6.294,1282 4.8,1289 43.186,1290 99.834,1291 239.113,1292 318.954,1293 358.928,1294 374.438,1295 374.438,1296 55.749,1297 8.411,1298 86.28,1299 86.28,1300 30,1301 12.647,1302 4.7,1303 3.807,1304 57.104,1305 209,1306 228,1307 0.128,1308 265.482,1309 456.33,1310 639.535,1311 68589,1313 25.614,1314 0.692,1315 0.573,1316 25.614,1317 21.185,1318 18.03,1319 0.44,1320 0.304,1321 12.293,1322 17.418,1323 11.937,1324 9.945,1325 18.03,1326 12.457,1327 16.198,1328 0.289,1329 0.168,1330 16.198,1331 9.392,1332 13.45,1333 0.189,1334 0.093,1335 13.45,1336 6.573,1337 10.811,1338 0.121,1339 0.048,1340 10.811,1341 4.278,1342 9.213,1343 0.08,1344 0.027,1345 9.213,1346 3.137,1347 0.21,1348 112.246,1349 0.189,1350 34.613,1351 0.329,1352 194,1353 510.627,1354 209.481,1355 506.189,1356 701.38,1357 476,1358 224,1359 521.411,1360 240.37,1361 535.987,1362 775.58,1363 502,1364 5}